| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.4 | Very low | 76 | Confident | 154 Ų | 154 | 78.2 Ų | 78.2 | 76% | 0.759 | 43% | 0.431 | S | S | * | . | 0 | 139 | 0 | -65.4 | 166.7 | -176.6 | 0 | 0 | 107 | N278 | M1-N278 HydrophobicContact CE-CB 3.93Å; M1-N278 HydrophobicContact SD-CB 4.42Å | |||
| 2 | S | 50.6 | Low | 77.1 | Confident | 107 Ų | 107 | 72.8 Ų | 72.8 | 75% | 0.748 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 128.8 | 173.7 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 3 | S | 61.6 | Low | 78.2 | Confident | 19 Ų | 19 | 79.8 Ų | 79.8 | 13% | 0.133 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 140.7 | 164.8 | 51.4 | 0 | 0 | 0 | 0 | 109.7 | F5 | S3-F5 VanDerWaalsContact O-CD2 3.3Å; S3-F5 WeakPolarHBondContact O-CD2 3.33Å; S3-F5 WeakPolarHBondContact O-CE2 3.43Å; S3-F5 WeakPolarHBondContact OG-CE2 3.38Å |
| 4 | K | 80.5 | Confident | 79.3 | Confident | 124 Ų | 124 | 74.3 Ų | 74.3 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 152.5 | 161 | -73.4 | -172.4 | 178 | -178 | 0 | 108.6 | T16 F277 | K4-T16 HydrophobicContact CB-CG2 3.86Å; K4-T16 PolarHBondContact O-N 2.76Å; K4-F277 HydrophobicContact CB-CE1 4.43Å; K4-F277 HydrophobicContact CG-CE1 4.48Å |
| 5 | F | 87.5 | Confident | 80.2 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 43% | 0.425 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.3 | 173 | -70.1 | -101.7 | 0 | 0 | 0 | 108.4 | S3 R13 M14 P15 | S3-F5 VanDerWaalsContact O-CD2 3.3Å; S3-F5 WeakPolarHBondContact O-CD2 3.33Å; S3-F5 WeakPolarHBondContact O-CE2 3.43Å; S3-F5 WeakPolarHBondContact OG-CE2 3.38Å; F5-R13 HydrophobicContact CD1-CB 4.2Å; F5-M14 CarbonylContact C-O 3.58Å; F5-M14 VanDerWaalsContact CA-O 3.27Å; F5-M14 WeakPolarHBondContact CA-O 3.27Å; F5-P15 HydrophobicContact CD1-CG 4.14Å; F5-P15 HydrophobicContact CE1-CB 4.4Å; F5-P15 HydrophobicContact CE1-CG 3.75Å; F5-P15 HydrophobicContact CZ-CG 4.46Å |
| 6 | I | 87.3 | Confident | 81 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 154.4 | 163.5 | -167.1 | 164.9 | 0 | 0 | 0 | 108.7 | R13 M14 T16 I259 | I6-R13 WeakPolarHBondContact O-CA 3.5Å; I6-M14 HydrophobicContact CG2-CB 4.13Å; I6-M14 PolarHBondContact N-O 3.25Å; I6-M14 PolarHBondContact O-N 3.13Å; I6-T16 HydrophobicContact CB-CG2 4.45Å; I6-I259 HydrophobicContact CG2-CD1 3.87Å; I6-I259 HydrophobicContact CG2-CG1 3.86Å |
| 7 | T | 87.4 | Confident | 81.6 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.5 | 174.1 | -55.1 | 0 | 0 | 0 | 0 | 107.7 | ||
| 8 | L | 89 | Confident | 82.3 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | trans | -65.4 | 160.3 | 174.6 | -57.4 | -176.2 | 0 | 0 | 0 | 110 | N10 G11 V12 M14 F75 A157 S198 | L8-N10 PolarHBondContact O-N 3.32Å; L8-G11 PolarHBondContact O-N 3.01Å; L8-V12 WeakPolarHBondContact CB-O 3.19Å; L8-V12 HydrophobicContact CD1-CB 4.49Å; L8-V12 WeakPolarHBondContact CG-O 3.48Å; L8-V12 PolarHBondContact N-O 2.86Å; L8-M14 HydrophobicContact CD1-CB 4.45Å; L8-M14 HydrophobicContact CD1-SD 4.26Å; L8-M14 HydrophobicContact CD2-CB 4.25Å; L8-M14 HydrophobicContact CD2-SD 3.97Å; L8-M14 HydrophobicContact CG-CB 4.21Å; L8-F75 HydrophobicContact CD1-CE2 4.48Å; L8-F75 HydrophobicContact CD1-CZ 4.08Å; L8-A157 HydrophobicContact CD1-CB 3.86Å; L8-S198 WeakPolarHBondContact CD2-OG 3.13Å | ||
| 9 | H | 80.5 | Confident | 82.9 | Confident | 102 Ų | 102 | 55.8 Ų | 55.8 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -37.1 | -174.9 | 179.9 | -147.6 | 0 | 0 | 0 | 114 | G11 D173 | H9-G11 VanDerWaalsContact C-N 3.3Å; H9-G11 PolarHBondContact O-N 2.68Å; H9-D173 IonicContact CE1-OD1 3.72Å; H9-D173 IonicContact CE1-OD2 2.96Å; H9-D173 IonicContact CG-OD1 2.89Å; H9-D173 IonicContact CG-OD2 3.02Å; H9-D173 VanDerWaalsContact ND1-CG 3.31Å; H9-D173 IonicContact ND1-OD1 3.78Å; H9-D173 PolarHBondContact ND1-OD1 3.12Å; H9-D173 IonicContact ND1-OD2 2.71Å; H9-D173 PolarHBondContact ND1-OD2 3.37Å |
| 10 | N | 83.3 | Confident | 83.4 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 40% | 0.401 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 13 | 178.5 | 72.9 | -9.2 | 0 | 0 | 0 | 115.3 | L8 V12 R156 | L8-N10 PolarHBondContact O-N 3.32Å; N10-V12 PolarHBondContact O-N 3.35Å; N10-V12 WeakPolarHBondContact OD1-CG2 3.42Å; N10-V12 PolarHBondContact OD1-N 3.38Å; N10-R156 PolarHBondContact ND2-O 3.41Å |
| 11 | G | 85 | Confident | 83.9 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 85.7 | -3.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L8 H9 R13 | L8-G11 PolarHBondContact O-N 3.01Å; H9-G11 VanDerWaalsContact C-N 3.3Å; H9-G11 PolarHBondContact O-N 2.68Å; G11-R13 PolarHBondContact O-N 3.46Å |
| 12 | V | 89.7 | Confident | 85.9 | Confident | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 25% | 0.245 | C | C | . | . | trans | -71.6 | 128.3 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | L8 N10 F75 R156 | L8-V12 WeakPolarHBondContact CB-O 3.19Å; L8-V12 HydrophobicContact CD1-CB 4.49Å; L8-V12 WeakPolarHBondContact CG-O 3.48Å; L8-V12 PolarHBondContact N-O 2.86Å; N10-V12 PolarHBondContact O-N 3.35Å; N10-V12 WeakPolarHBondContact OD1-CG2 3.42Å; N10-V12 PolarHBondContact OD1-N 3.38Å; V12-F75 HydrophobicContact CG1-CE2 3.85Å; V12-R156 HydrophobicContact CG2-CB 4.2Å | ||
| 13 | R | 90.6 | Very high | 87.2 | Confident | 164 Ų | 164 | 45.1 Ų | 45.1 | 62% | 0.619 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.9 | 177.8 | -59.3 | -169.1 | -55.1 | 167.8 | 4.6 | 111.4 | F5 I6 G11 F75 | F5-R13 HydrophobicContact CD1-CB 4.2Å; I6-R13 WeakPolarHBondContact O-CA 3.5Å; G11-R13 PolarHBondContact O-N 3.46Å; R13-F75 WeakPolarHBondContact O-CD2 3.31Å |
| 14 | M | 93.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.8 | -179.5 | -173.5 | 171.3 | -179.3 | 0 | 0 | 109.9 | F5 I6 L8 H43 F75 L108 I259 | F5-M14 CarbonylContact C-O 3.58Å; F5-M14 VanDerWaalsContact CA-O 3.27Å; F5-M14 WeakPolarHBondContact CA-O 3.27Å; I6-M14 HydrophobicContact CG2-CB 4.13Å; I6-M14 PolarHBondContact N-O 3.25Å; I6-M14 PolarHBondContact O-N 3.13Å; L8-M14 HydrophobicContact CD1-CB 4.45Å; L8-M14 HydrophobicContact CD1-SD 4.26Å; L8-M14 HydrophobicContact CD2-CB 4.25Å; L8-M14 HydrophobicContact CD2-SD 3.97Å; L8-M14 HydrophobicContact CG-CB 4.21Å; M14-H43 WeakPolarHBondContact CE-CE1 3.48Å; M14-F75 HydrophobicContact CB-CD2 4.16Å; M14-F75 HydrophobicContact CB-CE2 3.6Å; M14-F75 HydrophobicContact CB-CZ 3.82Å; M14-F75 HydrophobicContact CE-CD1 4.49Å; M14-F75 HydrophobicContact CE-CE1 3.85Å; M14-F75 HydrophobicContact CE-CZ 4.31Å; M14-F75 HydrophobicContact CG-CD1 4.19Å; M14-F75 HydrophobicContact CG-CD2 4.18Å; M14-F75 HydrophobicContact CG-CE1 3.78Å; M14-F75 HydrophobicContact CG-CE2 3.76Å; M14-F75 HydrophobicContact CG-CG 4.38Å; M14-F75 HydrophobicContact CG-CZ 3.55Å; M14-F75 HydrophobicContact SD-CE1 3.82Å; M14-F75 HydrophobicContact SD-CE2 4.41Å; M14-F75 HydrophobicContact SD-CZ 3.65Å; M14-L108 HydrophobicContact CE-CD2 3.88Å; M14-L108 HydrophobicContact SD-CD2 4.03Å; M14-I259 HydrophobicContact CE-CD1 4.14Å; M14-I259 HydrophobicContact CE-CG2 4.26Å; M14-I259 HydrophobicContact CG-CD1 4.49Å; M14-I259 HydrophobicContact SD-CD1 3.73Å |
| 15 | P | 93.2 | Very high | 88.5 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 140.7 | 171.5 | -21.9 | 32.8 | 0 | 0 | 0 | 111.3 | F5 M17 R42 H43 F75 | F5-P15 HydrophobicContact CD1-CG 4.14Å; F5-P15 HydrophobicContact CE1-CB 4.4Å; F5-P15 HydrophobicContact CE1-CG 3.75Å; F5-P15 HydrophobicContact CZ-CG 4.46Å; P15-M17 PolarHBondContact O-N 3.1Å; P15-R42 HydrophobicContact CG-CB 4.36Å; P15-H43 HydrophobicContact CB-CB 4.04Å; P15-H43 HydrophobicContact CG-CB 3.88Å; P15-F75 HydrophobicContact CG-CB 4.46Å |
| 16 | T | 92.8 | Very high | 88.6 | Confident | 15 Ų | 15 | 43 Ų | 43 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -75.4 | 0.2 | 178 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | K4 I6 V260 | K4-T16 HydrophobicContact CB-CG2 3.86Å; K4-T16 PolarHBondContact O-N 2.76Å; I6-T16 HydrophobicContact CB-CG2 4.45Å; T16-V260 PolarHBondContact O-N 3.2Å |
| 17 | M | 92.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -138.1 | 104.7 | -173 | -174.6 | 79.6 | -169.6 | 0 | 0 | 109.4 | P15 Y41 L250 V260 P262 N273 F274 V276 F277 | P15-M17 PolarHBondContact O-N 3.1Å; M17-Y41 HydrophobicContact CE-CE1 3.91Å; M17-Y41 VanDerWaalsContact CE-OH 3.25Å; M17-Y41 WeakPolarHBondContact CE-OH 3.21Å; M17-Y41 HydrophobicContact CG-CD1 4.38Å; M17-Y41 HydrophobicContact CG-CE1 3.84Å; M17-L250 HydrophobicContact CE-CD1 4.38Å; M17-V260 HydrophobicContact SD-CG2 3.54Å; M17-V260 VanDerWaalsContact SD-CG2 3.54Å; M17-P262 HydrophobicContact CE-CG 3.5Å; M17-N273 HydrophobicContact CE-CB 4.04Å; M17-N273 WeakPolarHBondContact CE-O 3.33Å; M17-F274 HydrophobicContact CG-CD2 4.15Å; M17-F274 HydrophobicContact CG-CE2 4.45Å; M17-V276 HydrophobicContact SD-CG2 4.17Å; M17-F277 HydrophobicContact CB-CE2 4.12Å; M17-F277 HydrophobicContact CB-CZ 3.84Å; M17-F277 HydrophobicContact CG-CE2 4.28Å; M17-F277 HydrophobicContact CG-CZ 4.43Å |
| 18 | G | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -108.6 | 162.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y41 H43 V260 P262 | G18-Y41 WeakPolarHBondContact O-CE1 3.34Å; G18-H43 VanDerWaalsContact CA-ND1 3.3Å; G18-H43 WeakPolarHBondContact CA-ND1 3.46Å; G18-H43 WeakPolarHBondContact CA-O 3.41Å; G18-V260 PolarHBondContact N-O 2.89Å; G18-P262 WeakPolarHBondContact O-CD 3.34Å | ||
| 19 | Y | 94.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 110.7 | 174.1 | 176.3 | -96.3 | 0 | 0 | 0 | 109.4 | T21 G32 V33 A36 H43 D45 S264 I270 | Y19-T21 HydrophobicContact CD1-CG2 4.13Å; Y19-T21 HydrophobicContact CE1-CG2 3.99Å; Y19-G32 WeakPolarHBondContact OH-CA 3.21Å; Y19-V33 HydrophobicContact CD1-CG2 4.46Å; Y19-V33 HydrophobicContact CE1-CG2 3.78Å; Y19-A36 HydrophobicContact CD1-CB 4.23Å; Y19-A36 HydrophobicContact CD2-CB 3.65Å; Y19-A36 HydrophobicContact CE2-CB 4.08Å; Y19-A36 HydrophobicContact CG-CB 3.73Å; Y19-H43 PolarHBondContact N-O 3.39Å; Y19-D45 PolarHBondContact O-N 3.45Å; Y19-S264 VanDerWaalsContact CE2-O 3.29Å; Y19-S264 WeakPolarHBondContact CE2-O 3.44Å; Y19-S264 PolarHBondContact OH-O 3.46Å; Y19-S264 VanDerWaalsContact OH-O 3.13Å; Y19-I270 HydrophobicContact CE2-CD1 3.92Å; Y19-I270 HydrophobicContact CE2-CG1 4.06Å |
| 20 | G | 92.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P262 K263 | G20-P262 PolarHBondContact N-O 3.46Å; G20-K263 VanDerWaalsContact O-CB 3.26Å; G20-K263 WeakPolarHBondContact O-CB 3.31Å; G20-K263 WeakPolarHBondContact O-CG 3.27Å |
| 21 | T | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -107 | 2.2 | -177.2 | 69.2 | 0 | 0 | 0 | 0 | 115.2 | Y19 L23 A24 L29 I44 D45 T46 N52 I56 | Y19-T21 HydrophobicContact CD1-CG2 4.13Å; Y19-T21 HydrophobicContact CE1-CG2 3.99Å; T21-L23 PolarHBondContact O-N 2.66Å; T21-A24 WeakPolarHBondContact O-CB 3.29Å; T21-A24 PolarHBondContact O-N 3.27Å; T21-L29 HydrophobicContact CG2-CD1 3.88Å; T21-I44 HydrophobicContact CG2-CG2 4.02Å; T21-D45 PolarHBondContact N-O 2.85Å; T21-D45 PolarHBondContact OG1-O 2.8Å; T21-T46 WeakPolarHBondContact OG1-CB 3.39Å; T21-T46 PolarHBondContact OG1-OG1 2.75Å; T21-T46 VanDerWaalsContact OG1-OG1 3.08Å; T21-N52 PolarHBondContact O-ND2 3.36Å; T21-N52 VanDerWaalsContact O-ND2 3.13Å; T21-N52 PolarHBondContact OG1-ND2 2.99Å; T21-I56 HydrophobicContact CG2-CD1 3.72Å; T21-I56 HydrophobicContact CG2-CG1 4.4Å | ||
| 22 | W | 86.6 | Confident | 90.3 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 29% | 0.288 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 130.6 | -177.7 | 179.6 | 63.7 | 0 | 0 | 0 | 113 | A24 Y50 R210 K263 | W22-A24 PolarHBondContact O-N 3.42Å; W22-Y50 HydrophobicContact CB-CD2 4.33Å; W22-Y50 HydrophobicContact CB-CE1 4.28Å; W22-Y50 HydrophobicContact CB-CE2 4Å; W22-Y50 AromaticContact CD1-CD1 3.67Å; W22-Y50 AromaticContact CD1-CE1 3.52Å; W22-Y50 HydrophobicContact CG-CE1 4.2Å; W22-R210 HydrophobicContact CH2-CB 3.98Å; W22-R210 HydrophobicContact CH2-CG 4.06Å; W22-K263 VanDerWaalsContact O-CD 3.3Å; W22-K263 WeakPolarHBondContact O-CD 3.41Å; W22-K263 WeakPolarHBondContact O-CE 3.37Å; W22-K263 PolarHBondContact O-NZ 3.2Å |
| 23 | L | 77.9 | Confident | 90.6 | Very high | 68 Ų | 68 | 39.7 Ų | 39.7 | 36% | 0.356 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.2 | -171.5 | -47 | -176.9 | 0 | 0 | 0 | 113.9 | T21 N213 K263 | T21-L23 PolarHBondContact O-N 2.66Å; L23-N213 WeakPolarHBondContact CD2-ND2 3.4Å; L23-K263 PolarHBondContact O-NZ 3.03Å |
| 24 | A | 83.8 | Confident | 90.8 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | trans | -117.3 | 131.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | T21 W22 L29 N52 T265 | T21-A24 WeakPolarHBondContact O-CB 3.29Å; T21-A24 PolarHBondContact O-N 3.27Å; W22-A24 PolarHBondContact O-N 3.42Å; A24-L29 HydrophobicContact CB-CB 4.05Å; A24-L29 HydrophobicContact CB-CD1 3.83Å; A24-L29 HydrophobicContact CB-CG 4.48Å; A24-N52 PolarHBondContact O-ND2 3.37Å; A24-T265 HydrophobicContact CB-CG2 3.69Å | ||
| 25 | E | 85.5 | Confident | 90.9 | Very high | 157 Ų | 157 | 38 Ų | 38 | 73% | 0.734 | 20% | 0.201 | S | C | * | . | trans | -143.5 | 168.1 | -175.8 | 62.2 | -172.8 | 176 | 0 | 0 | 109.8 | P28 L29 | E25-P28 WeakPolarHBondContact O-CD 3.44Å; E25-L29 PolarHBondContact O-N 3.49Å | ||
| 26 | G | 88.5 | Confident | 91 | Very high | 32 Ų | 32 | 38 Ų | 38 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | 54.9 | -150.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | L29 R30 | G26-L29 WeakPolarHBondContact O-CB 3.48Å; G26-L29 PolarHBondContact O-N 3.2Å; G26-R30 PolarHBondContact O-N 2.86Å |
| 27 | E | 87.1 | Confident | 91 | Very high | 119 Ų | 119 | 37.3 Ų | 37.3 | 56% | 0.556 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -64.2 | -32.9 | 179.3 | -68.7 | -54.8 | 117.9 | 0 | 0 | 115.1 | L29 R30 A31 | E27-L29 VanDerWaalsContact C-N 3.28Å; E27-L29 PolarHBondContact O-N 3.05Å; E27-R30 PolarHBondContact O-N 3.28Å; E27-R30 VanDerWaalsContact O-N 3.14Å; E27-R30 WeakPolarHBondContact OE1-CD 3.46Å; E27-R30 IonicContact OE1-CZ 2.66Å; E27-R30 IonicContact OE1-NE 3.63Å; E27-R30 PolarHBondContact OE1-NE 3.47Å; E27-R30 IonicContact OE1-NH2 3.15Å; E27-R30 WeakPolarHBondContact OE2-CD 3.38Å; E27-R30 IonicContact OE2-NE 3.98Å; E27-A31 WeakPolarHBondContact O-CB 3.24Å; E27-A31 PolarHBondContact O-N 2.88Å |
| 28 | P | 88.8 | Confident | 90.9 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.8 | -38.4 | 170 | -28.3 | 36.6 | 0 | 0 | 0 | 113.4 | E25 G32 T265 | E25-P28 WeakPolarHBondContact O-CD 3.44Å; P28-G32 PolarHBondContact O-N 3.3Å; P28-T265 HydrophobicContact CB-CG2 3.98Å; P28-T265 WeakPolarHBondContact O-CG2 3.48Å |
| 29 | L | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -48.9 | 170 | 175.4 | 66.6 | 0 | 0 | 0 | 111.4 | T21 A24 E25 G26 E27 A31 G32 V33 N52 I55 I56 | T21-L29 HydrophobicContact CG2-CD1 3.88Å; A24-L29 HydrophobicContact CB-CB 4.05Å; A24-L29 HydrophobicContact CB-CD1 3.83Å; A24-L29 HydrophobicContact CB-CG 4.48Å; E25-L29 PolarHBondContact O-N 3.49Å; G26-L29 WeakPolarHBondContact O-CB 3.48Å; G26-L29 PolarHBondContact O-N 3.2Å; E27-L29 VanDerWaalsContact C-N 3.28Å; E27-L29 PolarHBondContact O-N 3.05Å; L29-A31 VanDerWaalsContact C-N 3.29Å; L29-A31 PolarHBondContact O-N 3.32Å; L29-G32 PolarHBondContact O-N 3.16Å; L29-G32 VanDerWaalsContact O-N 3.08Å; L29-V33 HydrophobicContact CD1-CG2 3.6Å; L29-V33 HydrophobicContact CG-CG2 4.11Å; L29-V33 WeakPolarHBondContact O-CG2 3.21Å; L29-V33 PolarHBondContact O-N 3.11Å; L29-N52 HydrophobicContact CD2-CB 3.56Å; L29-I55 HydrophobicContact CB-CG2 4.47Å; L29-I55 HydrophobicContact CD2-CB 4Å; L29-I55 HydrophobicContact CD2-CD1 4.44Å; L29-I55 HydrophobicContact CD2-CG2 3.91Å; L29-I55 HydrophobicContact CG-CG2 4.11Å; L29-I56 HydrophobicContact CD2-CG1 4.22Å |
| 30 | R | 94.3 | Very high | 90.6 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 19% | 0.185 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | -176.8 | -160.2 | -175.4 | -65.2 | -86 | 7.1 | 111.9 | G26 E27 K34 I55 D58 V59 | G26-R30 PolarHBondContact O-N 2.86Å; E27-R30 PolarHBondContact O-N 3.28Å; E27-R30 VanDerWaalsContact O-N 3.14Å; E27-R30 WeakPolarHBondContact OE1-CD 3.46Å; E27-R30 IonicContact OE1-CZ 2.66Å; E27-R30 IonicContact OE1-NE 3.63Å; E27-R30 PolarHBondContact OE1-NE 3.47Å; E27-R30 IonicContact OE1-NH2 3.15Å; E27-R30 WeakPolarHBondContact OE2-CD 3.38Å; E27-R30 IonicContact OE2-NE 3.98Å; R30-K34 WeakPolarHBondContact O-CG 3.23Å; R30-K34 PolarHBondContact O-N 2.83Å; R30-I55 HydrophobicContact CB-CG2 3.89Å; R30-I55 HydrophobicContact CG-CG2 4.21Å; R30-D58 IonicContact CZ-OD2 2.65Å; R30-D58 IonicContact NH1-OD2 3.53Å; R30-D58 PolarHBondContact NH1-OD2 3.49Å; R30-D58 IonicContact NH2-OD2 2.67Å; R30-D58 PolarHBondContact NH2-OD2 3.41Å; R30-V59 HydrophobicContact CB-CG2 4.44Å; R30-V59 HydrophobicContact CG-CG2 3.49Å; R30-V59 VanDerWaalsContact CG-CG2 3.49Å |
| 31 | A | 91 | Very high | 90.7 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 49% | 0.488 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E27 L29 K34 K35 | E27-A31 WeakPolarHBondContact O-CB 3.24Å; E27-A31 PolarHBondContact O-N 2.88Å; L29-A31 VanDerWaalsContact C-N 3.29Å; L29-A31 PolarHBondContact O-N 3.32Å; A31-K34 PolarHBondContact O-N 2.89Å; A31-K35 WeakPolarHBondContact O-CB 3.33Å; A31-K35 PolarHBondContact O-N 3.08Å |
| 32 | G | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y19 P28 L29 K35 A36 | Y19-G32 WeakPolarHBondContact OH-CA 3.21Å; P28-G32 PolarHBondContact O-N 3.3Å; L29-G32 PolarHBondContact O-N 3.16Å; L29-G32 VanDerWaalsContact O-N 3.08Å; G32-K35 PolarHBondContact O-N 3.06Å; G32-A36 WeakPolarHBondContact O-CB 3.5Å; G32-A36 PolarHBondContact O-N 3.08Å |
| 33 | V | 95.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | 177 | 179.1 | 0 | 0 | 0 | 0 | 111 | Y19 L29 K35 A36 L37 I44 I56 V59 | Y19-V33 HydrophobicContact CD1-CG2 4.46Å; Y19-V33 HydrophobicContact CE1-CG2 3.78Å; L29-V33 HydrophobicContact CD1-CG2 3.6Å; L29-V33 HydrophobicContact CG-CG2 4.11Å; L29-V33 WeakPolarHBondContact O-CG2 3.21Å; L29-V33 PolarHBondContact O-N 3.11Å; V33-K35 VanDerWaalsContact C-N 3.31Å; V33-K35 PolarHBondContact O-N 3.32Å; V33-A36 PolarHBondContact O-N 2.66Å; V33-L37 HydrophobicContact CG1-CD1 4.15Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 2.89Å; V33-I44 HydrophobicContact CG1-CD1 3.93Å; V33-I56 HydrophobicContact CG2-CG1 4.33Å; V33-V59 HydrophobicContact CB-CG1 4.17Å; V33-V59 HydrophobicContact CG1-CB 4.14Å; V33-V59 HydrophobicContact CG1-CG1 3.65Å |
| 34 | K | 93.8 | Very high | 92 | Very high | 71 Ų | 71 | 42 Ų | 42 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 174 | -76.1 | -175.9 | 177.5 | -171.9 | 0 | 111.2 | R30 A31 A36 L37 E38 V59 | R30-K34 WeakPolarHBondContact O-CG 3.23Å; R30-K34 PolarHBondContact O-N 2.83Å; A31-K34 PolarHBondContact O-N 2.89Å; K34-A36 PolarHBondContact O-N 3.46Å; K34-L37 PolarHBondContact O-N 3.32Å; K34-E38 WeakPolarHBondContact O-CG 3.36Å; K34-E38 PolarHBondContact O-N 3.27Å; K34-V59 HydrophobicContact CG-CG1 3.54Å; K34-V59 HydrophobicContact CG-CG2 4.24Å |
| 35 | K | 95.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 179.4 | -162.3 | 72.1 | -155 | 165 | 0 | 113 | A31 G32 V33 E38 V39 A267 I270 | A31-K35 WeakPolarHBondContact O-CB 3.33Å; A31-K35 PolarHBondContact O-N 3.08Å; G32-K35 PolarHBondContact O-N 3.06Å; V33-K35 VanDerWaalsContact C-N 3.31Å; V33-K35 PolarHBondContact O-N 3.32Å; K35-E38 WeakPolarHBondContact CD-OE2 3.4Å; K35-E38 WeakPolarHBondContact CE-OE2 3.24Å; K35-E38 IonicContact NZ-OE2 3.85Å; K35-E38 PolarHBondContact NZ-OE2 3.39Å; K35-E38 PolarHBondContact O-N 3.08Å; K35-V39 HydrophobicContact CG-CG2 4.31Å; K35-V39 WeakPolarHBondContact O-CB 3.32Å; K35-V39 WeakPolarHBondContact O-CG2 3.41Å; K35-V39 PolarHBondContact O-N 3.5Å; K35-A267 HydrophobicContact CD-CB 4.32Å; K35-A267 HydrophobicContact CG-CB 3.99Å; K35-I270 HydrophobicContact CB-CD1 4.26Å |
| 36 | A | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y19 G32 V33 K34 V39 G40 Y41 I270 | Y19-A36 HydrophobicContact CD1-CB 4.23Å; Y19-A36 HydrophobicContact CD2-CB 3.65Å; Y19-A36 HydrophobicContact CE2-CB 4.08Å; Y19-A36 HydrophobicContact CG-CB 3.73Å; G32-A36 WeakPolarHBondContact O-CB 3.5Å; G32-A36 PolarHBondContact O-N 3.08Å; V33-A36 PolarHBondContact O-N 2.66Å; K34-A36 PolarHBondContact O-N 3.46Å; A36-V39 PolarHBondContact O-N 2.91Å; A36-G40 PolarHBondContact O-N 3.27Å; A36-G40 VanDerWaalsContact O-N 3.1Å; A36-Y41 HydrophobicContact CB-CD2 3.82Å; A36-Y41 HydrophobicContact CB-CG 4.07Å; A36-Y41 WeakPolarHBondContact O-CB 3.2Å; A36-Y41 PolarHBondContact O-N 3.24Å; A36-I270 HydrophobicContact CB-CG2 4.2Å |
| 37 | L | 93.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.9 | -69 | 169.8 | 0 | 0 | 0 | 112.6 | V33 K34 R42 I44 V59 L60 W63 I74 | V33-L37 HydrophobicContact CG1-CD1 4.15Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 2.89Å; K34-L37 PolarHBondContact O-N 3.32Å; L37-R42 PolarHBondContact O-NH1 2.57Å; L37-I44 HydrophobicContact CD2-CD1 4.4Å; L37-V59 HydrophobicContact CD1-CG1 4.03Å; L37-L60 HydrophobicContact CD1-CD2 4.3Å; L37-W63 HydrophobicContact CB-CD2 4.09Å; L37-W63 HydrophobicContact CB-CE3 3.91Å; L37-W63 HydrophobicContact CB-CH2 3.73Å; L37-W63 HydrophobicContact CB-CZ2 3.89Å; L37-W63 HydrophobicContact CB-CZ3 3.73Å; L37-W63 HydrophobicContact CD1-CB 4.46Å; L37-W63 HydrophobicContact CD1-CD2 3.91Å; L37-W63 HydrophobicContact CD1-CE3 3.94Å; L37-W63 HydrophobicContact CD1-CG 4.14Å; L37-I74 HydrophobicContact CD2-CD1 3.9Å |
| 38 | E | 91.5 | Very high | 93.5 | Very high | 114 Ų | 114 | 29.5 Ų | 29.5 | 53% | 0.533 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 172.5 | -74.4 | 172.4 | -145 | 0 | 0 | 113 | K34 K35 G40 W63 | K34-E38 WeakPolarHBondContact O-CG 3.36Å; K34-E38 PolarHBondContact O-N 3.27Å; K35-E38 WeakPolarHBondContact CD-OE2 3.4Å; K35-E38 WeakPolarHBondContact CE-OE2 3.24Å; K35-E38 IonicContact NZ-OE2 3.85Å; K35-E38 PolarHBondContact NZ-OE2 3.39Å; K35-E38 PolarHBondContact O-N 3.08Å; E38-G40 VanDerWaalsContact C-N 3.31Å; E38-G40 PolarHBondContact O-N 3.04Å; E38-W63 HydrophobicContact CG-CH2 4.14Å; E38-W63 HydrophobicContact CG-CZ3 4.21Å |
| 39 | V | 90.7 | Very high | 93.3 | Very high | 38 Ų | 38 | 31.3 Ų | 31.3 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.2 | -28.4 | -175.7 | 165.7 | 0 | 0 | 0 | 0 | 112.3 | K35 A36 Y41 I271 F274 | K35-V39 HydrophobicContact CG-CG2 4.31Å; K35-V39 WeakPolarHBondContact O-CB 3.32Å; K35-V39 WeakPolarHBondContact O-CG2 3.41Å; K35-V39 PolarHBondContact O-N 3.5Å; A36-V39 PolarHBondContact O-N 2.91Å; V39-Y41 HydrophobicContact CG1-CD2 4.43Å; V39-Y41 HydrophobicContact CG1-CE2 4.43Å; V39-I271 HydrophobicContact CG2-CG1 3.56Å; V39-F274 HydrophobicContact CG1-CB 3.68Å; V39-F274 HydrophobicContact CG1-CD1 3.62Å; V39-F274 HydrophobicContact CG1-CE1 4.4Å; V39-F274 HydrophobicContact CG1-CG 3.73Å; V39-F274 WeakPolarHBondContact O-CE1 3.49Å |
| 40 | G | 89.8 | Confident | 93.1 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 22% | 0.216 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 125.5 | 7.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A36 E38 R42 F274 | A36-G40 PolarHBondContact O-N 3.27Å; A36-G40 VanDerWaalsContact O-N 3.1Å; E38-G40 VanDerWaalsContact C-N 3.31Å; E38-G40 PolarHBondContact O-N 3.04Å; G40-R42 PolarHBondContact O-N 2.99Å; G40-F274 VanDerWaalsContact O-CZ 3.32Å; G40-F274 WeakPolarHBondContact O-CZ 3.4Å |
| 41 | Y | 94.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | trans | -61.1 | 132.2 | 169.8 | -74.9 | -96.1 | 0 | 0 | 0 | 109.7 | M17 G18 A36 V39 I270 F274 | M17-Y41 HydrophobicContact CE-CE1 3.91Å; M17-Y41 VanDerWaalsContact CE-OH 3.25Å; M17-Y41 WeakPolarHBondContact CE-OH 3.21Å; M17-Y41 HydrophobicContact CG-CD1 4.38Å; M17-Y41 HydrophobicContact CG-CE1 3.84Å; G18-Y41 WeakPolarHBondContact O-CE1 3.34Å; A36-Y41 HydrophobicContact CB-CD2 3.82Å; A36-Y41 HydrophobicContact CB-CG 4.07Å; A36-Y41 WeakPolarHBondContact O-CB 3.2Å; A36-Y41 PolarHBondContact O-N 3.24Å; V39-Y41 HydrophobicContact CG1-CD2 4.43Å; V39-Y41 HydrophobicContact CG1-CE2 4.43Å; Y41-I270 HydrophobicContact CD2-CG2 4.34Å; Y41-I270 HydrophobicContact CE2-CG2 3.83Å; Y41-F274 HydrophobicContact CD1-CD2 4.21Å; Y41-F274 HydrophobicContact CD1-CE2 4.46Å; Y41-F274 AromaticContact CD2-CD2 3.73Å; Y41-F274 HydrophobicContact CD2-CD2 3.73Å; Y41-F274 HydrophobicContact CD2-CE2 4.24Å; Y41-F274 HydrophobicContact CD2-CG 4.31Å; Y41-F274 HydrophobicContact CE1-CD2 4.12Å; Y41-F274 HydrophobicContact CE2-CB 3.8Å; Y41-F274 AromaticContact CE2-CD2 3.62Å; Y41-F274 HydrophobicContact CE2-CD2 3.62Å; Y41-F274 HydrophobicContact CE2-CG 4.01Å; Y41-F274 HydrophobicContact CG-CD2 4.04Å; Y41-F274 HydrophobicContact CG-CE2 4.21Å; Y41-F274 AromaticContact CZ-CD2 3.84Å | ||
| 42 | R | 93.6 | Very high | 92.9 | Very high | 72 Ų | 72 | 34.5 Ų | 34.5 | 27% | 0.272 | 17% | 0.165 | S | C | . | . | trans | -125.4 | 12 | 176.1 | -64 | -66 | 176.2 | -93.4 | 8 | 112.4 | P15 L37 G40 F75 | P15-R42 HydrophobicContact CG-CB 4.36Å; L37-R42 PolarHBondContact O-NH1 2.57Å; G40-R42 PolarHBondContact O-N 2.99Å; R42-F75 WeakPolarHBondContact O-CB 3.39Å; R42-F75 PolarHBondContact O-N 3.39Å | ||
| 43 | H | 95.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.2 | 168.5 | 170.5 | -147.6 | 0 | 0 | 0 | 109 | M14 P15 G18 Y19 F75 T77 | M14-H43 WeakPolarHBondContact CE-CE1 3.48Å; P15-H43 HydrophobicContact CB-CB 4.04Å; P15-H43 HydrophobicContact CG-CB 3.88Å; G18-H43 VanDerWaalsContact CA-ND1 3.3Å; G18-H43 WeakPolarHBondContact CA-ND1 3.46Å; G18-H43 WeakPolarHBondContact CA-O 3.41Å; Y19-H43 PolarHBondContact N-O 3.39Å; H43-F75 VanDerWaalsContact CA-O 3.3Å; H43-F75 WeakPolarHBondContact CA-O 3.49Å; H43-F75 HydrophobicContact CB-CB 4.26Å; H43-F75 AromaticContact CD2-CD1 3.56Å; H43-T77 PolarHBondContact NE2-OG1 2.85Å |
| 44 | I | 96.5 | Very high | 93 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.9 | 171.7 | -58.8 | 171.8 | 0 | 0 | 0 | 107.7 | T21 V33 L37 I56 L60 I74 F75 I76 T77 | T21-I44 HydrophobicContact CG2-CG2 4.02Å; V33-I44 HydrophobicContact CG1-CD1 3.93Å; L37-I44 HydrophobicContact CD2-CD1 4.4Å; I44-I56 HydrophobicContact CG2-CG2 4.3Å; I44-L60 HydrophobicContact CD1-CD2 4.02Å; I44-I74 HydrophobicContact CD1-CG2 4.47Å; I44-F75 PolarHBondContact N-O 2.87Å; I44-I76 HydrophobicContact CB-CD1 4.03Å; I44-I76 HydrophobicContact CD1-CD1 4.15Å; I44-I76 HydrophobicContact CG1-CD1 4.43Å; I44-T77 PolarHBondContact O-N 2.99Å |
| 45 | D | 96.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.2 | 173.8 | 176.5 | -95.7 | 0 | 0 | 0 | 110.8 | Y19 T21 T77 K79 I261 | Y19-D45 PolarHBondContact O-N 3.45Å; T21-D45 PolarHBondContact N-O 2.85Å; T21-D45 PolarHBondContact OG1-O 2.8Å; D45-T77 WeakPolarHBondContact OD2-CG2 3.38Å; D45-K79 IonicContact OD1-NZ 3.52Å; D45-K79 PolarHBondContact OD1-NZ 2.7Å; D45-K79 WeakPolarHBondContact OD2-CE 3.33Å; D45-K79 IonicContact OD2-NZ 2.79Å; D45-K79 PolarHBondContact OD2-NZ 3.39Å; D45-I261 HydrophobicContact CB-CD1 3.94Å; D45-I261 HydrophobicContact CB-CG2 4.32Å; D45-I261 WeakPolarHBondContact OD1-CD1 3.08Å |
| 46 | T | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -138.1 | -172.3 | 175.2 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | T21 Y50 N52 E53 I56 T77 T78 K79 L101 | T21-T46 WeakPolarHBondContact OG1-CB 3.39Å; T21-T46 PolarHBondContact OG1-OG1 2.75Å; T21-T46 VanDerWaalsContact OG1-OG1 3.08Å; T46-Y50 VanDerWaalsContact C-CE2 3.49Å; T46-N52 PolarHBondContact OG1-OD1 2.94Å; T46-E53 HydrophobicContact CG2-CG 3.99Å; T46-E53 WeakPolarHBondContact CG2-OE1 3.35Å; T46-I56 HydrophobicContact CG2-CD1 3.99Å; T46-I56 WeakPolarHBondContact OG1-CD1 3.35Å; T46-T77 WeakPolarHBondContact CG2-O 3.48Å; T46-T77 PolarHBondContact N-O 3.27Å; T46-T78 WeakPolarHBondContact O-CA 3.25Å; T46-K79 PolarHBondContact O-NZ 2.77Å; T46-L101 HydrophobicContact CG2-CD2 4.27Å | ||
| 47 | A | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -159.8 | 153.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | L49 Y50 T78 K79 | A47-L49 PolarHBondContact O-N 3.19Å; A47-L49 VanDerWaalsContact O-N 3.11Å; A47-Y50 HydrophobicContact CB-CD1 3.9Å; A47-Y50 HydrophobicContact CB-CD2 3.93Å; A47-Y50 HydrophobicContact CB-CE1 3.73Å; A47-Y50 HydrophobicContact CB-CE2 3.77Å; A47-Y50 HydrophobicContact CB-CG 3.97Å; A47-Y50 VanDerWaalsContact N-CD2 3.27Å; A47-Y50 WeakPolarHBondContact O-CB 3.4Å; A47-Y50 PolarHBondContact O-N 2.97Å; A47-T78 WeakPolarHBondContact CA-OG1 3.33Å; A47-K79 HydrophobicContact CB-CB 3.8Å; A47-K79 HydrophobicContact CB-CD 4.1Å; A47-K79 HydrophobicContact CB-CG 3.82Å | ||
| 48 | Y | 88.9 | Confident | 93.3 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 16% | 0.161 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -47.2 | -41.4 | 169.6 | -177.3 | -79.4 | 0 | 0 | 0 | 112.7 | Y50 Q51 E53 Y84 E96 M100 | Y48-Y50 PolarHBondContact O-N 2.79Å; Y48-Q51 PolarHBondContact O-N 3.17Å; Y48-Q51 PolarHBondContact O-NE2 3.47Å; Y48-E53 WeakPolarHBondContact CA-OE2 3.4Å; Y48-Y84 HydrophobicContact CE2-CE2 4.29Å; Y48-E96 HydrophobicContact CE2-CB 3.87Å; Y48-E96 WeakPolarHBondContact CE2-OE2 3.4Å; Y48-E96 PolarHBondContact OH-OE2 3.38Å; Y48-M100 HydrophobicContact CD2-CE 3.88Å; Y48-M100 HydrophobicContact CE2-CE 4.05Å |
| 49 | L | 86.2 | Confident | 93.5 | Very high | 114 Ų | 114 | 28.9 Ų | 28.9 | 60% | 0.597 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -65.4 | -21.2 | -179.9 | -175.6 | 61.7 | 0 | 0 | 0 | 113.7 | A47 Q51 | A47-L49 PolarHBondContact O-N 3.19Å; A47-L49 VanDerWaalsContact O-N 3.11Å; L49-Q51 VanDerWaalsContact C-N 3.29Å |
| 50 | Y | 89.5 | Confident | 93.8 | Very high | 46 Ų | 46 | 27.1 Ų | 27.1 | 18% | 0.18 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -81 | -10.8 | -178.6 | -54.1 | -12.6 | 0 | 0 | 0 | 112.6 | W22 T46 A47 Y48 N52 K79 H112 | W22-Y50 HydrophobicContact CB-CD2 4.33Å; W22-Y50 HydrophobicContact CB-CE1 4.28Å; W22-Y50 HydrophobicContact CB-CE2 4Å; W22-Y50 AromaticContact CD1-CD1 3.67Å; W22-Y50 AromaticContact CD1-CE1 3.52Å; W22-Y50 HydrophobicContact CG-CE1 4.2Å; T46-Y50 VanDerWaalsContact C-CE2 3.49Å; A47-Y50 HydrophobicContact CB-CD1 3.9Å; A47-Y50 HydrophobicContact CB-CD2 3.93Å; A47-Y50 HydrophobicContact CB-CE1 3.73Å; A47-Y50 HydrophobicContact CB-CE2 3.77Å; A47-Y50 HydrophobicContact CB-CG 3.97Å; A47-Y50 VanDerWaalsContact N-CD2 3.27Å; A47-Y50 WeakPolarHBondContact O-CB 3.4Å; A47-Y50 PolarHBondContact O-N 2.97Å; Y48-Y50 PolarHBondContact O-N 2.79Å; Y50-N52 PolarHBondContact O-N 2.93Å; Y50-N52 VanDerWaalsContact O-N 3.12Å; Y50-K79 PolarHBondContact OH-NZ 3.05Å; Y50-H112 AromaticContact CE1-CE1 3.59Å; Y50-H112 AromaticContact CE1-NE2 3.81Å |
| 51 | Q | 87.6 | Confident | 93.9 | Very high | 128 Ų | 128 | 31.1 Ų | 31.1 | 60% | 0.598 | 15% | 0.145 | S | C | * | . | S | Bend | trans | 51.2 | 36.9 | 173.3 | -62.4 | -72.2 | -81.1 | 0 | 0 | 113.8 | Y48 L49 | Y48-Q51 PolarHBondContact O-N 3.17Å; Y48-Q51 PolarHBondContact O-NE2 3.47Å; L49-Q51 VanDerWaalsContact C-N 3.29Å |
| 52 | N | 93.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | trans | -138.1 | 10.2 | -174.5 | 71.1 | 2.7 | 0 | 0 | 0 | 113.6 | T21 A24 L29 T46 Y50 D54 I55 I56 | T21-N52 PolarHBondContact O-ND2 3.36Å; T21-N52 VanDerWaalsContact O-ND2 3.13Å; T21-N52 PolarHBondContact OG1-ND2 2.99Å; A24-N52 PolarHBondContact O-ND2 3.37Å; L29-N52 HydrophobicContact CD2-CB 3.56Å; T46-N52 PolarHBondContact OG1-OD1 2.94Å; Y50-N52 PolarHBondContact O-N 2.93Å; Y50-N52 VanDerWaalsContact O-N 3.12Å; N52-D54 PolarHBondContact O-N 3.38Å; N52-I55 PolarHBondContact O-N 2.81Å; N52-I56 WeakPolarHBondContact O-CG1 3.33Å; N52-I56 PolarHBondContact O-N 2.93Å | ||
| 53 | E | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.8 | -27.7 | -179 | -63.1 | -164.4 | 111.2 | 0 | 0 | 112.2 | T46 Y48 I56 G57 T78 S97 M100 L101 | T46-E53 HydrophobicContact CG2-CG 3.99Å; T46-E53 WeakPolarHBondContact CG2-OE1 3.35Å; Y48-E53 WeakPolarHBondContact CA-OE2 3.4Å; E53-I56 PolarHBondContact O-N 3.1Å; E53-G57 PolarHBondContact O-N 3.42Å; E53-T78 VanDerWaalsContact OE1-CB 3.25Å; E53-T78 WeakPolarHBondContact OE1-CB 3.34Å; E53-T78 PolarHBondContact OE1-OG1 3.4Å; E53-S97 WeakPolarHBondContact OE2-CB 3.5Å; E53-S97 PolarHBondContact OE2-OG 3.22Å; E53-M100 HydrophobicContact CB-CB 3.81Å; E53-M100 WeakPolarHBondContact OE2-CE 3.36Å; E53-L101 HydrophobicContact CB-CD2 3.85Å; E53-L101 HydrophobicContact CB-CG 4Å; E53-L101 HydrophobicContact CG-CD2 4.27Å; E53-L101 HydrophobicContact CG-CG 4.48Å |
| 54 | D | 95.1 | Very high | 93.6 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 36% | 0.358 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.2 | 69.7 | -45.3 | 0 | 0 | 0 | 112.9 | N52 I56 G57 D58 M100 K102 | N52-D54 PolarHBondContact O-N 3.38Å; D54-I56 VanDerWaalsContact C-N 3.35Å; D54-G57 PolarHBondContact O-N 2.99Å; D54-D58 PolarHBondContact O-N 3.32Å; D54-M100 WeakPolarHBondContact CA-O 3.3Å; D54-K102 PolarHBondContact O-NZ 3.2Å |
| 55 | I | 94.5 | Very high | 93.4 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.087 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -38.1 | 178 | -65 | 167.7 | 0 | 0 | 0 | 110.2 | L29 R30 N52 D58 V59 | L29-I55 HydrophobicContact CB-CG2 4.47Å; L29-I55 HydrophobicContact CD2-CB 4Å; L29-I55 HydrophobicContact CD2-CD1 4.44Å; L29-I55 HydrophobicContact CD2-CG2 3.91Å; L29-I55 HydrophobicContact CG-CG2 4.11Å; R30-I55 HydrophobicContact CB-CG2 3.89Å; R30-I55 HydrophobicContact CG-CG2 4.21Å; N52-I55 PolarHBondContact O-N 2.81Å; I55-D58 PolarHBondContact O-N 3.28Å; I55-V59 WeakPolarHBondContact O-CG2 3.45Å; I55-V59 PolarHBondContact O-N 3.27Å; I55-V59 VanDerWaalsContact O-N 3.16Å |
| 56 | I | 97 | Very high | 93 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.4 | -62.5 | 165.1 | 0 | 0 | 0 | 109.7 | T21 L29 V33 I44 T46 N52 E53 D54 D58 V59 L60 L101 | T21-I56 HydrophobicContact CG2-CD1 3.72Å; T21-I56 HydrophobicContact CG2-CG1 4.4Å; L29-I56 HydrophobicContact CD2-CG1 4.22Å; V33-I56 HydrophobicContact CG2-CG1 4.33Å; I44-I56 HydrophobicContact CG2-CG2 4.3Å; T46-I56 HydrophobicContact CG2-CD1 3.99Å; T46-I56 WeakPolarHBondContact OG1-CD1 3.35Å; N52-I56 WeakPolarHBondContact O-CG1 3.33Å; N52-I56 PolarHBondContact O-N 2.93Å; E53-I56 PolarHBondContact O-N 3.1Å; D54-I56 VanDerWaalsContact C-N 3.35Å; I56-D58 PolarHBondContact O-N 3.31Å; I56-V59 PolarHBondContact O-N 2.95Å; I56-V59 VanDerWaalsContact O-N 3.15Å; I56-L60 HydrophobicContact CG2-CD1 3.87Å; I56-L60 HydrophobicContact CG2-CG 4.36Å; I56-L60 WeakPolarHBondContact O-CG 3.19Å; I56-L60 PolarHBondContact O-N 2.8Å; I56-L101 HydrophobicContact CB-CD2 4.37Å; I56-L101 HydrophobicContact CG2-CD2 4.17Å |
| 57 | G | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E53 D54 V59 K61 L101 | E53-G57 PolarHBondContact O-N 3.42Å; D54-G57 PolarHBondContact O-N 2.99Å; G57-V59 PolarHBondContact O-N 3.04Å; G57-K61 WeakPolarHBondContact O-CB 3.45Å; G57-K61 PolarHBondContact O-N 3.08Å; G57-L101 WeakPolarHBondContact CA-O 3.43Å |
| 58 | D | 95.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 171.6 | -74.9 | -1.6 | 0 | 0 | 0 | 112.2 | R30 D54 I55 I56 Q62 K102 | R30-D58 IonicContact CZ-OD2 2.65Å; R30-D58 IonicContact NH1-OD2 3.53Å; R30-D58 PolarHBondContact NH1-OD2 3.49Å; R30-D58 IonicContact NH2-OD2 2.67Å; R30-D58 PolarHBondContact NH2-OD2 3.41Å; D54-D58 PolarHBondContact O-N 3.32Å; I55-D58 PolarHBondContact O-N 3.28Å; I56-D58 PolarHBondContact O-N 3.31Å; D58-Q62 WeakPolarHBondContact O-CB 3.37Å; D58-Q62 VanDerWaalsContact O-CG 3.24Å; D58-Q62 WeakPolarHBondContact O-CG 3.23Å; D58-Q62 PolarHBondContact O-N 2.88Å; D58-K102 VanDerWaalsContact OD1-CE 3.22Å; D58-K102 WeakPolarHBondContact OD1-CE 3.41Å; D58-K102 IonicContact OD1-NZ 3.85Å; D58-K102 PolarHBondContact OD1-NZ 2.85Å |
| 59 | V | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -43.8 | -177.7 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | R30 V33 K34 L37 I55 I56 G57 Q62 W63 | R30-V59 HydrophobicContact CB-CG2 4.44Å; R30-V59 HydrophobicContact CG-CG2 3.49Å; R30-V59 VanDerWaalsContact CG-CG2 3.49Å; V33-V59 HydrophobicContact CB-CG1 4.17Å; V33-V59 HydrophobicContact CG1-CB 4.14Å; V33-V59 HydrophobicContact CG1-CG1 3.65Å; K34-V59 HydrophobicContact CG-CG1 3.54Å; K34-V59 HydrophobicContact CG-CG2 4.24Å; L37-V59 HydrophobicContact CD1-CG1 4.03Å; I55-V59 WeakPolarHBondContact O-CG2 3.45Å; I55-V59 PolarHBondContact O-N 3.27Å; I55-V59 VanDerWaalsContact O-N 3.16Å; I56-V59 PolarHBondContact O-N 2.95Å; I56-V59 VanDerWaalsContact O-N 3.15Å; G57-V59 PolarHBondContact O-N 3.04Å; V59-Q62 PolarHBondContact O-N 2.9Å; V59-W63 VanDerWaalsContact O-CB 3.32Å; V59-W63 WeakPolarHBondContact O-CB 3.36Å; V59-W63 PolarHBondContact O-N 3.18Å |
| 60 | L | 96.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 176 | -70.6 | 172.9 | 0 | 0 | 0 | 111.3 | L37 I44 I56 Q62 W63 F64 I74 I76 L103 | L37-L60 HydrophobicContact CD1-CD2 4.3Å; I44-L60 HydrophobicContact CD1-CD2 4.02Å; I56-L60 HydrophobicContact CG2-CD1 3.87Å; I56-L60 HydrophobicContact CG2-CG 4.36Å; I56-L60 WeakPolarHBondContact O-CG 3.19Å; I56-L60 PolarHBondContact O-N 2.8Å; L60-Q62 PolarHBondContact O-N 3.42Å; L60-W63 WeakPolarHBondContact O-CB 3.26Å; L60-W63 PolarHBondContact O-N 3.31Å; L60-W63 VanDerWaalsContact O-N 3.13Å; L60-F64 HydrophobicContact CB-CE2 3.96Å; L60-F64 HydrophobicContact CB-CZ 4.25Å; L60-F64 HydrophobicContact CD2-CZ 4.14Å; L60-F64 WeakPolarHBondContact O-CD2 3.31Å; L60-F64 WeakPolarHBondContact O-CG 3.49Å; L60-F64 PolarHBondContact O-N 2.89Å; L60-I74 HydrophobicContact CD2-CG2 4.21Å; L60-I76 HydrophobicContact CD1-CD1 3.65Å; L60-I76 HydrophobicContact CD1-CG1 4.35Å; L60-L103 HydrophobicContact CD1-CD1 4.46Å |
| 61 | K | 93.2 | Very high | 92.3 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 45% | 0.452 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.3 | -50.5 | 174.5 | 179.9 | 173.1 | 175.7 | 176.9 | 0 | 111.5 | G57 W63 F64 E65 | G57-K61 WeakPolarHBondContact O-CB 3.45Å; G57-K61 PolarHBondContact O-N 3.08Å; K61-W63 VanDerWaalsContact C-N 3.27Å; K61-W63 PolarHBondContact O-N 3.07Å; K61-F64 PolarHBondContact O-N 3.48Å; K61-E65 WeakPolarHBondContact CE-OE1 3.39Å; K61-E65 WeakPolarHBondContact CE-OE2 3.25Å; K61-E65 HydrophobicContact CG-CG 4.25Å; K61-E65 IonicContact NZ-OE1 2.82Å; K61-E65 WeakPolarHBondContact O-CB 3.43Å; K61-E65 WeakPolarHBondContact O-CG 3.28Å; K61-E65 PolarHBondContact O-N 3.3Å |
| 62 | Q | 91.2 | Very high | 92.4 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 39% | 0.388 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.4 | -36.4 | 175.6 | -73.2 | 170.8 | 22.7 | 0 | 0 | 112.6 | D58 V59 L60 A66 | D58-Q62 WeakPolarHBondContact O-CB 3.37Å; D58-Q62 VanDerWaalsContact O-CG 3.24Å; D58-Q62 WeakPolarHBondContact O-CG 3.23Å; D58-Q62 PolarHBondContact O-N 2.88Å; V59-Q62 PolarHBondContact O-N 2.9Å; L60-Q62 PolarHBondContact O-N 3.42Å; Q62-A66 WeakPolarHBondContact O-CB 3.26Å; Q62-A66 PolarHBondContact O-N 2.92Å |
| 63 | W | 92.5 | Very high | 92.2 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 11% | 0.106 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 178.9 | -167.4 | -86.7 | 0 | 0 | 0 | 112.3 | L37 E38 V59 L60 K61 G67 L68 | L37-W63 HydrophobicContact CB-CD2 4.09Å; L37-W63 HydrophobicContact CB-CE3 3.91Å; L37-W63 HydrophobicContact CB-CH2 3.73Å; L37-W63 HydrophobicContact CB-CZ2 3.89Å; L37-W63 HydrophobicContact CB-CZ3 3.73Å; L37-W63 HydrophobicContact CD1-CB 4.46Å; L37-W63 HydrophobicContact CD1-CD2 3.91Å; L37-W63 HydrophobicContact CD1-CE3 3.94Å; L37-W63 HydrophobicContact CD1-CG 4.14Å; E38-W63 HydrophobicContact CG-CH2 4.14Å; E38-W63 HydrophobicContact CG-CZ3 4.21Å; V59-W63 VanDerWaalsContact O-CB 3.32Å; V59-W63 WeakPolarHBondContact O-CB 3.36Å; V59-W63 PolarHBondContact O-N 3.18Å; L60-W63 WeakPolarHBondContact O-CB 3.26Å; L60-W63 PolarHBondContact O-N 3.31Å; L60-W63 VanDerWaalsContact O-N 3.13Å; K61-W63 VanDerWaalsContact C-N 3.27Å; K61-W63 PolarHBondContact O-N 3.07Å; W63-G67 PolarHBondContact O-N 3.47Å; W63-L68 HydrophobicContact CD2-CB 3.74Å; W63-L68 HydrophobicContact CD2-CD1 3.99Å; W63-L68 HydrophobicContact CE3-CB 4.39Å; W63-L68 HydrophobicContact CE3-CD1 3.81Å; W63-L68 HydrophobicContact CG-CB 4Å; W63-L68 HydrophobicContact CH2-CB 4.39Å; W63-L68 HydrophobicContact CH2-CD1 4.18Å; W63-L68 HydrophobicContact CZ2-CB 3.74Å; W63-L68 HydrophobicContact CZ2-CD1 4.35Å; W63-L68 HydrophobicContact CZ3-CD1 3.91Å; W63-L68 PolarHBondContact NE1-O 3.1Å; W63-L68 PolarHBondContact O-N 3.1Å |
| 64 | F | 93.4 | Very high | 92 | Very high | 51 Ų | 51 | 54.5 Ų | 54.5 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73 | -42.5 | 176.9 | -55.9 | -32.5 | 0 | 0 | 0 | 111.9 | L60 K61 A66 G67 G69 K70 R71 I74 L103 | L60-F64 HydrophobicContact CB-CE2 3.96Å; L60-F64 HydrophobicContact CB-CZ 4.25Å; L60-F64 HydrophobicContact CD2-CZ 4.14Å; L60-F64 WeakPolarHBondContact O-CD2 3.31Å; L60-F64 WeakPolarHBondContact O-CG 3.49Å; L60-F64 PolarHBondContact O-N 2.89Å; K61-F64 PolarHBondContact O-N 3.48Å; F64-A66 VanDerWaalsContact C-N 3.28Å; F64-A66 PolarHBondContact O-N 2.88Å; F64-G67 PolarHBondContact O-N 3Å; F64-G69 WeakPolarHBondContact CD1-O 3.43Å; F64-K70 VanDerWaalsContact CE1-C 3.43Å; F64-K70 WeakPolarHBondContact CE1-O 3.39Å; F64-R71 HydrophobicContact CE2-CB 4.31Å; F64-R71 HydrophobicContact CZ-CB 4.31Å; F64-I74 HydrophobicContact CE1-CG1 3.86Å; F64-I74 HydrophobicContact CZ-CG1 4.08Å; F64-L103 HydrophobicContact CE2-CD2 4.26Å |
| 65 | E | 92 | Very high | 92.1 | Very high | 137 Ų | 137 | 51.7 Ų | 51.7 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.8 | -30.8 | 175.8 | -72.3 | 178.1 | 150.9 | 0 | 0 | 112.4 | K61 G67 | K61-E65 WeakPolarHBondContact CE-OE1 3.39Å; K61-E65 WeakPolarHBondContact CE-OE2 3.25Å; K61-E65 HydrophobicContact CG-CG 4.25Å; K61-E65 IonicContact NZ-OE1 2.82Å; K61-E65 WeakPolarHBondContact O-CB 3.43Å; K61-E65 WeakPolarHBondContact O-CG 3.28Å; K61-E65 PolarHBondContact O-N 3.3Å; E65-G67 VanDerWaalsContact C-N 3.27Å; E65-G67 PolarHBondContact O-N 3.45Å |
| 66 | A | 89.1 | Confident | 92.2 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 54% | 0.537 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q62 F64 L68 | Q62-A66 WeakPolarHBondContact O-CB 3.26Å; Q62-A66 PolarHBondContact O-N 2.92Å; F64-A66 VanDerWaalsContact C-N 3.28Å; F64-A66 PolarHBondContact O-N 2.88Å; A66-L68 VanDerWaalsContact C-N 3.29Å; A66-L68 HydrophobicContact CB-CD1 4.04Å; A66-L68 HydrophobicContact CB-CG 3.95Å; A66-L68 PolarHBondContact O-N 3.21Å |
| 67 | G | 85.3 | Confident | 92.2 | Very high | 62 Ų | 62 | 51 Ų | 51 | 64% | 0.639 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 18.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | W63 F64 E65 G69 | W63-G67 PolarHBondContact O-N 3.47Å; F64-G67 PolarHBondContact O-N 3Å; E65-G67 VanDerWaalsContact C-N 3.27Å; E65-G67 PolarHBondContact O-N 3.45Å; G67-G69 PolarHBondContact O-N 3.29Å |
| 68 | L | 86.6 | Confident | 92.3 | Very high | 99 Ų | 99 | 51 Ų | 51 | 52% | 0.518 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -82.4 | 1 | -174.7 | -60.6 | 175 | 0 | 0 | 0 | 113.7 | W63 A66 | W63-L68 HydrophobicContact CD2-CB 3.74Å; W63-L68 HydrophobicContact CD2-CD1 3.99Å; W63-L68 HydrophobicContact CE3-CB 4.39Å; W63-L68 HydrophobicContact CE3-CD1 3.81Å; W63-L68 HydrophobicContact CG-CB 4Å; W63-L68 HydrophobicContact CH2-CB 4.39Å; W63-L68 HydrophobicContact CH2-CD1 4.18Å; W63-L68 HydrophobicContact CZ2-CB 3.74Å; W63-L68 HydrophobicContact CZ2-CD1 4.35Å; W63-L68 HydrophobicContact CZ3-CD1 3.91Å; W63-L68 PolarHBondContact NE1-O 3.1Å; W63-L68 PolarHBondContact O-N 3.1Å; A66-L68 VanDerWaalsContact C-N 3.29Å; A66-L68 HydrophobicContact CB-CD1 4.04Å; A66-L68 HydrophobicContact CB-CG 3.95Å; A66-L68 PolarHBondContact O-N 3.21Å |
| 69 | G | 84.6 | Confident | 92.4 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | trans | 166.7 | 172.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F64 G67 | F64-G69 WeakPolarHBondContact CD1-O 3.43Å; G67-G69 PolarHBondContact O-N 3.29Å | ||
| 70 | K | 88.3 | Confident | 92.4 | Very high | 117 Ų | 117 | 48.9 Ų | 48.9 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | trans | -106.5 | 166 | 174.9 | -57.6 | 179.5 | -176.7 | -174.9 | 0 | 111.8 | F64 E72 D73 | F64-K70 VanDerWaalsContact CE1-C 3.43Å; F64-K70 WeakPolarHBondContact CE1-O 3.39Å; K70-E72 VanDerWaalsContact C-N 3.26Å; K70-E72 HydrophobicContact CB-CG 3.88Å; K70-E72 HydrophobicContact CD-CG 3.74Å; K70-E72 WeakPolarHBondContact CD-OE1 3.34Å; K70-E72 IonicContact NZ-OE1 2.79Å; K70-E72 PolarHBondContact NZ-OE1 2.9Å; K70-E72 IonicContact NZ-OE2 2.66Å; K70-E72 PolarHBondContact O-N 3.23Å; K70-D73 WeakPolarHBondContact CB-OD2 3.49Å; K70-D73 PolarHBondContact N-OD2 3.47Å; K70-D73 PolarHBondContact O-N 2.92Å; K70-D73 VanDerWaalsContact O-N 3.15Å | ||
| 71 | R | 93.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -56.3 | -38.7 | 169.6 | 175.4 | 57.4 | -170.5 | 97.7 | -9.6 | 112.8 | F64 D73 I74 Y105 D107 | F64-R71 HydrophobicContact CE2-CB 4.31Å; F64-R71 HydrophobicContact CZ-CB 4.31Å; R71-D73 PolarHBondContact O-N 3.5Å; R71-I74 PolarHBondContact NH1-O 2.92Å; R71-I74 PolarHBondContact O-N 3.28Å; R71-Y105 HydrophobicContact CG-CE1 3.9Å; R71-Y105 VanDerWaalsContact CZ-CE2 3.42Å; R71-Y105 PolarHBondContact NH1-OH 2.89Å; R71-Y105 PolarHBondContact NH2-O 3.03Å; R71-D107 IonicContact CZ-OD2 3.2Å; R71-D107 VanDerWaalsContact CZ-OD2 3.25Å; R71-D107 IonicContact NH1-OD1 3.91Å; R71-D107 IonicContact NH1-OD2 2.7Å; R71-D107 PolarHBondContact NH1-OD2 3.1Å; R71-D107 IonicContact NH2-OD2 3.43Å; R71-D107 PolarHBondContact NH2-OD2 3.11Å |
| 72 | E | 90 | Very high | 91.4 | Very high | 123 Ų | 123 | 45 Ų | 45 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -69.8 | -15.5 | 179.8 | 70.2 | -153.2 | -142.2 | 0 | 0 | 114.3 | K70 | K70-E72 VanDerWaalsContact C-N 3.26Å; K70-E72 HydrophobicContact CB-CG 3.88Å; K70-E72 HydrophobicContact CD-CG 3.74Å; K70-E72 WeakPolarHBondContact CD-OE1 3.34Å; K70-E72 IonicContact NZ-OE1 2.79Å; K70-E72 PolarHBondContact NZ-OE1 2.9Å; K70-E72 IonicContact NZ-OE2 2.66Å; K70-E72 PolarHBondContact O-N 3.23Å |
| 73 | D | 88.6 | Confident | 91 | Very high | 82 Ų | 82 | 44.6 Ų | 44.6 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -87.7 | -14 | 178.9 | -60 | -47.8 | 0 | 0 | 0 | 113.5 | K70 R71 | K70-D73 WeakPolarHBondContact CB-OD2 3.49Å; K70-D73 PolarHBondContact N-OD2 3.47Å; K70-D73 PolarHBondContact O-N 2.92Å; K70-D73 VanDerWaalsContact O-N 3.15Å; R71-D73 PolarHBondContact O-N 3.5Å |
| 74 | I | 93.7 | Very high | 90.8 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | trans | -113.3 | 125.9 | -175.3 | -46.1 | -58.7 | 0 | 0 | 0 | 109.7 | L37 I44 L60 F64 R71 I76 | L37-I74 HydrophobicContact CD2-CD1 3.9Å; I44-I74 HydrophobicContact CD1-CG2 4.47Å; L60-I74 HydrophobicContact CD2-CG2 4.21Å; F64-I74 HydrophobicContact CE1-CG1 3.86Å; F64-I74 HydrophobicContact CZ-CG1 4.08Å; R71-I74 PolarHBondContact NH1-O 2.92Å; R71-I74 PolarHBondContact O-N 3.28Å; I74-I76 HydrophobicContact CG2-CD1 3.62Å; I74-I76 HydrophobicContact CG2-CG1 4.3Å | ||
| 75 | F | 96.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.6 | 172.8 | -165.1 | -74 | 0 | 0 | 0 | 109.8 | L8 V12 R13 M14 P15 R42 H43 I44 D107 L108 | L8-F75 HydrophobicContact CD1-CE2 4.48Å; L8-F75 HydrophobicContact CD1-CZ 4.08Å; V12-F75 HydrophobicContact CG1-CE2 3.85Å; R13-F75 WeakPolarHBondContact O-CD2 3.31Å; M14-F75 HydrophobicContact CB-CD2 4.16Å; M14-F75 HydrophobicContact CB-CE2 3.6Å; M14-F75 HydrophobicContact CB-CZ 3.82Å; M14-F75 HydrophobicContact CE-CD1 4.49Å; M14-F75 HydrophobicContact CE-CE1 3.85Å; M14-F75 HydrophobicContact CE-CZ 4.31Å; M14-F75 HydrophobicContact CG-CD1 4.19Å; M14-F75 HydrophobicContact CG-CD2 4.18Å; M14-F75 HydrophobicContact CG-CE1 3.78Å; M14-F75 HydrophobicContact CG-CE2 3.76Å; M14-F75 HydrophobicContact CG-CG 4.38Å; M14-F75 HydrophobicContact CG-CZ 3.55Å; M14-F75 HydrophobicContact SD-CE1 3.82Å; M14-F75 HydrophobicContact SD-CE2 4.41Å; M14-F75 HydrophobicContact SD-CZ 3.65Å; P15-F75 HydrophobicContact CG-CB 4.46Å; R42-F75 WeakPolarHBondContact O-CB 3.39Å; R42-F75 PolarHBondContact O-N 3.39Å; H43-F75 VanDerWaalsContact CA-O 3.3Å; H43-F75 WeakPolarHBondContact CA-O 3.49Å; H43-F75 HydrophobicContact CB-CB 4.26Å; H43-F75 AromaticContact CD2-CD1 3.56Å; I44-F75 PolarHBondContact N-O 2.87Å; F75-D107 WeakPolarHBondContact CA-OD2 3.41Å; F75-D107 HydrophobicContact CB-CB 4.47Å; F75-D107 HydrophobicContact CD1-CB 3.83Å; F75-D107 HydrophobicContact CD2-CB 3.72Å; F75-D107 HydrophobicContact CE1-CB 3.92Å; F75-D107 HydrophobicContact CE2-CB 3.82Å; F75-D107 HydrophobicContact CG-CB 3.73Å; F75-D107 HydrophobicContact CZ-CB 3.91Å; F75-L108 HydrophobicContact CE1-CB 3.6Å; F75-L108 HydrophobicContact CE1-CD2 4.27Å; F75-L108 HydrophobicContact CZ-CB 3.81Å; F75-L108 HydrophobicContact CZ-CD2 4.47Å |
| 76 | I | 97.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.3 | 179.1 | -56.8 | -60.9 | 0 | 0 | 0 | 110.6 | I44 L60 I74 L101 L103 V106 D107 L108 | I44-I76 HydrophobicContact CB-CD1 4.03Å; I44-I76 HydrophobicContact CD1-CD1 4.15Å; I44-I76 HydrophobicContact CG1-CD1 4.43Å; L60-I76 HydrophobicContact CD1-CD1 3.65Å; L60-I76 HydrophobicContact CD1-CG1 4.35Å; I74-I76 HydrophobicContact CG2-CD1 3.62Å; I74-I76 HydrophobicContact CG2-CG1 4.3Å; I76-L101 HydrophobicContact CG2-CD1 4.12Å; I76-L103 HydrophobicContact CB-CD1 4.46Å; I76-L103 HydrophobicContact CG1-CD1 3.98Å; I76-L103 HydrophobicContact CG2-CD1 4.35Å; I76-V106 HydrophobicContact CG2-CB 4.5Å; I76-V106 HydrophobicContact CG2-CG1 4.12Å; I76-D107 PolarHBondContact N-OD2 3.08Å; I76-D107 PolarHBondContact O-N 3.34Å; I76-L108 PolarHBondContact O-N 3.47Å; I76-L108 VanDerWaalsContact O-N 3.1Å |
| 77 | T | 97.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129 | 170.1 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | H43 I44 D45 T46 L108 L110 | H43-T77 PolarHBondContact NE2-OG1 2.85Å; I44-T77 PolarHBondContact O-N 2.99Å; D45-T77 WeakPolarHBondContact OD2-CG2 3.38Å; T46-T77 WeakPolarHBondContact CG2-O 3.48Å; T46-T77 PolarHBondContact N-O 3.27Å; T77-L108 WeakPolarHBondContact CA-O 3.47Å; T77-L108 HydrophobicContact CG2-CB 4.26Å; T77-L108 HydrophobicContact CG2-CD2 4.1Å; T77-L108 HydrophobicContact CG2-CG 4.16Å; T77-L110 HydrophobicContact CG2-CD1 3.86Å; T77-L110 HydrophobicContact CG2-CG 4.11Å |
| 78 | T | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 172.4 | 163.6 | -168.1 | 0 | 0 | 0 | 0 | 111.2 | T46 A47 E53 L94 L101 V106 L108 F109 L110 | T46-T78 WeakPolarHBondContact O-CA 3.25Å; A47-T78 WeakPolarHBondContact CA-OG1 3.33Å; E53-T78 VanDerWaalsContact OE1-CB 3.25Å; E53-T78 WeakPolarHBondContact OE1-CB 3.34Å; E53-T78 PolarHBondContact OE1-OG1 3.4Å; T78-L94 HydrophobicContact CG2-CD1 4.2Å; T78-L101 HydrophobicContact CG2-CD1 4.45Å; T78-V106 HydrophobicContact CG2-CG1 3.97Å; T78-V106 HydrophobicContact CG2-CG2 4.3Å; T78-L108 PolarHBondContact N-O 3.27Å; T78-L108 VanDerWaalsContact N-O 3.14Å; T78-F109 HydrophobicContact CG2-CD2 3.8Å; T78-F109 HydrophobicContact CG2-CE2 4.12Å; T78-F109 WeakPolarHBondContact O-CA 3.44Å; T78-L110 PolarHBondContact O-N 3.01Å |
| 79 | K | 97.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131.5 | -167.9 | -38.6 | -174.9 | -177.8 | 72.2 | 0 | 112.5 | D45 T46 A47 Y50 S81 L110 H112 | D45-K79 IonicContact OD1-NZ 3.52Å; D45-K79 PolarHBondContact OD1-NZ 2.7Å; D45-K79 WeakPolarHBondContact OD2-CE 3.33Å; D45-K79 IonicContact OD2-NZ 2.79Å; D45-K79 PolarHBondContact OD2-NZ 3.39Å; T46-K79 PolarHBondContact O-NZ 2.77Å; A47-K79 HydrophobicContact CB-CB 3.8Å; A47-K79 HydrophobicContact CB-CD 4.1Å; A47-K79 HydrophobicContact CB-CG 3.82Å; Y50-K79 PolarHBondContact OH-NZ 3.05Å; K79-S81 PolarHBondContact O-N 3.35Å; K79-L110 CarbonylContact C-O 3.58Å; K79-L110 WeakPolarHBondContact CA-O 3.19Å; K79-L110 HydrophobicContact CB-CB 4.3Å; K79-L110 HydrophobicContact CD-CB 4.49Å; K79-L110 HydrophobicContact CD-CD1 4.36Å; K79-L110 HydrophobicContact CG-CB 4.06Å; K79-L110 HydrophobicContact CG-CD1 4.42Å; K79-H112 HydrophobicContact CB-CB 3.68Å |
| 80 | L | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 129.2 | 176.9 | 176.4 | 62.6 | 0 | 0 | 0 | 111.2 | V90 S93 F109 L110 V111 H112 T142 M146 | L80-V90 HydrophobicContact CD1-CB 4.41Å; L80-V90 HydrophobicContact CD1-CG1 4.24Å; L80-V90 HydrophobicContact CD1-CG2 4.39Å; L80-V90 HydrophobicContact CD2-CG1 4.24Å; L80-V90 HydrophobicContact CD2-CG2 3.96Å; L80-S93 VanDerWaalsContact CD1-CB 3.42Å; L80-F109 HydrophobicContact CB-CE1 4.22Å; L80-F109 HydrophobicContact CB-CE2 4.19Å; L80-F109 HydrophobicContact CB-CZ 3.71Å; L80-F109 HydrophobicContact CD1-CE1 4.5Å; L80-F109 HydrophobicContact CD1-CZ 4.06Å; L80-F109 HydrophobicContact CG-CZ 4.49Å; L80-L110 PolarHBondContact N-O 2.91Å; L80-V111 HydrophobicContact CD2-CG1 4.46Å; L80-V111 HydrophobicContact CD2-CG2 4.41Å; L80-H112 WeakPolarHBondContact O-CB 3.29Å; L80-T142 HydrophobicContact CD2-CG2 3.52Å; L80-M146 HydrophobicContact CD2-SD 4.04Å |
| 81 | S | 86.2 | Confident | 91.6 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | trans | -69.1 | 141 | 176 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | K79 K83 Y84 | K79-S81 PolarHBondContact O-N 3.35Å; S81-K83 PolarHBondContact O-N 3.46Å; S81-Y84 PolarHBondContact O-N 2.67Å | ||
| 82 | A | 82.7 | Confident | 91.5 | Very high | 17 Ų | 17 | 40 Ų | 40 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -54.6 | -20.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y84 H85 T113 G116 N117 | A82-Y84 VanDerWaalsContact C-N 3.27Å; A82-Y84 PolarHBondContact O-N 2.91Å; A82-H85 PolarHBondContact O-CD2 3.49Å; A82-T113 HydrophobicContact CB-CG2 3.89Å; A82-G116 CarbonylContact O-C 3.6Å; A82-G116 WeakPolarHBondContact O-CA 3.48Å; A82-N117 HydrophobicContact CB-CB 4.44Å; A82-N117 PolarHBondContact O-N 2.91Å |
| 83 | K | 83.3 | Confident | 91.6 | Very high | 74 Ų | 74 | 34.2 Ų | 34.2 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -69.8 | -17.1 | 175.6 | -60.3 | -171.9 | 178.4 | -168 | 0 | 114.8 | S81 G123 L125 | S81-K83 PolarHBondContact O-N 3.46Å; K83-G123 PolarHBondContact NZ-O 3.28Å; K83-L125 HydrophobicContact CG-CD2 4.1Å |
| 84 | Y | 88.3 | Confident | 92 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 8% | 0.078 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -124.1 | 36 | -161.2 | -64.2 | -43.6 | 0 | 0 | 0 | 112.8 | Y48 S81 A82 R86 D89 S93 E96 | Y48-Y84 HydrophobicContact CE2-CE2 4.29Å; S81-Y84 PolarHBondContact O-N 2.67Å; A82-Y84 VanDerWaalsContact C-N 3.27Å; A82-Y84 PolarHBondContact O-N 2.91Å; Y84-R86 PolarHBondContact O-N 3.04Å; Y84-D89 HydrophobicContact CD1-CB 3.97Å; Y84-D89 HydrophobicContact CG-CB 4.32Å; Y84-S93 WeakPolarHBondContact CD2-OG 3.42Å; Y84-E96 VanDerWaalsContact CE2-OE2 3.3Å; Y84-E96 WeakPolarHBondContact CE2-OE2 3.42Å; Y84-E96 PolarHBondContact OH-OE1 3.07Å; Y84-E96 PolarHBondContact OH-OE2 3.03Å |
| 85 | H | 90.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | trans | -74.3 | -19.8 | -174.4 | -91.3 | -118.8 | 0 | 0 | 0 | 115.6 | A82 T113 V137 T142 | A82-H85 PolarHBondContact O-CD2 3.49Å; H85-T113 PolarHBondContact CE1-O 3.3Å; H85-T113 PolarHBondContact NE2-O 2.6Å; H85-V137 HydrophobicContact CB-CB 4.35Å; H85-V137 HydrophobicContact CB-CG1 4.48Å; H85-V137 HydrophobicContact CB-CG2 4.41Å; H85-T142 HydrophobicContact CB-CG2 4.45Å; H85-T142 PolarHBondContact ND1-OG1 3.36Å; H85-T142 VanDerWaalsContact O-CA 3.3Å; H85-T142 WeakPolarHBondContact O-CA 3.03Å; H85-T142 VanDerWaalsContact O-CB 3.32Å; H85-T142 WeakPolarHBondContact O-CB 3.26Å; H85-T142 PolarHBondContact O-OG1 3.35Å | ||
| 86 | R | 88.2 | Confident | 92 | Very high | 95 Ų | 95 | 36.7 Ų | 36.7 | 36% | 0.358 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -74 | 143.5 | 179.1 | -60.8 | 174.9 | -167 | 153.8 | -0 | 109.9 | Y84 P88 D89 V90 D135 V137 E141 | Y84-R86 PolarHBondContact O-N 3.04Å; R86-P88 VanDerWaalsContact C-CD 3.42Å; R86-P88 VanDerWaalsContact C-N 3.34Å; R86-P88 VanDerWaalsContact O-N 3.1Å; R86-D89 PolarHBondContact O-N 3.3Å; R86-V90 PolarHBondContact O-N 3.47Å; R86-D135 IonicContact CZ-OD1 2.59Å; R86-D135 IonicContact CZ-OD2 3.74Å; R86-D135 IonicContact NE-OD1 3.79Å; R86-D135 IonicContact NE-OD2 2.7Å; R86-D135 PolarHBondContact NE-OD2 2.66Å; R86-D135 IonicContact NH2-OD1 3.87Å; R86-D135 PolarHBondContact NH2-OD1 3.34Å; R86-D135 IonicContact NH2-OD2 3.22Å; R86-D135 PolarHBondContact NH2-OD2 2.87Å; R86-V137 HydrophobicContact CG-CG2 3.66Å; R86-E141 WeakPolarHBondContact CA-OE1 3.22Å |
| 87 | R | 91.2 | Very high | 92 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -49.1 | -42.5 | -170 | -179.7 | 169.5 | 179.6 | 169.3 | 1.3 | 114.9 | E141 D148 | R87-E141 HydrophobicContact CB-CG 3.72Å; R87-E141 PolarHBondContact N-OE1 2.79Å; R87-D148 IonicContact CZ-OD1 3.85Å; R87-D148 IonicContact CZ-OD2 3.24Å; R87-D148 IonicContact NE-OD2 3.09Å; R87-D148 PolarHBondContact NE-OD2 3.43Å; R87-D148 IonicContact NH2-OD1 2.79Å; R87-D148 PolarHBondContact NH2-OD1 2.75Å; R87-D148 IonicContact NH2-OD2 2.74Å; R87-D148 PolarHBondContact NH2-OD2 3.08Å |
| 88 | P | 86.6 | Confident | 92 | Very high | 100 Ų | 100 | 37.2 Ų | 37.2 | 65% | 0.649 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -69.9 | -30.5 | 178.5 | -19 | 33.7 | 0 | 0 | 0 | 114.3 | R86 V90 | R86-P88 VanDerWaalsContact C-CD 3.42Å; R86-P88 VanDerWaalsContact C-N 3.34Å; R86-P88 VanDerWaalsContact O-N 3.1Å; P88-V90 VanDerWaalsContact C-N 3.34Å |
| 89 | D | 90.4 | Very high | 91.9 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -78.4 | -19.9 | -175.3 | -66.6 | -58.5 | 0 | 0 | 0 | 112.5 | Y84 R86 E91 R92 S93 | Y84-D89 HydrophobicContact CD1-CB 3.97Å; Y84-D89 HydrophobicContact CG-CB 4.32Å; R86-D89 PolarHBondContact O-N 3.3Å; D89-E91 PolarHBondContact O-N 3.24Å; D89-R92 WeakPolarHBondContact O-CB 3.37Å; D89-R92 PolarHBondContact O-N 2.87Å; D89-S93 PolarHBondContact O-N 2.99Å |
| 90 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 176 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | L80 R86 P88 R92 S93 L94 F109 T142 M146 | L80-V90 HydrophobicContact CD1-CB 4.41Å; L80-V90 HydrophobicContact CD1-CG1 4.24Å; L80-V90 HydrophobicContact CD1-CG2 4.39Å; L80-V90 HydrophobicContact CD2-CG1 4.24Å; L80-V90 HydrophobicContact CD2-CG2 3.96Å; R86-V90 PolarHBondContact O-N 3.47Å; P88-V90 VanDerWaalsContact C-N 3.34Å; V90-R92 VanDerWaalsContact C-N 3.34Å; V90-S93 PolarHBondContact O-N 2.88Å; V90-L94 PolarHBondContact O-N 3.04Å; V90-L94 VanDerWaalsContact O-N 3.16Å; V90-F109 HydrophobicContact CG1-CE1 3.88Å; V90-T142 HydrophobicContact CG2-CG2 4.36Å; V90-M146 HydrophobicContact CG1-CG 4.4Å; V90-M146 HydrophobicContact CG1-SD 3.64Å |
| 91 | E | 94.2 | Very high | 92.1 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -35.3 | 175.6 | -179.9 | 175.8 | -177.6 | 0 | 0 | 112.5 | D89 K95 V149 K152 L154 | D89-E91 PolarHBondContact O-N 3.24Å; E91-K95 HydrophobicContact CG-CD 4.23Å; E91-K95 WeakPolarHBondContact O-CG 3.3Å; E91-K95 PolarHBondContact O-N 2.98Å; E91-K95 VanDerWaalsContact OE1-CE 3.31Å; E91-K95 WeakPolarHBondContact OE1-CE 3.43Å; E91-K95 IonicContact OE1-NZ 2.66Å; E91-K95 PolarHBondContact OE1-NZ 3.49Å; E91-V149 VanDerWaalsContact CA-CG1 3.49Å; E91-V149 HydrophobicContact CB-CG1 3.72Å; E91-V149 HydrophobicContact CG-CG1 4.18Å; E91-K152 IonicContact OE1-NZ 2.8Å; E91-K152 PolarHBondContact OE1-NZ 3.03Å; E91-K152 VanDerWaalsContact OE1-NZ 3.08Å; E91-K152 IonicContact OE2-NZ 3.81Å; E91-K152 PolarHBondContact OE2-NZ 2.76Å; E91-L154 HydrophobicContact CG-CD1 4.2Å |
| 92 | R | 90.9 | Very high | 92.5 | Very high | 125 Ų | 125 | 51.2 Ų | 51.2 | 47% | 0.472 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.8 | -50.3 | 174.6 | 178.6 | -175.2 | 170.5 | 175.5 | -1.4 | 110.8 | D89 V90 L94 K95 E96 | D89-R92 WeakPolarHBondContact O-CB 3.37Å; D89-R92 PolarHBondContact O-N 2.87Å; V90-R92 VanDerWaalsContact C-N 3.34Å; R92-L94 VanDerWaalsContact C-N 3.27Å; R92-L94 PolarHBondContact O-N 2.66Å; R92-K95 PolarHBondContact O-N 3.14Å; R92-E96 HydrophobicContact CG-CG 4.49Å; R92-E96 IonicContact CZ-OE1 2.87Å; R92-E96 IonicContact NE-OE1 3.67Å; R92-E96 PolarHBondContact NE-OE1 3.27Å; R92-E96 IonicContact NH2-OE1 2.7Å; R92-E96 PolarHBondContact NH2-OE1 3.24Å; R92-E96 WeakPolarHBondContact O-CG 3.44Å; R92-E96 PolarHBondContact O-N 3.49Å |
| 93 | S | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.8 | -42.6 | 178.1 | -170.7 | 0 | 0 | 0 | 0 | 112.2 | L80 Y84 D89 V90 S97 | L80-S93 VanDerWaalsContact CD1-CB 3.42Å; Y84-S93 WeakPolarHBondContact CD2-OG 3.42Å; D89-S93 PolarHBondContact O-N 2.99Å; V90-S93 PolarHBondContact O-N 2.88Å; S93-S97 PolarHBondContact O-N 3.4Å; S93-S97 VanDerWaalsContact O-N 3.11Å; S93-S97 PolarHBondContact O-OG 3.31Å |
| 94 | L | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.6 | -38.4 | -179.5 | -176.9 | 56.5 | 0 | 0 | 0 | 111.7 | T78 V90 R92 S97 L98 V106 F109 V149 L154 T155 | T78-L94 HydrophobicContact CG2-CD1 4.2Å; V90-L94 PolarHBondContact O-N 3.04Å; V90-L94 VanDerWaalsContact O-N 3.16Å; R92-L94 VanDerWaalsContact C-N 3.27Å; R92-L94 PolarHBondContact O-N 2.66Å; L94-S97 PolarHBondContact O-N 2.85Å; L94-L98 HydrophobicContact CD1-CD1 4.43Å; L94-L98 HydrophobicContact CD1-CG 4.19Å; L94-L98 HydrophobicContact CG-CD1 4.02Å; L94-L98 HydrophobicContact CG-CG 4.28Å; L94-L98 WeakPolarHBondContact O-CB 3.4Å; L94-L98 VanDerWaalsContact O-CG 3.25Å; L94-L98 WeakPolarHBondContact O-CG 3.15Å; L94-L98 PolarHBondContact O-N 3.02Å; L94-V106 HydrophobicContact CD1-CG2 3.86Å; L94-F109 HydrophobicContact CB-CD1 4.49Å; L94-F109 HydrophobicContact CB-CE1 3.92Å; L94-F109 HydrophobicContact CB-CE2 4.33Å; L94-F109 HydrophobicContact CB-CZ 3.83Å; L94-F109 HydrophobicContact CD1-CD1 4.41Å; L94-F109 HydrophobicContact CD1-CD2 3.83Å; L94-F109 HydrophobicContact CD1-CE1 4.49Å; L94-F109 HydrophobicContact CD1-CE2 3.92Å; L94-F109 HydrophobicContact CD1-CG 4.09Å; L94-F109 HydrophobicContact CD1-CZ 4.26Å; L94-F109 HydrophobicContact CD2-CD1 4.1Å; L94-F109 HydrophobicContact CD2-CE1 4.33Å; L94-F109 HydrophobicContact CD2-CG 4.4Å; L94-F109 HydrophobicContact CG-CE1 4.48Å; L94-V149 HydrophobicContact CD2-CB 3.81Å; L94-V149 HydrophobicContact CD2-CG1 4.31Å; L94-V149 HydrophobicContact CD2-CG2 3.84Å; L94-L154 HydrophobicContact CD2-CB 3.56Å; L94-L154 HydrophobicContact CG-CB 4.36Å; L94-T155 HydrophobicContact CD2-CG2 4.49Å |
| 95 | K | 94.9 | Very high | 94.2 | Very high | 100 Ų | 100 | 56.3 Ų | 56.3 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 175.5 | -74.7 | 175.4 | -173.9 | 171.4 | 0 | 112.5 | E91 R92 S97 L98 E99 | E91-K95 HydrophobicContact CG-CD 4.23Å; E91-K95 WeakPolarHBondContact O-CG 3.3Å; E91-K95 PolarHBondContact O-N 2.98Å; E91-K95 VanDerWaalsContact OE1-CE 3.31Å; E91-K95 WeakPolarHBondContact OE1-CE 3.43Å; E91-K95 IonicContact OE1-NZ 2.66Å; E91-K95 PolarHBondContact OE1-NZ 3.49Å; R92-K95 PolarHBondContact O-N 3.14Å; K95-S97 VanDerWaalsContact C-N 3.3Å; K95-S97 PolarHBondContact O-N 2.74Å; K95-L98 PolarHBondContact O-N 3.12Å; K95-E99 PolarHBondContact O-N 3.07Å |
| 96 | E | 94.2 | Very high | 94.5 | Very high | 45 Ų | 45 | 56.2 Ų | 56.2 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 174.1 | -68.5 | 174.1 | 177.9 | 0 | 0 | 110.8 | Y48 Y84 R92 M100 | Y48-E96 HydrophobicContact CE2-CB 3.87Å; Y48-E96 WeakPolarHBondContact CE2-OE2 3.4Å; Y48-E96 PolarHBondContact OH-OE2 3.38Å; Y84-E96 VanDerWaalsContact CE2-OE2 3.3Å; Y84-E96 WeakPolarHBondContact CE2-OE2 3.42Å; Y84-E96 PolarHBondContact OH-OE1 3.07Å; Y84-E96 PolarHBondContact OH-OE2 3.03Å; R92-E96 HydrophobicContact CG-CG 4.49Å; R92-E96 IonicContact CZ-OE1 2.87Å; R92-E96 IonicContact NE-OE1 3.67Å; R92-E96 PolarHBondContact NE-OE1 3.27Å; R92-E96 IonicContact NH2-OE1 2.7Å; R92-E96 PolarHBondContact NH2-OE1 3.24Å; R92-E96 WeakPolarHBondContact O-CG 3.44Å; R92-E96 PolarHBondContact O-N 3.49Å; E96-M100 WeakPolarHBondContact O-CE 3.23Å; E96-M100 WeakPolarHBondContact O-CG 3.44Å; E96-M100 PolarHBondContact O-N 2.91Å |
| 97 | S | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 173 | -74.5 | 0 | 0 | 0 | 0 | 114 | E53 S93 L94 K95 E99 M100 L101 | E53-S97 WeakPolarHBondContact OE2-CB 3.5Å; E53-S97 PolarHBondContact OE2-OG 3.22Å; S93-S97 PolarHBondContact O-N 3.4Å; S93-S97 VanDerWaalsContact O-N 3.11Å; S93-S97 PolarHBondContact O-OG 3.31Å; L94-S97 PolarHBondContact O-N 2.85Å; K95-S97 VanDerWaalsContact C-N 3.3Å; K95-S97 PolarHBondContact O-N 2.74Å; S97-E99 PolarHBondContact O-N 3.35Å; S97-M100 PolarHBondContact O-N 3.25Å; S97-L101 WeakPolarHBondContact O-CB 3.41Å; S97-L101 VanDerWaalsContact O-CG 3.25Å; S97-L101 WeakPolarHBondContact O-CG 3.32Å; S97-L101 PolarHBondContact O-N 3.01Å |
| 98 | L | 97.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 178.8 | -75.2 | 171.3 | 0 | 0 | 0 | 112.3 | L94 K95 L101 K102 L103 Y105 V106 L154 | L94-L98 HydrophobicContact CD1-CD1 4.43Å; L94-L98 HydrophobicContact CD1-CG 4.19Å; L94-L98 HydrophobicContact CG-CD1 4.02Å; L94-L98 HydrophobicContact CG-CG 4.28Å; L94-L98 WeakPolarHBondContact O-CB 3.4Å; L94-L98 VanDerWaalsContact O-CG 3.25Å; L94-L98 WeakPolarHBondContact O-CG 3.15Å; L94-L98 PolarHBondContact O-N 3.02Å; K95-L98 PolarHBondContact O-N 3.12Å; L98-L101 PolarHBondContact O-N 3.29Å; L98-K102 PolarHBondContact O-N 3.11Å; L98-L103 HydrophobicContact CD2-CB 4.32Å; L98-L103 WeakPolarHBondContact CD2-O 3.4Å; L98-L103 PolarHBondContact O-N 3.21Å; L98-L103 VanDerWaalsContact O-N 3.12Å; L98-Y105 VanDerWaalsContact CD2-C 3.5Å; L98-V106 HydrophobicContact CD2-CG1 3.81Å; L98-L154 HydrophobicContact CD1-CB 4.19Å; L98-L154 HydrophobicContact CD1-CD2 4.18Å |
| 99 | E | 96.1 | Very high | 95.7 | Very high | 161 Ų | 161 | 43 Ų | 43 | 75% | 0.752 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -63.6 | -45.6 | 175.2 | -174.9 | 171.4 | -171.1 | 0 | 0 | 111.5 | K95 S97 K102 | K95-E99 PolarHBondContact O-N 3.07Å; S97-E99 PolarHBondContact O-N 3.35Å; E99-K102 PolarHBondContact O-N 3.32Å |
| 100 | M | 97.5 | Very high | 95.9 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 175 | -68.9 | -173.4 | -71.1 | 0 | 0 | 112.1 | Y48 E53 D54 E96 S97 K102 | Y48-M100 HydrophobicContact CD2-CE 3.88Å; Y48-M100 HydrophobicContact CE2-CE 4.05Å; E53-M100 HydrophobicContact CB-CB 3.81Å; E53-M100 WeakPolarHBondContact OE2-CE 3.36Å; D54-M100 WeakPolarHBondContact CA-O 3.3Å; E96-M100 WeakPolarHBondContact O-CE 3.23Å; E96-M100 WeakPolarHBondContact O-CG 3.44Å; E96-M100 PolarHBondContact O-N 2.91Å; S97-M100 PolarHBondContact O-N 3.25Å; M100-K102 WeakPolarHBondContact O-CG 3.24Å; M100-K102 PolarHBondContact O-N 2.95Å; M100-K102 PolarHBondContact O-NZ 2.97Å |
| 101 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -17.5 | 176.8 | -70.7 | 170.9 | 0 | 0 | 0 | 113.4 | T46 E53 I56 G57 I76 T78 S97 L98 L103 V106 | T46-L101 HydrophobicContact CG2-CD2 4.27Å; E53-L101 HydrophobicContact CB-CD2 3.85Å; E53-L101 HydrophobicContact CB-CG 4Å; E53-L101 HydrophobicContact CG-CD2 4.27Å; E53-L101 HydrophobicContact CG-CG 4.48Å; I56-L101 HydrophobicContact CB-CD2 4.37Å; I56-L101 HydrophobicContact CG2-CD2 4.17Å; G57-L101 WeakPolarHBondContact CA-O 3.43Å; I76-L101 HydrophobicContact CG2-CD1 4.12Å; T78-L101 HydrophobicContact CG2-CD1 4.45Å; S97-L101 WeakPolarHBondContact O-CB 3.41Å; S97-L101 VanDerWaalsContact O-CG 3.25Å; S97-L101 WeakPolarHBondContact O-CG 3.32Å; S97-L101 PolarHBondContact O-N 3.01Å; L98-L101 PolarHBondContact O-N 3.29Å; L101-L103 VanDerWaalsContact C-N 3.34Å; L101-L103 HydrophobicContact CB-CB 4.37Å; L101-L103 HydrophobicContact CB-CD1 4.06Å; L101-L103 HydrophobicContact CB-CG 3.99Å; L101-L103 WeakPolarHBondContact O-CG 3.44Å; L101-V106 HydrophobicContact CD1-CG1 3.75Å |
| 102 | K | 95.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 40.2 Ų | 40.2 | 40% | 0.404 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 40.5 | -176.6 | -47.1 | 179.6 | -178.7 | 74.4 | 0 | 112 | D54 D58 L98 E99 M100 | D54-K102 PolarHBondContact O-NZ 3.2Å; D58-K102 VanDerWaalsContact OD1-CE 3.22Å; D58-K102 WeakPolarHBondContact OD1-CE 3.41Å; D58-K102 IonicContact OD1-NZ 3.85Å; D58-K102 PolarHBondContact OD1-NZ 2.85Å; L98-K102 PolarHBondContact O-N 3.11Å; E99-K102 PolarHBondContact O-N 3.32Å; M100-K102 WeakPolarHBondContact O-CG 3.24Å; M100-K102 PolarHBondContact O-N 2.95Å; M100-K102 PolarHBondContact O-NZ 2.97Å |
| 103 | L | 96.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | trans | -127.7 | 149.7 | -175.4 | -61 | -178.3 | 0 | 0 | 0 | 112 | L60 F64 I76 L98 L101 | L60-L103 HydrophobicContact CD1-CD1 4.46Å; F64-L103 HydrophobicContact CE2-CD2 4.26Å; I76-L103 HydrophobicContact CB-CD1 4.46Å; I76-L103 HydrophobicContact CG1-CD1 3.98Å; I76-L103 HydrophobicContact CG2-CD1 4.35Å; L98-L103 HydrophobicContact CD2-CB 4.32Å; L98-L103 WeakPolarHBondContact CD2-O 3.4Å; L98-L103 PolarHBondContact O-N 3.21Å; L98-L103 VanDerWaalsContact O-N 3.12Å; L101-L103 VanDerWaalsContact C-N 3.34Å; L101-L103 HydrophobicContact CB-CB 4.37Å; L101-L103 HydrophobicContact CB-CD1 4.06Å; L101-L103 HydrophobicContact CB-CG 3.99Å; L101-L103 WeakPolarHBondContact O-CG 3.44Å | ||
| 104 | D | 94.2 | Very high | 94.8 | Very high | 145 Ų | 145 | 37.1 Ų | 37.1 | 78% | 0.775 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -76.8 | -26.5 | 173.7 | -50.8 | -72.2 | 0 | 0 | 0 | 113.4 | ||
| 105 | Y | 97.9 | Very high | 93.9 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | trans | -153.2 | 159.8 | -179.2 | 74.6 | -90.1 | 0 | 0 | 0 | 112.3 | R71 L98 L154 R156 | R71-Y105 HydrophobicContact CG-CE1 3.9Å; R71-Y105 VanDerWaalsContact CZ-CE2 3.42Å; R71-Y105 PolarHBondContact NH1-OH 2.89Å; R71-Y105 PolarHBondContact NH2-O 3.03Å; L98-Y105 VanDerWaalsContact CD2-C 3.5Å; Y105-L154 WeakPolarHBondContact CA-O 3.37Å; Y105-R156 HydrophobicContact CD2-CG 3.85Å; Y105-R156 HydrophobicContact CE2-CG 3.98Å | ||
| 106 | V | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -110 | 158.7 | 166.4 | -60.8 | 0 | 0 | 0 | 0 | 112 | I76 T78 L94 L98 L101 F109 L154 T155 R156 | I76-V106 HydrophobicContact CG2-CB 4.5Å; I76-V106 HydrophobicContact CG2-CG1 4.12Å; T78-V106 HydrophobicContact CG2-CG1 3.97Å; T78-V106 HydrophobicContact CG2-CG2 4.3Å; L94-V106 HydrophobicContact CD1-CG2 3.86Å; L98-V106 HydrophobicContact CD2-CG1 3.81Å; L101-V106 HydrophobicContact CD1-CG1 3.75Å; V106-F109 HydrophobicContact CG2-CB 4.22Å; V106-L154 PolarHBondContact N-O 3.42Å; V106-T155 CarbonylContact O-C 3.54Å; V106-T155 VanDerWaalsContact O-CA 3.24Å; V106-T155 WeakPolarHBondContact O-CA 3.37Å; V106-T155 PolarHBondContact O-OG1 2.89Å; V106-R156 PolarHBondContact O-N 2.96Å |
| 107 | D | 97.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -86 | -28.3 | -177.5 | -60.7 | -89.5 | 0 | 0 | 0 | 112.6 | R71 F75 I76 R156 A157 | R71-D107 IonicContact CZ-OD2 3.2Å; R71-D107 VanDerWaalsContact CZ-OD2 3.25Å; R71-D107 IonicContact NH1-OD1 3.91Å; R71-D107 IonicContact NH1-OD2 2.7Å; R71-D107 PolarHBondContact NH1-OD2 3.1Å; R71-D107 IonicContact NH2-OD2 3.43Å; R71-D107 PolarHBondContact NH2-OD2 3.11Å; F75-D107 WeakPolarHBondContact CA-OD2 3.41Å; F75-D107 HydrophobicContact CB-CB 4.47Å; F75-D107 HydrophobicContact CD1-CB 3.83Å; F75-D107 HydrophobicContact CD2-CB 3.72Å; F75-D107 HydrophobicContact CE1-CB 3.92Å; F75-D107 HydrophobicContact CE2-CB 3.82Å; F75-D107 HydrophobicContact CG-CB 3.73Å; F75-D107 HydrophobicContact CZ-CB 3.91Å; I76-D107 PolarHBondContact N-OD2 3.08Å; I76-D107 PolarHBondContact O-N 3.34Å; D107-R156 WeakPolarHBondContact OD1-CD 3.3Å; D107-R156 IonicContact OD1-CZ 3.03Å; D107-R156 IonicContact OD1-NE 3.62Å; D107-R156 IonicContact OD1-NH1 3.07Å; D107-R156 PolarHBondContact OD1-NH1 3.5Å; D107-A157 WeakPolarHBondContact O-CB 3.48Å; D107-A157 PolarHBondContact O-N 3.41Å; D107-A157 VanDerWaalsContact O-N 3.07Å |
| 108 | L | 96.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 131.1 | 174.7 | 179.9 | 60.6 | 0 | 0 | 0 | 110.8 | M14 F75 I76 T77 T78 L110 A157 | M14-L108 HydrophobicContact CE-CD2 3.88Å; M14-L108 HydrophobicContact SD-CD2 4.03Å; F75-L108 HydrophobicContact CE1-CB 3.6Å; F75-L108 HydrophobicContact CE1-CD2 4.27Å; F75-L108 HydrophobicContact CZ-CB 3.81Å; F75-L108 HydrophobicContact CZ-CD2 4.47Å; I76-L108 PolarHBondContact O-N 3.47Å; I76-L108 VanDerWaalsContact O-N 3.1Å; T77-L108 WeakPolarHBondContact CA-O 3.47Å; T77-L108 HydrophobicContact CG2-CB 4.26Å; T77-L108 HydrophobicContact CG2-CD2 4.1Å; T77-L108 HydrophobicContact CG2-CG 4.16Å; T78-L108 PolarHBondContact N-O 3.27Å; T78-L108 VanDerWaalsContact N-O 3.14Å; L108-L110 HydrophobicContact CD1-CD2 3.89Å; L108-L110 HydrophobicContact CD2-CD2 3.97Å; L108-L110 HydrophobicContact CD2-CG 4.34Å; L108-L110 HydrophobicContact CG-CD2 3.82Å; L108-L110 HydrophobicContact CG-CG 4.13Å; L108-A157 WeakPolarHBondContact CA-O 3.3Å; L108-A157 HydrophobicContact CD1-CB 3.88Å |
| 109 | F | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.8 | 173.2 | -170.7 | -135.4 | 0 | 0 | 0 | 109.9 | T78 L80 V90 L94 V106 M146 V149 T155 A157 I158 G159 | T78-F109 HydrophobicContact CG2-CD2 3.8Å; T78-F109 HydrophobicContact CG2-CE2 4.12Å; T78-F109 WeakPolarHBondContact O-CA 3.44Å; L80-F109 HydrophobicContact CB-CE1 4.22Å; L80-F109 HydrophobicContact CB-CE2 4.19Å; L80-F109 HydrophobicContact CB-CZ 3.71Å; L80-F109 HydrophobicContact CD1-CE1 4.5Å; L80-F109 HydrophobicContact CD1-CZ 4.06Å; L80-F109 HydrophobicContact CG-CZ 4.49Å; V90-F109 HydrophobicContact CG1-CE1 3.88Å; L94-F109 HydrophobicContact CB-CD1 4.49Å; L94-F109 HydrophobicContact CB-CE1 3.92Å; L94-F109 HydrophobicContact CB-CE2 4.33Å; L94-F109 HydrophobicContact CB-CZ 3.83Å; L94-F109 HydrophobicContact CD1-CD1 4.41Å; L94-F109 HydrophobicContact CD1-CD2 3.83Å; L94-F109 HydrophobicContact CD1-CE1 4.49Å; L94-F109 HydrophobicContact CD1-CE2 3.92Å; L94-F109 HydrophobicContact CD1-CG 4.09Å; L94-F109 HydrophobicContact CD1-CZ 4.26Å; L94-F109 HydrophobicContact CD2-CD1 4.1Å; L94-F109 HydrophobicContact CD2-CE1 4.33Å; L94-F109 HydrophobicContact CD2-CG 4.4Å; L94-F109 HydrophobicContact CG-CE1 4.48Å; V106-F109 HydrophobicContact CG2-CB 4.22Å; F109-M146 HydrophobicContact CB-CE 4.14Å; F109-M146 HydrophobicContact CD1-CE 3.37Å; F109-M146 HydrophobicContact CD1-SD 3.65Å; F109-M146 HydrophobicContact CE1-CE 3.96Å; F109-M146 HydrophobicContact CE1-SD 3.68Å; F109-M146 HydrophobicContact CG-CE 3.84Å; F109-M146 WeakPolarHBondContact O-CE 3.35Å; F109-V149 HydrophobicContact CD1-CG2 4Å; F109-V149 HydrophobicContact CE1-CG2 4.34Å; F109-T155 HydrophobicContact CB-CG2 3.98Å; F109-T155 PolarHBondContact N-OG1 3.43Å; F109-A157 PolarHBondContact N-O 2.84Å; F109-I158 CarbonylContact O-C 3.56Å; F109-I158 VanDerWaalsContact O-CA 3.29Å; F109-I158 WeakPolarHBondContact O-CA 3.39Å; F109-G159 PolarHBondContact O-N 3.27Å; F109-G159 VanDerWaalsContact O-N 3.09Å |
| 110 | L | 95.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.1 | -175.9 | -58.6 | 176.8 | 0 | 0 | 0 | 112.5 | T77 T78 K79 L80 L108 H112 G159 | T77-L110 HydrophobicContact CG2-CD1 3.86Å; T77-L110 HydrophobicContact CG2-CG 4.11Å; T78-L110 PolarHBondContact O-N 3.01Å; K79-L110 CarbonylContact C-O 3.58Å; K79-L110 WeakPolarHBondContact CA-O 3.19Å; K79-L110 HydrophobicContact CB-CB 4.3Å; K79-L110 HydrophobicContact CD-CB 4.49Å; K79-L110 HydrophobicContact CD-CD1 4.36Å; K79-L110 HydrophobicContact CG-CB 4.06Å; K79-L110 HydrophobicContact CG-CD1 4.42Å; L80-L110 PolarHBondContact N-O 2.91Å; L108-L110 HydrophobicContact CD1-CD2 3.89Å; L108-L110 HydrophobicContact CD2-CD2 3.97Å; L108-L110 HydrophobicContact CD2-CG 4.34Å; L108-L110 HydrophobicContact CG-CD2 3.82Å; L108-L110 HydrophobicContact CG-CG 4.13Å; L110-H112 PolarHBondContact O-N 3.14Å; L110-G159 CarbonylContact C-O 3.52Å; L110-G159 VanDerWaalsContact CA-O 3.29Å; L110-G159 WeakPolarHBondContact CA-O 3.49Å; L110-G159 VanDerWaalsContact CD2-C 3.48Å |
| 111 | V | 93.7 | Very high | 86.7 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 110 | 162.2 | -175.2 | 0 | 0 | 0 | 0 | 108 | L80 T113 T142 M146 G159 L160 S161 F163 | L80-V111 HydrophobicContact CD2-CG1 4.46Å; L80-V111 HydrophobicContact CD2-CG2 4.41Å; V111-T113 VanDerWaalsContact C-N 3.3Å; V111-T113 WeakPolarHBondContact CG1-O 3.39Å; V111-T113 PolarHBondContact O-N 3.4Å; V111-T142 HydrophobicContact CG1-CG2 4.2Å; V111-T142 HydrophobicContact CG2-CG2 4.13Å; V111-M146 HydrophobicContact CG2-CE 3.91Å; V111-M146 HydrophobicContact CG2-CG 3.74Å; V111-M146 HydrophobicContact CG2-SD 3.78Å; V111-G159 PolarHBondContact N-O 3.3Å; V111-L160 HydrophobicContact CB-CD2 4.09Å; V111-L160 HydrophobicContact CG2-CD2 4.01Å; V111-S161 WeakPolarHBondContact O-CA 2.95Å; V111-S161 VanDerWaalsContact O-CB 3.31Å; V111-S161 WeakPolarHBondContact O-CB 3.41Å; V111-S161 PolarHBondContact O-N 2.92Å; V111-F163 HydrophobicContact CB-CE2 4.02Å; V111-F163 HydrophobicContact CB-CZ 4.16Å; V111-F163 HydrophobicContact CG1-CE2 3.86Å; V111-F163 HydrophobicContact CG1-CZ 3.77Å |
| 112 | H | 91 | Very high | 84.6 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 10% | 0.102 | 26% | 0.258 | C | S | . | . | trans | -66.2 | -29.2 | -166.5 | -161.1 | 168.3 | 0 | 0 | 0 | 113.9 | Y50 K79 L80 L110 S161 N162 | Y50-H112 AromaticContact CE1-CE1 3.59Å; Y50-H112 AromaticContact CE1-NE2 3.81Å; K79-H112 HydrophobicContact CB-CB 3.68Å; L80-H112 WeakPolarHBondContact O-CB 3.29Å; L110-H112 PolarHBondContact O-N 3.14Å; H112-S161 CarbonylContact C-O 3.54Å; H112-N162 PolarHBondContact O-ND2 3.4Å | ||
| 113 | T | 84.6 | Confident | 82.7 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 27% | 0.27 | 25% | 0.254 | S | S | . | . | trans | -153.5 | 149.2 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 108.5 | A82 H85 V111 M115 S161 | A82-T113 HydrophobicContact CB-CG2 3.89Å; H85-T113 PolarHBondContact CE1-O 3.3Å; H85-T113 PolarHBondContact NE2-O 2.6Å; V111-T113 VanDerWaalsContact C-N 3.3Å; V111-T113 WeakPolarHBondContact CG1-O 3.39Å; V111-T113 PolarHBondContact O-N 3.4Å; T113-M115 WeakPolarHBondContact CG2-O 3.38Å; T113-M115 PolarHBondContact O-N 2.81Å; T113-M115 PolarHBondContact OG1-N 3.46Å; T113-S161 WeakPolarHBondContact CA-O 3.46Å | ||
| 114 | P | 80.9 | Confident | 81 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -64.9 | -20.7 | 172 | 24.6 | -34 | 0 | 0 | 0 | 113.9 | G116 H139 N162 F163 | P114-G116 PolarHBondContact O-N 3Å; P114-H139 PolarHBondContact O-CE1 3.31Å; P114-H139 PolarHBondContact O-ND1 2.86Å; P114-N162 WeakPolarHBondContact CD-O 3.43Å; P114-N162 WeakPolarHBondContact CG-O 3.18Å; P114-F163 VanDerWaalsContact CA-CZ 3.41Å; P114-F163 HydrophobicContact CB-CD1 4.13Å; P114-F163 HydrophobicContact CB-CD2 4.28Å; P114-F163 HydrophobicContact CB-CE1 3.75Å; P114-F163 HydrophobicContact CB-CE2 3.96Å; P114-F163 HydrophobicContact CB-CG 4.36Å; P114-F163 HydrophobicContact CB-CZ 3.67Å; P114-F163 HydrophobicContact CG-CD2 4.45Å; P114-F163 HydrophobicContact CG-CE2 4.44Å |
| 115 | M | 77.4 | Confident | 79.6 | Confident | 106 Ų | 106 | 48.4 Ų | 48.4 | 52% | 0.522 | 25% | 0.249 | S | C | . | . | trans | -89.2 | 109.4 | -175.9 | -168.5 | 67 | 79.7 | 0 | 0 | 112.1 | T113 P134 | T113-M115 WeakPolarHBondContact CG2-O 3.38Å; T113-M115 PolarHBondContact O-N 2.81Å; T113-M115 PolarHBondContact OG1-N 3.46Å; M115-P134 HydrophobicContact CG-CB 4.42Å; M115-P134 HydrophobicContact SD-CB 3.57Å; M115-P134 VanDerWaalsContact SD-CB 3.57Å | ||
| 116 | G | 80.6 | Confident | 78 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -71 | 140.9 | 164 | 0 | 0 | 0 | 0 | 0 | 111 | A82 P114 P134 D135 | A82-G116 CarbonylContact O-C 3.6Å; A82-G116 WeakPolarHBondContact O-CA 3.48Å; P114-G116 PolarHBondContact O-N 3Å; G116-P134 CarbonylContact O-C 3.56Å; G116-P134 WeakPolarHBondContact O-CA 3.29Å; G116-D135 PolarHBondContact O-N 2.88Å | ||
| 117 | N | 81.9 | Confident | 76.1 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -106.8 | 132 | 174.6 | -76.3 | -33.8 | 0 | 0 | 0 | 110 | A82 C119 L125 C132 | A82-N117 HydrophobicContact CB-CB 4.44Å; A82-N117 PolarHBondContact O-N 2.91Å; N117-C119 PolarHBondContact O-N 3.07Å; N117-L125 HydrophobicContact CB-CD2 3.55Å; N117-C132 HydrophobicContact CB-CB 4.33Å |
| 118 | K | 75.2 | Confident | 73.8 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | trans | -67.7 | 129.9 | -179.8 | -173.1 | 171.8 | -177.8 | -91.9 | 0 | 110.1 | D126 L133 D135 | K118-D126 HydrophobicContact CB-CB 4.42Å; K118-D126 HydrophobicContact CG-CB 4.35Å; K118-D126 IonicContact NZ-OD2 2.73Å; K118-D126 PolarHBondContact NZ-OD2 2.9Å; K118-D126 PolarHBondContact O-N 2.99Å; K118-L133 HydrophobicContact CB-CB 4.19Å; K118-L133 WeakPolarHBondContact CB-O 3.41Å; K118-L133 PolarHBondContact N-O 2.92Å; K118-D135 HydrophobicContact CB-CB 4.27Å | ||
| 119 | C | 66.5 | Low | 71.2 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -114.9 | 152.5 | 170.3 | -80.2 | 0 | 0 | 0 | 0 | 111.4 | N117 T124 | N117-C119 PolarHBondContact O-N 3.07Å; C119-T124 CarbonylContact C-O 3.45Å; C119-T124 WeakPolarHBondContact CA-O 3.46Å; C119-T124 VanDerWaalsContact CB-O 3.31Å; C119-T124 WeakPolarHBondContact CB-O 3.49Å; C119-T124 PolarHBondContact SG-O 3.41Å; C119-T124 VanDerWaalsContact SG-O 3.39Å |
| 120 | S | 62.3 | Low | 68.8 | Low | 36 Ų | 36 | 68.6 Ų | 68.6 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | trans | -68 | 166.5 | 164.9 | 78.7 | 0 | 0 | 0 | 0 | 111.1 | R122 G123 T124 D126 | S120-R122 PolarHBondContact O-N 3.4Å; S120-R122 PolarHBondContact OG-N 2.83Å; S120-G123 PolarHBondContact O-N 2.92Å; S120-T124 PolarHBondContact N-O 3Å; S120-T124 PolarHBondContact OG-OG1 2.86Å; S120-D126 PolarHBondContact N-OD1 3.47Å | ||
| 121 | D | 59.8 | Low | 66.3 | Low | 178 Ų | 178 | 77.2 Ų | 77.2 | 95% | 0.952 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -9.7 | 173.9 | -51.8 | -38.4 | 0 | 0 | 0 | 113.8 | ||
| 122 | R | 55.4 | Low | 64.7 | Low | 232 Ų | 232 | 78.8 Ų | 78.8 | 88% | 0.875 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 4.3 | 176 | -58.7 | -174.1 | -178.7 | -172.5 | 1.1 | 113.9 | S120 T124 | S120-R122 PolarHBondContact O-N 3.4Å; S120-R122 PolarHBondContact OG-N 2.83Å; R122-T124 VanDerWaalsContact C-N 3.28Å; R122-T124 PolarHBondContact O-N 3.02Å |
| 123 | G | 54.1 | Low | 63.5 | Low | 32 Ų | 32 | 80.9 Ų | 80.9 | 33% | 0.33 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 76.6 | 7.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K83 S120 | K83-G123 PolarHBondContact NZ-O 3.28Å; S120-G123 PolarHBondContact O-N 2.92Å |
| 124 | T | 61.7 | Low | 62.6 | Low | 82 Ų | 82 | 82.3 Ų | 82.3 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | trans | -77.6 | 143.7 | 168.4 | 61.2 | 0 | 0 | 0 | 0 | 109.6 | C119 S120 R122 | C119-T124 CarbonylContact C-O 3.45Å; C119-T124 WeakPolarHBondContact CA-O 3.46Å; C119-T124 VanDerWaalsContact CB-O 3.31Å; C119-T124 WeakPolarHBondContact CB-O 3.49Å; C119-T124 PolarHBondContact SG-O 3.41Å; C119-T124 VanDerWaalsContact SG-O 3.39Å; S120-T124 PolarHBondContact N-O 3Å; S120-T124 PolarHBondContact OG-OG1 2.86Å; R122-T124 VanDerWaalsContact C-N 3.28Å; R122-T124 PolarHBondContact O-N 3.02Å | ||
| 125 | L | 65.5 | Low | 62.4 | Low | 54 Ų | 54 | 82.4 Ų | 82.4 | 28% | 0.283 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -67.5 | 137.4 | 173.4 | -72.6 | 156.7 | 0 | 0 | 0 | 110.1 | K83 N117 I127 C132 | K83-L125 HydrophobicContact CG-CD2 4.1Å; N117-L125 HydrophobicContact CB-CD2 3.55Å; L125-I127 HydrophobicContact CB-CD1 4.45Å; L125-I127 HydrophobicContact CB-CG1 4.05Å; L125-I127 PolarHBondContact O-N 3.13Å; L125-C132 HydrophobicContact CD2-CB 4.49Å |
| 126 | D | 63.2 | Low | 62.3 | Low | 38 Ų | 38 | 83.3 Ų | 83.3 | 20% | 0.203 | 44% | 0.44 | C | S | . | . | trans | -78.3 | 97.5 | 168.4 | -78.6 | 0.2 | 0 | 0 | 0 | 108.3 | K118 S120 L133 | K118-D126 HydrophobicContact CB-CB 4.42Å; K118-D126 HydrophobicContact CG-CB 4.35Å; K118-D126 IonicContact NZ-OD2 2.73Å; K118-D126 PolarHBondContact NZ-OD2 2.9Å; K118-D126 PolarHBondContact O-N 2.99Å; S120-D126 PolarHBondContact N-OD1 3.47Å; D126-L133 HydrophobicContact CB-CB 4.44Å; D126-L133 HydrophobicContact CB-CD1 4.21Å; D126-L133 PolarHBondContact O-N 3.27Å | ||
| 127 | I | 58.4 | Low | 62.3 | Low | 93 Ų | 93 | 84.2 Ų | 84.2 | 48% | 0.477 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.5 | 177.8 | -58.3 | 176.6 | 0 | 0 | 0 | 109 | L125 R131 | L125-I127 HydrophobicContact CB-CD1 4.45Å; L125-I127 HydrophobicContact CB-CG1 4.05Å; L125-I127 PolarHBondContact O-N 3.13Å; I127-R131 WeakPolarHBondContact CA-O 3.5Å |
| 128 | V | 49 | Very low | 62.3 | Low | 74 Ų | 74 | 85.6 Ų | 85.6 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.7 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | D130 R131 L133 | V128-D130 VanDerWaalsContact C-N 3.31Å; V128-D130 PolarHBondContact O-N 3.41Å; V128-R131 PolarHBondContact N-O 3.45Å; V128-R131 PolarHBondContact O-N 2.97Å; V128-R131 VanDerWaalsContact O-N 3.16Å; V128-L133 HydrophobicContact CB-CD2 4.19Å; V128-L133 HydrophobicContact CB-CG 4.41Å; V128-L133 HydrophobicContact CG2-CD1 3.87Å; V128-L133 HydrophobicContact CG2-CD2 4.22Å; V128-L133 HydrophobicContact CG2-CG 4.02Å |
| 129 | N | 41.8 | Very low | 62.7 | Low | 144 Ų | 144 | 83.7 Ų | 83.7 | 77% | 0.77 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 50.5 | -177.4 | -55.8 | -18.2 | 0 | 0 | 0 | 112.5 | R131 | N129-R131 PolarHBondContact O-N 3.18Å; N129-R131 VanDerWaalsContact O-N 3.17Å |
| 130 | D | 46.9 | Very low | 63.6 | Low | 134 Ų | 134 | 85.1 Ų | 85.1 | 72% | 0.717 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.6 | -179.5 | -55.8 | -49.5 | 0 | 0 | 0 | 114.8 | V128 M217 | V128-D130 VanDerWaalsContact C-N 3.31Å; V128-D130 PolarHBondContact O-N 3.41Å; D130-M217 WeakPolarHBondContact O-CE 3.4Å |
| 131 | R | 42.3 | Very low | 64.9 | Low | 188 Ų | 188 | 87 Ų | 87 | 71% | 0.709 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.3 | 169.3 | -58.6 | 179.2 | -166.2 | -169.6 | 1 | 109.8 | I127 V128 N129 L133 | I127-R131 WeakPolarHBondContact CA-O 3.5Å; V128-R131 PolarHBondContact N-O 3.45Å; V128-R131 PolarHBondContact O-N 2.97Å; V128-R131 VanDerWaalsContact O-N 3.16Å; N129-R131 PolarHBondContact O-N 3.18Å; N129-R131 VanDerWaalsContact O-N 3.17Å; R131-L133 PolarHBondContact O-N 3.31Å |
| 132 | C | 61.1 | Low | 66.4 | Low | 35 Ų | 35 | 78.7 Ų | 78.7 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 132.2 | 167.5 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | N117 L125 | N117-C132 HydrophobicContact CB-CB 4.33Å; L125-C132 HydrophobicContact CD2-CB 4.49Å |
| 133 | L | 65.1 | Low | 68.2 | Low | 67 Ų | 67 | 68.3 Ų | 68.3 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 135.6 | 170.2 | -67 | -177.7 | 0 | 0 | 0 | 109.6 | K118 D126 V128 R131 | K118-L133 HydrophobicContact CB-CB 4.19Å; K118-L133 WeakPolarHBondContact CB-O 3.41Å; K118-L133 PolarHBondContact N-O 2.92Å; D126-L133 HydrophobicContact CB-CB 4.44Å; D126-L133 HydrophobicContact CB-CD1 4.21Å; D126-L133 PolarHBondContact O-N 3.27Å; V128-L133 HydrophobicContact CB-CD2 4.19Å; V128-L133 HydrophobicContact CB-CG 4.41Å; V128-L133 HydrophobicContact CG2-CD1 3.87Å; V128-L133 HydrophobicContact CG2-CD2 4.22Å; V128-L133 HydrophobicContact CG2-CG 4.02Å; R131-L133 PolarHBondContact O-N 3.31Å |
| 134 | P | 66.6 | Low | 70 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 145.1 | 174.5 | 30 | -35 | 0 | 0 | 0 | 111.2 | M115 G116 | M115-P134 HydrophobicContact CG-CB 4.42Å; M115-P134 HydrophobicContact SD-CB 3.57Å; M115-P134 VanDerWaalsContact SD-CB 3.57Å; G116-P134 CarbonylContact O-C 3.56Å; G116-P134 WeakPolarHBondContact O-CA 3.29Å |
| 135 | D | 75.2 | Confident | 71.5 | Confident | 19 Ų | 19 | 66.4 Ų | 66.4 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 120.1 | 170.8 | -160.2 | 26.5 | 0 | 0 | 0 | 109 | R86 G116 K118 V137 | R86-D135 IonicContact CZ-OD1 2.59Å; R86-D135 IonicContact CZ-OD2 3.74Å; R86-D135 IonicContact NE-OD1 3.79Å; R86-D135 IonicContact NE-OD2 2.7Å; R86-D135 PolarHBondContact NE-OD2 2.66Å; R86-D135 IonicContact NH2-OD1 3.87Å; R86-D135 PolarHBondContact NH2-OD1 3.34Å; R86-D135 IonicContact NH2-OD2 3.22Å; R86-D135 PolarHBondContact NH2-OD2 2.87Å; G116-D135 PolarHBondContact O-N 2.88Å; K118-D135 HydrophobicContact CB-CB 4.27Å; D135-V137 HydrophobicContact CB-CG2 4.23Å; D135-V137 PolarHBondContact O-N 2.95Å; D135-V137 VanDerWaalsContact OD2-CG2 3.26Å; D135-V137 WeakPolarHBondContact OD2-CG2 3.5Å |
| 136 | P | 75.7 | Confident | 72.9 | Confident | 125 Ų | 125 | 63.8 Ų | 63.8 | 81% | 0.812 | 34% | 0.335 | S | S | * | . | trans | -79.7 | 51.2 | -171.1 | 33.6 | -37.4 | 0 | 0 | 0 | 113.2 | ||||
| 137 | V | 80.3 | Confident | 74.3 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | trans | -84.8 | 130.1 | 178 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | H85 R86 D135 E141 | H85-V137 HydrophobicContact CB-CB 4.35Å; H85-V137 HydrophobicContact CB-CG1 4.48Å; H85-V137 HydrophobicContact CB-CG2 4.41Å; R86-V137 HydrophobicContact CG-CG2 3.66Å; D135-V137 HydrophobicContact CB-CG2 4.23Å; D135-V137 PolarHBondContact O-N 2.95Å; D135-V137 VanDerWaalsContact OD2-CG2 3.26Å; D135-V137 WeakPolarHBondContact OD2-CG2 3.5Å; V137-E141 HydrophobicContact CG1-CB 3.95Å; V137-E141 HydrophobicContact CG1-CG 4.3Å | ||
| 138 | D | 83.1 | Confident | 76.1 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | trans | -66.8 | 133.9 | 173.1 | -168 | -39.6 | 0 | 0 | 0 | 109.3 | L140 E141 T142 R170 | D138-L140 PolarHBondContact O-N 3.13Å; D138-L140 PolarHBondContact OD1-N 2.83Å; D138-E141 WeakPolarHBondContact O-CB 3.48Å; D138-E141 PolarHBondContact O-N 3.14Å; D138-T142 PolarHBondContact O-N 3.01Å; D138-R170 IonicContact OD1-CZ 2.84Å; D138-R170 IonicContact OD1-NE 3.46Å; D138-R170 PolarHBondContact OD1-NE 3.34Å; D138-R170 IonicContact OD1-NH2 2.73Å; D138-R170 IonicContact OD2-CZ 2.72Å; D138-R170 IonicContact OD2-NE 2.73Å; D138-R170 IonicContact OD2-NH2 2.95Å; D138-R170 PolarHBondContact OD2-NH2 2.93Å | ||
| 139 | H | 83.9 | Confident | 78.4 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.181 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.7 | -25 | 179.5 | -49.5 | -30.9 | 0 | 0 | 0 | 112.7 | P114 T142 W143 F163 I171 | P114-H139 PolarHBondContact O-CE1 3.31Å; P114-H139 PolarHBondContact O-ND1 2.86Å; H139-T142 PolarHBondContact O-N 3.03Å; H139-W143 WeakPolarHBondContact O-CB 3.37Å; H139-W143 PolarHBondContact O-N 3.2Å; H139-F163 HydrophobicContact CB-CE1 4.36Å; H139-F163 AromaticContact CD2-CE1 3.99Å; H139-I171 HydrophobicContact CB-CD1 3.6Å; H139-I171 HydrophobicContact CB-CG1 4.09Å |
| 140 | L | 84.9 | Confident | 80.9 | Confident | 53 Ų | 53 | 56 Ų | 56 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -32.1 | 171.8 | -80.1 | -178.6 | 0 | 0 | 0 | 114 | D138 Q144 R170 | D138-L140 PolarHBondContact O-N 3.13Å; D138-L140 PolarHBondContact OD1-N 2.83Å; L140-Q144 VanDerWaalsContact O-CG 3.26Å; L140-Q144 WeakPolarHBondContact O-CG 3Å; L140-Q144 PolarHBondContact O-N 3Å; L140-R170 WeakPolarHBondContact CD2-O 3.29Å |
| 141 | E | 88.9 | Confident | 83.1 | Confident | 76 Ų | 76 | 55.7 Ų | 55.7 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.9 | -45.8 | 174.9 | -176.7 | -173.5 | 143.5 | 0 | 0 | 110.1 | R86 R87 V137 D138 W143 Q144 G145 | R86-E141 WeakPolarHBondContact CA-OE1 3.22Å; R87-E141 HydrophobicContact CB-CG 3.72Å; R87-E141 PolarHBondContact N-OE1 2.79Å; V137-E141 HydrophobicContact CG1-CB 3.95Å; V137-E141 HydrophobicContact CG1-CG 4.3Å; D138-E141 WeakPolarHBondContact O-CB 3.48Å; D138-E141 PolarHBondContact O-N 3.14Å; E141-W143 VanDerWaalsContact C-N 3.3Å; E141-W143 PolarHBondContact O-N 2.74Å; E141-Q144 PolarHBondContact O-N 3.26Å; E141-G145 PolarHBondContact O-N 3.41Å |
| 142 | T | 91.7 | Very high | 85.6 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -46 | 173.7 | -48.1 | 0 | 0 | 0 | 0 | 110.6 | L80 H85 V90 V111 D138 H139 Q144 G145 M146 | L80-T142 HydrophobicContact CD2-CG2 3.52Å; H85-T142 HydrophobicContact CB-CG2 4.45Å; H85-T142 PolarHBondContact ND1-OG1 3.36Å; H85-T142 VanDerWaalsContact O-CA 3.3Å; H85-T142 WeakPolarHBondContact O-CA 3.03Å; H85-T142 VanDerWaalsContact O-CB 3.32Å; H85-T142 WeakPolarHBondContact O-CB 3.26Å; H85-T142 PolarHBondContact O-OG1 3.35Å; V90-T142 HydrophobicContact CG2-CG2 4.36Å; V111-T142 HydrophobicContact CG1-CG2 4.2Å; V111-T142 HydrophobicContact CG2-CG2 4.13Å; D138-T142 PolarHBondContact O-N 3.01Å; H139-T142 PolarHBondContact O-N 3.03Å; T142-Q144 PolarHBondContact O-N 3.23Å; T142-G145 WeakPolarHBondContact O-CA 3.3Å; T142-G145 PolarHBondContact O-N 2.8Å; T142-M146 WeakPolarHBondContact O-CG 3.27Å; T142-M146 PolarHBondContact O-N 3.28Å; T142-M146 VanDerWaalsContact O-N 3.08Å |
| 143 | W | 93.3 | Very high | 87.1 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 179.5 | -168.3 | -107 | 0 | 0 | 0 | 113.3 | H139 E141 G145 M146 E147 I158 L160 I171 D173 | H139-W143 WeakPolarHBondContact O-CB 3.37Å; H139-W143 PolarHBondContact O-N 3.2Å; E141-W143 VanDerWaalsContact C-N 3.3Å; E141-W143 PolarHBondContact O-N 2.74Å; W143-G145 PolarHBondContact O-N 2.99Å; W143-M146 HydrophobicContact CE3-CB 4.18Å; W143-M146 HydrophobicContact CE3-CG 4.08Å; W143-M146 CarbonylContact O-C 3.53Å; W143-M146 WeakPolarHBondContact O-CA 3.43Å; W143-M146 VanDerWaalsContact O-CB 3.27Å; W143-M146 WeakPolarHBondContact O-CB 3.32Å; W143-M146 PolarHBondContact O-N 3.35Å; W143-E147 WeakPolarHBondContact O-CG 2.72Å; W143-E147 PolarHBondContact O-N 2.98Å; W143-I158 HydrophobicContact CD2-CD1 4.44Å; W143-I158 HydrophobicContact CH2-CB 4.17Å; W143-I158 HydrophobicContact CH2-CD1 3.79Å; W143-I158 HydrophobicContact CH2-CG1 3.72Å; W143-I158 HydrophobicContact CZ2-CD1 3.49Å; W143-I158 VanDerWaalsContact CZ2-CD1 3.49Å; W143-I158 HydrophobicContact CZ2-CG1 3.81Å; W143-I158 HydrophobicContact CZ3-CD1 4.36Å; W143-I158 HydrophobicContact CZ3-CG1 4.44Å; W143-L160 HydrophobicContact CE3-CD2 3.75Å; W143-L160 HydrophobicContact CZ3-CD2 3.57Å; W143-L160 HydrophobicContact CZ3-CG 3.94Å; W143-I171 HydrophobicContact CB-CG2 3.94Å; W143-I171 HydrophobicContact CD2-CG2 3.27Å; W143-I171 HydrophobicContact CE3-CG2 3.63Å; W143-I171 HydrophobicContact CG-CG2 3.41Å; W143-I171 VanDerWaalsContact CG-CG2 3.41Å; W143-I171 HydrophobicContact CZ2-CG2 4.28Å; W143-I171 HydrophobicContact CZ3-CG2 4.26Å; W143-D173 HydrophobicContact CH2-CB 4.27Å; W143-D173 WeakPolarHBondContact CH2-O 3.43Å; W143-D173 HydrophobicContact CZ2-CB 3.8Å |
| 144 | Q | 90.7 | Very high | 88.6 | Confident | 73 Ų | 73 | 51 Ų | 51 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -29.9 | 173.2 | -74.4 | 170.1 | 19 | 0 | 0 | 112.8 | L140 E141 T142 D148 | L140-Q144 VanDerWaalsContact O-CG 3.26Å; L140-Q144 WeakPolarHBondContact O-CG 3Å; L140-Q144 PolarHBondContact O-N 3Å; E141-Q144 PolarHBondContact O-N 3.26Å; T142-Q144 PolarHBondContact O-N 3.23Å; Q144-D148 WeakPolarHBondContact O-CB 3.38Å; Q144-D148 VanDerWaalsContact O-CG 3.24Å; Q144-D148 PolarHBondContact O-N 3.41Å |
| 145 | G | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.1 | -36.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E141 T142 W143 D148 V149 | E141-G145 PolarHBondContact O-N 3.41Å; T142-G145 WeakPolarHBondContact O-CA 3.3Å; T142-G145 PolarHBondContact O-N 2.8Å; W143-G145 PolarHBondContact O-N 2.99Å; G145-D148 PolarHBondContact O-N 2.94Å; G145-V149 PolarHBondContact O-N 3.08Å; G145-V149 VanDerWaalsContact O-N 3.14Å |
| 146 | M | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 173.1 | -55.8 | -64.9 | -73.4 | 0 | 0 | 110.7 | L80 V90 F109 V111 T142 W143 V149 M150 I158 | L80-M146 HydrophobicContact CD2-SD 4.04Å; V90-M146 HydrophobicContact CG1-CG 4.4Å; V90-M146 HydrophobicContact CG1-SD 3.64Å; F109-M146 HydrophobicContact CB-CE 4.14Å; F109-M146 HydrophobicContact CD1-CE 3.37Å; F109-M146 HydrophobicContact CD1-SD 3.65Å; F109-M146 HydrophobicContact CE1-CE 3.96Å; F109-M146 HydrophobicContact CE1-SD 3.68Å; F109-M146 HydrophobicContact CG-CE 3.84Å; F109-M146 WeakPolarHBondContact O-CE 3.35Å; V111-M146 HydrophobicContact CG2-CE 3.91Å; V111-M146 HydrophobicContact CG2-CG 3.74Å; V111-M146 HydrophobicContact CG2-SD 3.78Å; T142-M146 WeakPolarHBondContact O-CG 3.27Å; T142-M146 PolarHBondContact O-N 3.28Å; T142-M146 VanDerWaalsContact O-N 3.08Å; W143-M146 HydrophobicContact CE3-CB 4.18Å; W143-M146 HydrophobicContact CE3-CG 4.08Å; W143-M146 CarbonylContact O-C 3.53Å; W143-M146 WeakPolarHBondContact O-CA 3.43Å; W143-M146 VanDerWaalsContact O-CB 3.27Å; W143-M146 WeakPolarHBondContact O-CB 3.32Å; W143-M146 PolarHBondContact O-N 3.35Å; M146-V149 WeakPolarHBondContact O-CG2 3.1Å; M146-V149 PolarHBondContact O-N 2.67Å; M146-M150 PolarHBondContact O-N 3.07Å; M146-M150 VanDerWaalsContact O-N 3.08Å; M146-I158 HydrophobicContact CB-CB 4.17Å; M146-I158 HydrophobicContact CB-CD1 3.87Å; M146-I158 HydrophobicContact CB-CG2 3.97Å; M146-I158 HydrophobicContact CE-CB 4.37Å; M146-I158 HydrophobicContact CE-CG2 4.28Å |
| 147 | E | 93.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 45.8 Ų | 45.8 | 36% | 0.36 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 173.9 | -67 | 177.1 | 142.1 | 0 | 0 | 111.4 | W143 V149 M150 N151 I158 | W143-E147 WeakPolarHBondContact O-CG 2.72Å; W143-E147 PolarHBondContact O-N 2.98Å; E147-V149 PolarHBondContact O-N 2.93Å; E147-M150 PolarHBondContact O-N 2.72Å; E147-N151 WeakPolarHBondContact O-CB 3.48Å; E147-N151 VanDerWaalsContact O-CG 3.23Å; E147-N151 PolarHBondContact O-N 2.88Å; E147-N151 PolarHBondContact O-ND2 2.99Å; E147-I158 HydrophobicContact CG-CD1 4.02Å |
| 148 | D | 95.9 | Very high | 92.6 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.1 | -43.2 | 177.6 | -78.2 | -20.4 | 0 | 0 | 0 | 112.6 | R87 Q144 G145 K152 | R87-D148 IonicContact CZ-OD1 3.85Å; R87-D148 IonicContact CZ-OD2 3.24Å; R87-D148 IonicContact NE-OD2 3.09Å; R87-D148 PolarHBondContact NE-OD2 3.43Å; R87-D148 IonicContact NH2-OD1 2.79Å; R87-D148 PolarHBondContact NH2-OD1 2.75Å; R87-D148 IonicContact NH2-OD2 2.74Å; R87-D148 PolarHBondContact NH2-OD2 3.08Å; Q144-D148 WeakPolarHBondContact O-CB 3.38Å; Q144-D148 VanDerWaalsContact O-CG 3.24Å; Q144-D148 PolarHBondContact O-N 3.41Å; G145-D148 PolarHBondContact O-N 2.94Å; D148-K152 WeakPolarHBondContact O-CB 3.48Å; D148-K152 VanDerWaalsContact O-CG 3.24Å; D148-K152 WeakPolarHBondContact O-CG 3.27Å; D148-K152 PolarHBondContact O-N 3.18Å |
| 149 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.8 | -30.8 | 179.8 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | E91 L94 F109 G145 M146 E147 K152 G153 L154 T155 | E91-V149 VanDerWaalsContact CA-CG1 3.49Å; E91-V149 HydrophobicContact CB-CG1 3.72Å; E91-V149 HydrophobicContact CG-CG1 4.18Å; L94-V149 HydrophobicContact CD2-CB 3.81Å; L94-V149 HydrophobicContact CD2-CG1 4.31Å; L94-V149 HydrophobicContact CD2-CG2 3.84Å; F109-V149 HydrophobicContact CD1-CG2 4Å; F109-V149 HydrophobicContact CE1-CG2 4.34Å; G145-V149 PolarHBondContact O-N 3.08Å; G145-V149 VanDerWaalsContact O-N 3.14Å; M146-V149 WeakPolarHBondContact O-CG2 3.1Å; M146-V149 PolarHBondContact O-N 2.67Å; E147-V149 PolarHBondContact O-N 2.93Å; V149-K152 PolarHBondContact O-N 3.28Å; V149-G153 PolarHBondContact O-N 3.07Å; V149-L154 HydrophobicContact CB-CB 4.43Å; V149-L154 HydrophobicContact CB-CD1 4.41Å; V149-L154 HydrophobicContact CG1-CD1 4.37Å; V149-L154 PolarHBondContact O-N 2.86Å; V149-L154 VanDerWaalsContact O-N 3.09Å; V149-T155 HydrophobicContact CG2-CG2 4.07Å |
| 150 | M | 95.1 | Very high | 93.4 | Very high | 56 Ų | 56 | 40 Ų | 40 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.8 | -44.5 | 172.1 | -170.8 | 177.8 | 64.7 | 0 | 0 | 111.1 | M146 E147 K152 G153 T155 I158 | M146-M150 PolarHBondContact O-N 3.07Å; M146-M150 VanDerWaalsContact O-N 3.08Å; E147-M150 PolarHBondContact O-N 2.72Å; M150-K152 PolarHBondContact O-N 2.65Å; M150-G153 PolarHBondContact O-N 3.41Å; M150-T155 HydrophobicContact CB-CG2 3.91Å; M150-T155 HydrophobicContact CG-CG2 4.35Å; M150-I158 HydrophobicContact CB-CG2 4Å; M150-I158 HydrophobicContact CE-CD1 4.19Å; M150-I158 HydrophobicContact CE-CG1 4.33Å; M150-I158 HydrophobicContact SD-CD1 4.41Å; M150-I158 HydrophobicContact SD-CG1 3.98Å; M150-I158 HydrophobicContact SD-CG2 4.36Å |
| 151 | N | 92.5 | Very high | 93.5 | Very high | 129 Ų | 129 | 37.5 Ų | 37.5 | 69% | 0.69 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -64 | -25.1 | 176 | -72.4 | -41.2 | 0 | 0 | 0 | 112.8 | E147 G153 | E147-N151 WeakPolarHBondContact O-CB 3.48Å; E147-N151 VanDerWaalsContact O-CG 3.23Å; E147-N151 PolarHBondContact O-N 2.88Å; E147-N151 PolarHBondContact O-ND2 2.99Å; N151-G153 VanDerWaalsContact C-N 3.32Å |
| 152 | K | 94.9 | Very high | 93.2 | Very high | 114 Ų | 114 | 36.4 Ų | 36.4 | 50% | 0.496 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4.1 | 171 | -72.7 | 172.2 | -178.3 | -169.7 | 0 | 114.2 | E91 D148 V149 M150 L154 | E91-K152 IonicContact OE1-NZ 2.8Å; E91-K152 PolarHBondContact OE1-NZ 3.03Å; E91-K152 VanDerWaalsContact OE1-NZ 3.08Å; E91-K152 IonicContact OE2-NZ 3.81Å; E91-K152 PolarHBondContact OE2-NZ 2.76Å; D148-K152 WeakPolarHBondContact O-CB 3.48Å; D148-K152 VanDerWaalsContact O-CG 3.24Å; D148-K152 WeakPolarHBondContact O-CG 3.27Å; D148-K152 PolarHBondContact O-N 3.18Å; V149-K152 PolarHBondContact O-N 3.28Å; M150-K152 PolarHBondContact O-N 2.65Å; K152-L154 VanDerWaalsContact C-N 3.27Å; K152-L154 HydrophobicContact CB-CD1 4.35Å; K152-L154 HydrophobicContact CB-CG 4.12Å; K152-L154 PolarHBondContact O-N 2.73Å |
| 153 | G | 93.4 | Very high | 92.8 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 6.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V149 M150 N151 T155 | V149-G153 PolarHBondContact O-N 3.07Å; M150-G153 PolarHBondContact O-N 3.41Å; N151-G153 VanDerWaalsContact C-N 3.32Å; G153-T155 VanDerWaalsContact C-N 3.25Å; G153-T155 PolarHBondContact O-N 2.76Å |
| 154 | L | 97.3 | Very high | 92 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -71.8 | -23.6 | 178.6 | -58.2 | 177.1 | 0 | 0 | 0 | 112 | E91 L94 L98 Y105 V106 V149 K152 | E91-L154 HydrophobicContact CG-CD1 4.2Å; L94-L154 HydrophobicContact CD2-CB 3.56Å; L94-L154 HydrophobicContact CG-CB 4.36Å; L98-L154 HydrophobicContact CD1-CB 4.19Å; L98-L154 HydrophobicContact CD1-CD2 4.18Å; Y105-L154 WeakPolarHBondContact CA-O 3.37Å; V106-L154 PolarHBondContact N-O 3.42Å; V149-L154 HydrophobicContact CB-CB 4.43Å; V149-L154 HydrophobicContact CB-CD1 4.41Å; V149-L154 HydrophobicContact CG1-CD1 4.37Å; V149-L154 PolarHBondContact O-N 2.86Å; V149-L154 VanDerWaalsContact O-N 3.09Å; K152-L154 VanDerWaalsContact C-N 3.27Å; K152-L154 HydrophobicContact CB-CD1 4.35Å; K152-L154 HydrophobicContact CB-CG 4.12Å; K152-L154 PolarHBondContact O-N 2.73Å |
| 155 | T | 97.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -133.9 | 147.5 | 166.3 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | L94 V106 F109 V149 M150 G153 A157 I158 | L94-T155 HydrophobicContact CD2-CG2 4.49Å; V106-T155 CarbonylContact O-C 3.54Å; V106-T155 VanDerWaalsContact O-CA 3.24Å; V106-T155 WeakPolarHBondContact O-CA 3.37Å; V106-T155 PolarHBondContact O-OG1 2.89Å; F109-T155 HydrophobicContact CB-CG2 3.98Å; F109-T155 PolarHBondContact N-OG1 3.43Å; V149-T155 HydrophobicContact CG2-CG2 4.07Å; M150-T155 HydrophobicContact CB-CG2 3.91Å; M150-T155 HydrophobicContact CG-CG2 4.35Å; G153-T155 VanDerWaalsContact C-N 3.25Å; G153-T155 PolarHBondContact O-N 2.76Å; T155-A157 WeakPolarHBondContact CG2-O 3.26Å; T155-A157 PolarHBondContact OG1-N 2.87Å; T155-A157 PolarHBondContact OG1-O 3.04Å; T155-I158 HydrophobicContact CG2-CG2 3.67Å |
| 156 | R | 94.5 | Very high | 90.3 | Very high | 105 Ų | 105 | 41.1 Ų | 41.1 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -85.3 | -20.5 | 175.9 | -64.4 | 173.9 | 63.5 | -159.8 | 8.4 | 113.7 | N10 V12 Y105 V106 D107 | N10-R156 PolarHBondContact ND2-O 3.41Å; V12-R156 HydrophobicContact CG2-CB 4.2Å; Y105-R156 HydrophobicContact CD2-CG 3.85Å; Y105-R156 HydrophobicContact CE2-CG 3.98Å; V106-R156 PolarHBondContact O-N 2.96Å; D107-R156 WeakPolarHBondContact OD1-CD 3.3Å; D107-R156 IonicContact OD1-CZ 3.03Å; D107-R156 IonicContact OD1-NE 3.62Å; D107-R156 IonicContact OD1-NH1 3.07Å; D107-R156 PolarHBondContact OD1-NH1 3.5Å |
| 157 | A | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -150.3 | 160.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L8 D107 L108 F109 T155 | L8-A157 HydrophobicContact CD1-CB 3.86Å; D107-A157 WeakPolarHBondContact O-CB 3.48Å; D107-A157 PolarHBondContact O-N 3.41Å; D107-A157 VanDerWaalsContact O-N 3.07Å; L108-A157 WeakPolarHBondContact CA-O 3.3Å; L108-A157 HydrophobicContact CD1-CB 3.88Å; F109-A157 PolarHBondContact N-O 2.84Å; T155-A157 WeakPolarHBondContact CG2-O 3.26Å; T155-A157 PolarHBondContact OG1-N 2.87Å; T155-A157 PolarHBondContact OG1-O 3.04Å | ||
| 158 | I | 94 | Very high | 89.1 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 163.2 | 176 | 56.8 | 176.2 | 0 | 0 | 0 | 110.9 | F109 W143 M146 E147 M150 T155 N174 | F109-I158 CarbonylContact O-C 3.56Å; F109-I158 VanDerWaalsContact O-CA 3.29Å; F109-I158 WeakPolarHBondContact O-CA 3.39Å; W143-I158 HydrophobicContact CD2-CD1 4.44Å; W143-I158 HydrophobicContact CH2-CB 4.17Å; W143-I158 HydrophobicContact CH2-CD1 3.79Å; W143-I158 HydrophobicContact CH2-CG1 3.72Å; W143-I158 HydrophobicContact CZ2-CD1 3.49Å; W143-I158 VanDerWaalsContact CZ2-CD1 3.49Å; W143-I158 HydrophobicContact CZ2-CG1 3.81Å; W143-I158 HydrophobicContact CZ3-CD1 4.36Å; W143-I158 HydrophobicContact CZ3-CG1 4.44Å; M146-I158 HydrophobicContact CB-CB 4.17Å; M146-I158 HydrophobicContact CB-CD1 3.87Å; M146-I158 HydrophobicContact CB-CG2 3.97Å; M146-I158 HydrophobicContact CE-CB 4.37Å; M146-I158 HydrophobicContact CE-CG2 4.28Å; E147-I158 HydrophobicContact CG-CD1 4.02Å; M150-I158 HydrophobicContact CB-CG2 4Å; M150-I158 HydrophobicContact CE-CD1 4.19Å; M150-I158 HydrophobicContact CE-CG1 4.33Å; M150-I158 HydrophobicContact SD-CD1 4.41Å; M150-I158 HydrophobicContact SD-CG1 3.98Å; M150-I158 HydrophobicContact SD-CG2 4.36Å; T155-I158 HydrophobicContact CG2-CG2 3.67Å; I158-N174 VanDerWaalsContact O-CB 3.26Å; I158-N174 WeakPolarHBondContact O-CB 3.38Å; I158-N174 PolarHBondContact O-ND2 3.39Å |
| 159 | G | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | -173.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F109 L110 V111 | F109-G159 PolarHBondContact O-N 3.27Å; F109-G159 VanDerWaalsContact O-N 3.09Å; L110-G159 CarbonylContact C-O 3.52Å; L110-G159 VanDerWaalsContact CA-O 3.29Å; L110-G159 WeakPolarHBondContact CA-O 3.49Å; L110-G159 VanDerWaalsContact CD2-C 3.48Å; V111-G159 PolarHBondContact N-O 3.3Å |
| 160 | L | 91.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.7 | -175 | -58.5 | 174.7 | 0 | 0 | 0 | 111 | V111 W143 F163 M168 I171 N174 C175 S176 | V111-L160 HydrophobicContact CB-CD2 4.09Å; V111-L160 HydrophobicContact CG2-CD2 4.01Å; W143-L160 HydrophobicContact CE3-CD2 3.75Å; W143-L160 HydrophobicContact CZ3-CD2 3.57Å; W143-L160 HydrophobicContact CZ3-CG 3.94Å; L160-F163 HydrophobicContact CB-CB 4.3Å; L160-F163 HydrophobicContact CB-CD1 4.5Å; L160-F163 HydrophobicContact CB-CD2 3.68Å; L160-F163 HydrophobicContact CB-CE2 4.1Å; L160-F163 HydrophobicContact CB-CG 3.91Å; L160-F163 HydrophobicContact CD1-CB 4.39Å; L160-F163 HydrophobicContact CD1-CD1 3.96Å; L160-F163 HydrophobicContact CD1-CE1 4.44Å; L160-F163 HydrophobicContact CD1-CG 4.07Å; L160-F163 HydrophobicContact CD2-CD1 4.21Å; L160-F163 HydrophobicContact CD2-CD2 4.24Å; L160-F163 HydrophobicContact CD2-CE1 3.93Å; L160-F163 HydrophobicContact CD2-CE2 3.94Å; L160-F163 HydrophobicContact CD2-CG 4.39Å; L160-F163 HydrophobicContact CD2-CZ 3.77Å; L160-F163 HydrophobicContact CG-CD1 4.46Å; L160-F163 HydrophobicContact CG-CD2 4.38Å; L160-F163 HydrophobicContact CG-CG 4.35Å; L160-M168 HydrophobicContact CD1-CG 3.98Å; L160-I171 HydrophobicContact CD1-CB 4.26Å; L160-I171 HydrophobicContact CD1-CD1 3.89Å; L160-I171 HydrophobicContact CD1-CG2 4.2Å; L160-I171 HydrophobicContact CD2-CD1 3.91Å; L160-I171 HydrophobicContact CD2-CG2 4.38Å; L160-N174 WeakPolarHBondContact CB-O 3.29Å; L160-N174 PolarHBondContact N-O 3.28Å; L160-C175 CarbonylContact O-C 3.56Å; L160-C175 WeakPolarHBondContact O-CA 3.19Å; L160-S176 PolarHBondContact O-N 3.44Å |
| 161 | S | 86.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 132.4 | 170.7 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | V111 H112 T113 F163 S176 | V111-S161 WeakPolarHBondContact O-CA 2.95Å; V111-S161 VanDerWaalsContact O-CB 3.31Å; V111-S161 WeakPolarHBondContact O-CB 3.41Å; V111-S161 PolarHBondContact O-N 2.92Å; H112-S161 CarbonylContact C-O 3.54Å; T113-S161 WeakPolarHBondContact CA-O 3.46Å; S161-F163 WeakPolarHBondContact O-CD2 3.24Å; S161-F163 WeakPolarHBondContact O-CE2 3.44Å; S161-S176 CarbonylContact C-O 3.6Å; S161-S176 VanDerWaalsContact CA-O 3.22Å; S161-S176 WeakPolarHBondContact CA-O 3.31Å |
| 162 | N | 82.9 | Confident | 85.7 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 67.5 | 33.5 | -177.8 | -53.5 | -64.3 | 0 | 0 | 0 | 115.2 | H112 P114 S176 Y202 | H112-N162 PolarHBondContact O-ND2 3.4Å; P114-N162 WeakPolarHBondContact CD-O 3.43Å; P114-N162 WeakPolarHBondContact CG-O 3.18Å; N162-S176 PolarHBondContact N-O 2.97Å; N162-Y202 VanDerWaalsContact OD1-CE1 3.24Å; N162-Y202 WeakPolarHBondContact OD1-CE1 3.33Å; N162-Y202 PolarHBondContact OD1-OH 3.16Å |
| 163 | F | 83.7 | Confident | 84 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 2% | 0.022 | 21% | 0.212 | C | C | . | . | trans | -99.9 | 136.3 | 178.1 | -78 | -116.6 | 0 | 0 | 0 | 111.5 | V111 P114 H139 L160 S161 Q167 M168 I171 | V111-F163 HydrophobicContact CB-CE2 4.02Å; V111-F163 HydrophobicContact CB-CZ 4.16Å; V111-F163 HydrophobicContact CG1-CE2 3.86Å; V111-F163 HydrophobicContact CG1-CZ 3.77Å; P114-F163 VanDerWaalsContact CA-CZ 3.41Å; P114-F163 HydrophobicContact CB-CD1 4.13Å; P114-F163 HydrophobicContact CB-CD2 4.28Å; P114-F163 HydrophobicContact CB-CE1 3.75Å; P114-F163 HydrophobicContact CB-CE2 3.96Å; P114-F163 HydrophobicContact CB-CG 4.36Å; P114-F163 HydrophobicContact CB-CZ 3.67Å; P114-F163 HydrophobicContact CG-CD2 4.45Å; P114-F163 HydrophobicContact CG-CE2 4.44Å; H139-F163 HydrophobicContact CB-CE1 4.36Å; H139-F163 AromaticContact CD2-CE1 3.99Å; L160-F163 HydrophobicContact CB-CB 4.3Å; L160-F163 HydrophobicContact CB-CD1 4.5Å; L160-F163 HydrophobicContact CB-CD2 3.68Å; L160-F163 HydrophobicContact CB-CE2 4.1Å; L160-F163 HydrophobicContact CB-CG 3.91Å; L160-F163 HydrophobicContact CD1-CB 4.39Å; L160-F163 HydrophobicContact CD1-CD1 3.96Å; L160-F163 HydrophobicContact CD1-CE1 4.44Å; L160-F163 HydrophobicContact CD1-CG 4.07Å; L160-F163 HydrophobicContact CD2-CD1 4.21Å; L160-F163 HydrophobicContact CD2-CD2 4.24Å; L160-F163 HydrophobicContact CD2-CE1 3.93Å; L160-F163 HydrophobicContact CD2-CE2 3.94Å; L160-F163 HydrophobicContact CD2-CG 4.39Å; L160-F163 HydrophobicContact CD2-CZ 3.77Å; L160-F163 HydrophobicContact CG-CD1 4.46Å; L160-F163 HydrophobicContact CG-CD2 4.38Å; L160-F163 HydrophobicContact CG-CG 4.35Å; S161-F163 WeakPolarHBondContact O-CD2 3.24Å; S161-F163 WeakPolarHBondContact O-CE2 3.44Å; F163-Q167 HydrophobicContact CB-CB 4.36Å; F163-Q167 HydrophobicContact CD1-CB 3.68Å; F163-Q167 HydrophobicContact CE1-CB 4.46Å; F163-Q167 HydrophobicContact CG-CB 4.42Å; F163-M168 HydrophobicContact CB-CG 3.74Å; F163-I171 HydrophobicContact CD1-CD1 3.82Å; F163-I171 HydrophobicContact CE1-CD1 3.44Å; F163-I171 VanDerWaalsContact CE1-CD1 3.44Å; F163-I171 HydrophobicContact CZ-CD1 4.4Å | ||
| 164 | S | 76.3 | Confident | 82.4 | Confident | 52 Ų | 52 | 38.6 Ų | 38.6 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | trans | -80.1 | 164.4 | 170.3 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | Q167 M168 | S164-Q167 PolarHBondContact O-N 3.07Å; S164-Q167 WeakPolarHBondContact OG-CG 3.38Å; S164-Q167 PolarHBondContact OG-OE1 2.97Å; S164-M168 PolarHBondContact O-N 3.12Å | ||
| 165 | I | 76.5 | Confident | 80.4 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 22% | 0.221 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -50.2 | -48.4 | 179.3 | -61.9 | 173.9 | 0 | 0 | 0 | 112.6 | Q167 M168 Q169 E187 L188 F191 | I165-Q167 VanDerWaalsContact C-N 3.31Å; I165-Q167 PolarHBondContact O-N 2.96Å; I165-M168 HydrophobicContact CG1-CE 4.4Å; I165-M168 PolarHBondContact O-N 3.33Å; I165-Q169 HydrophobicContact CG2-CG 4.21Å; I165-Q169 WeakPolarHBondContact O-CB 3.35Å; I165-Q169 VanDerWaalsContact O-CG 3.31Å; I165-Q169 WeakPolarHBondContact O-CG 3.13Å; I165-Q169 PolarHBondContact O-N 3.44Å; I165-E187 HydrophobicContact CD1-CB 4.35Å; I165-L188 HydrophobicContact CG1-CD1 3.57Å; I165-F191 HydrophobicContact CD1-CB 4.06Å; I165-F191 HydrophobicContact CD1-CG 4.43Å; I165-F191 HydrophobicContact CG1-CB 4.22Å; I165-F191 HydrophobicContact CG1-CD1 4.41Å; I165-F191 HydrophobicContact CG1-CG 4.22Å; I165-F191 HydrophobicContact CG2-CD1 4.24Å; I165-F191 HydrophobicContact CG2-CD2 3.77Å; I165-F191 HydrophobicContact CG2-CE1 4.35Å; I165-F191 HydrophobicContact CG2-CE2 3.9Å; I165-F191 HydrophobicContact CG2-CG 3.95Å; I165-F191 HydrophobicContact CG2-CZ 4.18Å |
| 166 | P | 72.5 | Confident | 78.3 | Confident | 88 Ų | 88 | 37.2 Ų | 37.2 | 57% | 0.571 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -65.3 | -33 | 179.8 | -24.6 | 37.4 | 0 | 0 | 0 | 113.2 | R170 | P166-R170 PolarHBondContact O-N 2.94Å |
| 167 | Q | 82.1 | Confident | 76.7 | Confident | 54 Ų | 54 | 32.5 Ų | 32.5 | 25% | 0.252 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -74.7 | -31.7 | 176.8 | -62.5 | 169 | -61.5 | 0 | 0 | 111.8 | F163 S164 I165 R170 I171 | F163-Q167 HydrophobicContact CB-CB 4.36Å; F163-Q167 HydrophobicContact CD1-CB 3.68Å; F163-Q167 HydrophobicContact CE1-CB 4.46Å; F163-Q167 HydrophobicContact CG-CB 4.42Å; S164-Q167 PolarHBondContact O-N 3.07Å; S164-Q167 WeakPolarHBondContact OG-CG 3.38Å; S164-Q167 PolarHBondContact OG-OE1 2.97Å; I165-Q167 VanDerWaalsContact C-N 3.31Å; I165-Q167 PolarHBondContact O-N 2.96Å; Q167-R170 WeakPolarHBondContact O-CB 3.36Å; Q167-I171 VanDerWaalsContact O-CD1 3.27Å; Q167-I171 WeakPolarHBondContact O-CD1 3.18Å; Q167-I171 WeakPolarHBondContact O-CG1 3.3Å |
| 168 | M | 81.3 | Confident | 75.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.1 | -41.2 | 170.6 | -68.9 | -165.6 | -64.7 | 0 | 0 | 112.1 | L160 F163 S164 I165 R170 I171 L172 C175 L188 F191 | L160-M168 HydrophobicContact CD1-CG 3.98Å; F163-M168 HydrophobicContact CB-CG 3.74Å; S164-M168 PolarHBondContact O-N 3.12Å; I165-M168 HydrophobicContact CG1-CE 4.4Å; I165-M168 PolarHBondContact O-N 3.33Å; M168-R170 PolarHBondContact O-N 3.09Å; M168-R170 VanDerWaalsContact O-N 3.12Å; M168-I171 CarbonylContact O-C 3.55Å; M168-I171 PolarHBondContact O-N 3.44Å; M168-L172 WeakPolarHBondContact O-CG 3.48Å; M168-L172 PolarHBondContact O-N 3.22Å; M168-C175 HydrophobicContact SD-CB 3.59Å; M168-C175 VanDerWaalsContact SD-CB 3.59Å; M168-C175 PolarHBondContact SD-SG 3.14Å; M168-L188 HydrophobicContact CE-CD1 3.3Å; M168-L188 HydrophobicContact CE-CG 4.23Å; M168-F191 HydrophobicContact CB-CE1 4.15Å; M168-F191 HydrophobicContact CE-CD1 3.56Å; M168-F191 HydrophobicContact CE-CE1 3.8Å |
| 169 | Q | 79 | Confident | 73.8 | Confident | 116 Ų | 116 | 33.6 Ų | 33.6 | 54% | 0.542 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59 | -22.5 | 174.8 | -74.2 | 173.8 | -2.8 | 0 | 0 | 113 | I165 I171 F191 | I165-Q169 HydrophobicContact CG2-CG 4.21Å; I165-Q169 WeakPolarHBondContact O-CB 3.35Å; I165-Q169 VanDerWaalsContact O-CG 3.31Å; I165-Q169 WeakPolarHBondContact O-CG 3.13Å; I165-Q169 PolarHBondContact O-N 3.44Å; Q169-I171 VanDerWaalsContact C-N 3.26Å; Q169-I171 PolarHBondContact O-N 3.32Å; Q169-F191 HydrophobicContact CG-CE2 3.83Å; Q169-F191 HydrophobicContact CG-CZ 3.51Å |
| 170 | R | 80 | Confident | 72.7 | Confident | 112 Ų | 112 | 34.7 Ų | 34.7 | 42% | 0.423 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -14 | 172.7 | -176.5 | 57.1 | 178.4 | 158.1 | -2.4 | 113.5 | D138 L140 P166 Q167 M168 | D138-R170 IonicContact OD1-CZ 2.84Å; D138-R170 IonicContact OD1-NE 3.46Å; D138-R170 PolarHBondContact OD1-NE 3.34Å; D138-R170 IonicContact OD1-NH2 2.73Å; D138-R170 IonicContact OD2-CZ 2.72Å; D138-R170 IonicContact OD2-NE 2.73Å; D138-R170 IonicContact OD2-NH2 2.95Å; D138-R170 PolarHBondContact OD2-NH2 2.93Å; L140-R170 WeakPolarHBondContact CD2-O 3.29Å; P166-R170 PolarHBondContact O-N 2.94Å; Q167-R170 WeakPolarHBondContact O-CB 3.36Å; M168-R170 PolarHBondContact O-N 3.09Å; M168-R170 VanDerWaalsContact O-N 3.12Å |
| 171 | I | 77.9 | Confident | 71.6 | Confident | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | -62.3 | -162.6 | -55.9 | 167.5 | 0 | 0 | 0 | 112.8 | H139 W143 L160 F163 Q167 M168 Q169 | H139-I171 HydrophobicContact CB-CD1 3.6Å; H139-I171 HydrophobicContact CB-CG1 4.09Å; W143-I171 HydrophobicContact CB-CG2 3.94Å; W143-I171 HydrophobicContact CD2-CG2 3.27Å; W143-I171 HydrophobicContact CE3-CG2 3.63Å; W143-I171 HydrophobicContact CG-CG2 3.41Å; W143-I171 VanDerWaalsContact CG-CG2 3.41Å; W143-I171 HydrophobicContact CZ2-CG2 4.28Å; W143-I171 HydrophobicContact CZ3-CG2 4.26Å; L160-I171 HydrophobicContact CD1-CB 4.26Å; L160-I171 HydrophobicContact CD1-CD1 3.89Å; L160-I171 HydrophobicContact CD1-CG2 4.2Å; L160-I171 HydrophobicContact CD2-CD1 3.91Å; L160-I171 HydrophobicContact CD2-CG2 4.38Å; F163-I171 HydrophobicContact CD1-CD1 3.82Å; F163-I171 HydrophobicContact CE1-CD1 3.44Å; F163-I171 VanDerWaalsContact CE1-CD1 3.44Å; F163-I171 HydrophobicContact CZ-CD1 4.4Å; Q167-I171 VanDerWaalsContact O-CD1 3.27Å; Q167-I171 WeakPolarHBondContact O-CD1 3.18Å; Q167-I171 WeakPolarHBondContact O-CG1 3.3Å; M168-I171 CarbonylContact O-C 3.55Å; M168-I171 PolarHBondContact O-N 3.44Å; Q169-I171 VanDerWaalsContact C-N 3.26Å; Q169-I171 PolarHBondContact O-N 3.32Å |
| 172 | L | 70.6 | Confident | 70.6 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 34% | 0.335 | 19% | 0.188 | S | C | . | . | trans | 53.3 | 77.6 | -178.1 | -69.4 | 177.5 | 0 | 0 | 0 | 118 | M168 F191 Q195 I197 | M168-L172 WeakPolarHBondContact O-CG 3.48Å; M168-L172 PolarHBondContact O-N 3.22Å; L172-F191 HydrophobicContact CD2-CE1 4Å; L172-F191 HydrophobicContact CD2-CZ 3.9Å; L172-Q195 HydrophobicContact CD2-CB 4.43Å; L172-Q195 HydrophobicContact CD2-CG 4Å; L172-I197 HydrophobicContact CD2-CD1 3.93Å | ||
| 173 | D | 60.8 | Low | 69.8 | Low | 42 Ų | 42 | 37.6 Ų | 37.6 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -163.3 | 143.3 | 132.9 | -121.6 | -9.9 | 0 | 0 | 0 | 111.9 | H9 W143 | H9-D173 IonicContact CE1-OD1 3.72Å; H9-D173 IonicContact CE1-OD2 2.96Å; H9-D173 IonicContact CG-OD1 2.89Å; H9-D173 IonicContact CG-OD2 3.02Å; H9-D173 VanDerWaalsContact ND1-CG 3.31Å; H9-D173 IonicContact ND1-OD1 3.78Å; H9-D173 PolarHBondContact ND1-OD1 3.12Å; H9-D173 IonicContact ND1-OD2 2.71Å; H9-D173 PolarHBondContact ND1-OD2 3.37Å; W143-D173 HydrophobicContact CH2-CB 4.27Å; W143-D173 WeakPolarHBondContact CH2-O 3.43Å; W143-D173 HydrophobicContact CZ2-CB 3.8Å |
| 174 | N | 57.8 | Low | 69.2 | Low | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | trans | 51.3 | 137.9 | 175.6 | -73.5 | -34.1 | 0 | 0 | 0 | 119.6 | I158 L160 | I158-N174 VanDerWaalsContact O-CB 3.26Å; I158-N174 WeakPolarHBondContact O-CB 3.38Å; I158-N174 PolarHBondContact O-ND2 3.39Å; L160-N174 WeakPolarHBondContact CB-O 3.29Å; L160-N174 PolarHBondContact N-O 3.28Å | ||
| 175 | C | 56.6 | Low | 69.1 | Low | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 157.6 | 179 | -155.1 | 0 | 0 | 0 | 0 | 117.5 | L160 M168 I197 S198 T200 | L160-C175 CarbonylContact O-C 3.56Å; L160-C175 WeakPolarHBondContact O-CA 3.19Å; M168-C175 HydrophobicContact SD-CB 3.59Å; M168-C175 VanDerWaalsContact SD-CB 3.59Å; M168-C175 PolarHBondContact SD-SG 3.14Å; C175-I197 HydrophobicContact CB-CG2 4.12Å; C175-S198 PolarHBondContact N-O 3.01Å; C175-S198 VanDerWaalsContact O-O 3.12Å; C175-T200 PolarHBondContact O-N 2.9Å; C175-T200 VanDerWaalsContact O-N 3.08Å |
| 176 | S | 53.1 | Low | 69.3 | Low | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 133.4 | 178.5 | 166.6 | 0 | 0 | 0 | 0 | 110.6 | L160 S161 N162 T200 | L160-S176 PolarHBondContact O-N 3.44Å; S161-S176 CarbonylContact C-O 3.6Å; S161-S176 VanDerWaalsContact CA-O 3.22Å; S161-S176 WeakPolarHBondContact CA-O 3.31Å; N162-S176 PolarHBondContact N-O 2.97Å; S176-T200 WeakPolarHBondContact CA-O 3.32Å |
| 177 | V | 61.2 | Low | 69.3 | Low | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 167.7 | 178.4 | -70.1 | 0 | 0 | 0 | 0 | 113 | C179 Q185 L188 F199 T200 Y202 | V177-C179 PolarHBondContact O-N 3.36Å; V177-Q185 HydrophobicContact CG2-CG 4.09Å; V177-L188 HydrophobicContact CB-CD2 4.17Å; V177-L188 HydrophobicContact CG1-CD2 3.72Å; V177-L188 HydrophobicContact CG2-CD2 3.61Å; V177-F199 HydrophobicContact CG2-CE1 3.91Å; V177-F199 HydrophobicContact CG2-CE2 3.76Å; V177-F199 HydrophobicContact CG2-CZ 3.26Å; V177-T200 PolarHBondContact N-O 2.91Å; V177-Y202 WeakPolarHBondContact O-CD1 3.18Å; V177-Y202 PolarHBondContact O-N 3.15Å |
| 178 | E | 61.8 | Low | 69.1 | Low | 31 Ų | 31 | 40.4 Ų | 40.4 | 15% | 0.145 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 123.4 | 171.4 | -150 | 158.4 | 142.8 | 0 | 0 | 110.1 | L183 Q185 Y202 A203 R210 | E178-L183 HydrophobicContact CB-CD2 4.14Å; E178-L183 HydrophobicContact CG-CD2 4.5Å; E178-Q185 VanDerWaalsContact O-CG 3.27Å; E178-Q185 WeakPolarHBondContact O-CG 3.23Å; E178-Q185 PolarHBondContact O-NE2 3.47Å; E178-Y202 HydrophobicContact CB-CD2 4.41Å; E178-Y202 HydrophobicContact CB-CE1 4.06Å; E178-Y202 HydrophobicContact CB-CE2 3.75Å; E178-Y202 HydrophobicContact CG-CD2 4.13Å; E178-Y202 HydrophobicContact CG-CE2 3.54Å; E178-Y202 WeakPolarHBondContact OE2-CE2 3.37Å; E178-Y202 VanDerWaalsContact OE2-CZ 3.3Å; E178-Y202 PolarHBondContact OE2-OH 3.48Å; E178-A203 HydrophobicContact CG-CB 4.09Å; E178-R210 IonicContact OE1-CZ 3.64Å; E178-R210 IonicContact OE1-NH1 3.96Å; E178-R210 PolarHBondContact OE1-NH1 3.06Å; E178-R210 IonicContact OE1-NH2 2.68Å; E178-R210 IonicContact OE2-CZ 3Å; E178-R210 IonicContact OE2-NH1 2.69Å; E178-R210 PolarHBondContact OE2-NH1 2.82Å; E178-R210 IonicContact OE2-NH2 2.63Å; E178-R210 PolarHBondContact OE2-NH2 3.25Å |
| 179 | C | 65.1 | Low | 69.2 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -148.3 | 124.3 | 180 | -168.2 | 0 | 0 | 0 | 0 | 112.8 | V177 L183 P184 Q185 F199 A201 Y202 | V177-C179 PolarHBondContact O-N 3.36Å; C179-L183 WeakPolarHBondContact CA-O 3.43Å; C179-L183 PolarHBondContact SG-O 3.09Å; C179-P184 VanDerWaalsContact SG-C 3.6Å; C179-P184 PolarHBondContact SG-O 3.46Å; C179-Q185 HydrophobicContact CB-CB 4.48Å; C179-Q185 HydrophobicContact CB-CG 3.9Å; C179-F199 HydrophobicContact CB-CE1 4.32Å; C179-A201 HydrophobicContact CB-CB 3.85Å; C179-Y202 PolarHBondContact N-O 3.46Å | ||
| 180 | H | 70.3 | Confident | 69.3 | Low | 22 Ų | 22 | 38.6 Ų | 38.6 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -156.1 | 178.4 | 176.8 | 56.7 | 99.4 | 0 | 0 | 0 | 109.1 | Y182 L183 P184 P228 | H180-Y182 VanDerWaalsContact C-N 3.27Å; H180-Y182 PolarHBondContact O-N 3.34Å; H180-Y182 VanDerWaalsContact O-N 3.14Å; H180-L183 PolarHBondContact N-O 2.96Å; H180-L183 CarbonylContact O-C 3.6Å; H180-L183 WeakPolarHBondContact O-CA 3.49Å; H180-L183 PolarHBondContact O-N 3.11Å; H180-P184 WeakPolarHBondContact O-CA 3.39Å; H180-P228 HydrophobicContact CB-CG 4.27Å |
| 181 | I | 68 | Low | 69.4 | Low | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -33.4 | -173.3 | 50.5 | 163.4 | 0 | 0 | 0 | 115.3 | P228 D231 V234 L249 W252 M292 | I181-P228 HydrophobicContact CD1-CB 4.25Å; I181-P228 HydrophobicContact CG1-CB 4.02Å; I181-P228 HydrophobicContact CG1-CG 4.47Å; I181-D231 HydrophobicContact CD1-CB 4.15Å; I181-V234 HydrophobicContact CD1-CG2 3.7Å; I181-L249 HydrophobicContact CB-CD2 4.39Å; I181-L249 HydrophobicContact CD1-CD2 4.13Å; I181-L249 HydrophobicContact CG1-CD2 3.95Å; I181-L249 HydrophobicContact CG2-CD2 3.62Å; I181-W252 HydrophobicContact CB-CZ3 4.5Å; I181-W252 HydrophobicContact CG2-CD2 4.26Å; I181-W252 HydrophobicContact CG2-CE3 3.87Å; I181-W252 HydrophobicContact CG2-CH2 4.04Å; I181-W252 HydrophobicContact CG2-CZ2 4.38Å; I181-W252 HydrophobicContact CG2-CZ3 3.77Å; I181-M292 HydrophobicContact CB-CE 3.87Å; I181-M292 HydrophobicContact CD1-CE 3.61Å; I181-M292 HydrophobicContact CD1-SD 4.16Å; I181-M292 HydrophobicContact CG1-CE 4.35Å; I181-M292 HydrophobicContact CG2-CE 3.86Å |
| 182 | Y | 64.2 | Low | 69.6 | Low | 56 Ų | 56 | 33.7 Ų | 33.7 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.7 | 177.4 | -47.2 | -47.3 | 0 | 0 | 0 | 113.5 | H180 S226 P228 D231 | H180-Y182 VanDerWaalsContact C-N 3.27Å; H180-Y182 PolarHBondContact O-N 3.34Å; H180-Y182 VanDerWaalsContact O-N 3.14Å; Y182-S226 VanDerWaalsContact CE2-O 3.3Å; Y182-S226 WeakPolarHBondContact CE2-O 3.35Å; Y182-P228 HydrophobicContact CD2-CG 4.02Å; Y182-P228 HydrophobicContact CE2-CB 4.47Å; Y182-P228 HydrophobicContact CE2-CG 4.05Å; Y182-D231 WeakPolarHBondContact OH-CB 3.41Å; Y182-D231 PolarHBondContact OH-OD2 3.18Å |
| 183 | L | 66 | Low | 70.1 | Confident | 61 Ų | 61 | 35.6 Ų | 35.6 | 32% | 0.319 | 17% | 0.169 | S | C | . | . | B | Isolated β-bridge | trans | -141.5 | 70.5 | 173.3 | -173.2 | 62.8 | 0 | 0 | 0 | 109 | E178 C179 H180 Q185 | E178-L183 HydrophobicContact CB-CD2 4.14Å; E178-L183 HydrophobicContact CG-CD2 4.5Å; C179-L183 WeakPolarHBondContact CA-O 3.43Å; C179-L183 PolarHBondContact SG-O 3.09Å; H180-L183 PolarHBondContact N-O 2.96Å; H180-L183 CarbonylContact O-C 3.6Å; H180-L183 WeakPolarHBondContact O-CA 3.49Å; H180-L183 PolarHBondContact O-N 3.11Å; L183-Q185 VanDerWaalsContact C-N 3.34Å; L183-Q185 PolarHBondContact O-N 3.01Å |
| 184 | P | 72.1 | Confident | 71.2 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | trans | -83.2 | -2.8 | -163.3 | 32.6 | -38.2 | 0 | 0 | 0 | 115.2 | C179 H180 Y186 W252 R256 | C179-P184 VanDerWaalsContact SG-C 3.6Å; C179-P184 PolarHBondContact SG-O 3.46Å; H180-P184 WeakPolarHBondContact O-CA 3.39Å; P184-Y186 VanDerWaalsContact C-N 3.3Å; P184-Y186 HydrophobicContact CB-CD1 4.41Å; P184-Y186 HydrophobicContact CB-CD2 4.23Å; P184-Y186 HydrophobicContact CB-CE1 3.83Å; P184-Y186 HydrophobicContact CB-CE2 3.66Å; P184-Y186 VanDerWaalsContact CB-CZ 3.4Å; P184-Y186 WeakPolarHBondContact CB-OH 3.18Å; P184-Y186 HydrophobicContact CG-CD2 3.8Å; P184-Y186 HydrophobicContact CG-CE1 4.38Å; P184-Y186 HydrophobicContact CG-CE2 3.27Å; P184-Y186 PolarHBondContact O-N 2.84Å; P184-Y186 VanDerWaalsContact O-N 3.14Å; P184-W252 HydrophobicContact CB-CH2 3.88Å; P184-W252 HydrophobicContact CB-CZ2 4.16Å; P184-R256 PolarHBondContact O-NH1 2.79Å; P184-R256 PolarHBondContact O-NH2 3.46Å | ||
| 185 | Q | 73.3 | Confident | 72.2 | Confident | 48 Ų | 48 | 44 Ų | 44 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | trans | 52.3 | 33 | 171.2 | -57.7 | -70 | 6.2 | 0 | 0 | 115.9 | V177 E178 C179 L183 E187 L188 H189 F199 | V177-Q185 HydrophobicContact CG2-CG 4.09Å; E178-Q185 VanDerWaalsContact O-CG 3.27Å; E178-Q185 WeakPolarHBondContact O-CG 3.23Å; E178-Q185 PolarHBondContact O-NE2 3.47Å; C179-Q185 HydrophobicContact CB-CB 4.48Å; C179-Q185 HydrophobicContact CB-CG 3.9Å; L183-Q185 VanDerWaalsContact C-N 3.34Å; L183-Q185 PolarHBondContact O-N 3.01Å; Q185-E187 PolarHBondContact O-N 3.46Å; Q185-L188 HydrophobicContact CB-CB 4.44Å; Q185-L188 HydrophobicContact CB-CD2 4.45Å; Q185-L188 PolarHBondContact O-N 3.28Å; Q185-H189 VanDerWaalsContact O-CB 3.26Å; Q185-H189 WeakPolarHBondContact O-CB 3.47Å; Q185-H189 PolarHBondContact O-N 3.45Å; Q185-F199 HydrophobicContact CB-CZ 3.82Å; Q185-F199 HydrophobicContact CG-CZ 4.31Å | ||
| 186 | Y | 80.7 | Confident | 73.5 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -53.8 | -56.7 | -173.3 | -61.1 | -56.7 | 0 | 0 | 0 | 113.7 | P184 L188 H189 D190 R256 N290 | P184-Y186 VanDerWaalsContact C-N 3.3Å; P184-Y186 HydrophobicContact CB-CD1 4.41Å; P184-Y186 HydrophobicContact CB-CD2 4.23Å; P184-Y186 HydrophobicContact CB-CE1 3.83Å; P184-Y186 HydrophobicContact CB-CE2 3.66Å; P184-Y186 VanDerWaalsContact CB-CZ 3.4Å; P184-Y186 WeakPolarHBondContact CB-OH 3.18Å; P184-Y186 HydrophobicContact CG-CD2 3.8Å; P184-Y186 HydrophobicContact CG-CE1 4.38Å; P184-Y186 HydrophobicContact CG-CE2 3.27Å; P184-Y186 PolarHBondContact O-N 2.84Å; P184-Y186 VanDerWaalsContact O-N 3.14Å; Y186-L188 VanDerWaalsContact C-N 3.3Å; Y186-L188 PolarHBondContact O-N 3.06Å; Y186-H189 PolarHBondContact O-N 2.83Å; Y186-D190 WeakPolarHBondContact O-CB 3.27Å; Y186-D190 PolarHBondContact O-N 2.73Å; Y186-R256 VanDerWaalsContact CD1-NH2 3.35Å; Y186-N290 WeakPolarHBondContact OH-CA 3.24Å; Y186-N290 PolarHBondContact OH-O 2.93Å |
| 187 | E | 72.9 | Confident | 75 | Confident | 155 Ų | 155 | 49.5 Ų | 49.5 | 72% | 0.724 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.6 | -39.7 | -175.8 | -55.4 | 175.1 | 137.2 | 0 | 0 | 112.4 | I165 Q185 F191 | I165-E187 HydrophobicContact CD1-CB 4.35Å; Q185-E187 PolarHBondContact O-N 3.46Å; E187-F191 WeakPolarHBondContact O-CB 3.45Å; E187-F191 PolarHBondContact O-N 3.49Å |
| 188 | L | 78.9 | Confident | 76.3 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.1 | -43.7 | 179.7 | -173.9 | 77.1 | 0 | 0 | 0 | 111.5 | I165 M168 V177 Q185 Y186 F191 C192 F199 | I165-L188 HydrophobicContact CG1-CD1 3.57Å; M168-L188 HydrophobicContact CE-CD1 3.3Å; M168-L188 HydrophobicContact CE-CG 4.23Å; V177-L188 HydrophobicContact CB-CD2 4.17Å; V177-L188 HydrophobicContact CG1-CD2 3.72Å; V177-L188 HydrophobicContact CG2-CD2 3.61Å; Q185-L188 HydrophobicContact CB-CB 4.44Å; Q185-L188 HydrophobicContact CB-CD2 4.45Å; Q185-L188 PolarHBondContact O-N 3.28Å; Y186-L188 VanDerWaalsContact C-N 3.3Å; Y186-L188 PolarHBondContact O-N 3.06Å; L188-F191 PolarHBondContact O-N 3.2Å; L188-C192 PolarHBondContact O-N 2.65Å; L188-C192 PolarHBondContact O-SG 3.42Å; L188-C192 VanDerWaalsContact O-SG 3.33Å; L188-F199 HydrophobicContact CB-CE2 4.48Å; L188-F199 HydrophobicContact CD2-CE2 3.95Å; L188-F199 HydrophobicContact CD2-CZ 4.38Å; L188-F199 HydrophobicContact CG-CE2 4.06Å |
| 189 | H | 82.3 | Confident | 77.5 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | 175 | 171.4 | -101.7 | 0 | 0 | 0 | 111.6 | Q185 Y186 F191 C192 Q193 F199 R256 M258 | Q185-H189 VanDerWaalsContact O-CB 3.26Å; Q185-H189 WeakPolarHBondContact O-CB 3.47Å; Q185-H189 PolarHBondContact O-N 3.45Å; Y186-H189 PolarHBondContact O-N 2.83Å; H189-F191 VanDerWaalsContact C-N 3.31Å; H189-F191 PolarHBondContact O-N 3.34Å; H189-C192 WeakPolarHBondContact O-CB 3.46Å; H189-C192 PolarHBondContact O-N 2.95Å; H189-C192 VanDerWaalsContact O-N 3.14Å; H189-Q193 VanDerWaalsContact CE1-CD 3.46Å; H189-Q193 PolarHBondContact CE1-NE2 3.15Å; H189-Q193 PolarHBondContact NE2-NE2 3.33Å; H189-Q193 PolarHBondContact O-N 3.34Å; H189-F199 HydrophobicContact CB-CD2 4.21Å; H189-F199 HydrophobicContact CB-CE2 3.98Å; H189-F199 HydrophobicContact CB-CZ 4.3Å; H189-F199 AromaticContact CD2-CG 3.98Å; H189-R256 PolarHBondContact CE1-O 2.84Å; H189-R256 PolarHBondContact NE2-O 2.91Å; H189-M258 HydrophobicContact CB-CE 3.73Å; H189-M258 WeakPolarHBondContact CD2-CE 3.5Å; H189-M258 VanDerWaalsContact CG-CE 3.48Å |
| 190 | D | 81.1 | Confident | 78.7 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 176 | -100.4 | 49.9 | 0 | 0 | 0 | 112.4 | Y186 K194 | Y186-D190 WeakPolarHBondContact O-CB 3.27Å; Y186-D190 PolarHBondContact O-N 2.73Å; D190-K194 WeakPolarHBondContact O-CB 3.47Å; D190-K194 WeakPolarHBondContact O-CD 3.4Å; D190-K194 WeakPolarHBondContact O-CG 3.15Å; D190-K194 PolarHBondContact O-N 3.32Å; D190-K194 IonicContact OD2-NZ 2.81Å; D190-K194 PolarHBondContact OD2-NZ 3.12Å |
| 191 | F | 81.7 | Confident | 79.5 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 13% | 0.132 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 172.9 | 176.8 | -92.7 | 0 | 0 | 0 | 111.1 | I165 M168 Q169 L172 E187 L188 H189 K194 Q195 | I165-F191 HydrophobicContact CD1-CB 4.06Å; I165-F191 HydrophobicContact CD1-CG 4.43Å; I165-F191 HydrophobicContact CG1-CB 4.22Å; I165-F191 HydrophobicContact CG1-CD1 4.41Å; I165-F191 HydrophobicContact CG1-CG 4.22Å; I165-F191 HydrophobicContact CG2-CD1 4.24Å; I165-F191 HydrophobicContact CG2-CD2 3.77Å; I165-F191 HydrophobicContact CG2-CE1 4.35Å; I165-F191 HydrophobicContact CG2-CE2 3.9Å; I165-F191 HydrophobicContact CG2-CG 3.95Å; I165-F191 HydrophobicContact CG2-CZ 4.18Å; M168-F191 HydrophobicContact CB-CE1 4.15Å; M168-F191 HydrophobicContact CE-CD1 3.56Å; M168-F191 HydrophobicContact CE-CE1 3.8Å; Q169-F191 HydrophobicContact CG-CE2 3.83Å; Q169-F191 HydrophobicContact CG-CZ 3.51Å; L172-F191 HydrophobicContact CD2-CE1 4Å; L172-F191 HydrophobicContact CD2-CZ 3.9Å; E187-F191 WeakPolarHBondContact O-CB 3.45Å; E187-F191 PolarHBondContact O-N 3.49Å; L188-F191 PolarHBondContact O-N 3.2Å; H189-F191 VanDerWaalsContact C-N 3.31Å; H189-F191 PolarHBondContact O-N 3.34Å; F191-K194 PolarHBondContact O-N 2.86Å; F191-Q195 HydrophobicContact CD1-CG 4.38Å; F191-Q195 HydrophobicContact CE1-CG 3.92Å; F191-Q195 HydrophobicContact CE2-CG 4.1Å; F191-Q195 HydrophobicContact CZ-CG 3.77Å; F191-Q195 WeakPolarHBondContact O-CG 3.46Å; F191-Q195 PolarHBondContact O-N 2.79Å; F191-Q195 VanDerWaalsContact O-N 3.08Å |
| 192 | C | 83.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -48.7 | 177.2 | -74.2 | 0 | 0 | 0 | 0 | 112.2 | L188 H189 K194 Q195 N196 I197 F199 | L188-C192 PolarHBondContact O-N 2.65Å; L188-C192 PolarHBondContact O-SG 3.42Å; L188-C192 VanDerWaalsContact O-SG 3.33Å; H189-C192 WeakPolarHBondContact O-CB 3.46Å; H189-C192 PolarHBondContact O-N 2.95Å; H189-C192 VanDerWaalsContact O-N 3.14Å; C192-K194 VanDerWaalsContact C-N 3.33Å; C192-K194 PolarHBondContact O-N 2.88Å; C192-Q195 CarbonylContact O-C 3.59Å; C192-Q195 PolarHBondContact O-N 2.77Å; C192-N196 PolarHBondContact O-N 2.94Å; C192-I197 CarbonylContact C-O 3.6Å; C192-I197 HydrophobicContact CB-CB 4.05Å; C192-I197 HydrophobicContact CB-CG2 3.74Å; C192-I197 WeakPolarHBondContact O-CB 3.27Å; C192-I197 PolarHBondContact O-N 3.5Å; C192-I197 VanDerWaalsContact SG-CG2 3.57Å; C192-F199 HydrophobicContact CB-CD2 4.04Å |
| 193 | Q | 81.8 | Confident | 81.2 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 49% | 0.486 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 175.4 | -70.8 | -159.9 | -12.4 | 0 | 0 | 112 | H189 Q195 N196 | H189-Q193 VanDerWaalsContact CE1-CD 3.46Å; H189-Q193 PolarHBondContact CE1-NE2 3.15Å; H189-Q193 PolarHBondContact NE2-NE2 3.33Å; H189-Q193 PolarHBondContact O-N 3.34Å; Q193-Q195 PolarHBondContact O-N 3.49Å; Q193-N196 PolarHBondContact O-N 2.89Å |
| 194 | K | 83.1 | Confident | 82.1 | Confident | 143 Ų | 143 | 45.4 Ų | 45.4 | 62% | 0.622 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.3 | -18 | 177.7 | -71.1 | 160.5 | -163.2 | 156.2 | 0 | 113.6 | D190 F191 C192 | D190-K194 WeakPolarHBondContact O-CB 3.47Å; D190-K194 WeakPolarHBondContact O-CD 3.4Å; D190-K194 WeakPolarHBondContact O-CG 3.15Å; D190-K194 PolarHBondContact O-N 3.32Å; D190-K194 IonicContact OD2-NZ 2.81Å; D190-K194 PolarHBondContact OD2-NZ 3.12Å; F191-K194 PolarHBondContact O-N 2.86Å; C192-K194 VanDerWaalsContact C-N 3.33Å; C192-K194 PolarHBondContact O-N 2.88Å |
| 195 | Q | 79.8 | Confident | 82.7 | Confident | 86 Ų | 86 | 46 Ų | 46 | 40% | 0.402 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 7.9 | 174.2 | -61.4 | -56.9 | -76.4 | 0 | 0 | 113.2 | L172 F191 C192 Q193 I197 | L172-Q195 HydrophobicContact CD2-CB 4.43Å; L172-Q195 HydrophobicContact CD2-CG 4Å; F191-Q195 HydrophobicContact CD1-CG 4.38Å; F191-Q195 HydrophobicContact CE1-CG 3.92Å; F191-Q195 HydrophobicContact CE2-CG 4.1Å; F191-Q195 HydrophobicContact CZ-CG 3.77Å; F191-Q195 WeakPolarHBondContact O-CG 3.46Å; F191-Q195 PolarHBondContact O-N 2.79Å; F191-Q195 VanDerWaalsContact O-N 3.08Å; C192-Q195 CarbonylContact O-C 3.59Å; C192-Q195 PolarHBondContact O-N 2.77Å; Q193-Q195 PolarHBondContact O-N 3.49Å; Q195-I197 HydrophobicContact CB-CB 4.44Å; Q195-I197 HydrophobicContact CB-CD1 3.87Å; Q195-I197 HydrophobicContact CB-CG1 3.97Å; Q195-I197 PolarHBondContact O-N 2.92Å |
| 196 | N | 81.9 | Confident | 82.6 | Confident | 109 Ų | 109 | 44.1 Ų | 44.1 | 58% | 0.583 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 27 | -172.6 | -166 | 47.7 | 0 | 0 | 0 | 113.6 | C192 Q193 | C192-N196 PolarHBondContact O-N 2.94Å; Q193-N196 PolarHBondContact O-N 2.89Å |
| 197 | I | 86.1 | Confident | 82 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.046 | 21% | 0.207 | C | C | . | . | trans | -89.6 | 123.7 | 179.7 | -77.5 | 178.3 | 0 | 0 | 0 | 109 | L172 C175 C192 Q195 | L172-I197 HydrophobicContact CD2-CD1 3.93Å; C175-I197 HydrophobicContact CB-CG2 4.12Å; C192-I197 CarbonylContact C-O 3.6Å; C192-I197 HydrophobicContact CB-CB 4.05Å; C192-I197 HydrophobicContact CB-CG2 3.74Å; C192-I197 WeakPolarHBondContact O-CB 3.27Å; C192-I197 PolarHBondContact O-N 3.5Å; C192-I197 VanDerWaalsContact SG-CG2 3.57Å; Q195-I197 HydrophobicContact CB-CB 4.44Å; Q195-I197 HydrophobicContact CB-CD1 3.87Å; Q195-I197 HydrophobicContact CB-CG1 3.97Å; Q195-I197 PolarHBondContact O-N 2.92Å | ||
| 198 | S | 87.1 | Confident | 81.3 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | trans | -69.2 | 137.7 | 172.7 | -67.9 | 0 | 0 | 0 | 0 | 110.8 | L8 C175 | L8-S198 WeakPolarHBondContact CD2-OG 3.13Å; C175-S198 PolarHBondContact N-O 3.01Å; C175-S198 VanDerWaalsContact O-O 3.12Å | ||
| 199 | F | 87.6 | Confident | 80.2 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.2 | -173.5 | -170.7 | -79.9 | 0 | 0 | 0 | 110.9 | V177 C179 Q185 L188 H189 C192 M258 I259 | V177-F199 HydrophobicContact CG2-CE1 3.91Å; V177-F199 HydrophobicContact CG2-CE2 3.76Å; V177-F199 HydrophobicContact CG2-CZ 3.26Å; C179-F199 HydrophobicContact CB-CE1 4.32Å; Q185-F199 HydrophobicContact CB-CZ 3.82Å; Q185-F199 HydrophobicContact CG-CZ 4.31Å; L188-F199 HydrophobicContact CB-CE2 4.48Å; L188-F199 HydrophobicContact CD2-CE2 3.95Å; L188-F199 HydrophobicContact CD2-CZ 4.38Å; L188-F199 HydrophobicContact CG-CE2 4.06Å; H189-F199 HydrophobicContact CB-CD2 4.21Å; H189-F199 HydrophobicContact CB-CE2 3.98Å; H189-F199 HydrophobicContact CB-CZ 4.3Å; H189-F199 AromaticContact CD2-CG 3.98Å; C192-F199 HydrophobicContact CB-CD2 4.04Å; F199-M258 HydrophobicContact CD1-CB 4.35Å; F199-M258 HydrophobicContact CD1-CE 3.8Å; F199-M258 HydrophobicContact CD1-CG 3.8Å; F199-M258 HydrophobicContact CD1-SD 3.88Å; F199-M258 HydrophobicContact CE1-CE 3.51Å; F199-M258 HydrophobicContact CE1-CG 4.33Å; F199-M258 HydrophobicContact CE1-SD 3.78Å; F199-M258 HydrophobicContact CZ-CE 4.05Å; F199-I259 PolarHBondContact O-N 2.88Å |
| 200 | T | 90.6 | Very high | 78.9 | Confident | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.5 | 175.3 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | C175 S176 V177 I259 I261 | C175-T200 PolarHBondContact O-N 2.9Å; C175-T200 VanDerWaalsContact O-N 3.08Å; S176-T200 WeakPolarHBondContact CA-O 3.32Å; V177-T200 PolarHBondContact N-O 2.91Å; T200-I259 HydrophobicContact CG2-CB 4.25Å; T200-I259 HydrophobicContact CG2-CG2 4.12Å; T200-I259 WeakPolarHBondContact OG1-CD1 3.42Å; T200-I261 HydrophobicContact CG2-CD1 4.19Å; T200-I261 HydrophobicContact CG2-CG1 4.17Å; T200-I261 HydrophobicContact CG2-CG2 4.18Å |
| 201 | A | 86.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 109.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C179 L253 M258 I259 I261 | C179-A201 HydrophobicContact CB-CB 3.85Å; A201-L253 HydrophobicContact CB-CD1 4.11Å; A201-L253 HydrophobicContact CB-CD2 4.35Å; A201-M258 HydrophobicContact CB-SD 4.37Å; A201-I259 PolarHBondContact N-O 3.23Å; A201-I261 PolarHBondContact O-N 2.72Å |
| 202 | Y | 86.1 | Confident | 75.6 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 159.4 | 168.1 | 84.8 | -107.4 | 0 | 0 | 0 | 111.4 | N162 V177 E178 C179 P204 | N162-Y202 VanDerWaalsContact OD1-CE1 3.24Å; N162-Y202 WeakPolarHBondContact OD1-CE1 3.33Å; N162-Y202 PolarHBondContact OD1-OH 3.16Å; V177-Y202 WeakPolarHBondContact O-CD1 3.18Å; V177-Y202 PolarHBondContact O-N 3.15Å; E178-Y202 HydrophobicContact CB-CD2 4.41Å; E178-Y202 HydrophobicContact CB-CE1 4.06Å; E178-Y202 HydrophobicContact CB-CE2 3.75Å; E178-Y202 HydrophobicContact CG-CD2 4.13Å; E178-Y202 HydrophobicContact CG-CE2 3.54Å; E178-Y202 WeakPolarHBondContact OE2-CE2 3.37Å; E178-Y202 VanDerWaalsContact OE2-CZ 3.3Å; E178-Y202 PolarHBondContact OE2-OH 3.48Å; C179-Y202 PolarHBondContact N-O 3.46Å; Y202-P204 VanDerWaalsContact C-CD 3.43Å; Y202-P204 VanDerWaalsContact C-N 3.34Å |
| 203 | A | 82.3 | Confident | 73.5 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 50.4 | 43.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E178 I205 G206 S207 | E178-A203 HydrophobicContact CG-CB 4.09Å; A203-I205 PolarHBondContact O-N 3.46Å; A203-G206 PolarHBondContact O-N 2.92Å; A203-S207 WeakPolarHBondContact CB-OG 3.19Å |
| 204 | P | 84.1 | Confident | 71.5 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.9 | -170.9 | 28 | -37.9 | 0 | 0 | 0 | 114.9 | Y202 L250 L253 V260 P262 | Y202-P204 VanDerWaalsContact C-CD 3.43Å; Y202-P204 VanDerWaalsContact C-N 3.34Å; P204-L250 HydrophobicContact CB-CD2 3.87Å; P204-L250 HydrophobicContact CG-CD2 3.68Å; P204-L253 HydrophobicContact CB-CD1 3.34Å; P204-V260 HydrophobicContact CB-CB 4.38Å; P204-V260 HydrophobicContact CB-CG1 4.42Å; P204-V260 HydrophobicContact CG-CB 4.43Å; P204-P262 HydrophobicContact CG-CB 4.12Å |
| 205 | I | 84.3 | Confident | 69.4 | Low | 26 Ų | 26 | 50.3 Ų | 50.3 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 17.3 | -179.9 | 61.6 | 173.9 | 0 | 0 | 0 | 112.5 | A203 L229 A246 L249 L250 | A203-I205 PolarHBondContact O-N 3.46Å; I205-L229 HydrophobicContact CB-CD2 4.16Å; I205-L229 HydrophobicContact CB-CG 4.47Å; I205-A246 HydrophobicContact CG2-CB 4.13Å; I205-L249 HydrophobicContact CB-CD1 4.39Å; I205-L249 HydrophobicContact CG2-CB 4.26Å; I205-L249 HydrophobicContact CG2-CD1 4.37Å; I205-L250 HydrophobicContact CG2-CD1 4.41Å; I205-L250 HydrophobicContact CG2-CD2 4.42Å; I205-L250 HydrophobicContact CG2-CG 4Å |
| 206 | G | 71.9 | Confident | 67.4 | Low | 9 Ų | 9 | 49.3 Ų | 49.3 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | trans | 86.8 | -173.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A203 | A203-G206 PolarHBondContact O-N 2.92Š| ||
| 207 | S | 68.8 | Low | 65.1 | Low | 24 Ų | 24 | 49.8 Ų | 49.8 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | trans | -144.3 | 61.6 | -179 | -79 | 0 | 0 | 0 | 0 | 112.2 | A203 G209 R210 | A203-S207 WeakPolarHBondContact CB-OG 3.19Å; S207-G209 PolarHBondContact O-N 2.8Å; S207-G209 VanDerWaalsContact O-N 3.08Å; S207-R210 WeakPolarHBondContact O-CB 3.19Å; S207-R210 PolarHBondContact O-N 3.31Å | ||
| 208 | P | 58.3 | Low | 62.7 | Low | 69 Ų | 69 | 55.4 Ų | 55.4 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -58 | -29.6 | -175.9 | 20.5 | -32.7 | 0 | 0 | 0 | 113.7 | R210 R211 E227 | P208-R210 PolarHBondContact O-N 2.77Å; P208-R211 WeakPolarHBondContact O-CG 3.36Å; P208-E227 WeakPolarHBondContact CA-OE1 3.34Å; P208-E227 HydrophobicContact CB-CG 4.33Å; P208-E227 WeakPolarHBondContact CD-OE2 3.5Å |
| 209 | G | 55.5 | Low | 60.2 | Low | 39 Ų | 39 | 63.3 Ų | 63.3 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -72 | -6.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S207 R211 | S207-G209 PolarHBondContact O-N 2.8Å; S207-G209 VanDerWaalsContact O-N 3.08Å; G209-R211 VanDerWaalsContact C-N 3.26Å; G209-R211 PolarHBondContact O-N 3.26Å |
| 210 | R | 54.4 | Low | 57.7 | Low | 74 Ų | 74 | 67.7 Ų | 67.7 | 28% | 0.279 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -68.6 | -28.1 | 175 | -163.9 | -178.6 | -112.4 | 160.7 | -1.9 | 111.3 | W22 E178 S207 P208 T212 T216 | W22-R210 HydrophobicContact CH2-CB 3.98Å; W22-R210 HydrophobicContact CH2-CG 4.06Å; E178-R210 IonicContact OE1-CZ 3.64Å; E178-R210 IonicContact OE1-NH1 3.96Å; E178-R210 PolarHBondContact OE1-NH1 3.06Å; E178-R210 IonicContact OE1-NH2 2.68Å; E178-R210 IonicContact OE2-CZ 3Å; E178-R210 IonicContact OE2-NH1 2.69Å; E178-R210 PolarHBondContact OE2-NH1 2.82Å; E178-R210 IonicContact OE2-NH2 2.63Å; E178-R210 PolarHBondContact OE2-NH2 3.25Å; S207-R210 WeakPolarHBondContact O-CB 3.19Å; S207-R210 PolarHBondContact O-N 3.31Å; P208-R210 PolarHBondContact O-N 2.77Å; R210-T212 PolarHBondContact O-N 3.1Å; R210-T212 VanDerWaalsContact O-N 3.08Å; R210-T216 HydrophobicContact CG-CG2 3.97Å |
| 211 | R | 48.5 | Very low | 55.2 | Low | 99 Ų | 99 | 72.7 Ų | 72.7 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -62 | -13.5 | -177.7 | -59.6 | 179.5 | -172.9 | -122.2 | -0.3 | 115 | P208 G209 V222 S223 Q225 E227 | P208-R211 WeakPolarHBondContact O-CG 3.36Å; G209-R211 VanDerWaalsContact C-N 3.26Å; G209-R211 PolarHBondContact O-N 3.26Å; R211-V222 PolarHBondContact NH1-O 3.22Å; R211-S223 PolarHBondContact NH1-O 2.94Å; R211-Q225 PolarHBondContact NH2-O 3.22Å; R211-E227 IonicContact CZ-OE1 2.74Å; R211-E227 IonicContact NE-OE1 2.62Å; R211-E227 PolarHBondContact NE-OE1 3.38Å; R211-E227 IonicContact NH2-OE1 2.8Å; R211-E227 PolarHBondContact NH2-OE1 2.82Å |
| 212 | T | 44.8 | Very low | 53 | Low | 122 Ų | 122 | 75 Ų | 75 | 75% | 0.748 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -123.9 | 16.2 | -171.5 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | R210 | R210-T212 PolarHBondContact O-N 3.1Å; R210-T212 VanDerWaalsContact O-N 3.08Å |
| 213 | N | 40.4 | Very low | 50.8 | Low | 36 Ų | 36 | 75.9 Ų | 75.9 | 19% | 0.193 | 43% | 0.426 | C | S | . | . | trans | -115.1 | 114.5 | -177 | -172.3 | -13.3 | 0 | 0 | 0 | 112.5 | L23 L215 T216 | L23-N213 WeakPolarHBondContact CD2-ND2 3.4Å; N213-L215 PolarHBondContact O-N 3.41Å; N213-L215 WeakPolarHBondContact OD1-CB 3.43Å; N213-L215 WeakPolarHBondContact OD1-CG 2.8Å; N213-L215 PolarHBondContact OD1-N 3.05Å; N213-T216 PolarHBondContact O-N 3.31Å; N213-T216 PolarHBondContact O-OG1 3.07Å; N213-T216 VanDerWaalsContact O-OG1 3.08Å | ||
| 214 | P | 39.3 | Very low | 49 | Very low | 118 Ų | 118 | 77.5 Ų | 77.5 | 77% | 0.766 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.4 | 177.1 | -24.3 | 34.6 | 0 | 0 | 0 | 115.9 | T216 | P214-T216 VanDerWaalsContact C-N 3.26Å; P214-T216 PolarHBondContact O-N 3Å |
| 215 | L | 38.1 | Very low | 47 | Very low | 145 Ų | 145 | 82.3 Ų | 82.3 | 76% | 0.759 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.1 | 179.7 | -66.2 | 171.2 | 0 | 0 | 0 | 113.8 | N213 M217 | N213-L215 PolarHBondContact O-N 3.41Å; N213-L215 WeakPolarHBondContact OD1-CB 3.43Å; N213-L215 WeakPolarHBondContact OD1-CG 2.8Å; N213-L215 PolarHBondContact OD1-N 3.05Å; L215-M217 VanDerWaalsContact C-N 3.33Å; L215-M217 PolarHBondContact O-N 2.81Å; L215-M217 VanDerWaalsContact O-N 3.12Å |
| 216 | T | 39.3 | Very low | 45.4 | Very low | 66 Ų | 66 | 84.8 Ų | 84.8 | 41% | 0.405 | 47% | 0.474 | S | S | . | . | trans | -81.3 | 82.8 | 166.1 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | R210 N213 P214 I218 | R210-T216 HydrophobicContact CG-CG2 3.97Å; N213-T216 PolarHBondContact O-N 3.31Å; N213-T216 PolarHBondContact O-OG1 3.07Å; N213-T216 VanDerWaalsContact O-OG1 3.08Å; P214-T216 VanDerWaalsContact C-N 3.26Å; P214-T216 PolarHBondContact O-N 3Å; T216-I218 PolarHBondContact O-N 3.22Å | ||
| 217 | M | 33.7 | Very low | 45.1 | Very low | 119 Ų | 119 | 86 Ų | 86 | 59% | 0.586 | 48% | 0.477 | S | S | * | . | trans | -73.2 | 44.2 | -176.4 | -59.3 | 176.4 | 66 | 0 | 0 | 114 | D130 L215 | D130-M217 WeakPolarHBondContact O-CE 3.4Å; L215-M217 VanDerWaalsContact C-N 3.33Å; L215-M217 PolarHBondContact O-N 2.81Å; L215-M217 VanDerWaalsContact O-N 3.12Å | ||
| 218 | I | 34 | Very low | 45.3 | Very low | 127 Ų | 127 | 85 Ų | 85 | 65% | 0.651 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -137 | 115.8 | 169.8 | -44.5 | 178.7 | 0 | 0 | 0 | 106.5 | T216 I220 | T216-I218 PolarHBondContact O-N 3.22Å; I218-I220 HydrophobicContact CG2-CD1 4.2Å; I218-I220 HydrophobicContact CG2-CG1 3.88Å; I218-I220 PolarHBondContact O-N 3.01Å |
| 219 | D | 34.4 | Very low | 46.3 | Very low | 175 Ų | 175 | 84.1 Ų | 84.1 | 94% | 0.936 | 46% | 0.461 | S | S | * | . | trans | -73.1 | 54 | 178.3 | -64.1 | -56.5 | 0 | 0 | 0 | 112.3 | D221 | D219-D221 PolarHBondContact O-N 2.92Š| ||
| 220 | I | 36.2 | Very low | 47.2 | Very low | 98 Ų | 98 | 87.1 Ų | 87.1 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | trans | -76.4 | 114.3 | 159.9 | -60.8 | 174.1 | 0 | 0 | 0 | 105.7 | I218 V222 | I218-I220 HydrophobicContact CG2-CD1 4.2Å; I218-I220 HydrophobicContact CG2-CG1 3.88Å; I218-I220 PolarHBondContact O-N 3.01Å; I220-V222 VanDerWaalsContact C-N 3.33Å; I220-V222 WeakPolarHBondContact O-CG2 3.27Å; I220-V222 PolarHBondContact O-N 3.08Å | ||
| 221 | D | 38.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 84.6 Ų | 84.6 | 62% | 0.62 | 46% | 0.46 | S | S | * | . | trans | -67.6 | 93.9 | 170.7 | -169.5 | -17.6 | 0 | 0 | 0 | 109.3 | D219 S223 | D219-D221 PolarHBondContact O-N 2.92Å; D221-S223 VanDerWaalsContact CG-OG 3.29Å; D221-S223 PolarHBondContact O-N 3.44Å; D221-S223 WeakPolarHBondContact OD1-CB 3.43Å; D221-S223 PolarHBondContact OD1-N 3.26Å; D221-S223 PolarHBondContact OD1-OG 3.13Å | ||
| 222 | V | 39.2 | Very low | 49.4 | Very low | 47 Ų | 47 | 84.4 Ų | 84.4 | 29% | 0.285 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -78.7 | 9.6 | -178.2 | -143.5 | 0 | 0 | 0 | 0 | 112.3 | R211 I220 E224 | R211-V222 PolarHBondContact NH1-O 3.22Å; I220-V222 VanDerWaalsContact C-N 3.33Å; I220-V222 WeakPolarHBondContact O-CG2 3.27Å; I220-V222 PolarHBondContact O-N 3.08Å; V222-E224 VanDerWaalsContact C-N 3.28Å; V222-E224 PolarHBondContact O-N 2.99Å |
| 223 | S | 41 | Very low | 51 | Low | 69 Ų | 69 | 80.4 Ų | 80.4 | 48% | 0.483 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -60 | -38.8 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | R211 D221 Q225 | R211-S223 PolarHBondContact NH1-O 2.94Å; D221-S223 VanDerWaalsContact CG-OG 3.29Å; D221-S223 PolarHBondContact O-N 3.44Å; D221-S223 WeakPolarHBondContact OD1-CB 3.43Å; D221-S223 PolarHBondContact OD1-N 3.26Å; D221-S223 PolarHBondContact OD1-OG 3.13Å; S223-Q225 PolarHBondContact O-N 2.82Å |
| 224 | E | 43.7 | Very low | 53 | Low | 49 Ų | 49 | 78.7 Ų | 78.7 | 23% | 0.229 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -80.6 | -8 | -168.6 | -52.9 | -167 | 150.4 | 0 | 0 | 116.2 | V222 E372 R466 | V222-E224 VanDerWaalsContact C-N 3.28Å; V222-E224 PolarHBondContact O-N 2.99Å; E224-E372 HydrophobicContact CB-CB 4.48Å; E224-E372 HydrophobicContact CB-CG 4.15Å; E224-E372 HydrophobicContact CG-CG 3.8Å; E224-R466 IonicContact OE2-CZ 3.89Å; E224-R466 IonicContact OE2-NH1 3.86Å; E224-R466 PolarHBondContact OE2-NH1 2.88Å; E224-R466 IonicContact OE2-NH2 3.93Å; E224-R466 PolarHBondContact OE2-NH2 3.34Å |
| 225 | Q | 41.8 | Very low | 55.2 | Low | 102 Ų | 102 | 77.1 Ų | 77.1 | 48% | 0.477 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 136 | 179.6 | -72.7 | -169.6 | -9.5 | 0 | 0 | 112.5 | R211 S223 | R211-Q225 PolarHBondContact NH2-O 3.22Å; S223-Q225 PolarHBondContact O-N 2.82Å |
| 226 | S | 50.9 | Low | 57.4 | Low | 78 Ų | 78 | 75.7 Ų | 75.7 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 132.5 | 168.9 | 50.5 | 0 | 0 | 0 | 0 | 111 | Y182 | Y182-S226 VanDerWaalsContact CE2-O 3.3Å; Y182-S226 WeakPolarHBondContact CE2-O 3.35Å |
| 227 | E | 64.8 | Low | 59.9 | Low | 33 Ų | 33 | 72.9 Ų | 72.9 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 139.3 | 177 | -63.3 | -68.3 | 157.7 | 0 | 0 | 111 | P208 R211 L229 D230 | P208-E227 WeakPolarHBondContact CA-OE1 3.34Å; P208-E227 HydrophobicContact CB-CG 4.33Å; P208-E227 WeakPolarHBondContact CD-OE2 3.5Å; R211-E227 IonicContact CZ-OE1 2.74Å; R211-E227 IonicContact NE-OE1 2.62Å; R211-E227 PolarHBondContact NE-OE1 3.38Å; R211-E227 IonicContact NH2-OE1 2.8Å; R211-E227 PolarHBondContact NH2-OE1 2.82Å; E227-L229 PolarHBondContact O-N 3.14Å; E227-D230 PolarHBondContact O-N 3.46Å |
| 228 | P | 73.2 | Confident | 62.5 | Low | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -27.7 | 178.7 | -31.1 | 37.5 | 0 | 0 | 0 | 115.7 | H180 I181 Y182 D230 L249 | H180-P228 HydrophobicContact CB-CG 4.27Å; I181-P228 HydrophobicContact CD1-CB 4.25Å; I181-P228 HydrophobicContact CG1-CB 4.02Å; I181-P228 HydrophobicContact CG1-CG 4.47Å; Y182-P228 HydrophobicContact CD2-CG 4.02Å; Y182-P228 HydrophobicContact CE2-CB 4.47Å; Y182-P228 HydrophobicContact CE2-CG 4.05Å; P228-D230 VanDerWaalsContact C-N 3.26Å; P228-D230 PolarHBondContact O-N 2.93Å; P228-L249 HydrophobicContact CB-CD1 3.75Å; P228-L249 HydrophobicContact CB-CD2 4.21Å |
| 229 | L | 80.3 | Confident | 65 | Low | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -26.8 | 176.8 | -69.3 | 169.1 | 0 | 0 | 0 | 113 | I205 E227 S245 A246 L249 | I205-L229 HydrophobicContact CB-CD2 4.16Å; I205-L229 HydrophobicContact CB-CG 4.47Å; E227-L229 PolarHBondContact O-N 3.14Å; L229-S245 WeakPolarHBondContact O-CB 3.21Å; L229-S245 PolarHBondContact O-OG 3.42Å; L229-A246 HydrophobicContact CD2-CB 3.73Å; L229-L249 HydrophobicContact CD2-CD1 4.11Å |
| 230 | D | 74.7 | Confident | 67.7 | Low | 102 Ų | 102 | 63.8 Ų | 63.8 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -6.1 | -173 | -89.9 | -59.1 | 0 | 0 | 0 | 114.4 | E227 P228 K235 | E227-D230 PolarHBondContact O-N 3.46Å; P228-D230 VanDerWaalsContact C-N 3.26Å; P228-D230 PolarHBondContact O-N 2.93Å; D230-K235 VanDerWaalsContact CA-NZ 3.3Å; D230-K235 WeakPolarHBondContact O-CE 3.41Å; D230-K235 PolarHBondContact O-NZ 3.48Å; D230-K235 IonicContact OD1-NZ 3.08Å; D230-K235 PolarHBondContact OD1-NZ 2.77Å |
| 231 | D | 75 | Confident | 70.3 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.112 | 34% | 0.34 | C | S | . | . | trans | -57.7 | 131.8 | -179.6 | -170.3 | -81.3 | 0 | 0 | 0 | 112.9 | I181 Y182 L233 V234 K235 | I181-D231 HydrophobicContact CD1-CB 4.15Å; Y182-D231 WeakPolarHBondContact OH-CB 3.41Å; Y182-D231 PolarHBondContact OH-OD2 3.18Å; D231-L233 PolarHBondContact O-N 3.44Å; D231-L233 WeakPolarHBondContact OD1-CB 3.19Å; D231-L233 PolarHBondContact OD1-N 2.96Å; D231-V234 HydrophobicContact CB-CB 3.99Å; D231-V234 HydrophobicContact CB-CG2 3.72Å; D231-V234 PolarHBondContact O-N 2.9Å; D231-V234 PolarHBondContact OD1-N 3.14Å; D231-K235 WeakPolarHBondContact O-CB 3.3Å; D231-K235 WeakPolarHBondContact O-CG 3.3Å; D231-K235 PolarHBondContact O-N 2.88Å | ||
| 232 | P | 72.7 | Confident | 72.7 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 61% | 0.61 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | -179.8 | -24.9 | 34.8 | 0 | 0 | 0 | 114.3 | K235 D236 | P232-K235 PolarHBondContact O-N 3.3Å; P232-D236 PolarHBondContact O-N 2.96Å |
| 233 | L | 79 | Confident | 75.3 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.199 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.1 | -39.4 | -178.8 | 172.5 | 60.9 | 0 | 0 | 0 | 110.8 | D231 K235 D236 I237 M288 M292 | D231-L233 PolarHBondContact O-N 3.44Å; D231-L233 WeakPolarHBondContact OD1-CB 3.19Å; D231-L233 PolarHBondContact OD1-N 2.96Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 3.22Å; L233-D236 PolarHBondContact O-N 3.47Å; L233-I237 HydrophobicContact CD1-CD1 3.82Å; L233-I237 HydrophobicContact CD1-CG1 4.16Å; L233-I237 HydrophobicContact CG-CD1 4.04Å; L233-I237 WeakPolarHBondContact O-CG1 3.35Å; L233-I237 PolarHBondContact O-N 2.84Å; L233-M288 HydrophobicContact CD1-CE 3.65Å; L233-M288 HydrophobicContact CD2-CB 4.16Å; L233-M292 HydrophobicContact CB-SD 4.45Å; L233-M292 HydrophobicContact CD2-CE 4.13Å; L233-M292 HydrophobicContact CD2-CG 3.93Å; L233-M292 HydrophobicContact CD2-SD 3.98Å |
| 234 | V | 83.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | I181 D231 A238 V248 L249 L289 M292 | I181-V234 HydrophobicContact CD1-CG2 3.7Å; D231-V234 HydrophobicContact CB-CB 3.99Å; D231-V234 HydrophobicContact CB-CG2 3.72Å; D231-V234 PolarHBondContact O-N 2.9Å; D231-V234 PolarHBondContact OD1-N 3.14Å; V234-A238 WeakPolarHBondContact O-CB 3.44Å; V234-A238 PolarHBondContact O-N 2.98Å; V234-V248 HydrophobicContact CG1-CB 4.25Å; V234-V248 HydrophobicContact CG1-CG1 4.21Å; V234-L249 HydrophobicContact CG1-CD1 4.43Å; V234-L249 HydrophobicContact CG1-CD2 4.24Å; V234-L249 HydrophobicContact CG1-CG 3.98Å; V234-L249 HydrophobicContact CG2-CD2 4.09Å; V234-L289 HydrophobicContact CG2-CD2 4.13Å; V234-M292 HydrophobicContact CG2-CE 4.26Å |
| 235 | K | 84.7 | Confident | 80.1 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.9 | -77.6 | 167.9 | 172.9 | 162.5 | 0 | 112.8 | D230 D231 P232 L233 A238 A239 | D230-K235 VanDerWaalsContact CA-NZ 3.3Å; D230-K235 WeakPolarHBondContact O-CE 3.41Å; D230-K235 PolarHBondContact O-NZ 3.48Å; D230-K235 IonicContact OD1-NZ 3.08Å; D230-K235 PolarHBondContact OD1-NZ 2.77Å; D231-K235 WeakPolarHBondContact O-CB 3.3Å; D231-K235 WeakPolarHBondContact O-CG 3.3Å; D231-K235 PolarHBondContact O-N 2.88Å; P232-K235 PolarHBondContact O-N 3.3Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 3.22Å; K235-A238 PolarHBondContact O-N 3.23Å; K235-A239 WeakPolarHBondContact O-CB 3.39Å; K235-A239 PolarHBondContact O-N 2.85Å |
| 236 | D | 85.3 | Confident | 82.4 | Confident | 115 Ų | 115 | 52.3 Ų | 52.3 | 62% | 0.615 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.6 | -44.1 | 177.7 | -74.7 | -19.7 | 0 | 0 | 0 | 111.8 | P232 L233 A239 K240 | P232-D236 PolarHBondContact O-N 2.96Å; L233-D236 PolarHBondContact O-N 3.47Å; D236-A239 PolarHBondContact O-N 2.89Å; D236-K240 WeakPolarHBondContact O-CB 3.3Å; D236-K240 PolarHBondContact O-N 3.14Å |
| 237 | I | 91 | Very high | 84.5 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 174.8 | -65.9 | 170.3 | 0 | 0 | 0 | 110.6 | L233 K240 H241 V248 L281 E285 L289 | L233-I237 HydrophobicContact CD1-CD1 3.82Å; L233-I237 HydrophobicContact CD1-CG1 4.16Å; L233-I237 HydrophobicContact CG-CD1 4.04Å; L233-I237 WeakPolarHBondContact O-CG1 3.35Å; L233-I237 PolarHBondContact O-N 2.84Å; I237-K240 PolarHBondContact O-N 3.47Å; I237-H241 PolarHBondContact O-CD2 3.46Å; I237-H241 PolarHBondContact O-N 2.9Å; I237-H241 VanDerWaalsContact O-N 3.12Å; I237-V248 HydrophobicContact CB-CG1 4.31Å; I237-V248 HydrophobicContact CG2-CG1 3.78Å; I237-V248 HydrophobicContact CG2-CG2 4.06Å; I237-L281 HydrophobicContact CG2-CD2 3.69Å; I237-E285 HydrophobicContact CD1-CB 4.27Å; I237-E285 HydrophobicContact CD1-CG 4.31Å; I237-E285 HydrophobicContact CG1-CG 4.28Å; I237-E285 HydrophobicContact CG2-CG 4.39Å; I237-L289 HydrophobicContact CD1-CD1 4.2Å; I237-L289 HydrophobicContact CD1-CD2 3.8Å; I237-L289 HydrophobicContact CD1-CG 3.8Å |
| 238 | A | 88.2 | Confident | 85.8 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.033 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V234 K235 K240 H241 G242 K243 V248 | V234-A238 WeakPolarHBondContact O-CB 3.44Å; V234-A238 PolarHBondContact O-N 2.98Å; K235-A238 PolarHBondContact O-N 3.23Å; A238-K240 PolarHBondContact O-N 2.97Å; A238-H241 PolarHBondContact O-N 3.23Å; A238-G242 PolarHBondContact O-N 3.06Å; A238-G242 VanDerWaalsContact O-N 3.1Å; A238-K243 CarbonylContact C-O 3.54Å; A238-K243 WeakPolarHBondContact CB-O 3.22Å; A238-K243 PolarHBondContact O-N 2.86Å; A238-V248 HydrophobicContact CB-CG2 3.74Å |
| 239 | A | 86.2 | Confident | 86.8 | Confident | 77 Ų | 77 | 47.4 Ų | 47.4 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.9 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K235 D236 H241 G242 | K235-A239 WeakPolarHBondContact O-CB 3.39Å; K235-A239 PolarHBondContact O-N 2.85Å; D236-A239 PolarHBondContact O-N 2.89Å; A239-H241 VanDerWaalsContact C-N 3.32Å; A239-H241 PolarHBondContact O-N 3.32Å; A239-G242 PolarHBondContact O-N 2.88Å |
| 240 | K | 90.6 | Very high | 87.4 | Confident | 149 Ų | 149 | 45 Ų | 45 | 65% | 0.648 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.4 | -36.3 | 178.5 | -178.2 | -178.3 | 169.2 | -159.8 | 0 | 113.4 | D236 I237 A238 E285 | D236-K240 WeakPolarHBondContact O-CB 3.3Å; D236-K240 PolarHBondContact O-N 3.14Å; I237-K240 PolarHBondContact O-N 3.47Å; A238-K240 PolarHBondContact O-N 2.97Å; K240-E285 WeakPolarHBondContact CD-OE1 3.43Å; K240-E285 VanDerWaalsContact CE-OE1 3.27Å; K240-E285 WeakPolarHBondContact CE-OE1 3.37Å; K240-E285 IonicContact NZ-OE1 2.68Å; K240-E285 PolarHBondContact NZ-OE1 3.08Å |
| 241 | H | 92.7 | Very high | 88.3 | Confident | 52 Ų | 52 | 40.7 Ų | 40.7 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -90 | -5 | 178.3 | -78.8 | -86 | 0 | 0 | 0 | 114.4 | I237 A238 A239 K243 F279 E280 E285 | I237-H241 PolarHBondContact O-CD2 3.46Å; I237-H241 PolarHBondContact O-N 2.9Å; I237-H241 VanDerWaalsContact O-N 3.12Å; A238-H241 PolarHBondContact O-N 3.23Å; A239-H241 VanDerWaalsContact C-N 3.32Å; A239-H241 PolarHBondContact O-N 3.32Å; H241-K243 HydrophobicContact CB-CB 4.35Å; H241-K243 HydrophobicContact CB-CG 3.65Å; H241-K243 WeakPolarHBondContact O-CE 3.48Å; H241-F279 HydrophobicContact CB-CD2 4.15Å; H241-F279 HydrophobicContact CB-CE2 4.38Å; H241-F279 AromaticContact ND1-CD2 3.73Å; H241-E280 PolarHBondContact CE1-O 2.92Å; H241-E285 IonicContact CD2-OE1 2.83Å; H241-E285 IonicContact CD2-OE2 3.23Å; H241-E285 IonicContact CE1-OE2 3.69Å; H241-E285 VanDerWaalsContact NE2-CD 3.28Å; H241-E285 IonicContact NE2-OE1 2.89Å; H241-E285 PolarHBondContact NE2-OE1 3.41Å; H241-E285 VanDerWaalsContact NE2-OE1 3.08Å; H241-E285 IonicContact NE2-OE2 2.66Å; H241-E285 PolarHBondContact NE2-OE2 3.23Å |
| 242 | G | 88.8 | Confident | 89.2 | Confident | 67 Ų | 67 | 39.8 Ų | 39.8 | 69% | 0.691 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 42.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A238 A239 | A238-G242 PolarHBondContact O-N 3.06Å; A238-G242 VanDerWaalsContact O-N 3.1Å; A239-G242 PolarHBondContact O-N 2.88Å |
| 243 | K | 94.2 | Very high | 90.1 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | trans | -127.2 | 177.1 | -175.3 | -56.9 | -63.2 | 161.9 | 178.9 | 0 | 110.7 | A238 H241 Q247 V248 N278 F279 | A238-K243 CarbonylContact C-O 3.54Å; A238-K243 WeakPolarHBondContact CB-O 3.22Å; A238-K243 PolarHBondContact O-N 2.86Å; H241-K243 HydrophobicContact CB-CB 4.35Å; H241-K243 HydrophobicContact CB-CG 3.65Å; H241-K243 WeakPolarHBondContact O-CE 3.48Å; K243-Q247 HydrophobicContact CB-CB 4.11Å; K243-Q247 VanDerWaalsContact CD-OE1 3.26Å; K243-V248 HydrophobicContact CB-CG2 4.48Å; K243-N278 PolarHBondContact NZ-OD1 3.13Å; K243-F279 HydrophobicContact CB-CZ 4.45Å; K243-F279 HydrophobicContact CD-CD1 3.71Å; K243-F279 HydrophobicContact CD-CD2 4.46Å; K243-F279 HydrophobicContact CD-CE1 3.81Å; K243-F279 HydrophobicContact CD-CG 4.06Å; K243-F279 HydrophobicContact CD-CZ 4.23Å; K243-F279 HydrophobicContact CG-CD1 4.11Å; K243-F279 HydrophobicContact CG-CD2 4.05Å; K243-F279 HydrophobicContact CG-CE1 3.96Å; K243-F279 HydrophobicContact CG-CE2 3.9Å; K243-F279 HydrophobicContact CG-CG 4.15Å; K243-F279 HydrophobicContact CG-CZ 3.85Å | ||
| 244 | T | 92.3 | Very high | 90.7 | Very high | 49 Ų | 49 | 34.5 Ų | 34.5 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | trans | -98.5 | 161.8 | 169.9 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | A246 Q247 V248 E272 | T244-A246 PolarHBondContact O-N 3.41Å; T244-Q247 PolarHBondContact O-N 2.88Å; T244-Q247 VanDerWaalsContact O-N 3.1Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.28Å; T244-Q247 PolarHBondContact OG1-N 3.31Å; T244-V248 PolarHBondContact O-N 3.44Å; T244-V248 VanDerWaalsContact O-N 3.08Å; T244-E272 VanDerWaalsContact CB-OE1 3.23Å; T244-E272 WeakPolarHBondContact CB-OE1 3.39Å; T244-E272 HydrophobicContact CG2-CG 4.24Å; T244-E272 WeakPolarHBondContact CG2-OE1 3.47Å; T244-E272 PolarHBondContact OG1-OE1 3.14Å | ||
| 245 | S | 91.8 | Very high | 91.1 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.1 | -40.4 | 173.3 | -50.4 | 0 | 0 | 0 | 0 | 112 | L229 Q247 V248 L249 | L229-S245 WeakPolarHBondContact O-CB 3.21Å; L229-S245 PolarHBondContact O-OG 3.42Å; S245-Q247 PolarHBondContact O-N 3.45Å; S245-V248 PolarHBondContact O-N 3.48Å; S245-L249 VanDerWaalsContact O-CG 3.26Å; S245-L249 WeakPolarHBondContact O-CG 3.46Å; S245-L249 PolarHBondContact O-N 3.23Å |
| 246 | A | 90.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I205 L229 T244 L249 L250 | I205-A246 HydrophobicContact CG2-CB 4.13Å; L229-A246 HydrophobicContact CD2-CB 3.73Å; T244-A246 PolarHBondContact O-N 3.41Å; A246-L249 PolarHBondContact O-N 2.9Å; A246-L250 WeakPolarHBondContact O-CB 3.29Å; A246-L250 WeakPolarHBondContact O-CD1 3.37Å; A246-L250 VanDerWaalsContact O-CG 3.23Å; A246-L250 WeakPolarHBondContact O-CG 3.19Å; A246-L250 PolarHBondContact O-N 3.32Å |
| 247 | Q | 94.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 177.7 | -72.5 | 177.4 | -23.3 | 0 | 0 | 112.6 | K243 T244 S245 K251 E272 V276 F279 | K243-Q247 HydrophobicContact CB-CB 4.11Å; K243-Q247 VanDerWaalsContact CD-OE1 3.26Å; T244-Q247 PolarHBondContact O-N 2.88Å; T244-Q247 VanDerWaalsContact O-N 3.1Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.28Å; T244-Q247 PolarHBondContact OG1-N 3.31Å; S245-Q247 PolarHBondContact O-N 3.45Å; Q247-K251 WeakPolarHBondContact O-CB 3.26Å; Q247-K251 PolarHBondContact O-N 3.01Å; Q247-E272 HydrophobicContact CG-CG 4.18Å; Q247-E272 PolarHBondContact NE2-O 3.22Å; Q247-V276 HydrophobicContact CB-CG1 4.11Å; Q247-V276 HydrophobicContact CG-CG1 4.04Å; Q247-F279 HydrophobicContact CB-CE1 4.28Å; Q247-F279 HydrophobicContact CB-CZ 4.32Å |
| 248 | V | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -48.6 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V234 I237 A238 K243 T244 S245 L250 K251 W252 L281 L289 | V234-V248 HydrophobicContact CG1-CB 4.25Å; V234-V248 HydrophobicContact CG1-CG1 4.21Å; I237-V248 HydrophobicContact CB-CG1 4.31Å; I237-V248 HydrophobicContact CG2-CG1 3.78Å; I237-V248 HydrophobicContact CG2-CG2 4.06Å; A238-V248 HydrophobicContact CB-CG2 3.74Å; K243-V248 HydrophobicContact CB-CG2 4.48Å; T244-V248 PolarHBondContact O-N 3.44Å; T244-V248 VanDerWaalsContact O-N 3.08Å; S245-V248 PolarHBondContact O-N 3.48Å; V248-L250 PolarHBondContact O-N 3.49Å; V248-K251 PolarHBondContact O-N 3.29Å; V248-W252 WeakPolarHBondContact O-CB 3.31Å; V248-W252 PolarHBondContact O-N 3.48Å; V248-L281 HydrophobicContact CG1-CD1 4.35Å; V248-L281 HydrophobicContact CG1-CD2 4.32Å; V248-L289 HydrophobicContact CG1-CD1 4.05Å |
| 249 | L | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60 | -45.5 | 178.5 | -67.7 | 166.3 | 0 | 0 | 0 | 112 | I181 I205 P228 L229 V234 S245 A246 W252 L253 | I181-L249 HydrophobicContact CB-CD2 4.39Å; I181-L249 HydrophobicContact CD1-CD2 4.13Å; I181-L249 HydrophobicContact CG1-CD2 3.95Å; I181-L249 HydrophobicContact CG2-CD2 3.62Å; I205-L249 HydrophobicContact CB-CD1 4.39Å; I205-L249 HydrophobicContact CG2-CB 4.26Å; I205-L249 HydrophobicContact CG2-CD1 4.37Å; P228-L249 HydrophobicContact CB-CD1 3.75Å; P228-L249 HydrophobicContact CB-CD2 4.21Å; L229-L249 HydrophobicContact CD2-CD1 4.11Å; V234-L249 HydrophobicContact CG1-CD1 4.43Å; V234-L249 HydrophobicContact CG1-CD2 4.24Å; V234-L249 HydrophobicContact CG1-CG 3.98Å; V234-L249 HydrophobicContact CG2-CD2 4.09Å; S245-L249 VanDerWaalsContact O-CG 3.26Å; S245-L249 WeakPolarHBondContact O-CG 3.46Å; S245-L249 PolarHBondContact O-N 3.23Å; A246-L249 PolarHBondContact O-N 2.9Å; L249-W252 PolarHBondContact O-N 2.71Å; L249-L253 PolarHBondContact O-N 2.89Å |
| 250 | L | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.2 | -72.8 | 167.4 | 0 | 0 | 0 | 112.1 | M17 P204 I205 A246 V248 L254 V260 P262 N273 V276 | M17-L250 HydrophobicContact CE-CD1 4.38Å; P204-L250 HydrophobicContact CB-CD2 3.87Å; P204-L250 HydrophobicContact CG-CD2 3.68Å; I205-L250 HydrophobicContact CG2-CD1 4.41Å; I205-L250 HydrophobicContact CG2-CD2 4.42Å; I205-L250 HydrophobicContact CG2-CG 4Å; A246-L250 WeakPolarHBondContact O-CB 3.29Å; A246-L250 WeakPolarHBondContact O-CD1 3.37Å; A246-L250 VanDerWaalsContact O-CG 3.23Å; A246-L250 WeakPolarHBondContact O-CG 3.19Å; A246-L250 PolarHBondContact O-N 3.32Å; V248-L250 PolarHBondContact O-N 3.49Å; L250-L254 WeakPolarHBondContact O-CB 3.42Å; L250-L254 WeakPolarHBondContact O-CD1 3.4Å; L250-L254 VanDerWaalsContact O-CG 3.29Å; L250-L254 WeakPolarHBondContact O-CG 3.12Å; L250-L254 PolarHBondContact O-N 2.67Å; L250-V260 HydrophobicContact CD2-CB 3.89Å; L250-V260 HydrophobicContact CD2-CG1 4.42Å; L250-V260 HydrophobicContact CD2-CG2 3.77Å; L250-P262 HydrophobicContact CD1-CB 4.43Å; L250-P262 HydrophobicContact CD1-CG 4.18Å; L250-P262 HydrophobicContact CD2-CB 4.06Å; L250-P262 HydrophobicContact CD2-CG 3.77Å; L250-N273 HydrophobicContact CD1-CB 3.92Å; L250-N273 WeakPolarHBondContact CD1-OD1 3.46Å; L250-V276 HydrophobicContact CB-CG1 3.87Å; L250-V276 HydrophobicContact CD1-CG1 4.16Å |
| 251 | K | 94.1 | Very high | 92 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 6% | 0.057 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.8 | -38 | 179.7 | -173.7 | 72.2 | -152.5 | -154.9 | 0 | 112.2 | Q247 V248 L254 Q255 V276 F279 E280 L281 | Q247-K251 WeakPolarHBondContact O-CB 3.26Å; Q247-K251 PolarHBondContact O-N 3.01Å; V248-K251 PolarHBondContact O-N 3.29Å; K251-L254 CarbonylContact O-C 2.96Å; K251-L254 PolarHBondContact O-N 2.95Å; K251-Q255 WeakPolarHBondContact O-CB 3.44Å; K251-Q255 PolarHBondContact O-N 2.6Å; K251-V276 WeakPolarHBondContact CD-O 3.49Å; K251-F279 HydrophobicContact CB-CE1 4.09Å; K251-F279 HydrophobicContact CB-CE2 4.1Å; K251-F279 HydrophobicContact CB-CZ 3.53Å; K251-F279 HydrophobicContact CD-CE1 4.36Å; K251-F279 HydrophobicContact CD-CZ 4.4Å; K251-F279 WeakPolarHBondContact CD-O 3.37Å; K251-F279 WeakPolarHBondContact CE-O 3.43Å; K251-F279 HydrophobicContact CG-CE1 4.22Å; K251-F279 HydrophobicContact CG-CE2 3.94Å; K251-F279 HydrophobicContact CG-CZ 3.77Å; K251-F279 PolarHBondContact NZ-O 3.47Å; K251-E280 IonicContact NZ-OE1 3.14Å; K251-E280 PolarHBondContact NZ-OE1 2.73Å; K251-L281 HydrophobicContact CB-CD1 4.36Å; K251-L281 HydrophobicContact CB-CG 4.48Å; K251-L281 HydrophobicContact CG-CD1 4.33Å; K251-L281 HydrophobicContact CG-CG 4.06Å |
| 252 | W | 93.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 174.8 | 168.3 | 72.7 | 0 | 0 | 0 | 111.9 | I181 P184 V248 L249 Q255 R256 L281 L289 N290 | I181-W252 HydrophobicContact CB-CZ3 4.5Å; I181-W252 HydrophobicContact CG2-CD2 4.26Å; I181-W252 HydrophobicContact CG2-CE3 3.87Å; I181-W252 HydrophobicContact CG2-CH2 4.04Å; I181-W252 HydrophobicContact CG2-CZ2 4.38Å; I181-W252 HydrophobicContact CG2-CZ3 3.77Å; P184-W252 HydrophobicContact CB-CH2 3.88Å; P184-W252 HydrophobicContact CB-CZ2 4.16Å; V248-W252 WeakPolarHBondContact O-CB 3.31Å; V248-W252 PolarHBondContact O-N 3.48Å; L249-W252 PolarHBondContact O-N 2.71Å; W252-Q255 PolarHBondContact O-N 3.34Å; W252-R256 VanDerWaalsContact CZ2-NH1 3.27Å; W252-R256 WeakPolarHBondContact O-CG 3.41Å; W252-R256 PolarHBondContact O-N 3.15Å; W252-L281 HydrophobicContact CB-CD1 3.88Å; W252-L289 HydrophobicContact CB-CD1 3.93Å; W252-L289 HydrophobicContact CG-CB 4.33Å; W252-L289 HydrophobicContact CG-CD1 3.97Å; W252-N290 PolarHBondContact NE1-OD1 3.4Å |
| 253 | L | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 174.2 | -66 | 167.5 | 0 | 0 | 0 | 112.1 | A201 P204 L249 Q255 R256 M258 V260 | A201-L253 HydrophobicContact CB-CD1 4.11Å; A201-L253 HydrophobicContact CB-CD2 4.35Å; P204-L253 HydrophobicContact CB-CD1 3.34Å; L249-L253 PolarHBondContact O-N 2.89Å; L253-Q255 VanDerWaalsContact C-N 3.25Å; L253-Q255 PolarHBondContact O-N 2.81Å; L253-R256 WeakPolarHBondContact O-CA 3.36Å; L253-R256 WeakPolarHBondContact O-CB 3.47Å; L253-R256 PolarHBondContact O-N 2.94Å; L253-M258 HydrophobicContact CB-SD 4.42Å; L253-M258 HydrophobicContact CD2-SD 3.54Å; L253-M258 VanDerWaalsContact CD2-SD 3.54Å; L253-M258 WeakPolarHBondContact O-CB 3.43Å; L253-M258 PolarHBondContact O-N 2.7Å; L253-V260 HydrophobicContact CB-CG1 3.51Å; L253-V260 HydrophobicContact CD1-CG1 3.93Å; L253-V260 HydrophobicContact CG-CG1 4.38Å |
| 254 | L | 91.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 20 Ų | 20 | 11% | 0.11 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.7 | -22.7 | 176.5 | -76.1 | 166.6 | 0 | 0 | 0 | 113.8 | L250 K251 R256 V260 V276 | L250-L254 WeakPolarHBondContact O-CB 3.42Å; L250-L254 WeakPolarHBondContact O-CD1 3.4Å; L250-L254 VanDerWaalsContact O-CG 3.29Å; L250-L254 WeakPolarHBondContact O-CG 3.12Å; L250-L254 PolarHBondContact O-N 2.67Å; K251-L254 CarbonylContact O-C 2.96Å; K251-L254 PolarHBondContact O-N 2.95Å; L254-R256 VanDerWaalsContact C-N 3.34Å; L254-V260 HydrophobicContact CD1-CG2 4.11Å; L254-V260 HydrophobicContact CD2-CG2 4.05Å; L254-V260 HydrophobicContact CG-CG1 4.32Å; L254-V260 HydrophobicContact CG-CG2 3.95Å; L254-V276 HydrophobicContact CD1-CB 4.28Å; L254-V276 HydrophobicContact CD1-CG2 3.55Å |
| 255 | Q | 91.1 | Very high | 91.4 | Very high | 59 Ų | 59 | 20.1 Ų | 20.1 | 28% | 0.276 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -1.3 | 171.3 | -88.6 | 177.7 | -115.6 | 0 | 0 | 113.7 | K251 W252 L253 L281 M286 | K251-Q255 WeakPolarHBondContact O-CB 3.44Å; K251-Q255 PolarHBondContact O-N 2.6Å; W252-Q255 PolarHBondContact O-N 3.34Å; L253-Q255 VanDerWaalsContact C-N 3.25Å; L253-Q255 PolarHBondContact O-N 2.81Å; Q255-L281 PolarHBondContact NE2-O 3.49Å; Q255-M286 HydrophobicContact CB-CE 3.72Å; Q255-M286 HydrophobicContact CB-SD 3.9Å |
| 256 | R | 89.3 | Confident | 91.2 | Very high | 24 Ų | 24 | 22.3 Ų | 22.3 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 16.7 | 166.8 | -64.7 | 172.9 | 59.5 | -164.7 | -6 | 111.7 | P184 Y186 H189 W252 L253 L254 M258 M286 | P184-R256 PolarHBondContact O-NH1 2.79Å; P184-R256 PolarHBondContact O-NH2 3.46Å; Y186-R256 VanDerWaalsContact CD1-NH2 3.35Å; H189-R256 PolarHBondContact CE1-O 2.84Å; H189-R256 PolarHBondContact NE2-O 2.91Å; W252-R256 VanDerWaalsContact CZ2-NH1 3.27Å; W252-R256 WeakPolarHBondContact O-CG 3.41Å; W252-R256 PolarHBondContact O-N 3.15Å; L253-R256 WeakPolarHBondContact O-CA 3.36Å; L253-R256 WeakPolarHBondContact O-CB 3.47Å; L253-R256 PolarHBondContact O-N 2.94Å; L254-R256 VanDerWaalsContact C-N 3.34Å; R256-M258 HydrophobicContact CB-CG 4.25Å; R256-M258 HydrophobicContact CB-SD 4.48Å; R256-M258 VanDerWaalsContact NH2-CE 3.28Å; R256-M258 PolarHBondContact O-N 3.06Å; R256-M286 HydrophobicContact CG-CE 4.04Å |
| 257 | D | 87.1 | Confident | 90.9 | Very high | 112 Ų | 112 | 24.2 Ų | 24.2 | 60% | 0.599 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 24.3 | -175.9 | -66 | -51.8 | 0 | 0 | 0 | 115.3 | ||
| 258 | M | 89.4 | Confident | 90.6 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | trans | -83.9 | 149.5 | 175.7 | -60.6 | 179 | 166.9 | 0 | 0 | 112.6 | H189 F199 A201 L253 R256 | H189-M258 HydrophobicContact CB-CE 3.73Å; H189-M258 WeakPolarHBondContact CD2-CE 3.5Å; H189-M258 VanDerWaalsContact CG-CE 3.48Å; F199-M258 HydrophobicContact CD1-CB 4.35Å; F199-M258 HydrophobicContact CD1-CE 3.8Å; F199-M258 HydrophobicContact CD1-CG 3.8Å; F199-M258 HydrophobicContact CD1-SD 3.88Å; F199-M258 HydrophobicContact CE1-CE 3.51Å; F199-M258 HydrophobicContact CE1-CG 4.33Å; F199-M258 HydrophobicContact CE1-SD 3.78Å; F199-M258 HydrophobicContact CZ-CE 4.05Å; A201-M258 HydrophobicContact CB-SD 4.37Å; L253-M258 HydrophobicContact CB-SD 4.42Å; L253-M258 HydrophobicContact CD2-SD 3.54Å; L253-M258 VanDerWaalsContact CD2-SD 3.54Å; L253-M258 WeakPolarHBondContact O-CB 3.43Å; L253-M258 PolarHBondContact O-N 2.7Å; R256-M258 HydrophobicContact CB-CG 4.25Å; R256-M258 HydrophobicContact CB-SD 4.48Å; R256-M258 VanDerWaalsContact NH2-CE 3.28Å; R256-M258 PolarHBondContact O-N 3.06Å | ||
| 259 | I | 91.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 136.6 | 164.1 | -56.1 | 151.5 | 0 | 0 | 0 | 108.1 | I6 M14 F199 T200 A201 | I6-I259 HydrophobicContact CG2-CD1 3.87Å; I6-I259 HydrophobicContact CG2-CG1 3.86Å; M14-I259 HydrophobicContact CE-CD1 4.14Å; M14-I259 HydrophobicContact CE-CG2 4.26Å; M14-I259 HydrophobicContact CG-CD1 4.49Å; M14-I259 HydrophobicContact SD-CD1 3.73Å; F199-I259 PolarHBondContact O-N 2.88Å; T200-I259 HydrophobicContact CG2-CB 4.25Å; T200-I259 HydrophobicContact CG2-CG2 4.12Å; T200-I259 WeakPolarHBondContact OG1-CD1 3.42Å; A201-I259 PolarHBondContact N-O 3.23Å |
| 260 | V | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.1 | 177.8 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | T16 M17 G18 P204 L250 L253 L254 | T16-V260 PolarHBondContact O-N 3.2Å; M17-V260 HydrophobicContact SD-CG2 3.54Å; M17-V260 VanDerWaalsContact SD-CG2 3.54Å; G18-V260 PolarHBondContact N-O 2.89Å; P204-V260 HydrophobicContact CB-CB 4.38Å; P204-V260 HydrophobicContact CB-CG1 4.42Å; P204-V260 HydrophobicContact CG-CB 4.43Å; L250-V260 HydrophobicContact CD2-CB 3.89Å; L250-V260 HydrophobicContact CD2-CG1 4.42Å; L250-V260 HydrophobicContact CD2-CG2 3.77Å; L253-V260 HydrophobicContact CB-CG1 3.51Å; L253-V260 HydrophobicContact CD1-CG1 3.93Å; L253-V260 HydrophobicContact CG-CG1 4.38Å; L254-V260 HydrophobicContact CD1-CG2 4.11Å; L254-V260 HydrophobicContact CD2-CG2 4.05Å; L254-V260 HydrophobicContact CG-CG1 4.32Å; L254-V260 HydrophobicContact CG-CG2 3.95Å |
| 261 | I | 93.1 | Very high | 90.3 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 70.6 | 178.8 | 58 | 168.8 | 0 | 0 | 0 | 113.4 | D45 T200 A201 | D45-I261 HydrophobicContact CB-CD1 3.94Å; D45-I261 HydrophobicContact CB-CG2 4.32Å; D45-I261 WeakPolarHBondContact OD1-CD1 3.08Å; T200-I261 HydrophobicContact CG2-CD1 4.19Å; T200-I261 HydrophobicContact CG2-CG1 4.17Å; T200-I261 HydrophobicContact CG2-CG2 4.18Å; A201-I261 PolarHBondContact O-N 2.72Å |
| 262 | P | 92.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | trans | -65.1 | 151 | 171.9 | 28 | -34.2 | 0 | 0 | 0 | 112.2 | M17 G18 G20 P204 L250 N273 | M17-P262 HydrophobicContact CE-CG 3.5Å; G18-P262 WeakPolarHBondContact O-CD 3.34Å; G20-P262 PolarHBondContact N-O 3.46Å; P204-P262 HydrophobicContact CG-CB 4.12Å; L250-P262 HydrophobicContact CD1-CB 4.43Å; L250-P262 HydrophobicContact CD1-CG 4.18Å; L250-P262 HydrophobicContact CD2-CB 4.06Å; L250-P262 HydrophobicContact CD2-CG 3.77Å; P262-N273 HydrophobicContact CG-CB 4.26Å | ||
| 263 | K | 89.6 | Confident | 90.1 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | trans | -120.8 | 131.9 | 177.7 | 176.6 | -99.9 | 178.3 | 146.3 | 0 | 110.6 | G20 W22 L23 | G20-K263 VanDerWaalsContact O-CB 3.26Å; G20-K263 WeakPolarHBondContact O-CB 3.31Å; G20-K263 WeakPolarHBondContact O-CG 3.27Å; W22-K263 VanDerWaalsContact O-CD 3.3Å; W22-K263 WeakPolarHBondContact O-CD 3.41Å; W22-K263 WeakPolarHBondContact O-CE 3.37Å; W22-K263 PolarHBondContact O-NZ 3.2Å; L23-K263 PolarHBondContact O-NZ 3.03Å | ||
| 264 | S | 88.6 | Confident | 90 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 12% | 0.119 | 20% | 0.201 | C | C | . | . | trans | -158.6 | 143.2 | 165.7 | -166 | 0 | 0 | 0 | 0 | 110.5 | Y19 T266 H269 I270 | Y19-S264 VanDerWaalsContact CE2-O 3.29Å; Y19-S264 WeakPolarHBondContact CE2-O 3.44Å; Y19-S264 PolarHBondContact OH-O 3.46Å; Y19-S264 VanDerWaalsContact OH-O 3.13Å; S264-T266 PolarHBondContact OG-N 2.66Å; S264-H269 WeakPolarHBondContact OG-CB 3.29Å; S264-I270 WeakPolarHBondContact O-CD1 3.34Å; S264-I270 WeakPolarHBondContact O-CG1 3.34Å | ||
| 265 | T | 86.3 | Confident | 89.9 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 32% | 0.319 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -92.8 | -5.1 | 168.6 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | A24 P28 | A24-T265 HydrophobicContact CB-CG2 3.69Å; P28-T265 HydrophobicContact CB-CG2 3.98Å; P28-T265 WeakPolarHBondContact O-CG2 3.48Å |
| 266 | T | 87.6 | Confident | 90 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 40% | 0.399 | 20% | 0.202 | S | C | . | . | trans | -86 | 115.7 | -178.9 | -44.7 | 0 | 0 | 0 | 0 | 110.6 | S264 A268 H269 I270 | S264-T266 PolarHBondContact OG-N 2.66Å; T266-A268 HydrophobicContact CG2-CB 4.44Å; T266-A268 PolarHBondContact O-N 2.83Å; T266-A268 VanDerWaalsContact O-N 3.08Å; T266-H269 VanDerWaalsContact CB-ND1 3.31Å; T266-H269 WeakPolarHBondContact CB-ND1 3.47Å; T266-H269 PolarHBondContact O-N 3.08Å; T266-H269 PolarHBondContact OG1-ND1 2.94Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 2.95Å | ||
| 267 | A | 84.9 | Confident | 89.9 | Confident | 48 Ų | 48 | 37.7 Ų | 37.7 | 40% | 0.397 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -52.3 | -36.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | K35 I271 | K35-A267 HydrophobicContact CD-CB 4.32Å; K35-A267 HydrophobicContact CG-CB 3.99Å; A267-I271 WeakPolarHBondContact O-CD1 3.46Å; A267-I271 VanDerWaalsContact O-CG1 3.29Å; A267-I271 WeakPolarHBondContact O-CG1 3.38Å; A267-I271 PolarHBondContact O-N 3.19Å; A267-I271 VanDerWaalsContact O-N 3.16Å |
| 268 | A | 87.3 | Confident | 89.7 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 50% | 0.504 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.6 | -53.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | T266 I270 I271 E272 | T266-A268 HydrophobicContact CG2-CB 4.44Å; T266-A268 PolarHBondContact O-N 2.83Å; T266-A268 VanDerWaalsContact O-N 3.08Å; A268-I270 VanDerWaalsContact C-N 3.28Å; A268-I270 PolarHBondContact O-N 2.78Å; A268-I271 WeakPolarHBondContact O-CB 3.41Å; A268-I271 PolarHBondContact O-N 2.93Å; A268-I271 VanDerWaalsContact O-N 3.11Å; A268-E272 WeakPolarHBondContact O-CB 3.43Å; A268-E272 PolarHBondContact O-N 2.87Å |
| 269 | H | 91.2 | Very high | 89.8 | Confident | 86 Ų | 86 | 36.8 Ų | 36.8 | 40% | 0.398 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.8 | -32.1 | 178.3 | -55.8 | 145.2 | 0 | 0 | 0 | 112.6 | S264 T266 E272 N273 | S264-H269 WeakPolarHBondContact OG-CB 3.29Å; T266-H269 VanDerWaalsContact CB-ND1 3.31Å; T266-H269 WeakPolarHBondContact CB-ND1 3.47Å; T266-H269 PolarHBondContact O-N 3.08Å; T266-H269 PolarHBondContact OG1-ND1 2.94Å; H269-E272 IonicContact CD2-OE2 2.94Å; H269-E272 PolarHBondContact O-N 3.26Å; H269-N273 VanDerWaalsContact O-CB 3.26Å; H269-N273 WeakPolarHBondContact O-CB 3.03Å; H269-N273 PolarHBondContact O-N 3.22Å; H269-N273 PolarHBondContact O-ND2 3.2Å; H269-N273 VanDerWaalsContact O-ND2 3.1Å |
| 270 | I | 91.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 173.8 | -62.8 | 170.9 | 0 | 0 | 0 | 110.7 | Y19 K35 A36 Y41 S264 T266 A268 F274 | Y19-I270 HydrophobicContact CE2-CD1 3.92Å; Y19-I270 HydrophobicContact CE2-CG1 4.06Å; K35-I270 HydrophobicContact CB-CD1 4.26Å; A36-I270 HydrophobicContact CB-CG2 4.2Å; Y41-I270 HydrophobicContact CD2-CG2 4.34Å; Y41-I270 HydrophobicContact CE2-CG2 3.83Å; S264-I270 WeakPolarHBondContact O-CD1 3.34Å; S264-I270 WeakPolarHBondContact O-CG1 3.34Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 2.95Å; A268-I270 VanDerWaalsContact C-N 3.28Å; A268-I270 PolarHBondContact O-N 2.78Å; I270-F274 PolarHBondContact O-N 3.48Å |
| 271 | I | 90.4 | Very high | 89.7 | Confident | 62 Ų | 62 | 43 Ų | 43 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -46.7 | 175.7 | -66.3 | 161.3 | 0 | 0 | 0 | 110.4 | V39 A267 A268 F274 Q275 | V39-I271 HydrophobicContact CG2-CG1 3.56Å; A267-I271 WeakPolarHBondContact O-CD1 3.46Å; A267-I271 VanDerWaalsContact O-CG1 3.29Å; A267-I271 WeakPolarHBondContact O-CG1 3.38Å; A267-I271 PolarHBondContact O-N 3.19Å; A267-I271 VanDerWaalsContact O-N 3.16Å; A268-I271 WeakPolarHBondContact O-CB 3.41Å; A268-I271 PolarHBondContact O-N 2.93Å; A268-I271 VanDerWaalsContact O-N 3.11Å; I271-F274 PolarHBondContact O-N 3.04Å; I271-Q275 VanDerWaalsContact CG2-NE2 3.33Å; I271-Q275 WeakPolarHBondContact O-CG 3.12Å; I271-Q275 PolarHBondContact O-N 3.32Å |
| 272 | E | 90.3 | Very high | 89.5 | Confident | 45 Ų | 45 | 44.4 Ų | 44.4 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -50.1 | -178.2 | -175.7 | -166 | 134.7 | 0 | 0 | 112.5 | T244 Q247 A268 H269 F274 Q275 | T244-E272 VanDerWaalsContact CB-OE1 3.23Å; T244-E272 WeakPolarHBondContact CB-OE1 3.39Å; T244-E272 HydrophobicContact CG2-CG 4.24Å; T244-E272 WeakPolarHBondContact CG2-OE1 3.47Å; T244-E272 PolarHBondContact OG1-OE1 3.14Å; Q247-E272 HydrophobicContact CG-CG 4.18Å; Q247-E272 PolarHBondContact NE2-O 3.22Å; A268-E272 WeakPolarHBondContact O-CB 3.43Å; A268-E272 PolarHBondContact O-N 2.87Å; H269-E272 IonicContact CD2-OE2 2.94Å; H269-E272 PolarHBondContact O-N 3.26Å; E272-F274 PolarHBondContact O-N 3.22Å; E272-Q275 PolarHBondContact O-N 2.96Å |
| 273 | N | 93.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -33.4 | 178.6 | -74.2 | -29.8 | 0 | 0 | 0 | 111.9 | M17 L250 P262 H269 Q275 V276 | M17-N273 HydrophobicContact CE-CB 4.04Å; M17-N273 WeakPolarHBondContact CE-O 3.33Å; L250-N273 HydrophobicContact CD1-CB 3.92Å; L250-N273 WeakPolarHBondContact CD1-OD1 3.46Å; P262-N273 HydrophobicContact CG-CB 4.26Å; H269-N273 VanDerWaalsContact O-CB 3.26Å; H269-N273 WeakPolarHBondContact O-CB 3.03Å; H269-N273 PolarHBondContact O-N 3.22Å; H269-N273 PolarHBondContact O-ND2 3.2Å; H269-N273 VanDerWaalsContact O-ND2 3.1Å; N273-Q275 VanDerWaalsContact C-N 3.31Å; N273-Q275 PolarHBondContact O-N 3.3Å; N273-V276 WeakPolarHBondContact O-CG1 3.45Å; N273-V276 WeakPolarHBondContact O-CG2 3.48Å |
| 274 | F | 90.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75.2 | -18.7 | 177.8 | -161 | -109.1 | 0 | 0 | 0 | 113.5 | M17 V39 G40 Y41 I270 I271 E272 V276 | M17-F274 HydrophobicContact CG-CD2 4.15Å; M17-F274 HydrophobicContact CG-CE2 4.45Å; V39-F274 HydrophobicContact CG1-CB 3.68Å; V39-F274 HydrophobicContact CG1-CD1 3.62Å; V39-F274 HydrophobicContact CG1-CE1 4.4Å; V39-F274 HydrophobicContact CG1-CG 3.73Å; V39-F274 WeakPolarHBondContact O-CE1 3.49Å; G40-F274 VanDerWaalsContact O-CZ 3.32Å; G40-F274 WeakPolarHBondContact O-CZ 3.4Å; Y41-F274 HydrophobicContact CD1-CD2 4.21Å; Y41-F274 HydrophobicContact CD1-CE2 4.46Å; Y41-F274 AromaticContact CD2-CD2 3.73Å; Y41-F274 HydrophobicContact CD2-CD2 3.73Å; Y41-F274 HydrophobicContact CD2-CE2 4.24Å; Y41-F274 HydrophobicContact CD2-CG 4.31Å; Y41-F274 HydrophobicContact CE1-CD2 4.12Å; Y41-F274 HydrophobicContact CE2-CB 3.8Å; Y41-F274 AromaticContact CE2-CD2 3.62Å; Y41-F274 HydrophobicContact CE2-CD2 3.62Å; Y41-F274 HydrophobicContact CE2-CG 4.01Å; Y41-F274 HydrophobicContact CG-CD2 4.04Å; Y41-F274 HydrophobicContact CG-CE2 4.21Å; Y41-F274 AromaticContact CZ-CD2 3.84Å; I270-F274 PolarHBondContact O-N 3.48Å; I271-F274 PolarHBondContact O-N 3.04Å; E272-F274 PolarHBondContact O-N 3.22Å; F274-V276 PolarHBondContact O-N 2.67Å |
| 275 | Q | 89.5 | Confident | 88.3 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -82.2 | 17.6 | -178.4 | -72.8 | -179.9 | 15.5 | 0 | 0 | 114.5 | I271 E272 N273 F277 N278 | I271-Q275 VanDerWaalsContact CG2-NE2 3.33Å; I271-Q275 WeakPolarHBondContact O-CG 3.12Å; I271-Q275 PolarHBondContact O-N 3.32Å; E272-Q275 PolarHBondContact O-N 2.96Å; N273-Q275 VanDerWaalsContact C-N 3.31Å; N273-Q275 PolarHBondContact O-N 3.3Å; Q275-F277 VanDerWaalsContact C-N 3.31Å; Q275-F277 PolarHBondContact O-N 3.01Å; Q275-N278 PolarHBondContact O-ND2 2.92Å; Q275-N278 PolarHBondContact O-OD1 3.06Å |
| 276 | V | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -73.9 | -14 | 178.4 | -66.3 | 0 | 0 | 0 | 0 | 115 | M17 Q247 L250 K251 L254 N273 F274 N278 | M17-V276 HydrophobicContact SD-CG2 4.17Å; Q247-V276 HydrophobicContact CB-CG1 4.11Å; Q247-V276 HydrophobicContact CG-CG1 4.04Å; L250-V276 HydrophobicContact CB-CG1 3.87Å; L250-V276 HydrophobicContact CD1-CG1 4.16Å; K251-V276 WeakPolarHBondContact CD-O 3.49Å; L254-V276 HydrophobicContact CD1-CB 4.28Å; L254-V276 HydrophobicContact CD1-CG2 3.55Å; N273-V276 WeakPolarHBondContact O-CG1 3.45Å; N273-V276 WeakPolarHBondContact O-CG2 3.48Å; F274-V276 PolarHBondContact O-N 2.67Å; V276-N278 VanDerWaalsContact C-N 3.25Å; V276-N278 PolarHBondContact O-N 3.41Å |
| 277 | F | 87.8 | Confident | 87.7 | Confident | 49 Ų | 49 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -80.9 | 8.3 | -177.9 | -62.4 | -73.3 | 0 | 0 | 0 | 114.9 | K4 M17 Q275 | K4-F277 HydrophobicContact CB-CE1 4.43Å; K4-F277 HydrophobicContact CG-CE1 4.48Å; M17-F277 HydrophobicContact CB-CE2 4.12Å; M17-F277 HydrophobicContact CB-CZ 3.84Å; M17-F277 HydrophobicContact CG-CE2 4.28Å; M17-F277 HydrophobicContact CG-CZ 4.43Å; Q275-F277 VanDerWaalsContact C-N 3.31Å; Q275-F277 PolarHBondContact O-N 3.01Å |
| 278 | N | 83 | Confident | 87.3 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -116.6 | 8 | -171.4 | 70.2 | 14.7 | 0 | 0 | 0 | 115.8 | M1 K243 Q275 V276 | M1-N278 HydrophobicContact CE-CB 3.93Å; M1-N278 HydrophobicContact SD-CB 4.42Å; K243-N278 PolarHBondContact NZ-OD1 3.13Å; Q275-N278 PolarHBondContact O-ND2 2.92Å; Q275-N278 PolarHBondContact O-OD1 3.06Å; V276-N278 VanDerWaalsContact C-N 3.25Å; V276-N278 PolarHBondContact O-N 3.41Å |
| 279 | F | 91.2 | Very high | 86.9 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 10% | 0.096 | 25% | 0.252 | C | S | . | . | trans | -151.3 | 166.1 | 174.8 | 78.6 | -72.9 | 0 | 0 | 0 | 109.7 | H241 K243 Q247 K251 L281 | H241-F279 HydrophobicContact CB-CD2 4.15Å; H241-F279 HydrophobicContact CB-CE2 4.38Å; H241-F279 AromaticContact ND1-CD2 3.73Å; K243-F279 HydrophobicContact CB-CZ 4.45Å; K243-F279 HydrophobicContact CD-CD1 3.71Å; K243-F279 HydrophobicContact CD-CD2 4.46Å; K243-F279 HydrophobicContact CD-CE1 3.81Å; K243-F279 HydrophobicContact CD-CG 4.06Å; K243-F279 HydrophobicContact CD-CZ 4.23Å; K243-F279 HydrophobicContact CG-CD1 4.11Å; K243-F279 HydrophobicContact CG-CD2 4.05Å; K243-F279 HydrophobicContact CG-CE1 3.96Å; K243-F279 HydrophobicContact CG-CE2 3.9Å; K243-F279 HydrophobicContact CG-CG 4.15Å; K243-F279 HydrophobicContact CG-CZ 3.85Å; Q247-F279 HydrophobicContact CB-CE1 4.28Å; Q247-F279 HydrophobicContact CB-CZ 4.32Å; K251-F279 HydrophobicContact CB-CE1 4.09Å; K251-F279 HydrophobicContact CB-CE2 4.1Å; K251-F279 HydrophobicContact CB-CZ 3.53Å; K251-F279 HydrophobicContact CD-CE1 4.36Å; K251-F279 HydrophobicContact CD-CZ 4.4Å; K251-F279 WeakPolarHBondContact CD-O 3.37Å; K251-F279 WeakPolarHBondContact CE-O 3.43Å; K251-F279 HydrophobicContact CG-CE1 4.22Å; K251-F279 HydrophobicContact CG-CE2 3.94Å; K251-F279 HydrophobicContact CG-CZ 3.77Å; K251-F279 PolarHBondContact NZ-O 3.47Å; F279-L281 HydrophobicContact CE2-CD2 3.98Å; F279-L281 HydrophobicContact CE2-CG 4.42Å | ||
| 280 | E | 91 | Very high | 86.1 | Confident | 123 Ų | 123 | 48.9 Ų | 48.9 | 58% | 0.575 | 25% | 0.247 | S | C | * | . | trans | -137.2 | 146.2 | 174.7 | -44.5 | -135.9 | 103.6 | 0 | 0 | 111 | H241 K251 | H241-E280 PolarHBondContact CE1-O 2.92Å; K251-E280 IonicContact NZ-OE1 3.14Å; K251-E280 PolarHBondContact NZ-OE1 2.73Å | ||
| 281 | L | 93.2 | Very high | 84.8 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | trans | -82 | 139.4 | 173.8 | -60.6 | 174.4 | 0 | 0 | 0 | 110 | I237 V248 K251 W252 Q255 F279 E285 M286 L289 | I237-L281 HydrophobicContact CG2-CD2 3.69Å; V248-L281 HydrophobicContact CG1-CD1 4.35Å; V248-L281 HydrophobicContact CG1-CD2 4.32Å; K251-L281 HydrophobicContact CB-CD1 4.36Å; K251-L281 HydrophobicContact CB-CG 4.48Å; K251-L281 HydrophobicContact CG-CD1 4.33Å; K251-L281 HydrophobicContact CG-CG 4.06Å; W252-L281 HydrophobicContact CB-CD1 3.88Å; Q255-L281 PolarHBondContact NE2-O 3.49Å; F279-L281 HydrophobicContact CE2-CD2 3.98Å; F279-L281 HydrophobicContact CE2-CG 4.42Å; L281-E285 HydrophobicContact CB-CB 4.39Å; L281-M286 HydrophobicContact CB-CG 4.12Å; L281-M286 HydrophobicContact CB-SD 3.97Å; L281-M286 HydrophobicContact CD1-SD 3.93Å; L281-L289 HydrophobicContact CD1-CD1 3.86Å | ||
| 282 | S | 88.9 | Confident | 83.4 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | trans | -70.9 | 162.7 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 113 | E284 E285 M286 | S282-E284 VanDerWaalsContact C-N 3.26Å; S282-E284 PolarHBondContact O-N 2.93Å; S282-E285 WeakPolarHBondContact CB-OE2 3.44Å; S282-E285 PolarHBondContact N-OE2 2.85Å; S282-E285 PolarHBondContact O-N 2.75Å; S282-E285 VanDerWaalsContact OG-CG 3.24Å; S282-E285 WeakPolarHBondContact OG-CG 3.02Å; S282-E285 PolarHBondContact OG-N 2.9Å; S282-E285 PolarHBondContact OG-OE2 3.38Å; S282-M286 WeakPolarHBondContact O-CG 3.47Å; S282-M286 PolarHBondContact O-N 2.79Å | ||
| 283 | S | 78 | Confident | 81.5 | Confident | 87 Ų | 87 | 51.3 Ų | 51.3 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -50.4 | -44.9 | 174.3 | 23.2 | 0 | 0 | 0 | 0 | 112.8 | M286 K287 | S283-M286 PolarHBondContact O-N 2.78Å; S283-K287 WeakPolarHBondContact O-CB 3.22Å; S283-K287 PolarHBondContact O-N 3.26Å |
| 284 | E | 80.3 | Confident | 79.5 | Confident | 123 Ų | 123 | 54 Ų | 54 | 58% | 0.575 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 179.9 | -72.6 | 65.8 | -156.6 | 0 | 0 | 111.4 | S282 K287 M288 | S282-E284 VanDerWaalsContact C-N 3.26Å; S282-E284 PolarHBondContact O-N 2.93Å; E284-K287 PolarHBondContact O-N 3.3Å; E284-M288 VanDerWaalsContact O-CG 3.25Å; E284-M288 WeakPolarHBondContact O-CG 3.47Å; E284-M288 PolarHBondContact O-N 3.24Å |
| 285 | E | 86 | Confident | 78.4 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.028 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 176.1 | -71.4 | 160.1 | 160.2 | 0 | 0 | 111.8 | I237 K240 H241 L281 S282 K287 M288 L289 | I237-E285 HydrophobicContact CD1-CB 4.27Å; I237-E285 HydrophobicContact CD1-CG 4.31Å; I237-E285 HydrophobicContact CG1-CG 4.28Å; I237-E285 HydrophobicContact CG2-CG 4.39Å; K240-E285 WeakPolarHBondContact CD-OE1 3.43Å; K240-E285 VanDerWaalsContact CE-OE1 3.27Å; K240-E285 WeakPolarHBondContact CE-OE1 3.37Å; K240-E285 IonicContact NZ-OE1 2.68Å; K240-E285 PolarHBondContact NZ-OE1 3.08Å; H241-E285 IonicContact CD2-OE1 2.83Å; H241-E285 IonicContact CD2-OE2 3.23Å; H241-E285 IonicContact CE1-OE2 3.69Å; H241-E285 VanDerWaalsContact NE2-CD 3.28Å; H241-E285 IonicContact NE2-OE1 2.89Å; H241-E285 PolarHBondContact NE2-OE1 3.41Å; H241-E285 VanDerWaalsContact NE2-OE1 3.08Å; H241-E285 IonicContact NE2-OE2 2.66Å; H241-E285 PolarHBondContact NE2-OE2 3.23Å; L281-E285 HydrophobicContact CB-CB 4.39Å; S282-E285 WeakPolarHBondContact CB-OE2 3.44Å; S282-E285 PolarHBondContact N-OE2 2.85Å; S282-E285 PolarHBondContact O-N 2.75Å; S282-E285 VanDerWaalsContact OG-CG 3.24Å; S282-E285 WeakPolarHBondContact OG-CG 3.02Å; S282-E285 PolarHBondContact OG-N 2.9Å; S282-E285 PolarHBondContact OG-OE2 3.38Å; E285-K287 VanDerWaalsContact C-N 3.31Å; E285-K287 PolarHBondContact O-N 2.87Å; E285-M288 PolarHBondContact O-N 2.96Å; E285-L289 WeakPolarHBondContact O-CB 3.42Å; E285-L289 VanDerWaalsContact O-CG 3.28Å; E285-L289 WeakPolarHBondContact O-CG 3.5Å; E285-L289 PolarHBondContact O-N 3.1Å |
| 286 | M | 86.6 | Confident | 77.7 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 11% | 0.108 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 172.6 | -70.2 | -64.2 | -63.2 | 0 | 0 | 111.2 | Q255 R256 L281 S282 S283 N290 | Q255-M286 HydrophobicContact CB-CE 3.72Å; Q255-M286 HydrophobicContact CB-SD 3.9Å; R256-M286 HydrophobicContact CG-CE 4.04Å; L281-M286 HydrophobicContact CB-CG 4.12Å; L281-M286 HydrophobicContact CB-SD 3.97Å; L281-M286 HydrophobicContact CD1-SD 3.93Å; S282-M286 WeakPolarHBondContact O-CG 3.47Å; S282-M286 PolarHBondContact O-N 2.79Å; S283-M286 PolarHBondContact O-N 2.78Å; M286-N290 VanDerWaalsContact O-CB 3.32Å; M286-N290 WeakPolarHBondContact O-CB 3.33Å; M286-N290 PolarHBondContact O-N 2.85Å; M286-N290 PolarHBondContact O-ND2 2.96Å; M286-N290 PolarHBondContact O-OD1 3.39Å |
| 287 | K | 75.9 | Confident | 77 | Confident | 107 Ų | 107 | 61.5 Ų | 61.5 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -52.4 | 174.4 | -178.3 | 173.3 | 177.9 | 174.4 | 0 | 111.4 | S283 E284 E285 L289 N290 E291 | S283-K287 WeakPolarHBondContact O-CB 3.22Å; S283-K287 PolarHBondContact O-N 3.26Å; E284-K287 PolarHBondContact O-N 3.3Å; E285-K287 VanDerWaalsContact C-N 3.31Å; E285-K287 PolarHBondContact O-N 2.87Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-L289 PolarHBondContact O-N 2.8Å; K287-N290 PolarHBondContact O-N 2.72Å; K287-N290 VanDerWaalsContact O-N 3.08Å; K287-E291 WeakPolarHBondContact CE-OE1 3.34Å; K287-E291 VanDerWaalsContact CE-OE2 3.27Å; K287-E291 WeakPolarHBondContact CE-OE2 3.45Å; K287-E291 HydrophobicContact CG-CG 4.31Å; K287-E291 WeakPolarHBondContact CG-OE2 3.45Å; K287-E291 IonicContact NZ-OE1 2.7Å; K287-E291 PolarHBondContact NZ-OE1 3.08Å; K287-E291 WeakPolarHBondContact O-CG 3.33Å; K287-E291 PolarHBondContact O-N 3.12Å |
| 288 | M | 76.6 | Confident | 76.5 | Confident | 96 Ų | 96 | 62 Ų | 62 | 47% | 0.473 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 179.7 | -68.7 | 172.6 | 79.9 | 0 | 0 | 112.8 | L233 E284 E285 | L233-M288 HydrophobicContact CD1-CE 3.65Å; L233-M288 HydrophobicContact CD2-CB 4.16Å; E284-M288 VanDerWaalsContact O-CG 3.25Å; E284-M288 WeakPolarHBondContact O-CG 3.47Å; E284-M288 PolarHBondContact O-N 3.24Å; E285-M288 PolarHBondContact O-N 2.96Å |
| 289 | L | 78.1 | Confident | 76.6 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 175.5 | -70.7 | 175 | 0 | 0 | 0 | 112.1 | V234 I237 V248 W252 L281 E285 K287 M292 | V234-L289 HydrophobicContact CG2-CD2 4.13Å; I237-L289 HydrophobicContact CD1-CD1 4.2Å; I237-L289 HydrophobicContact CD1-CD2 3.8Å; I237-L289 HydrophobicContact CD1-CG 3.8Å; V248-L289 HydrophobicContact CG1-CD1 4.05Å; W252-L289 HydrophobicContact CB-CD1 3.93Å; W252-L289 HydrophobicContact CG-CB 4.33Å; W252-L289 HydrophobicContact CG-CD1 3.97Å; L281-L289 HydrophobicContact CD1-CD1 3.86Å; E285-L289 WeakPolarHBondContact O-CB 3.42Å; E285-L289 VanDerWaalsContact O-CG 3.28Å; E285-L289 WeakPolarHBondContact O-CG 3.5Å; E285-L289 PolarHBondContact O-N 3.1Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-L289 PolarHBondContact O-N 2.8Å; L289-M292 HydrophobicContact CD2-CE 3.59Å |
| 290 | N | 73.7 | Confident | 75.8 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 177.4 | -72.6 | -13.9 | 0 | 0 | 0 | 112.4 | Y186 W252 M286 K287 M292 | Y186-N290 WeakPolarHBondContact OH-CA 3.24Å; Y186-N290 PolarHBondContact OH-O 2.93Å; W252-N290 PolarHBondContact NE1-OD1 3.4Å; M286-N290 VanDerWaalsContact O-CB 3.32Å; M286-N290 WeakPolarHBondContact O-CB 3.33Å; M286-N290 PolarHBondContact O-N 2.85Å; M286-N290 PolarHBondContact O-ND2 2.96Å; M286-N290 PolarHBondContact O-OD1 3.39Å; K287-N290 PolarHBondContact O-N 2.72Å; K287-N290 VanDerWaalsContact O-N 3.08Å; N290-M292 VanDerWaalsContact C-N 3.34Å; N290-M292 PolarHBondContact O-N 2.81Å |
| 291 | E | 66 | Low | 75.2 | Confident | 81 Ų | 81 | 58 Ų | 58 | 38% | 0.379 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -79.4 | -7.8 | -173.4 | -73.4 | 178.7 | 147.5 | 0 | 0 | 114.8 | K287 S293 S294 | K287-E291 WeakPolarHBondContact CE-OE1 3.34Å; K287-E291 VanDerWaalsContact CE-OE2 3.27Å; K287-E291 WeakPolarHBondContact CE-OE2 3.45Å; K287-E291 HydrophobicContact CG-CG 4.31Å; K287-E291 WeakPolarHBondContact CG-OE2 3.45Å; K287-E291 IonicContact NZ-OE1 2.7Å; K287-E291 PolarHBondContact NZ-OE1 3.08Å; K287-E291 WeakPolarHBondContact O-CG 3.33Å; K287-E291 PolarHBondContact O-N 3.12Å; E291-S293 PolarHBondContact O-N 2.84Å; E291-S294 VanDerWaalsContact O-CB 3.26Å; E291-S294 WeakPolarHBondContact O-CB 3.25Å; E291-S294 PolarHBondContact O-N 2.91Å; E291-S294 PolarHBondContact O-OG 3.26Å |
| 292 | M | 60.7 | Low | 74.3 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 16% | 0.163 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -56.3 | -34.4 | -179.8 | -87.9 | -166.6 | -79.7 | 0 | 0 | 113.8 | I181 L233 V234 L289 N290 S294 | I181-M292 HydrophobicContact CB-CE 3.87Å; I181-M292 HydrophobicContact CD1-CE 3.61Å; I181-M292 HydrophobicContact CD1-SD 4.16Å; I181-M292 HydrophobicContact CG1-CE 4.35Å; I181-M292 HydrophobicContact CG2-CE 3.86Å; L233-M292 HydrophobicContact CB-SD 4.45Å; L233-M292 HydrophobicContact CD2-CE 4.13Å; L233-M292 HydrophobicContact CD2-CG 3.93Å; L233-M292 HydrophobicContact CD2-SD 3.98Å; V234-M292 HydrophobicContact CG2-CE 4.26Å; L289-M292 HydrophobicContact CD2-CE 3.59Å; N290-M292 VanDerWaalsContact C-N 3.34Å; N290-M292 PolarHBondContact O-N 2.81Å; M292-S294 PolarHBondContact O-N 3.14Å |
| 293 | S | 49.9 | Very low | 73.8 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -70.7 | -11.6 | 178.2 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | E291 K295 Y296 | E291-S293 PolarHBondContact O-N 2.84Å; S293-K295 PolarHBondContact O-N 3.42Å; S293-K295 VanDerWaalsContact O-N 3.14Å; S293-Y296 PolarHBondContact O-N 2.91Å |
| 294 | S | 51.6 | Low | 73.9 | Confident | 62 Ų | 62 | 57 Ų | 57 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -66 | -15.1 | -176.8 | 63.4 | 0 | 0 | 0 | 0 | 115.3 | E291 M292 | E291-S294 VanDerWaalsContact O-CB 3.26Å; E291-S294 WeakPolarHBondContact O-CB 3.25Å; E291-S294 PolarHBondContact O-N 2.91Å; E291-S294 PolarHBondContact O-OG 3.26Å; M292-S294 PolarHBondContact O-N 3.14Å |
| 295 | K | 67.2 | Low | 74.4 | Confident | 111 Ų | 111 | 51.1 Ų | 51.1 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -93 | -16.3 | -174.8 | -65.6 | 175 | -176 | 171.7 | 0 | 114 | S293 M307 F594 | S293-K295 PolarHBondContact O-N 3.42Å; S293-K295 VanDerWaalsContact O-N 3.14Å; K295-M307 PolarHBondContact O-N 2.94Å; K295-F594 HydrophobicContact CG-CD1 4.13Å; K295-F594 HydrophobicContact CG-CE1 4.03Å; K295-F594 HydrophobicContact CG-CZ 4.4Å |
| 296 | Y | 74 | Confident | 74.4 | Confident | 112 Ų | 112 | 51.4 Ų | 51.4 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.5 | -175.6 | -63.9 | -100.2 | 0 | 0 | 0 | 110 | S293 Q304 M305 P306 | S293-Y296 PolarHBondContact O-N 2.91Å; Y296-Q304 HydrophobicContact CD1-CB 4.17Å; Y296-M305 CarbonylContact C-O 3.51Å; Y296-M305 WeakPolarHBondContact CA-O 3.33Å; Y296-P306 HydrophobicContact CD1-CB 4.38Å; Y296-P306 HydrophobicContact CD1-CG 4.03Å; Y296-P306 HydrophobicContact CE1-CB 4.39Å; Y296-P306 HydrophobicContact CE1-CG 3.81Å |
| 297 | V | 78.3 | Confident | 74.5 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 22% | 0.218 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.1 | 164.3 | 59.2 | 0 | 0 | 0 | 0 | 109.4 | L299 M305 M307 I576 | V297-L299 PolarHBondContact O-N 3.45Å; V297-M305 HydrophobicContact CG1-CB 4.23Å; V297-M305 PolarHBondContact N-O 3.06Å; V297-M305 PolarHBondContact O-N 2.95Å; V297-M307 HydrophobicContact CB-SD 3.68Å; V297-M307 HydrophobicContact CG1-SD 3.71Å; V297-I576 HydrophobicContact CG1-CD1 3.7Å; V297-I576 HydrophobicContact CG1-CG1 3.71Å |
| 298 | T | 77.4 | Confident | 75.3 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.4 | 171.7 | -46.9 | 0 | 0 | 0 | 0 | 108.7 | Q304 | T298-Q304 VanDerWaalsContact OG1-CD 3.24Å; T298-Q304 PolarHBondContact OG1-NE2 2.96Å; T298-Q304 PolarHBondContact OG1-OE1 3.32Å |
| 299 | L | 83.9 | Confident | 76 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -62.1 | 153.9 | 169.7 | -58.5 | -175.1 | 0 | 0 | 0 | 109.2 | V297 N301 G302 V303 M305 F375 A467 H490 S515 | V297-L299 PolarHBondContact O-N 3.45Å; L299-N301 WeakPolarHBondContact CB-OD1 3.47Å; L299-N301 PolarHBondContact O-N 3.35Å; L299-G302 PolarHBondContact O-N 2.73Å; L299-V303 WeakPolarHBondContact CB-O 3.47Å; L299-V303 HydrophobicContact CD1-CB 4.39Å; L299-V303 WeakPolarHBondContact CG-O 3.48Å; L299-V303 PolarHBondContact N-O 3.26Å; L299-M305 HydrophobicContact CD1-CB 4.42Å; L299-M305 HydrophobicContact CD1-SD 4.3Å; L299-M305 HydrophobicContact CD2-CB 4.14Å; L299-M305 HydrophobicContact CD2-SD 3.93Å; L299-M305 HydrophobicContact CG-CB 4.1Å; L299-F375 HydrophobicContact CD1-CE2 4.43Å; L299-F375 HydrophobicContact CD1-CZ 4.15Å; L299-A467 HydrophobicContact CD1-CB 3.86Å; L299-H490 HydrophobicContact CB-CB 4.46Å; L299-H490 HydrophobicContact CD1-CB 4.2Å; L299-S515 VanDerWaalsContact CD2-OG 3.27Å; L299-S515 WeakPolarHBondContact CD2-OG 3.3Å | ||
| 300 | H | 74.5 | Confident | 76.7 | Confident | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.389 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -4.9 | -172.5 | 71.8 | -108.7 | 0 | 0 | 0 | 115.6 | P489 H490 S513 | H300-P489 PolarHBondContact CE1-O 3.38Å; H300-H490 AromaticContact CE1-CD2 3.74Å; H300-H490 AromaticContact CE1-CG 3.84Å; H300-H490 AromaticContact NE2-CD2 3.7Å; H300-H490 AromaticContact NE2-NE2 3.8Å; H300-S513 PolarHBondContact ND1-O 3.22Å |
| 301 | N | 79.1 | Confident | 77.5 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 7.5 | 170.7 | 69.4 | -19.5 | 0 | 0 | 0 | 113.8 | L299 V303 R466 H490 | L299-N301 WeakPolarHBondContact CB-OD1 3.47Å; L299-N301 PolarHBondContact O-N 3.35Å; N301-V303 WeakPolarHBondContact ND2-CG2 3.36Å; N301-V303 WeakPolarHBondContact OD1-CG2 3.46Å; N301-V303 PolarHBondContact OD1-N 2.73Å; N301-R466 PolarHBondContact ND2-O 2.87Å; N301-H490 WeakPolarHBondContact CB-NE2 3.34Å; N301-H490 PolarHBondContact ND2-CD2 2.87Å; N301-H490 PolarHBondContact ND2-NE2 2.96Å; N301-H490 PolarHBondContact OD1-CD2 2.74Å |
| 302 | G | 73 | Confident | 78.6 | Confident | 32 Ų | 32 | 36 Ų | 36 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 88.4 | -4.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L299 Q304 | L299-G302 PolarHBondContact O-N 2.73Å; G302-Q304 PolarHBondContact O-N 2.68Å |
| 303 | V | 79.4 | Confident | 79.4 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | trans | -74 | 127.2 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | L299 N301 F375 R466 | L299-V303 WeakPolarHBondContact CB-O 3.47Å; L299-V303 HydrophobicContact CD1-CB 4.39Å; L299-V303 WeakPolarHBondContact CG-O 3.48Å; L299-V303 PolarHBondContact N-O 3.26Å; N301-V303 WeakPolarHBondContact ND2-CG2 3.36Å; N301-V303 WeakPolarHBondContact OD1-CG2 3.46Å; N301-V303 PolarHBondContact OD1-N 2.73Å; V303-F375 HydrophobicContact CG1-CE2 3.84Å; V303-R466 HydrophobicContact CG2-CB 4.18Å | ||
| 304 | Q | 79.4 | Confident | 79.9 | Confident | 62 Ų | 62 | 38.7 Ų | 38.7 | 29% | 0.29 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125 | 177.8 | -60.7 | -63.4 | -6.7 | 0 | 0 | 110.7 | Y296 T298 G302 F375 | Y296-Q304 HydrophobicContact CD1-CB 4.17Å; T298-Q304 VanDerWaalsContact OG1-CD 3.24Å; T298-Q304 PolarHBondContact OG1-NE2 2.96Å; T298-Q304 PolarHBondContact OG1-OE1 3.32Å; G302-Q304 PolarHBondContact O-N 2.68Å; Q304-F375 VanDerWaalsContact O-CD2 3.29Å; Q304-F375 WeakPolarHBondContact O-CD2 3.28Å |
| 305 | M | 90.2 | Very high | 79.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.9 | 179.1 | -175 | 169.5 | -178.7 | 0 | 0 | 109.5 | Y296 V297 L299 M307 H343 F375 L408 I576 | Y296-M305 CarbonylContact C-O 3.51Å; Y296-M305 WeakPolarHBondContact CA-O 3.33Å; V297-M305 HydrophobicContact CG1-CB 4.23Å; V297-M305 PolarHBondContact N-O 3.06Å; V297-M305 PolarHBondContact O-N 2.95Å; L299-M305 HydrophobicContact CD1-CB 4.42Å; L299-M305 HydrophobicContact CD1-SD 4.3Å; L299-M305 HydrophobicContact CD2-CB 4.14Å; L299-M305 HydrophobicContact CD2-SD 3.93Å; L299-M305 HydrophobicContact CG-CB 4.1Å; M305-M307 PolarHBondContact O-N 2.59Å; M305-H343 WeakPolarHBondContact CE-CE1 3.44Å; M305-F375 HydrophobicContact CB-CD2 4.18Å; M305-F375 HydrophobicContact CB-CE1 4.48Å; M305-F375 HydrophobicContact CB-CE2 3.67Å; M305-F375 HydrophobicContact CB-CZ 3.84Å; M305-F375 HydrophobicContact CE-CD1 4.45Å; M305-F375 HydrophobicContact CE-CE1 3.76Å; M305-F375 HydrophobicContact CE-CZ 4.24Å; M305-F375 HydrophobicContact CG-CD1 4.15Å; M305-F375 HydrophobicContact CG-CD2 4.24Å; M305-F375 HydrophobicContact CG-CE1 3.73Å; M305-F375 HydrophobicContact CG-CE2 3.82Å; M305-F375 HydrophobicContact CG-CG 4.39Å; M305-F375 HydrophobicContact CG-CZ 3.54Å; M305-F375 HydrophobicContact SD-CE1 3.77Å; M305-F375 HydrophobicContact SD-CE2 4.41Å; M305-F375 HydrophobicContact SD-CZ 3.61Å; M305-L408 HydrophobicContact CE-CD2 3.7Å; M305-L408 HydrophobicContact SD-CD2 3.98Å; M305-I576 HydrophobicContact CE-CD1 3.96Å; M305-I576 HydrophobicContact CE-CG2 4.41Å; M305-I576 HydrophobicContact CG-CD1 4.26Å; M305-I576 HydrophobicContact SD-CD1 3.68Å |
| 306 | P | 88.1 | Confident | 78.5 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 137.8 | 177 | -24.3 | 32.5 | 0 | 0 | 0 | 112.3 | Y296 L308 R342 H343 F375 | Y296-P306 HydrophobicContact CD1-CB 4.38Å; Y296-P306 HydrophobicContact CD1-CG 4.03Å; Y296-P306 HydrophobicContact CE1-CB 4.39Å; Y296-P306 HydrophobicContact CE1-CG 3.81Å; P306-L308 PolarHBondContact O-N 3.11Å; P306-R342 HydrophobicContact CG-CB 4.32Å; P306-H343 HydrophobicContact CB-CB 3.86Å; P306-H343 HydrophobicContact CG-CB 3.86Å; P306-F375 HydrophobicContact CG-CB 4.28Å |
| 307 | M | 88.8 | Confident | 76.7 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -69.8 | -16.7 | 179.4 | -74.2 | -65.1 | -73.4 | 0 | 0 | 113.7 | K295 V297 M305 L571 M575 I576 V577 | K295-M307 PolarHBondContact O-N 2.94Å; V297-M307 HydrophobicContact CB-SD 3.68Å; V297-M307 HydrophobicContact CG1-SD 3.71Å; M305-M307 PolarHBondContact O-N 2.59Å; M307-L571 HydrophobicContact CB-CD2 3.84Å; M307-L571 HydrophobicContact CE-CD2 4.16Å; M307-L571 WeakPolarHBondContact O-CD2 3.22Å; M307-M575 WeakPolarHBondContact CE-O 3.37Å; M307-I576 WeakPolarHBondContact O-CA 3.26Å; M307-I576 HydrophobicContact SD-CG1 3.92Å; M307-V577 PolarHBondContact O-N 2.7Å |
| 308 | L | 91.5 | Very high | 74.8 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -125.4 | 118.3 | 178.8 | 173.1 | 65.2 | 0 | 0 | 0 | 109.8 | P306 Y341 V577 P579 N590 F591 L593 F594 | P306-L308 PolarHBondContact O-N 3.11Å; L308-Y341 HydrophobicContact CD1-CE1 3.81Å; L308-Y341 HydrophobicContact CD2-CE1 3.92Å; L308-Y341 HydrophobicContact CG-CD1 4.2Å; L308-Y341 HydrophobicContact CG-CE1 3.57Å; L308-V577 HydrophobicContact CD1-CG2 3.72Å; L308-P579 HydrophobicContact CD1-CG 3.84Å; L308-N590 WeakPolarHBondContact CD2-O 3.42Å; L308-F591 HydrophobicContact CD2-CD2 3.7Å; L308-F591 HydrophobicContact CD2-CE2 4.36Å; L308-F591 HydrophobicContact CD2-CG 4.42Å; L308-L593 HydrophobicContact CD1-CD1 4.23Å; L308-L593 HydrophobicContact CD2-CD1 4.3Å; L308-F594 HydrophobicContact CB-CZ 4.49Å; L308-F594 HydrophobicContact CD2-CE2 4.34Å |
| 309 | G | 91.9 | Very high | 72.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 165.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y341 H343 V577 I578 P579 | G309-Y341 WeakPolarHBondContact O-CE1 3.48Å; G309-H343 CarbonylContact C-O 3.57Å; G309-H343 WeakPolarHBondContact CA-ND1 3.24Å; G309-H343 VanDerWaalsContact CA-O 3.29Å; G309-H343 WeakPolarHBondContact CA-O 3.27Å; G309-V577 PolarHBondContact N-O 3.46Å; G309-I578 WeakPolarHBondContact O-CA 3.35Å; G309-P579 WeakPolarHBondContact O-CD 3.42Å |
| 310 | Y | 92.8 | Very high | 71 | Confident | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.5 | 179.3 | -179.5 | -95.5 | 0 | 0 | 0 | 109.9 | T312 L329 G332 L333 A336 H343 D345 S581 I587 | Y310-T312 HydrophobicContact CD1-CG2 3.91Å; Y310-T312 HydrophobicContact CE1-CG2 4.01Å; Y310-L329 HydrophobicContact CE1-CD1 4.21Å; Y310-G332 WeakPolarHBondContact OH-CA 3.16Å; Y310-L333 HydrophobicContact CD1-CD1 3.66Å; Y310-L333 HydrophobicContact CE1-CB 3.94Å; Y310-L333 HydrophobicContact CE1-CD1 3.84Å; Y310-L333 HydrophobicContact CE1-CG 4.48Å; Y310-L333 HydrophobicContact CG-CD1 4.47Å; Y310-L333 PolarHBondContact OH-N 3.23Å; Y310-A336 HydrophobicContact CD2-CB 3.55Å; Y310-A336 HydrophobicContact CE2-CB 3.81Å; Y310-A336 HydrophobicContact CG-CB 3.95Å; Y310-H343 PolarHBondContact N-O 3.48Å; Y310-D345 PolarHBondContact O-N 2.8Å; Y310-S581 WeakPolarHBondContact CE2-O 3.15Å; Y310-S581 PolarHBondContact OH-O 2.95Å; Y310-S581 VanDerWaalsContact OH-O 3.06Å; Y310-I587 HydrophobicContact CE2-CD1 4.22Å; Y310-I587 HydrophobicContact CE2-CG1 4.31Å |
| 311 | G | 90.8 | Very high | 69.6 | Low | 6 Ų | 6 | 48.8 Ų | 48.8 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P579 K580 | G311-P579 PolarHBondContact N-O 3.39Å; G311-K580 WeakPolarHBondContact O-CB 3.38Å; G311-K580 WeakPolarHBondContact O-CG 3.22Å |
| 312 | T | 87.7 | Confident | 68.5 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -105.5 | -2.4 | -172.4 | 62.9 | 0 | 0 | 0 | 0 | 115.3 | Y310 L329 I344 D345 T346 N352 I356 | Y310-T312 HydrophobicContact CD1-CG2 3.91Å; Y310-T312 HydrophobicContact CE1-CG2 4.01Å; T312-L329 HydrophobicContact CG2-CD1 4.03Å; T312-I344 HydrophobicContact CG2-CG2 3.81Å; T312-D345 WeakPolarHBondContact CB-O 3.08Å; T312-D345 WeakPolarHBondContact CG2-O 3.41Å; T312-D345 PolarHBondContact N-O 3.23Å; T312-D345 PolarHBondContact OG1-O 3.19Å; T312-T346 WeakPolarHBondContact OG1-CA 3.38Å; T312-T346 VanDerWaalsContact OG1-CB 3.22Å; T312-T346 WeakPolarHBondContact OG1-CB 3.34Å; T312-T346 PolarHBondContact OG1-OG1 2.98Å; T312-N352 WeakPolarHBondContact CB-ND2 3.19Å; T312-N352 PolarHBondContact O-ND2 3.18Å; T312-N352 PolarHBondContact OG1-ND2 2.75Å; T312-I356 HydrophobicContact CG2-CD1 3.79Å; T312-I356 HydrophobicContact CG2-CG1 4.41Å | ||
| 313 | W | 77.7 | Confident | 67.5 | Low | 102 Ų | 102 | 60 Ų | 60 | 39% | 0.386 | 31% | 0.307 | S | S | . | . | trans | -61.4 | 138.6 | -175 | -175.9 | 56.7 | 0 | 0 | 0 | 113.5 | V315 Y350 K580 | W313-V315 HydrophobicContact CE3-CG2 4.42Å; W313-V315 HydrophobicContact CH2-CG2 3.57Å; W313-V315 HydrophobicContact CZ2-CG2 4Å; W313-V315 HydrophobicContact CZ3-CG2 3.79Å; W313-Y350 HydrophobicContact CB-CD2 4.16Å; W313-Y350 HydrophobicContact CB-CE1 4.34Å; W313-Y350 HydrophobicContact CB-CE2 3.89Å; W313-Y350 AromaticContact CD1-CD1 3.34Å; W313-Y350 AromaticContact CD1-CE1 3.41Å; W313-Y350 VanDerWaalsContact CD1-CE1 3.41Å; W313-Y350 AromaticContact CD1-CG 3.82Å; W313-Y350 AromaticContact CD1-CZ 3.96Å; W313-Y350 HydrophobicContact CG-CD1 4.26Å; W313-Y350 HydrophobicContact CG-CE1 4.04Å; W313-Y350 HydrophobicContact CG-CE2 4.45Å; W313-K580 WeakPolarHBondContact O-CE 3.4Å | ||
| 314 | L | 60.7 | Low | 66.4 | Low | 34 Ų | 34 | 60.7 Ų | 60.7 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | trans | -123.3 | 143.5 | 172.3 | -67.8 | 174.6 | 0 | 0 | 0 | 110.1 | I316 E325 | L314-I316 PolarHBondContact O-N 3.08Å; L314-E325 HydrophobicContact CD1-CB 3.73Å; L314-E325 HydrophobicContact CD1-CG 4.23Å | ||
| 315 | V | 47.3 | Very low | 65.6 | Low | 33 Ų | 33 | 59 Ų | 59 | 20% | 0.2 | 31% | 0.306 | C | S | . | . | trans | -84.1 | 102.9 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | W313 C317 F318 | W313-V315 HydrophobicContact CE3-CG2 4.42Å; W313-V315 HydrophobicContact CH2-CG2 3.57Å; W313-V315 HydrophobicContact CZ2-CG2 4Å; W313-V315 HydrophobicContact CZ3-CG2 3.79Å; V315-C317 HydrophobicContact CG1-CB 4.1Å; V315-C317 PolarHBondContact O-N 3.3Å; V315-F318 HydrophobicContact CB-CD2 4.13Å; V315-F318 HydrophobicContact CG1-CD2 3.79Å; V315-F318 HydrophobicContact CG1-CE2 4.03Å; V315-F318 PolarHBondContact O-N 3.49Å | ||
| 316 | I | 42.7 | Very low | 64.6 | Low | 111 Ų | 111 | 59.9 Ų | 59.9 | 57% | 0.569 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 0.4 | -177.8 | -61.8 | 165.8 | 0 | 0 | 0 | 114.5 | L314 | L314-I316 PolarHBondContact O-N 3.08Š|
| 317 | C | 35.6 | Very low | 64 | Low | 93 Ų | 93 | 65.4 Ų | 65.4 | 63% | 0.628 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 1.2 | -174.2 | -46.7 | 0 | 0 | 0 | 0 | 115.1 | V315 | V315-C317 HydrophobicContact CG1-CB 4.1Å; V315-C317 PolarHBondContact O-N 3.3Å |
| 318 | F | 38.3 | Very low | 63.6 | Low | 152 Ų | 152 | 68.7 Ų | 68.7 | 67% | 0.667 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -120.3 | -10.5 | -170.7 | -78.1 | -71.9 | 0 | 0 | 0 | 116.7 | V315 | V315-F318 HydrophobicContact CB-CD2 4.13Å; V315-F318 HydrophobicContact CG1-CD2 3.79Å; V315-F318 HydrophobicContact CG1-CE2 4.03Å; V315-F318 PolarHBondContact O-N 3.49Å |
| 319 | V | 38.8 | Very low | 63.3 | Low | 53 Ų | 53 | 68.5 Ų | 68.5 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | trans | -128.4 | 116.4 | 175.9 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | S321 A324 E325 | V319-S321 PolarHBondContact O-N 3.43Å; V319-A324 HydrophobicContact CG1-CB 3.9Å; V319-E325 HydrophobicContact CB-CG 3.64Å; V319-E325 HydrophobicContact CG1-CG 4.08Å; V319-E325 HydrophobicContact CG2-CG 3.9Å | ||
| 320 | N | 43.6 | Very low | 63.1 | Low | 178 Ų | 178 | 71.3 Ų | 71.3 | 95% | 0.952 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -71.7 | 14.9 | -175.9 | -79.3 | -17.8 | 0 | 0 | 0 | 114.7 | ||
| 321 | S | 45.4 | Very low | 62.7 | Low | 59 Ų | 59 | 75.3 Ų | 75.3 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | trans | -149.4 | 121.7 | 173.3 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | V319 Q323 A324 | V319-S321 PolarHBondContact O-N 3.43Å; S321-Q323 PolarHBondContact O-N 3.04Å; S321-A324 PolarHBondContact O-N 2.9Å | ||
| 322 | K | 54.4 | Low | 62.6 | Low | 144 Ų | 144 | 75.1 Ų | 75.1 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -53.2 | -28.8 | 173.2 | -77.2 | -167.8 | 165.4 | -164.6 | 0 | 113.2 | E325 G326 E351 | K322-E325 PolarHBondContact O-N 3.45Å; K322-G326 PolarHBondContact O-N 3.15Å; K322-E351 IonicContact NZ-OE2 3.44Å; K322-E351 PolarHBondContact NZ-OE2 2.83Å |
| 323 | Q | 53.4 | Low | 62.7 | Low | 174 Ų | 174 | 75.2 Ų | 75.2 | 81% | 0.813 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66 | -40.3 | -177.2 | -151.3 | 169.8 | 13.2 | 0 | 0 | 112.4 | S321 G326 E327 | S321-Q323 PolarHBondContact O-N 3.04Å; Q323-G326 PolarHBondContact O-N 3.3Å; Q323-E327 PolarHBondContact O-N 3.37Å; Q323-E327 VanDerWaalsContact O-N 3.12Å |
| 324 | A | 56.2 | Low | 63.2 | Low | 33 Ų | 33 | 74 Ų | 74 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.6 | -31.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V319 S321 L328 | V319-A324 HydrophobicContact CG1-CB 3.9Å; S321-A324 PolarHBondContact O-N 2.9Å; A324-L328 WeakPolarHBondContact O-CB 3.46Å; A324-L328 VanDerWaalsContact O-CG 3.32Å; A324-L328 WeakPolarHBondContact O-CG 3.34Å; A324-L328 PolarHBondContact O-N 3.35Å |
| 325 | E | 62 | Low | 64.6 | Low | 26 Ų | 26 | 75.7 Ų | 75.7 | 12% | 0.121 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 171.7 | -69 | -162.7 | 142.4 | 0 | 0 | 112 | L314 V319 K322 L328 L329 | L314-E325 HydrophobicContact CD1-CB 3.73Å; L314-E325 HydrophobicContact CD1-CG 4.23Å; V319-E325 HydrophobicContact CB-CG 3.64Å; V319-E325 HydrophobicContact CG1-CG 4.08Å; V319-E325 HydrophobicContact CG2-CG 3.9Å; K322-E325 PolarHBondContact O-N 3.45Å; E325-L328 PolarHBondContact O-N 3.27Å; E325-L329 WeakPolarHBondContact O-CB 3.45Å; E325-L329 PolarHBondContact O-N 2.82Å |
| 326 | G | 69.8 | Low | 66.6 | Low | 18 Ų | 18 | 74.1 Ų | 74.1 | 19% | 0.186 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K322 Q323 L328 L329 Y330 | K322-G326 PolarHBondContact O-N 3.15Å; Q323-G326 PolarHBondContact O-N 3.3Å; G326-L328 PolarHBondContact O-N 2.92Å; G326-L329 PolarHBondContact O-N 2.8Å; G326-Y330 VanDerWaalsContact O-CB 3.27Å; G326-Y330 WeakPolarHBondContact O-CB 3.19Å; G326-Y330 PolarHBondContact O-N 3.08Å |
| 327 | E | 74.7 | Confident | 68.8 | Low | 128 Ų | 128 | 69 Ų | 69 | 60% | 0.598 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 179 | -175.8 | 172.8 | -164.3 | 0 | 0 | 113.1 | Q323 Y330 N331 | Q323-E327 PolarHBondContact O-N 3.37Å; Q323-E327 VanDerWaalsContact O-N 3.12Å; E327-Y330 PolarHBondContact O-N 3.49Å; E327-N331 WeakPolarHBondContact CG-ND2 3.47Å; E327-N331 WeakPolarHBondContact O-CB 3.17Å; E327-N331 PolarHBondContact O-N 2.96Å; E327-N331 VanDerWaalsContact O-N 3.07Å; E327-N331 PolarHBondContact O-ND2 3.4Å |
| 328 | L | 79.9 | Confident | 71 | Confident | 87 Ų | 87 | 69 Ų | 69 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 175.2 | -74.5 | 170.7 | 0 | 0 | 0 | 112.2 | A324 E325 G326 G332 T582 | A324-L328 WeakPolarHBondContact O-CB 3.46Å; A324-L328 VanDerWaalsContact O-CG 3.32Å; A324-L328 WeakPolarHBondContact O-CG 3.34Å; A324-L328 PolarHBondContact O-N 3.35Å; E325-L328 PolarHBondContact O-N 3.27Å; G326-L328 PolarHBondContact O-N 2.92Å; L328-G332 PolarHBondContact O-N 2.98Å; L328-G332 VanDerWaalsContact O-N 3.09Å; L328-T582 HydrophobicContact CB-CG2 4.33Å; L328-T582 WeakPolarHBondContact O-CG2 3.49Å |
| 329 | L | 86 | Confident | 73.1 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 174.5 | 177.2 | 60.6 | 0 | 0 | 0 | 111.6 | Y310 T312 E325 G326 G332 L333 N352 I356 | Y310-L329 HydrophobicContact CE1-CD1 4.21Å; T312-L329 HydrophobicContact CG2-CD1 4.03Å; E325-L329 WeakPolarHBondContact O-CB 3.45Å; E325-L329 PolarHBondContact O-N 2.82Å; G326-L329 PolarHBondContact O-N 2.8Å; L329-G332 PolarHBondContact O-N 3.4Å; L329-L333 VanDerWaalsContact O-CB 3.27Å; L329-L333 WeakPolarHBondContact O-CB 3.04Å; L329-L333 PolarHBondContact O-N 3.15Å; L329-N352 HydrophobicContact CD2-CB 3.62Å; L329-I356 HydrophobicContact CD2-CG1 4.1Å |
| 330 | Y | 86.8 | Confident | 75.2 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.2 | -53.1 | -179.5 | -173.3 | -84.9 | 0 | 0 | 0 | 111.3 | G326 E327 K334 T355 D358 V359 Q362 | G326-Y330 VanDerWaalsContact O-CB 3.27Å; G326-Y330 WeakPolarHBondContact O-CB 3.19Å; G326-Y330 PolarHBondContact O-N 3.08Å; E327-Y330 PolarHBondContact O-N 3.49Å; Y330-K334 VanDerWaalsContact O-CB 3.3Å; Y330-K334 WeakPolarHBondContact O-CB 3.42Å; Y330-K334 PolarHBondContact O-N 3.4Å; Y330-T355 HydrophobicContact CD2-CG2 4.13Å; Y330-D358 HydrophobicContact CE2-CB 4.23Å; Y330-V359 HydrophobicContact CD1-CG2 4.37Å; Y330-V359 HydrophobicContact CD2-CG2 3.28Å; Y330-V359 HydrophobicContact CE2-CG2 3.62Å; Y330-V359 HydrophobicContact CG-CG2 3.7Å; Y330-Q362 PolarHBondContact OH-NE2 2.72Å; Y330-Q362 PolarHBondContact OH-OE1 3.49Å |
| 331 | N | 85.8 | Confident | 77.4 | Confident | 87 Ų | 87 | 53.3 Ų | 53.3 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 179.5 | -71.7 | -56.6 | 0 | 0 | 0 | 112.6 | E327 K335 | E327-N331 WeakPolarHBondContact CG-ND2 3.47Å; E327-N331 WeakPolarHBondContact O-CB 3.17Å; E327-N331 PolarHBondContact O-N 2.96Å; E327-N331 VanDerWaalsContact O-N 3.07Å; E327-N331 PolarHBondContact O-ND2 3.4Å; N331-K335 WeakPolarHBondContact O-CB 3.35Å; N331-K335 PolarHBondContact O-N 2.84Å; N331-K335 VanDerWaalsContact O-N 3.08Å |
| 332 | G | 87.3 | Confident | 79.6 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y310 L328 L329 K335 A336 I587 | Y310-G332 WeakPolarHBondContact OH-CA 3.16Å; L328-G332 PolarHBondContact O-N 2.98Å; L328-G332 VanDerWaalsContact O-N 3.09Å; L329-G332 PolarHBondContact O-N 3.4Å; G332-K335 PolarHBondContact O-N 3.48Å; G332-A336 PolarHBondContact O-N 2.86Å; G332-I587 WeakPolarHBondContact O-CD1 3.44Å |
| 333 | L | 91.2 | Very high | 81.5 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | -179.5 | 177.8 | 60.6 | 0 | 0 | 0 | 111.5 | Y310 L329 K335 A336 L337 I344 I356 V359 | Y310-L333 HydrophobicContact CD1-CD1 3.66Å; Y310-L333 HydrophobicContact CE1-CB 3.94Å; Y310-L333 HydrophobicContact CE1-CD1 3.84Å; Y310-L333 HydrophobicContact CE1-CG 4.48Å; Y310-L333 HydrophobicContact CG-CD1 4.47Å; Y310-L333 PolarHBondContact OH-N 3.23Å; L329-L333 VanDerWaalsContact O-CB 3.27Å; L329-L333 WeakPolarHBondContact O-CB 3.04Å; L329-L333 PolarHBondContact O-N 3.15Å; L333-K335 VanDerWaalsContact C-N 3.32Å; L333-K335 PolarHBondContact O-N 2.87Å; L333-A336 WeakPolarHBondContact O-CB 3.47Å; L333-A336 PolarHBondContact O-N 3.31Å; L333-A336 VanDerWaalsContact O-N 3.11Å; L333-L337 HydrophobicContact CG-CD1 4.47Å; L333-L337 WeakPolarHBondContact O-CG 3.3Å; L333-L337 PolarHBondContact O-N 2.81Å; L333-I344 HydrophobicContact CD1-CD1 3.78Å; L333-I344 HydrophobicContact CD1-CG1 3.91Å; L333-I344 HydrophobicContact CD1-CG2 4.3Å; L333-I344 HydrophobicContact CD2-CD1 4.48Å; L333-I356 HydrophobicContact CD2-CB 4.24Å; L333-I356 HydrophobicContact CD2-CG1 4.13Å; L333-I356 HydrophobicContact CD2-CG2 3.95Å; L333-V359 HydrophobicContact CB-CG1 4.38Å; L333-V359 HydrophobicContact CD2-CB 3.95Å; L333-V359 HydrophobicContact CD2-CG1 4.02Å; L333-V359 HydrophobicContact CD2-CG2 4.27Å; L333-V359 HydrophobicContact CG-CB 4.39Å; L333-V359 HydrophobicContact CG-CG1 3.93Å |
| 334 | K | 88.4 | Confident | 83.5 | Confident | 77 Ų | 77 | 38.4 Ų | 38.4 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.5 | -49.1 | 172.5 | -177.7 | 166.7 | -176.1 | 164.3 | 0 | 110.8 | Y330 A336 L337 D338 V359 | Y330-K334 VanDerWaalsContact O-CB 3.3Å; Y330-K334 WeakPolarHBondContact O-CB 3.42Å; Y330-K334 PolarHBondContact O-N 3.4Å; K334-A336 VanDerWaalsContact C-N 3.29Å; K334-A336 PolarHBondContact O-N 3.44Å; K334-L337 PolarHBondContact O-N 2.6Å; K334-D338 PolarHBondContact O-N 3.43Å; K334-V359 HydrophobicContact CB-CG1 4.23Å |
| 335 | K | 88.8 | Confident | 85.4 | Confident | 69 Ų | 69 | 37 Ų | 37 | 30% | 0.3 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -32.7 | 176.9 | -177.4 | 56.2 | -175.1 | 161.6 | 0 | 113.2 | N331 G332 L333 V339 P584 I587 | N331-K335 WeakPolarHBondContact O-CB 3.35Å; N331-K335 PolarHBondContact O-N 2.84Å; N331-K335 VanDerWaalsContact O-N 3.08Å; G332-K335 PolarHBondContact O-N 3.48Å; L333-K335 VanDerWaalsContact C-N 3.32Å; L333-K335 PolarHBondContact O-N 2.87Å; K335-V339 HydrophobicContact CD-CG2 4.1Å; K335-V339 HydrophobicContact CG-CG2 4.45Å; K335-V339 WeakPolarHBondContact O-CB 3.5Å; K335-V339 WeakPolarHBondContact O-CG2 3.44Å; K335-V339 PolarHBondContact O-N 2.78Å; K335-P584 HydrophobicContact CG-CB 3.99Å; K335-P584 HydrophobicContact CG-CG 4.49Å; K335-I587 HydrophobicContact CB-CD1 4.39Å; K335-I587 HydrophobicContact CG-CD1 4.46Å; K335-I587 HydrophobicContact CG-CG2 4.4Å |
| 336 | A | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.5 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y310 G332 L333 K334 V339 G340 Y341 I587 | Y310-A336 HydrophobicContact CD2-CB 3.55Å; Y310-A336 HydrophobicContact CE2-CB 3.81Å; Y310-A336 HydrophobicContact CG-CB 3.95Å; G332-A336 PolarHBondContact O-N 2.86Å; L333-A336 WeakPolarHBondContact O-CB 3.47Å; L333-A336 PolarHBondContact O-N 3.31Å; L333-A336 VanDerWaalsContact O-N 3.11Å; K334-A336 VanDerWaalsContact C-N 3.29Å; K334-A336 PolarHBondContact O-N 3.44Å; A336-V339 PolarHBondContact O-N 2.93Å; A336-G340 PolarHBondContact O-N 2.88Å; A336-Y341 HydrophobicContact CB-CD2 3.78Å; A336-Y341 HydrophobicContact CB-CG 4.04Å; A336-Y341 WeakPolarHBondContact O-CB 3.46Å; A336-Y341 PolarHBondContact O-N 3.46Å; A336-I587 HydrophobicContact CB-CG2 4.01Å |
| 337 | L | 87.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 174.1 | -68.7 | 168.7 | 0 | 0 | 0 | 111.8 | L333 K334 V339 G340 R342 I344 V359 L360 W363 I374 | L333-L337 HydrophobicContact CG-CD1 4.47Å; L333-L337 WeakPolarHBondContact O-CG 3.3Å; L333-L337 PolarHBondContact O-N 2.81Å; K334-L337 PolarHBondContact O-N 2.6Å; L337-V339 VanDerWaalsContact C-N 3.29Å; L337-V339 PolarHBondContact O-N 3.12Å; L337-G340 PolarHBondContact O-N 3.03Å; L337-R342 PolarHBondContact O-NH1 3.5Å; L337-I344 HydrophobicContact CD2-CD1 4.45Å; L337-V359 HydrophobicContact CD1-CG1 3.77Å; L337-L360 HydrophobicContact CD1-CD2 4.36Å; L337-W363 HydrophobicContact CD1-CB 4.19Å; L337-W363 HydrophobicContact CD1-CD2 4.21Å; L337-W363 HydrophobicContact CD1-CG 3.95Å; L337-W363 HydrophobicContact CD2-CD2 4.45Å; L337-I374 HydrophobicContact CD2-CD1 3.59Å |
| 338 | D | 82.6 | Confident | 88.4 | Confident | 95 Ų | 95 | 30.6 Ų | 30.6 | 51% | 0.508 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.4 | -32.5 | 176.3 | -62.6 | -24.6 | 0 | 0 | 0 | 112.9 | K334 | K334-D338 PolarHBondContact O-N 3.43Å |
| 339 | V | 82 | Confident | 88.5 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 15% | 0.145 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -79.6 | -27.5 | 178.7 | 163.3 | 0 | 0 | 0 | 0 | 112.2 | K335 A336 L337 Y341 I587 L588 F591 | K335-V339 HydrophobicContact CD-CG2 4.1Å; K335-V339 HydrophobicContact CG-CG2 4.45Å; K335-V339 WeakPolarHBondContact O-CB 3.5Å; K335-V339 WeakPolarHBondContact O-CG2 3.44Å; K335-V339 PolarHBondContact O-N 2.78Å; A336-V339 PolarHBondContact O-N 2.93Å; L337-V339 VanDerWaalsContact C-N 3.29Å; L337-V339 PolarHBondContact O-N 3.12Å; V339-Y341 HydrophobicContact CG1-CD2 4.49Å; V339-I587 HydrophobicContact CG2-CG2 4.46Å; V339-L588 HydrophobicContact CG1-CD1 4.02Å; V339-L588 HydrophobicContact CG2-CB 4.46Å; V339-L588 HydrophobicContact CG2-CD1 4.18Å; V339-F591 HydrophobicContact CG1-CB 3.57Å; V339-F591 HydrophobicContact CG1-CD1 3.68Å; V339-F591 HydrophobicContact CG1-CD2 4.19Å; V339-F591 HydrophobicContact CG1-CE1 4.42Å; V339-F591 HydrophobicContact CG1-CG 3.55Å; V339-F591 VanDerWaalsContact O-CE1 3.31Å; V339-F591 WeakPolarHBondContact O-CE1 3.39Å |
| 340 | G | 82.8 | Confident | 88.4 | Confident | 23 Ų | 23 | 30.7 Ų | 30.7 | 24% | 0.237 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 124.2 | 6.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A336 L337 R342 F591 | A336-G340 PolarHBondContact O-N 2.88Å; L337-G340 PolarHBondContact O-N 3.03Å; G340-R342 PolarHBondContact O-N 2.65Å; G340-F591 WeakPolarHBondContact O-CE2 3.36Å |
| 341 | Y | 90 | Very high | 88.2 | Confident | 5 Ų | 5 | 33 Ų | 33 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | trans | -60.7 | 135.6 | 170.5 | -79.4 | -95.8 | 0 | 0 | 0 | 110.2 | L308 G309 A336 V339 I587 N590 F591 | L308-Y341 HydrophobicContact CD1-CE1 3.81Å; L308-Y341 HydrophobicContact CD2-CE1 3.92Å; L308-Y341 HydrophobicContact CG-CD1 4.2Å; L308-Y341 HydrophobicContact CG-CE1 3.57Å; G309-Y341 WeakPolarHBondContact O-CE1 3.48Å; A336-Y341 HydrophobicContact CB-CD2 3.78Å; A336-Y341 HydrophobicContact CB-CG 4.04Å; A336-Y341 WeakPolarHBondContact O-CB 3.46Å; A336-Y341 PolarHBondContact O-N 3.46Å; V339-Y341 HydrophobicContact CG1-CD2 4.49Å; Y341-I587 HydrophobicContact CD2-CG2 4.39Å; Y341-I587 HydrophobicContact CE2-CG2 4.01Å; Y341-N590 VanDerWaalsContact OH-CB 3.3Å; Y341-N590 WeakPolarHBondContact OH-CB 3.3Å; Y341-N590 PolarHBondContact OH-O 2.93Å; Y341-F591 AromaticContact CD2-CD2 3.83Å; Y341-F591 HydrophobicContact CD2-CD2 3.83Å; Y341-F591 HydrophobicContact CD2-CE2 4.48Å; Y341-F591 HydrophobicContact CE2-CB 3.97Å; Y341-F591 AromaticContact CE2-CD2 3.82Å; Y341-F591 HydrophobicContact CE2-CD2 3.82Å; Y341-F591 HydrophobicContact CE2-CG 4.31Å; Y341-F591 HydrophobicContact CG-CD2 4.29Å | ||
| 342 | R | 91.6 | Very high | 88.3 | Confident | 63 Ų | 63 | 29.6 Ų | 29.6 | 24% | 0.238 | 15% | 0.146 | C | C | . | . | trans | -125.7 | -16.8 | 177.1 | -64.5 | -58.7 | 176.1 | -103.9 | 6.9 | 114.1 | P306 L337 G340 D373 I374 F375 | P306-R342 HydrophobicContact CG-CB 4.32Å; L337-R342 PolarHBondContact O-NH1 3.5Å; G340-R342 PolarHBondContact O-N 2.65Å; R342-D373 WeakPolarHBondContact CB-O 3.42Å; R342-D373 VanDerWaalsContact CD-O 3.29Å; R342-D373 WeakPolarHBondContact CD-O 3.44Å; R342-I374 CarbonylContact O-C 3.48Å; R342-I374 WeakPolarHBondContact O-CA 3.47Å; R342-F375 PolarHBondContact O-N 3.21Å | ||
| 343 | H | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.3 | 168.2 | 172.5 | -150.7 | 0 | 0 | 0 | 110.7 | M305 P306 G309 Y310 F375 T377 | M305-H343 WeakPolarHBondContact CE-CE1 3.44Å; P306-H343 HydrophobicContact CB-CB 3.86Å; P306-H343 HydrophobicContact CG-CB 3.86Å; G309-H343 CarbonylContact C-O 3.57Å; G309-H343 WeakPolarHBondContact CA-ND1 3.24Å; G309-H343 VanDerWaalsContact CA-O 3.29Å; G309-H343 WeakPolarHBondContact CA-O 3.27Å; Y310-H343 PolarHBondContact N-O 3.48Å; H343-F375 CarbonylContact C-O 3.56Å; H343-F375 WeakPolarHBondContact CA-O 3.35Å; H343-F375 HydrophobicContact CB-CB 4.34Å; H343-F375 AromaticContact CD2-CD1 3.55Å; H343-F375 PolarHBondContact CD2-O 3.05Å; H343-T377 PolarHBondContact NE2-OG1 3.28Å |
| 344 | I | 95.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.6 | 174.4 | -56.6 | 166 | 0 | 0 | 0 | 108.6 | T312 L333 L337 I356 L360 I374 F375 I376 T377 | T312-I344 HydrophobicContact CG2-CG2 3.81Å; L333-I344 HydrophobicContact CD1-CD1 3.78Å; L333-I344 HydrophobicContact CD1-CG1 3.91Å; L333-I344 HydrophobicContact CD1-CG2 4.3Å; L333-I344 HydrophobicContact CD2-CD1 4.48Å; L337-I344 HydrophobicContact CD2-CD1 4.45Å; I344-I356 HydrophobicContact CG2-CG2 4.35Å; I344-L360 HydrophobicContact CD1-CD1 4.32Å; I344-L360 HydrophobicContact CD1-CD2 3.8Å; I344-L360 HydrophobicContact CD1-CG 4.34Å; I344-I374 HydrophobicContact CD1-CG2 4.08Å; I344-F375 PolarHBondContact N-O 3.16Å; I344-I376 HydrophobicContact CB-CD1 4.05Å; I344-I376 HydrophobicContact CD1-CD1 3.88Å; I344-I376 HydrophobicContact CG1-CD1 4.4Å; I344-T377 PolarHBondContact O-N 2.58Å |
| 345 | D | 96.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.9 | 175.3 | 179 | -85.5 | 0 | 0 | 0 | 111.8 | Y310 T312 T377 K379 Q493 I578 | Y310-D345 PolarHBondContact O-N 2.8Å; T312-D345 WeakPolarHBondContact CB-O 3.08Å; T312-D345 WeakPolarHBondContact CG2-O 3.41Å; T312-D345 PolarHBondContact N-O 3.23Å; T312-D345 PolarHBondContact OG1-O 3.19Å; D345-T377 WeakPolarHBondContact OD2-CG2 3.36Å; D345-K379 IonicContact OD1-NZ 3.95Å; D345-K379 PolarHBondContact OD1-NZ 3.1Å; D345-K379 IonicContact OD2-NZ 3.48Å; D345-K379 PolarHBondContact OD2-NZ 2.91Å; D345-Q493 PolarHBondContact OD2-NE2 3.09Å; D345-Q493 PolarHBondContact OD2-OE1 2.77Å; D345-I578 HydrophobicContact CB-CD1 3.68Å; D345-I578 HydrophobicContact CB-CG2 4.34Å |
| 346 | T | 94.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -138.7 | -172.6 | 173.8 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | T312 N352 E353 I356 T377 T378 K379 L401 | T312-T346 WeakPolarHBondContact OG1-CA 3.38Å; T312-T346 VanDerWaalsContact OG1-CB 3.22Å; T312-T346 WeakPolarHBondContact OG1-CB 3.34Å; T312-T346 PolarHBondContact OG1-OG1 2.98Å; T346-N352 PolarHBondContact OG1-OD1 3.07Å; T346-E353 HydrophobicContact CG2-CG 4.05Å; T346-I356 HydrophobicContact CG2-CD1 3.93Å; T346-I356 WeakPolarHBondContact OG1-CD1 3.3Å; T346-T377 PolarHBondContact N-O 2.87Å; T346-T378 WeakPolarHBondContact O-CA 3.29Å; T346-K379 WeakPolarHBondContact O-CG 3.4Å; T346-K379 PolarHBondContact O-NZ 2.56Å; T346-L401 HydrophobicContact CG2-CD2 4.35Å | ||
| 347 | A | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -158.4 | 149.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | V349 Y350 T378 K379 H412 | A347-V349 PolarHBondContact O-N 3.03Å; A347-Y350 HydrophobicContact CB-CD1 3.92Å; A347-Y350 HydrophobicContact CB-CD2 3.91Å; A347-Y350 HydrophobicContact CB-CE1 3.76Å; A347-Y350 HydrophobicContact CB-CE2 3.74Å; A347-Y350 HydrophobicContact CB-CG 3.98Å; A347-Y350 VanDerWaalsContact N-CD2 3.26Å; A347-Y350 WeakPolarHBondContact O-CB 3.21Å; A347-Y350 PolarHBondContact O-N 3.38Å; A347-T378 WeakPolarHBondContact CA-OG1 3.02Å; A347-K379 HydrophobicContact CB-CB 3.73Å; A347-K379 HydrophobicContact CB-CD 3.97Å; A347-K379 HydrophobicContact CB-CG 3.78Å; A347-H412 WeakPolarHBondContact CB-ND1 3.46Å | ||
| 348 | Y | 85.4 | Confident | 89 | Confident | 37 Ų | 37 | 31.2 Ų | 31.2 | 15% | 0.145 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -46.6 | -39.2 | 172.2 | -174.5 | -78 | 0 | 0 | 0 | 113.9 | Y350 E351 E353 T378 K379 Y384 E396 | Y348-Y350 PolarHBondContact O-N 2.7Å; Y348-E351 PolarHBondContact O-N 2.87Å; Y348-E353 WeakPolarHBondContact CA-OE2 3.39Å; Y348-E353 PolarHBondContact N-OE1 3.27Å; Y348-T378 PolarHBondContact N-OG1 2.93Å; Y348-K379 PolarHBondContact N-O 3Å; Y348-Y384 HydrophobicContact CE1-CE2 4.3Å; Y348-Y384 HydrophobicContact CE2-CE2 4.22Å; Y348-Y384 AromaticContact CZ-CE2 3.99Å; Y348-Y384 PolarHBondContact OH-OH 2.99Å; Y348-E396 HydrophobicContact CE2-CB 3.79Å; Y348-E396 WeakPolarHBondContact CE2-OE2 3.38Å; Y348-E396 VanDerWaalsContact CZ-OE2 3.25Å; Y348-E396 PolarHBondContact OH-OE2 3.46Å |
| 349 | V | 81.6 | Confident | 89.4 | Confident | 56 Ų | 56 | 26.9 Ų | 26.9 | 34% | 0.339 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -68.5 | -17.1 | -177.6 | -169.3 | 0 | 0 | 0 | 0 | 112.8 | A347 E351 P382 | A347-V349 PolarHBondContact O-N 3.03Å; V349-E351 VanDerWaalsContact C-N 3.27Å; V349-P382 HydrophobicContact CG2-CG 4.41Å |
| 350 | Y | 83.8 | Confident | 90 | Very high | 37 Ų | 37 | 25.8 Ų | 25.8 | 15% | 0.145 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -81 | -9.3 | 179.8 | -55.1 | -13.6 | 0 | 0 | 0 | 112.4 | W313 A347 Y348 N352 K379 H412 | W313-Y350 HydrophobicContact CB-CD2 4.16Å; W313-Y350 HydrophobicContact CB-CE1 4.34Å; W313-Y350 HydrophobicContact CB-CE2 3.89Å; W313-Y350 AromaticContact CD1-CD1 3.34Å; W313-Y350 AromaticContact CD1-CE1 3.41Å; W313-Y350 VanDerWaalsContact CD1-CE1 3.41Å; W313-Y350 AromaticContact CD1-CG 3.82Å; W313-Y350 AromaticContact CD1-CZ 3.96Å; W313-Y350 HydrophobicContact CG-CD1 4.26Å; W313-Y350 HydrophobicContact CG-CE1 4.04Å; W313-Y350 HydrophobicContact CG-CE2 4.45Å; A347-Y350 HydrophobicContact CB-CD1 3.92Å; A347-Y350 HydrophobicContact CB-CD2 3.91Å; A347-Y350 HydrophobicContact CB-CE1 3.76Å; A347-Y350 HydrophobicContact CB-CE2 3.74Å; A347-Y350 HydrophobicContact CB-CG 3.98Å; A347-Y350 VanDerWaalsContact N-CD2 3.26Å; A347-Y350 WeakPolarHBondContact O-CB 3.21Å; A347-Y350 PolarHBondContact O-N 3.38Å; Y348-Y350 PolarHBondContact O-N 2.7Å; Y350-N352 PolarHBondContact O-N 3.44Å; Y350-K379 PolarHBondContact OH-NZ 2.78Å; Y350-H412 AromaticContact CE1-CE1 3.67Å |
| 351 | E | 83 | Confident | 90.3 | Very high | 109 Ų | 109 | 29.3 Ų | 29.3 | 51% | 0.509 | 14% | 0.142 | S | C | . | . | S | Bend | trans | 51.6 | 22.8 | 179.2 | -59.1 | -166.9 | 165.5 | 0 | 0 | 115 | K322 Y348 V349 | K322-E351 IonicContact NZ-OE2 3.44Å; K322-E351 PolarHBondContact NZ-OE2 2.83Å; Y348-E351 PolarHBondContact O-N 2.87Å; V349-E351 VanDerWaalsContact C-N 3.27Å |
| 352 | N | 86.3 | Confident | 90.2 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | trans | -114.3 | -3.2 | -172.5 | 71.9 | -4.6 | 0 | 0 | 0 | 113.9 | T312 L329 T346 Y350 D354 T355 I356 | T312-N352 WeakPolarHBondContact CB-ND2 3.19Å; T312-N352 PolarHBondContact O-ND2 3.18Å; T312-N352 PolarHBondContact OG1-ND2 2.75Å; L329-N352 HydrophobicContact CD2-CB 3.62Å; T346-N352 PolarHBondContact OG1-OD1 3.07Å; Y350-N352 PolarHBondContact O-N 3.44Å; N352-D354 PolarHBondContact O-N 2.71Å; N352-T355 PolarHBondContact O-N 2.98Å; N352-I356 PolarHBondContact O-N 2.9Å | ||
| 353 | E | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -31.1 | -174.1 | -68.9 | 179.7 | 135.8 | 0 | 0 | 113.2 | T346 Y348 I356 G357 T378 K400 L401 | T346-E353 HydrophobicContact CG2-CG 4.05Å; Y348-E353 WeakPolarHBondContact CA-OE2 3.39Å; Y348-E353 PolarHBondContact N-OE1 3.27Å; E353-I356 PolarHBondContact O-N 3.07Å; E353-G357 PolarHBondContact O-N 2.77Å; E353-T378 PolarHBondContact OE1-OG1 2.98Å; E353-K400 HydrophobicContact CB-CB 3.75Å; E353-K400 HydrophobicContact CB-CD 4.07Å; E353-K400 CarbonylContact O-C 3.59Å; E353-K400 IonicContact OE2-NZ 2.77Å; E353-L401 HydrophobicContact CB-CD2 4.05Å; E353-L401 HydrophobicContact CB-CG 4.1Å; E353-L401 HydrophobicContact CG-CD2 4.32Å; E353-L401 HydrophobicContact CG-CG 4.43Å |
| 354 | D | 90.6 | Very high | 89.6 | Confident | 84 Ų | 84 | 33 Ų | 33 | 45% | 0.449 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.9 | -45.4 | -179.8 | -159.2 | 8.3 | 0 | 0 | 0 | 111.4 | N352 I356 G357 D358 K400 K402 | N352-D354 PolarHBondContact O-N 2.71Å; D354-I356 VanDerWaalsContact C-N 3.35Å; D354-I356 PolarHBondContact O-N 3.06Å; D354-G357 PolarHBondContact O-N 3.21Å; D354-D358 PolarHBondContact O-N 3.46Å; D354-K400 WeakPolarHBondContact CA-O 3.33Å; D354-K400 HydrophobicContact CB-CB 4.31Å; D354-K402 PolarHBondContact O-NZ 3.1Å; D354-K402 IonicContact OD1-NZ 2.73Å; D354-K402 PolarHBondContact OD1-NZ 2.84Å |
| 355 | T | 89.3 | Confident | 89.1 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 20% | 0.202 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 174.3 | -50.9 | 0 | 0 | 0 | 0 | 112.2 | Y330 N352 G357 D358 V359 | Y330-T355 HydrophobicContact CD2-CG2 4.13Å; N352-T355 PolarHBondContact O-N 2.98Å; T355-G357 VanDerWaalsContact C-N 3.34Å; T355-D358 PolarHBondContact O-N 2.89Å; T355-V359 WeakPolarHBondContact O-CG2 3.17Å; T355-V359 PolarHBondContact O-N 2.81Å; T355-V359 VanDerWaalsContact O-N 3.11Å |
| 356 | I | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 173.8 | -64.2 | 169.5 | 0 | 0 | 0 | 109.7 | T312 L329 L333 I344 T346 N352 E353 D354 D358 V359 L360 L401 | T312-I356 HydrophobicContact CG2-CD1 3.79Å; T312-I356 HydrophobicContact CG2-CG1 4.41Å; L329-I356 HydrophobicContact CD2-CG1 4.1Å; L333-I356 HydrophobicContact CD2-CB 4.24Å; L333-I356 HydrophobicContact CD2-CG1 4.13Å; L333-I356 HydrophobicContact CD2-CG2 3.95Å; I344-I356 HydrophobicContact CG2-CG2 4.35Å; T346-I356 HydrophobicContact CG2-CD1 3.93Å; T346-I356 WeakPolarHBondContact OG1-CD1 3.3Å; N352-I356 PolarHBondContact O-N 2.9Å; E353-I356 PolarHBondContact O-N 3.07Å; D354-I356 VanDerWaalsContact C-N 3.35Å; D354-I356 PolarHBondContact O-N 3.06Å; I356-D358 VanDerWaalsContact C-N 3.34Å; I356-D358 PolarHBondContact O-N 3.23Å; I356-V359 PolarHBondContact O-N 3.32Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CG 4.46Å; I356-L360 WeakPolarHBondContact O-CB 3.26Å; I356-L360 WeakPolarHBondContact O-CG 3.49Å; I356-L360 PolarHBondContact O-N 3.32Å; I356-L401 HydrophobicContact CB-CD2 4.04Å; I356-L401 HydrophobicContact CG2-CD2 3.75Å |
| 357 | G | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E353 D354 T355 K361 L401 | E353-G357 PolarHBondContact O-N 2.77Å; D354-G357 PolarHBondContact O-N 3.21Å; T355-G357 VanDerWaalsContact C-N 3.34Å; G357-K361 WeakPolarHBondContact O-CB 3.18Å; G357-K361 PolarHBondContact O-N 2.99Å; G357-L401 WeakPolarHBondContact CA-O 3.34Å |
| 358 | D | 91.2 | Very high | 86.7 | Confident | 70 Ų | 70 | 47.8 Ų | 47.8 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 175.4 | -69.9 | -21.2 | 0 | 0 | 0 | 112.9 | Y330 D354 T355 I356 Q362 K402 | Y330-D358 HydrophobicContact CE2-CB 4.23Å; D354-D358 PolarHBondContact O-N 3.46Å; T355-D358 PolarHBondContact O-N 2.89Å; I356-D358 VanDerWaalsContact C-N 3.34Å; I356-D358 PolarHBondContact O-N 3.23Å; D358-Q362 WeakPolarHBondContact O-CB 3.38Å; D358-Q362 PolarHBondContact O-N 3.3Å; D358-K402 WeakPolarHBondContact OD1-CE 3.41Å; D358-K402 IonicContact OD1-NZ 3.99Å; D358-K402 PolarHBondContact OD1-NZ 2.95Å |
| 359 | V | 92 | Very high | 86.3 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -48.8 | 174.9 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | Y330 L333 K334 L337 T355 I356 Q362 W363 | Y330-V359 HydrophobicContact CD1-CG2 4.37Å; Y330-V359 HydrophobicContact CD2-CG2 3.28Å; Y330-V359 HydrophobicContact CE2-CG2 3.62Å; Y330-V359 HydrophobicContact CG-CG2 3.7Å; L333-V359 HydrophobicContact CB-CG1 4.38Å; L333-V359 HydrophobicContact CD2-CB 3.95Å; L333-V359 HydrophobicContact CD2-CG1 4.02Å; L333-V359 HydrophobicContact CD2-CG2 4.27Å; L333-V359 HydrophobicContact CG-CB 4.39Å; L333-V359 HydrophobicContact CG-CG1 3.93Å; K334-V359 HydrophobicContact CB-CG1 4.23Å; L337-V359 HydrophobicContact CD1-CG1 3.77Å; T355-V359 WeakPolarHBondContact O-CG2 3.17Å; T355-V359 PolarHBondContact O-N 2.81Å; T355-V359 VanDerWaalsContact O-N 3.11Å; I356-V359 PolarHBondContact O-N 3.32Å; V359-Q362 PolarHBondContact O-N 3.36Å; V359-W363 WeakPolarHBondContact O-CB 3.44Å; V359-W363 PolarHBondContact O-N 3.36Å |
| 360 | L | 93.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 179.4 | -74.1 | 172.2 | 0 | 0 | 0 | 111.4 | L337 I344 I356 Q362 W363 F364 I374 I376 | L337-L360 HydrophobicContact CD1-CD2 4.36Å; I344-L360 HydrophobicContact CD1-CD1 4.32Å; I344-L360 HydrophobicContact CD1-CD2 3.8Å; I344-L360 HydrophobicContact CD1-CG 4.34Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CG 4.46Å; I356-L360 WeakPolarHBondContact O-CB 3.26Å; I356-L360 WeakPolarHBondContact O-CG 3.49Å; I356-L360 PolarHBondContact O-N 3.32Å; L360-Q362 PolarHBondContact O-N 3.34Å; L360-W363 PolarHBondContact O-N 3.36Å; L360-W363 VanDerWaalsContact O-N 3.14Å; L360-F364 HydrophobicContact CB-CE2 3.97Å; L360-F364 HydrophobicContact CB-CZ 4.15Å; L360-F364 HydrophobicContact CD2-CE1 4.5Å; L360-F364 HydrophobicContact CD2-CZ 4.09Å; L360-F364 VanDerWaalsContact O-CD2 3.23Å; L360-F364 WeakPolarHBondContact O-CD2 3.34Å; L360-F364 WeakPolarHBondContact O-CG 3.32Å; L360-F364 PolarHBondContact O-N 3.03Å; L360-I374 HydrophobicContact CD2-CG1 4.43Å; L360-I374 HydrophobicContact CD2-CG2 4.27Å; L360-I376 HydrophobicContact CD1-CD1 3.73Å |
| 361 | K | 89.6 | Confident | 86.6 | Confident | 98 Ų | 98 | 49.5 Ų | 49.5 | 43% | 0.426 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.7 | -170 | -170.9 | -175.8 | -46.5 | 0 | 111.4 | G357 W363 F364 D365 K402 | G357-K361 WeakPolarHBondContact O-CB 3.18Å; G357-K361 PolarHBondContact O-N 2.99Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-W363 PolarHBondContact O-N 2.84Å; K361-F364 PolarHBondContact O-N 3.46Å; K361-D365 IonicContact NZ-OD1 2.72Å; K361-D365 PolarHBondContact NZ-OD1 2.94Å; K361-D365 IonicContact NZ-OD2 2.7Å; K361-D365 PolarHBondContact NZ-OD2 3.44Å; K361-D365 VanDerWaalsContact O-CB 3.23Å; K361-D365 WeakPolarHBondContact O-CB 3.39Å; K361-D365 PolarHBondContact O-N 2.79Å; K361-K402 HydrophobicContact CD-CD 4.42Å |
| 362 | Q | 87.4 | Confident | 86.5 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 175.4 | 179.4 | 175.9 | 104.7 | 0 | 0 | 112 | Y330 D358 V359 L360 S366 | Y330-Q362 PolarHBondContact OH-NE2 2.72Å; Y330-Q362 PolarHBondContact OH-OE1 3.49Å; D358-Q362 WeakPolarHBondContact O-CB 3.38Å; D358-Q362 PolarHBondContact O-N 3.3Å; V359-Q362 PolarHBondContact O-N 3.36Å; L360-Q362 PolarHBondContact O-N 3.34Å; Q362-S366 VanDerWaalsContact O-CB 3.24Å; Q362-S366 WeakPolarHBondContact O-CB 3.31Å; Q362-S366 PolarHBondContact O-N 2.7Å; Q362-S366 PolarHBondContact O-OG 3.37Å |
| 363 | W | 87.8 | Confident | 86.2 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | -178.7 | -168 | 74.3 | 0 | 0 | 0 | 111.8 | L337 V359 L360 K361 S366 S368 D373 I374 | L337-W363 HydrophobicContact CD1-CB 4.19Å; L337-W363 HydrophobicContact CD1-CD2 4.21Å; L337-W363 HydrophobicContact CD1-CG 3.95Å; L337-W363 HydrophobicContact CD2-CD2 4.45Å; V359-W363 WeakPolarHBondContact O-CB 3.44Å; V359-W363 PolarHBondContact O-N 3.36Å; L360-W363 PolarHBondContact O-N 3.36Å; L360-W363 VanDerWaalsContact O-N 3.14Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-W363 PolarHBondContact O-N 2.84Å; W363-S366 PolarHBondContact O-OG 2.93Å; W363-S368 WeakPolarHBondContact CZ2-O 3.36Å; W363-S368 PolarHBondContact O-N 3.49Å; W363-D373 HydrophobicContact CH2-CB 4.23Å; W363-D373 HydrophobicContact CZ3-CB 4.46Å; W363-I374 HydrophobicContact CE3-CD1 4.42Å; W363-I374 HydrophobicContact CE3-CG1 4.37Å; W363-I374 HydrophobicContact CH2-CD1 3.88Å; W363-I374 HydrophobicContact CH2-CG1 4.29Å; W363-I374 HydrophobicContact CZ3-CD1 3.66Å; W363-I374 HydrophobicContact CZ3-CG1 3.64Å |
| 364 | F | 87.6 | Confident | 86.1 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 23% | 0.232 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.5 | -48.4 | 171.4 | -54.1 | -32.2 | 0 | 0 | 0 | 112.3 | L360 K361 S366 G367 K370 I374 L403 | L360-F364 HydrophobicContact CB-CE2 3.97Å; L360-F364 HydrophobicContact CB-CZ 4.15Å; L360-F364 HydrophobicContact CD2-CE1 4.5Å; L360-F364 HydrophobicContact CD2-CZ 4.09Å; L360-F364 VanDerWaalsContact O-CD2 3.23Å; L360-F364 WeakPolarHBondContact O-CD2 3.34Å; L360-F364 WeakPolarHBondContact O-CG 3.32Å; L360-F364 PolarHBondContact O-N 3.03Å; K361-F364 PolarHBondContact O-N 3.46Å; F364-S366 PolarHBondContact O-N 3.07Å; F364-G367 PolarHBondContact O-N 3.06Å; F364-K370 WeakPolarHBondContact CE1-O 3.22Å; F364-I374 HydrophobicContact CE1-CG1 4.25Å; F364-L403 HydrophobicContact CE2-CD2 4.08Å |
| 365 | D | 84.3 | Confident | 86.2 | Confident | 110 Ų | 110 | 47.8 Ų | 47.8 | 59% | 0.588 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.5 | -31.6 | 178.3 | -72.5 | -14.1 | 0 | 0 | 0 | 111.9 | K361 G367 | K361-D365 IonicContact NZ-OD1 2.72Å; K361-D365 PolarHBondContact NZ-OD1 2.94Å; K361-D365 IonicContact NZ-OD2 2.7Å; K361-D365 PolarHBondContact NZ-OD2 3.44Å; K361-D365 VanDerWaalsContact O-CB 3.23Å; K361-D365 WeakPolarHBondContact O-CB 3.39Å; K361-D365 PolarHBondContact O-N 2.79Å; D365-G367 VanDerWaalsContact C-N 3.29Å |
| 366 | S | 81.4 | Confident | 86.6 | Confident | 69 Ų | 69 | 46.3 Ų | 46.3 | 48% | 0.483 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -7.4 | 177.1 | 71.7 | 0 | 0 | 0 | 0 | 114.5 | Q362 W363 F364 S368 | Q362-S366 VanDerWaalsContact O-CB 3.24Å; Q362-S366 WeakPolarHBondContact O-CB 3.31Å; Q362-S366 PolarHBondContact O-N 2.7Å; Q362-S366 PolarHBondContact O-OG 3.37Å; W363-S366 PolarHBondContact O-OG 2.93Å; F364-S366 PolarHBondContact O-N 3.07Å; S366-S368 PolarHBondContact O-N 3.04Å; S366-S368 WeakPolarHBondContact OG-CB 3.22Å; S366-S368 PolarHBondContact OG-N 3.18Å; S366-S368 PolarHBondContact OG-OG 2.88Å |
| 367 | G | 75.7 | Confident | 86.8 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 68% | 0.68 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 15.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F364 D365 G369 | F364-G367 PolarHBondContact O-N 3.06Å; D365-G367 VanDerWaalsContact C-N 3.29Å; G367-G369 PolarHBondContact O-N 3.12Å |
| 368 | S | 73.1 | Confident | 87 | Confident | 71 Ų | 71 | 46.3 Ų | 46.3 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -75.1 | -12.2 | -179.8 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | W363 S366 | W363-S368 WeakPolarHBondContact CZ2-O 3.36Å; W363-S368 PolarHBondContact O-N 3.49Å; S366-S368 PolarHBondContact O-N 3.04Å; S366-S368 WeakPolarHBondContact OG-CB 3.22Å; S366-S368 PolarHBondContact OG-N 3.18Å; S366-S368 PolarHBondContact OG-OG 2.88Å |
| 369 | G | 77.4 | Confident | 87.2 | Confident | 14 Ų | 14 | 43 Ų | 43 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | trans | 173.2 | -171.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G367 D373 | G367-G369 PolarHBondContact O-N 3.12Å; G369-D373 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 370 | K | 81.9 | Confident | 87.2 | Confident | 112 Ų | 112 | 43 Ų | 43 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | trans | -128.8 | 172.1 | -171.9 | -54.1 | -177.1 | -172.7 | 168.2 | 0 | 112.8 | F364 E372 D373 | F364-K370 WeakPolarHBondContact CE1-O 3.22Å; K370-E372 VanDerWaalsContact C-N 3.26Å; K370-E372 HydrophobicContact CB-CB 4.4Å; K370-E372 WeakPolarHBondContact CD-OE1 3.32Å; K370-E372 WeakPolarHBondContact CD-OE2 3.28Å; K370-E372 IonicContact NZ-OE2 3.64Å; K370-E372 PolarHBondContact NZ-OE2 2.99Å; K370-E372 PolarHBondContact O-N 3.49Å; K370-D373 PolarHBondContact N-OD2 3.08Å; K370-D373 PolarHBondContact O-N 2.98Å | ||
| 371 | R | 89.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -54.3 | -43 | 168.2 | 172.4 | 63.4 | -162.8 | 102.7 | -3.1 | 111.9 | D373 I374 H405 D407 | R371-D373 PolarHBondContact O-N 3.21Å; R371-I374 PolarHBondContact NH1-O 3.24Å; R371-I374 PolarHBondContact O-N 3.05Å; R371-H405 PolarHBondContact NH2-CD2 3.25Å; R371-H405 PolarHBondContact NH2-NE2 2.83Å; R371-D407 IonicContact CZ-OD1 2.88Å; R371-D407 IonicContact CZ-OD2 3.76Å; R371-D407 IonicContact NH1-OD1 3.41Å; R371-D407 IonicContact NH1-OD2 2.67Å; R371-D407 PolarHBondContact NH1-OD2 3.14Å; R371-D407 IonicContact NH2-OD1 2.74Å; R371-D407 PolarHBondContact NH2-OD1 2.89Å; R371-D407 IonicContact NH2-OD2 3.89Å; R371-D407 PolarHBondContact NH2-OD2 3.37Å |
| 372 | E | 80 | Confident | 85.8 | Confident | 85 Ų | 85 | 39.7 Ų | 39.7 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -55 | -34.4 | 178.9 | -65.8 | 125.2 | -98.5 | 0 | 0 | 113.2 | E224 K370 I374 | E224-E372 HydrophobicContact CB-CB 4.48Å; E224-E372 HydrophobicContact CB-CG 4.15Å; E224-E372 HydrophobicContact CG-CG 3.8Å; K370-E372 VanDerWaalsContact C-N 3.26Å; K370-E372 HydrophobicContact CB-CB 4.4Å; K370-E372 WeakPolarHBondContact CD-OE1 3.32Å; K370-E372 WeakPolarHBondContact CD-OE2 3.28Å; K370-E372 IonicContact NZ-OE2 3.64Å; K370-E372 PolarHBondContact NZ-OE2 2.99Å; K370-E372 PolarHBondContact O-N 3.49Å; E372-I374 VanDerWaalsContact C-N 3.27Å; E372-I374 PolarHBondContact O-N 3.28Å |
| 373 | D | 81.6 | Confident | 85 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 40% | 0.401 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -75.8 | -13.5 | -173.2 | -60.2 | -45.8 | 0 | 0 | 0 | 113.4 | R342 W363 G369 K370 R371 | R342-D373 WeakPolarHBondContact CB-O 3.42Å; R342-D373 VanDerWaalsContact CD-O 3.29Å; R342-D373 WeakPolarHBondContact CD-O 3.44Å; W363-D373 HydrophobicContact CH2-CB 4.23Å; W363-D373 HydrophobicContact CZ3-CB 4.46Å; G369-D373 WeakPolarHBondContact CA-OD2 3.44Å; K370-D373 PolarHBondContact N-OD2 3.08Å; K370-D373 PolarHBondContact O-N 2.98Å; R371-D373 PolarHBondContact O-N 3.21Å |
| 374 | I | 88.5 | Confident | 84.3 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | trans | -117.4 | 135.6 | -164 | -59 | -65.1 | 0 | 0 | 0 | 111.5 | L337 R342 I344 L360 W363 F364 R371 E372 I376 | L337-I374 HydrophobicContact CD2-CD1 3.59Å; R342-I374 CarbonylContact O-C 3.48Å; R342-I374 WeakPolarHBondContact O-CA 3.47Å; I344-I374 HydrophobicContact CD1-CG2 4.08Å; L360-I374 HydrophobicContact CD2-CG1 4.43Å; L360-I374 HydrophobicContact CD2-CG2 4.27Å; W363-I374 HydrophobicContact CE3-CD1 4.42Å; W363-I374 HydrophobicContact CE3-CG1 4.37Å; W363-I374 HydrophobicContact CH2-CD1 3.88Å; W363-I374 HydrophobicContact CH2-CG1 4.29Å; W363-I374 HydrophobicContact CZ3-CD1 3.66Å; W363-I374 HydrophobicContact CZ3-CG1 3.64Å; F364-I374 HydrophobicContact CE1-CG1 4.25Å; R371-I374 PolarHBondContact NH1-O 3.24Å; R371-I374 PolarHBondContact O-N 3.05Å; E372-I374 VanDerWaalsContact C-N 3.27Å; E372-I374 PolarHBondContact O-N 3.28Å; I374-I376 HydrophobicContact CG2-CD1 3.41Å; I374-I376 VanDerWaalsContact CG2-CD1 3.41Å; I374-I376 HydrophobicContact CG2-CG1 3.94Å | ||
| 375 | F | 94 | Very high | 83.4 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.9 | 171.1 | -167.2 | -75.7 | 0 | 0 | 0 | 110.1 | L299 V303 Q304 M305 P306 R342 H343 I344 D407 L408 | L299-F375 HydrophobicContact CD1-CE2 4.43Å; L299-F375 HydrophobicContact CD1-CZ 4.15Å; V303-F375 HydrophobicContact CG1-CE2 3.84Å; Q304-F375 VanDerWaalsContact O-CD2 3.29Å; Q304-F375 WeakPolarHBondContact O-CD2 3.28Å; M305-F375 HydrophobicContact CB-CD2 4.18Å; M305-F375 HydrophobicContact CB-CE1 4.48Å; M305-F375 HydrophobicContact CB-CE2 3.67Å; M305-F375 HydrophobicContact CB-CZ 3.84Å; M305-F375 HydrophobicContact CE-CD1 4.45Å; M305-F375 HydrophobicContact CE-CE1 3.76Å; M305-F375 HydrophobicContact CE-CZ 4.24Å; M305-F375 HydrophobicContact CG-CD1 4.15Å; M305-F375 HydrophobicContact CG-CD2 4.24Å; M305-F375 HydrophobicContact CG-CE1 3.73Å; M305-F375 HydrophobicContact CG-CE2 3.82Å; M305-F375 HydrophobicContact CG-CG 4.39Å; M305-F375 HydrophobicContact CG-CZ 3.54Å; M305-F375 HydrophobicContact SD-CE1 3.77Å; M305-F375 HydrophobicContact SD-CE2 4.41Å; M305-F375 HydrophobicContact SD-CZ 3.61Å; P306-F375 HydrophobicContact CG-CB 4.28Å; R342-F375 PolarHBondContact O-N 3.21Å; H343-F375 CarbonylContact C-O 3.56Å; H343-F375 WeakPolarHBondContact CA-O 3.35Å; H343-F375 HydrophobicContact CB-CB 4.34Å; H343-F375 AromaticContact CD2-CD1 3.55Å; H343-F375 PolarHBondContact CD2-O 3.05Å; I344-F375 PolarHBondContact N-O 3.16Å; F375-D407 WeakPolarHBondContact CA-OD2 3.34Å; F375-D407 HydrophobicContact CD1-CB 3.93Å; F375-D407 HydrophobicContact CD2-CB 3.59Å; F375-D407 HydrophobicContact CE1-CB 3.97Å; F375-D407 HydrophobicContact CE2-CB 3.65Å; F375-D407 HydrophobicContact CG-CB 3.75Å; F375-D407 HydrophobicContact CZ-CB 3.84Å; F375-L408 HydrophobicContact CE1-CB 3.58Å; F375-L408 HydrophobicContact CE1-CD2 4.13Å; F375-L408 HydrophobicContact CZ-CB 3.77Å; F375-L408 HydrophobicContact CZ-CD2 4.38Å |
| 376 | I | 97 | Very high | 83.2 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.8 | -179.4 | -58.1 | -61.6 | 0 | 0 | 0 | 111 | I344 L360 I374 L401 L403 V406 D407 L408 | I344-I376 HydrophobicContact CB-CD1 4.05Å; I344-I376 HydrophobicContact CD1-CD1 3.88Å; I344-I376 HydrophobicContact CG1-CD1 4.4Å; L360-I376 HydrophobicContact CD1-CD1 3.73Å; I374-I376 HydrophobicContact CG2-CD1 3.41Å; I374-I376 VanDerWaalsContact CG2-CD1 3.41Å; I374-I376 HydrophobicContact CG2-CG1 3.94Å; I376-L401 HydrophobicContact CG2-CD1 4.13Å; I376-L403 HydrophobicContact CB-CD1 4.44Å; I376-L403 HydrophobicContact CG1-CD1 3.79Å; I376-L403 HydrophobicContact CG2-CD1 4.36Å; I376-V406 HydrophobicContact CB-CB 4.31Å; I376-V406 HydrophobicContact CB-CG1 4.38Å; I376-V406 HydrophobicContact CG2-CB 4.12Å; I376-V406 HydrophobicContact CG2-CG1 3.77Å; I376-D407 PolarHBondContact N-OD2 3.08Å; I376-D407 PolarHBondContact O-N 3.37Å; I376-D407 VanDerWaalsContact O-N 3.07Å; I376-L408 PolarHBondContact O-N 2.89Å |
| 377 | T | 97.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.6 | 168.5 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | H343 I344 D345 T346 L408 L410 | H343-T377 PolarHBondContact NE2-OG1 3.28Å; I344-T377 PolarHBondContact O-N 2.58Å; D345-T377 WeakPolarHBondContact OD2-CG2 3.36Å; T346-T377 PolarHBondContact N-O 2.87Å; T377-L408 VanDerWaalsContact CA-O 3.31Å; T377-L408 WeakPolarHBondContact CA-O 3.15Å; T377-L408 HydrophobicContact CG2-CB 4.25Å; T377-L408 HydrophobicContact CG2-CD2 3.98Å; T377-L408 HydrophobicContact CG2-CG 4.07Å; T377-L410 HydrophobicContact CG2-CD1 3.76Å; T377-L410 HydrophobicContact CG2-CG 4.03Å |
| 378 | T | 97 | Very high | 83.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 171.9 | 164.6 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | T346 A347 Y348 E353 L394 L401 V406 L408 F409 L410 | T346-T378 WeakPolarHBondContact O-CA 3.29Å; A347-T378 WeakPolarHBondContact CA-OG1 3.02Å; Y348-T378 PolarHBondContact N-OG1 2.93Å; E353-T378 PolarHBondContact OE1-OG1 2.98Å; T378-L394 HydrophobicContact CG2-CD1 4.27Å; T378-L401 HydrophobicContact CG2-CD1 4.42Å; T378-V406 HydrophobicContact CG2-CG1 4.12Å; T378-V406 HydrophobicContact CG2-CG2 4.38Å; T378-L408 PolarHBondContact N-O 3.45Å; T378-L408 VanDerWaalsContact N-O 3.11Å; T378-F409 HydrophobicContact CG2-CD2 3.8Å; T378-F409 HydrophobicContact CG2-CE2 4.05Å; T378-F409 WeakPolarHBondContact O-CA 3.45Å; T378-F409 WeakPolarHBondContact O-CD2 3.46Å; T378-L410 PolarHBondContact O-N 2.87Å |
| 379 | K | 95.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 130.3 | -168.7 | -39.3 | -178.2 | 178.8 | 67.6 | 0 | 112.4 | D345 T346 A347 Y348 Y350 S381 L410 H412 | D345-K379 IonicContact OD1-NZ 3.95Å; D345-K379 PolarHBondContact OD1-NZ 3.1Å; D345-K379 IonicContact OD2-NZ 3.48Å; D345-K379 PolarHBondContact OD2-NZ 2.91Å; T346-K379 WeakPolarHBondContact O-CG 3.4Å; T346-K379 PolarHBondContact O-NZ 2.56Å; A347-K379 HydrophobicContact CB-CB 3.73Å; A347-K379 HydrophobicContact CB-CD 3.97Å; A347-K379 HydrophobicContact CB-CG 3.78Å; Y348-K379 PolarHBondContact N-O 3Å; Y350-K379 PolarHBondContact OH-NZ 2.78Å; K379-S381 PolarHBondContact O-N 2.97Å; K379-L410 CarbonylContact C-O 3.42Å; K379-L410 WeakPolarHBondContact CA-O 3.33Å; K379-L410 HydrophobicContact CB-CB 4.31Å; K379-L410 HydrophobicContact CD-CD1 4.41Å; K379-L410 HydrophobicContact CG-CB 4.05Å; K379-L410 HydrophobicContact CG-CD1 4.32Å; K379-H412 HydrophobicContact CB-CB 3.83Å |
| 380 | L | 91.7 | Very high | 84.9 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 124.9 | 177.1 | 175.9 | 63.1 | 0 | 0 | 0 | 111.6 | Y384 V390 F409 L410 H412 Q452 M456 | L380-Y384 HydrophobicContact CD1-CD2 4.42Å; L380-V390 HydrophobicContact CD1-CB 4.37Å; L380-V390 HydrophobicContact CD1-CG1 4.19Å; L380-V390 HydrophobicContact CD1-CG2 4.35Å; L380-V390 HydrophobicContact CD2-CG1 4.13Å; L380-V390 HydrophobicContact CD2-CG2 3.89Å; L380-F409 HydrophobicContact CB-CE1 4.28Å; L380-F409 HydrophobicContact CB-CE2 4.24Å; L380-F409 HydrophobicContact CB-CZ 3.77Å; L380-F409 HydrophobicContact CD1-CZ 4.19Å; L380-L410 PolarHBondContact N-O 2.88Å; L380-H412 WeakPolarHBondContact O-CB 3.33Å; L380-Q452 HydrophobicContact CD2-CB 4.08Å; L380-Q452 HydrophobicContact CD2-CG 3.84Å; L380-M456 HydrophobicContact CB-SD 4.48Å; L380-M456 HydrophobicContact CD2-SD 4.14Å |
| 381 | S | 81.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -62.8 | 137.6 | -177.7 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | K379 R383 Y384 | K379-S381 PolarHBondContact O-N 2.97Å; S381-R383 PolarHBondContact O-N 3.45Å; S381-Y384 PolarHBondContact O-N 3.09Å | ||
| 382 | P | 72.3 | Confident | 85.3 | Confident | 26 Ų | 26 | 43 Ų | 43 | 17% | 0.169 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 9.6 | 172.4 | -18.6 | 31.3 | 0 | 0 | 0 | 115.3 | V349 H385 H412 T413 S417 | V349-P382 HydrophobicContact CG2-CG 4.41Å; P382-H385 PolarHBondContact O-CE1 3.38Å; P382-H385 PolarHBondContact O-NE2 3.39Å; P382-H412 HydrophobicContact CG-CB 4.38Å; P382-T413 HydrophobicContact CB-CG2 3.89Å; P382-T413 HydrophobicContact CG-CG2 3.63Å; P382-S417 WeakPolarHBondContact O-CB 3.18Å; P382-S417 PolarHBondContact O-N 3.5Å; P382-S417 PolarHBondContact O-OG 2.72Å |
| 383 | R | 70 | Confident | 85.9 | Confident | 128 Ų | 128 | 39 Ų | 39 | 48% | 0.483 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -15.5 | 170 | -60.8 | -179.5 | 179.3 | 169.5 | 0.9 | 113.2 | S381 | S381-R383 PolarHBondContact O-N 3.45Š|
| 384 | Y | 73.8 | Confident | 86.5 | Confident | 41 Ų | 41 | 35.4 Ų | 35.4 | 16% | 0.161 | 16% | 0.16 | C | C | . | . | trans | -109.8 | 126.1 | -172.8 | -68 | -46.6 | 0 | 0 | 0 | 111.4 | Y348 L380 S381 D389 S393 E396 Q452 | Y348-Y384 HydrophobicContact CE1-CE2 4.3Å; Y348-Y384 HydrophobicContact CE2-CE2 4.22Å; Y348-Y384 AromaticContact CZ-CE2 3.99Å; Y348-Y384 PolarHBondContact OH-OH 2.99Å; L380-Y384 HydrophobicContact CD1-CD2 4.42Å; S381-Y384 PolarHBondContact O-N 3.09Å; Y384-D389 HydrophobicContact CD1-CB 3.86Å; Y384-D389 HydrophobicContact CG-CB 4.1Å; Y384-S393 VanDerWaalsContact CD2-OG 3.24Å; Y384-S393 WeakPolarHBondContact CD2-OG 3.46Å; Y384-E396 VanDerWaalsContact OH-CD 3.31Å; Y384-E396 PolarHBondContact OH-OE1 3.29Å; Y384-E396 PolarHBondContact OH-OE2 3.31Å; Y384-Q452 PolarHBondContact O-NE2 3.45Å | ||
| 385 | H | 68.4 | Low | 86.7 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.046 | 18% | 0.18 | C | C | . | . | trans | -137.7 | -32.7 | -163.9 | -59.7 | -35.4 | 0 | 0 | 0 | 114.9 | P382 D389 S416 N448 T451 | P382-H385 PolarHBondContact O-CE1 3.38Å; P382-H385 PolarHBondContact O-NE2 3.39Å; H385-D389 PolarHBondContact N-OD2 3.07Å; H385-S416 WeakPolarHBondContact CE1-CA 3.47Å; H385-S416 WeakPolarHBondContact CE1-CB 3.49Å; H385-S416 VanDerWaalsContact NE2-CB 3.28Å; H385-S416 WeakPolarHBondContact NE2-CB 3.38Å; H385-N448 HydrophobicContact CB-CB 4.34Å; H385-T451 PolarHBondContact O-OG1 2.96Å | ||
| 386 | Q | 78.4 | Confident | 86.7 | Confident | 105 Ų | 105 | 41.9 Ų | 41.9 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -78.9 | 151.6 | 176.1 | -55 | -60.2 | -15.4 | 0 | 0 | 109.7 | P388 D389 | Q386-P388 VanDerWaalsContact C-CD 3.49Å; Q386-P388 VanDerWaalsContact C-N 3.31Å; Q386-D389 WeakPolarHBondContact CB-OD2 3.24Å; Q386-D389 PolarHBondContact N-OD2 3.39Å; Q386-D389 WeakPolarHBondContact O-CA 3.46Å; Q386-D389 VanDerWaalsContact O-CB 3.26Å; Q386-D389 WeakPolarHBondContact O-CB 3.33Å; Q386-D389 PolarHBondContact O-N 2.94Å |
| 387 | R | 84.3 | Confident | 86.6 | Confident | 94 Ų | 94 | 41.8 Ų | 41.8 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -49.8 | -43.1 | 178 | -179.9 | 173.8 | 179.6 | 163.8 | -2.4 | 113.2 | D389 V390 T451 Q454 D458 | R387-D389 PolarHBondContact O-N 3.44Å; R387-V390 PolarHBondContact O-N 2.89Å; R387-T451 WeakPolarHBondContact CA-O 3.18Å; R387-Q454 HydrophobicContact CG-CB 4.18Å; R387-D458 WeakPolarHBondContact CG-OD2 3.35Å; R387-D458 IonicContact CZ-OD1 3.4Å; R387-D458 IonicContact CZ-OD2 3.61Å; R387-D458 IonicContact NE-OD1 3.24Å; R387-D458 IonicContact NE-OD2 3.09Å; R387-D458 PolarHBondContact NE-OD2 2.98Å; R387-D458 IonicContact NH2-OD1 2.73Å; R387-D458 PolarHBondContact NH2-OD1 2.91Å; R387-D458 IonicContact NH2-OD2 2.68Å; R387-D458 PolarHBondContact NH2-OD2 3.33Å |
| 388 | P | 84.4 | Confident | 86.5 | Confident | 89 Ų | 89 | 42.3 Ų | 42.3 | 58% | 0.578 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -72.1 | -21.1 | 174.8 | -18.2 | 33.7 | 0 | 0 | 0 | 115.1 | Q386 V390 R392 | Q386-P388 VanDerWaalsContact C-CD 3.49Å; Q386-P388 VanDerWaalsContact C-N 3.31Å; P388-V390 PolarHBondContact O-N 2.87Å; P388-R392 PolarHBondContact O-N 2.86Å |
| 389 | D | 84.7 | Confident | 86.4 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 21% | 0.214 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -27.8 | 176.6 | -57.8 | -22.4 | 0 | 0 | 0 | 110.9 | Y384 H385 Q386 R387 R392 S393 | Y384-D389 HydrophobicContact CD1-CB 3.86Å; Y384-D389 HydrophobicContact CG-CB 4.1Å; H385-D389 PolarHBondContact N-OD2 3.07Å; Q386-D389 WeakPolarHBondContact CB-OD2 3.24Å; Q386-D389 PolarHBondContact N-OD2 3.39Å; Q386-D389 WeakPolarHBondContact O-CA 3.46Å; Q386-D389 VanDerWaalsContact O-CB 3.26Å; Q386-D389 WeakPolarHBondContact O-CB 3.33Å; Q386-D389 PolarHBondContact O-N 2.94Å; R387-D389 PolarHBondContact O-N 3.44Å; D389-R392 PolarHBondContact O-N 3.29Å; D389-S393 WeakPolarHBondContact O-CB 3.26Å; D389-S393 PolarHBondContact O-N 3.25Å |
| 390 | V | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -47.7 | -177.9 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | L380 R387 P388 R392 S393 L394 F409 G455 M456 | L380-V390 HydrophobicContact CD1-CB 4.37Å; L380-V390 HydrophobicContact CD1-CG1 4.19Å; L380-V390 HydrophobicContact CD1-CG2 4.35Å; L380-V390 HydrophobicContact CD2-CG1 4.13Å; L380-V390 HydrophobicContact CD2-CG2 3.89Å; R387-V390 PolarHBondContact O-N 2.89Å; P388-V390 PolarHBondContact O-N 2.87Å; V390-R392 VanDerWaalsContact C-N 3.31Å; V390-R392 PolarHBondContact O-N 2.78Å; V390-S393 PolarHBondContact O-N 2.88Å; V390-L394 PolarHBondContact O-N 3.11Å; V390-F409 HydrophobicContact CG1-CE1 3.76Å; V390-G455 VanDerWaalsContact CG1-C 3.5Å; V390-M456 HydrophobicContact CG1-SD 3.71Å |
| 391 | E | 91.6 | Very high | 86.6 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 19% | 0.192 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 174.1 | -179.3 | 177.1 | 177.3 | 0 | 0 | 111.8 | L394 K395 V459 K462 L464 | E391-L394 PolarHBondContact O-N 2.82Å; E391-K395 HydrophobicContact CG-CD 4.07Å; E391-K395 WeakPolarHBondContact O-CB 3.4Å; E391-K395 WeakPolarHBondContact O-CG 3.46Å; E391-K395 PolarHBondContact O-N 3.03Å; E391-K395 IonicContact OE1-NZ 3.2Å; E391-K395 PolarHBondContact OE1-NZ 3.23Å; E391-V459 HydrophobicContact CB-CG1 3.83Å; E391-V459 HydrophobicContact CG-CG1 4.23Å; E391-K462 IonicContact OE1-NZ 2.72Å; E391-K462 PolarHBondContact OE1-NZ 2.79Å; E391-K462 IonicContact OE2-NZ 3.89Å; E391-K462 PolarHBondContact OE2-NZ 3.49Å; E391-L464 HydrophobicContact CG-CD1 4.24Å |
| 392 | R | 89.5 | Confident | 87.2 | Confident | 151 Ų | 151 | 56.1 Ų | 56.1 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.9 | -50.1 | 174.1 | -172.5 | -176.2 | -60 | -169.4 | 0.9 | 111.4 | P388 D389 V390 L394 K395 E396 | P388-R392 PolarHBondContact O-N 2.86Å; D389-R392 PolarHBondContact O-N 3.29Å; V390-R392 VanDerWaalsContact C-N 3.31Å; V390-R392 PolarHBondContact O-N 2.78Å; R392-L394 VanDerWaalsContact C-N 3.28Å; R392-L394 PolarHBondContact O-N 3.22Å; R392-K395 PolarHBondContact O-N 3.41Å; R392-E396 WeakPolarHBondContact CD-OE1 3.47Å; R392-E396 HydrophobicContact CG-CG 4.45Å; R392-E396 VanDerWaalsContact CG-OE1 3.3Å; R392-E396 WeakPolarHBondContact CG-OE1 3.37Å; R392-E396 WeakPolarHBondContact O-CG 3.17Å; R392-E396 PolarHBondContact O-N 3.22Å |
| 393 | S | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.8 | -43.6 | 177.5 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | Y384 D389 V390 S397 | Y384-S393 VanDerWaalsContact CD2-OG 3.24Å; Y384-S393 WeakPolarHBondContact CD2-OG 3.46Å; D389-S393 WeakPolarHBondContact O-CB 3.26Å; D389-S393 PolarHBondContact O-N 3.25Å; V390-S393 PolarHBondContact O-N 2.88Å; S393-S397 PolarHBondContact O-N 3.27Å; S393-S397 PolarHBondContact O-OG 3.25Å |
| 394 | L | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 180 | -175.8 | 57.5 | 0 | 0 | 0 | 111.2 | T378 V390 E391 R392 E396 S397 L398 V406 F409 V459 L464 | T378-L394 HydrophobicContact CG2-CD1 4.27Å; V390-L394 PolarHBondContact O-N 3.11Å; E391-L394 PolarHBondContact O-N 2.82Å; R392-L394 VanDerWaalsContact C-N 3.28Å; R392-L394 PolarHBondContact O-N 3.22Å; L394-E396 PolarHBondContact O-N 2.75Å; L394-S397 CarbonylContact O-C 3.37Å; L394-S397 WeakPolarHBondContact O-CA 3.34Å; L394-S397 WeakPolarHBondContact O-CB 3.45Å; L394-S397 PolarHBondContact O-N 3.06Å; L394-L398 HydrophobicContact CD1-CD1 4.49Å; L394-L398 HydrophobicContact CD1-CG 4.23Å; L394-L398 HydrophobicContact CG-CD1 4.02Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-L398 WeakPolarHBondContact O-CB 3.29Å; L394-L398 VanDerWaalsContact O-CG 3.28Å; L394-L398 WeakPolarHBondContact O-CG 3.4Å; L394-L398 PolarHBondContact O-N 2.86Å; L394-V406 HydrophobicContact CD1-CG2 3.93Å; L394-F409 HydrophobicContact CB-CE1 3.92Å; L394-F409 HydrophobicContact CB-CE2 4.49Å; L394-F409 HydrophobicContact CB-CZ 3.91Å; L394-F409 HydrophobicContact CD1-CD1 4.35Å; L394-F409 HydrophobicContact CD1-CD2 3.9Å; L394-F409 HydrophobicContact CD1-CE1 4.38Å; L394-F409 HydrophobicContact CD1-CE2 3.94Å; L394-F409 HydrophobicContact CD1-CG 4.12Å; L394-F409 HydrophobicContact CD1-CZ 4.18Å; L394-F409 HydrophobicContact CD2-CD1 4.1Å; L394-F409 HydrophobicContact CD2-CE1 4.29Å; L394-F409 HydrophobicContact CD2-CG 4.48Å; L394-F409 HydrophobicContact CG-CE1 4.43Å; L394-V459 HydrophobicContact CD2-CB 3.7Å; L394-V459 HydrophobicContact CD2-CG1 4.05Å; L394-V459 HydrophobicContact CD2-CG2 3.77Å; L394-L464 HydrophobicContact CD2-CB 3.64Å; L394-L464 HydrophobicContact CG-CB 4.48Å |
| 395 | K | 93 | Very high | 90.2 | Very high | 101 Ų | 101 | 56.6 Ų | 56.6 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.1 | -76.7 | 174.4 | 171.8 | 172.3 | 0 | 112.6 | E391 R392 S397 L398 E399 | E391-K395 HydrophobicContact CG-CD 4.07Å; E391-K395 WeakPolarHBondContact O-CB 3.4Å; E391-K395 WeakPolarHBondContact O-CG 3.46Å; E391-K395 PolarHBondContact O-N 3.03Å; E391-K395 IonicContact OE1-NZ 3.2Å; E391-K395 PolarHBondContact OE1-NZ 3.23Å; R392-K395 PolarHBondContact O-N 3.41Å; K395-S397 PolarHBondContact O-N 3.2Å; K395-L398 PolarHBondContact O-N 3.45Å; K395-E399 WeakPolarHBondContact O-CB 3.34Å; K395-E399 PolarHBondContact O-N 2.97Å |
| 396 | E | 92.7 | Very high | 91.6 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -27.5 | 172.3 | -69.4 | 171.2 | -165 | 0 | 0 | 113 | Y348 Y384 R392 L394 K400 | Y348-E396 HydrophobicContact CE2-CB 3.79Å; Y348-E396 WeakPolarHBondContact CE2-OE2 3.38Å; Y348-E396 VanDerWaalsContact CZ-OE2 3.25Å; Y348-E396 PolarHBondContact OH-OE2 3.46Å; Y384-E396 VanDerWaalsContact OH-CD 3.31Å; Y384-E396 PolarHBondContact OH-OE1 3.29Å; Y384-E396 PolarHBondContact OH-OE2 3.31Å; R392-E396 WeakPolarHBondContact CD-OE1 3.47Å; R392-E396 HydrophobicContact CG-CG 4.45Å; R392-E396 VanDerWaalsContact CG-OE1 3.3Å; R392-E396 WeakPolarHBondContact CG-OE1 3.37Å; R392-E396 WeakPolarHBondContact O-CG 3.17Å; R392-E396 PolarHBondContact O-N 3.22Å; L394-E396 PolarHBondContact O-N 2.75Å; E396-K400 WeakPolarHBondContact O-CD 3.36Å; E396-K400 VanDerWaalsContact O-CE 3.31Å; E396-K400 WeakPolarHBondContact O-CE 3.38Å; E396-K400 VanDerWaalsContact O-CG 3.28Å; E396-K400 WeakPolarHBondContact O-CG 3.25Å |
| 397 | S | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -77.5 | -43.8 | 175 | -47.7 | 0 | 0 | 0 | 0 | 110.7 | S393 L394 K395 K400 L401 | S393-S397 PolarHBondContact O-N 3.27Å; S393-S397 PolarHBondContact O-OG 3.25Å; L394-S397 CarbonylContact O-C 3.37Å; L394-S397 WeakPolarHBondContact O-CA 3.34Å; L394-S397 WeakPolarHBondContact O-CB 3.45Å; L394-S397 PolarHBondContact O-N 3.06Å; K395-S397 PolarHBondContact O-N 3.2Å; S397-K400 PolarHBondContact O-N 3.25Å; S397-L401 WeakPolarHBondContact O-CB 3.39Å; S397-L401 VanDerWaalsContact O-CG 3.22Å; S397-L401 WeakPolarHBondContact O-CG 3.21Å; S397-L401 PolarHBondContact O-N 3.35Å |
| 398 | L | 96.5 | Very high | 93.1 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.1 | -73.8 | 172.8 | 0 | 0 | 0 | 112.3 | L394 K395 L401 K402 L403 H405 V406 L464 | L394-L398 HydrophobicContact CD1-CD1 4.49Å; L394-L398 HydrophobicContact CD1-CG 4.23Å; L394-L398 HydrophobicContact CG-CD1 4.02Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-L398 WeakPolarHBondContact O-CB 3.29Å; L394-L398 VanDerWaalsContact O-CG 3.28Å; L394-L398 WeakPolarHBondContact O-CG 3.4Å; L394-L398 PolarHBondContact O-N 2.86Å; K395-L398 PolarHBondContact O-N 3.45Å; L398-L401 PolarHBondContact O-N 3.31Å; L398-K402 WeakPolarHBondContact O-CA 3.35Å; L398-K402 PolarHBondContact O-N 3.36Å; L398-L403 WeakPolarHBondContact CB-O 3.17Å; L398-L403 HydrophobicContact CD2-CB 4.21Å; L398-L403 PolarHBondContact O-N 3.12Å; L398-H405 VanDerWaalsContact CD2-C 3.44Å; L398-H405 VanDerWaalsContact CD2-CA 3.47Å; L398-V406 HydrophobicContact CD2-CG1 3.79Å; L398-L464 HydrophobicContact CD1-CB 4.31Å; L398-L464 HydrophobicContact CD1-CD2 4.17Å |
| 399 | E | 94.3 | Very high | 93.7 | Very high | 157 Ų | 157 | 42.5 Ų | 42.5 | 73% | 0.734 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.7 | -47.6 | 175.3 | -174.9 | 173.8 | -166.4 | 0 | 0 | 111.7 | K395 K402 | K395-E399 WeakPolarHBondContact O-CB 3.34Å; K395-E399 PolarHBondContact O-N 2.97Å; E399-K402 PolarHBondContact O-N 3.44Å |
| 400 | K | 94.7 | Very high | 94.3 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 24% | 0.239 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -46.1 | 176.4 | -65 | 168.2 | -162.9 | 167 | 0 | 112.5 | E353 D354 E396 S397 K402 | E353-K400 HydrophobicContact CB-CB 3.75Å; E353-K400 HydrophobicContact CB-CD 4.07Å; E353-K400 CarbonylContact O-C 3.59Å; E353-K400 IonicContact OE2-NZ 2.77Å; D354-K400 WeakPolarHBondContact CA-O 3.33Å; D354-K400 HydrophobicContact CB-CB 4.31Å; E396-K400 WeakPolarHBondContact O-CD 3.36Å; E396-K400 VanDerWaalsContact O-CE 3.31Å; E396-K400 WeakPolarHBondContact O-CE 3.38Å; E396-K400 VanDerWaalsContact O-CG 3.28Å; E396-K400 WeakPolarHBondContact O-CG 3.25Å; S397-K400 PolarHBondContact O-N 3.25Å; K400-K402 WeakPolarHBondContact O-CG 3.22Å; K400-K402 PolarHBondContact O-N 2.81Å; K400-K402 PolarHBondContact O-NZ 3.04Å |
| 401 | L | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -15.3 | 176.9 | -69.6 | 168.1 | 0 | 0 | 0 | 112.5 | T346 E353 I356 G357 I376 T378 S397 L398 L403 V406 | T346-L401 HydrophobicContact CG2-CD2 4.35Å; E353-L401 HydrophobicContact CB-CD2 4.05Å; E353-L401 HydrophobicContact CB-CG 4.1Å; E353-L401 HydrophobicContact CG-CD2 4.32Å; E353-L401 HydrophobicContact CG-CG 4.43Å; I356-L401 HydrophobicContact CB-CD2 4.04Å; I356-L401 HydrophobicContact CG2-CD2 3.75Å; G357-L401 WeakPolarHBondContact CA-O 3.34Å; I376-L401 HydrophobicContact CG2-CD1 4.13Å; T378-L401 HydrophobicContact CG2-CD1 4.42Å; S397-L401 WeakPolarHBondContact O-CB 3.39Å; S397-L401 VanDerWaalsContact O-CG 3.22Å; S397-L401 WeakPolarHBondContact O-CG 3.21Å; S397-L401 PolarHBondContact O-N 3.35Å; L398-L401 PolarHBondContact O-N 3.31Å; L401-L403 VanDerWaalsContact C-N 3.32Å; L401-L403 HydrophobicContact CB-CB 4.45Å; L401-L403 HydrophobicContact CB-CD1 3.99Å; L401-L403 HydrophobicContact CB-CG 3.97Å; L401-L403 WeakPolarHBondContact O-CG 3.31Å; L401-V406 HydrophobicContact CD1-CG1 3.94Å |
| 402 | K | 93.7 | Very high | 94.2 | Very high | 82 Ų | 82 | 40 Ų | 40 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 38.4 | -177.9 | -49.2 | -177.8 | 179.2 | 75.5 | 0 | 111.9 | D354 D358 K361 L398 E399 K400 | D354-K402 PolarHBondContact O-NZ 3.1Å; D354-K402 IonicContact OD1-NZ 2.73Å; D354-K402 PolarHBondContact OD1-NZ 2.84Å; D358-K402 WeakPolarHBondContact OD1-CE 3.41Å; D358-K402 IonicContact OD1-NZ 3.99Å; D358-K402 PolarHBondContact OD1-NZ 2.95Å; K361-K402 HydrophobicContact CD-CD 4.42Å; L398-K402 WeakPolarHBondContact O-CA 3.35Å; L398-K402 PolarHBondContact O-N 3.36Å; E399-K402 PolarHBondContact O-N 3.44Å; K400-K402 WeakPolarHBondContact O-CG 3.22Å; K400-K402 PolarHBondContact O-N 2.81Å; K400-K402 PolarHBondContact O-NZ 3.04Å |
| 403 | L | 93.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | trans | -124.2 | 156 | -176.1 | -56.9 | 178.2 | 0 | 0 | 0 | 112.1 | F364 I376 L398 L401 | F364-L403 HydrophobicContact CE2-CD2 4.08Å; I376-L403 HydrophobicContact CB-CD1 4.44Å; I376-L403 HydrophobicContact CG1-CD1 3.79Å; I376-L403 HydrophobicContact CG2-CD1 4.36Å; L398-L403 WeakPolarHBondContact CB-O 3.17Å; L398-L403 HydrophobicContact CD2-CB 4.21Å; L398-L403 PolarHBondContact O-N 3.12Å; L401-L403 VanDerWaalsContact C-N 3.32Å; L401-L403 HydrophobicContact CB-CB 4.45Å; L401-L403 HydrophobicContact CB-CD1 3.99Å; L401-L403 HydrophobicContact CB-CG 3.97Å; L401-L403 WeakPolarHBondContact O-CG 3.31Å | ||
| 404 | N | 90.9 | Very high | 92.6 | Very high | 150 Ų | 150 | 34.8 Ų | 34.8 | 80% | 0.802 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -85.3 | -27.7 | 174.4 | -65.3 | -27.3 | 0 | 0 | 0 | 113.4 | ||
| 405 | H | 95.4 | Very high | 91 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 18% | 0.181 | 17% | 0.174 | C | C | . | . | trans | -152.3 | 164.1 | 177.3 | 74.5 | -101.1 | 0 | 0 | 0 | 110.5 | R371 L398 G463 L464 | R371-H405 PolarHBondContact NH2-CD2 3.25Å; R371-H405 PolarHBondContact NH2-NE2 2.83Å; L398-H405 VanDerWaalsContact CD2-C 3.44Å; L398-H405 VanDerWaalsContact CD2-CA 3.47Å; H405-G463 VanDerWaalsContact CB-O 3.26Å; H405-G463 WeakPolarHBondContact CB-O 3.34Å; H405-L464 VanDerWaalsContact CA-O 3.31Å; H405-L464 WeakPolarHBondContact CA-O 3.41Å; H405-L464 WeakPolarHBondContact CB-O 3.12Å | ||
| 406 | V | 96.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 160.9 | 168.7 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | I376 T378 L394 L398 L401 F409 L464 T465 R466 | I376-V406 HydrophobicContact CB-CB 4.31Å; I376-V406 HydrophobicContact CB-CG1 4.38Å; I376-V406 HydrophobicContact CG2-CB 4.12Å; I376-V406 HydrophobicContact CG2-CG1 3.77Å; T378-V406 HydrophobicContact CG2-CG1 4.12Å; T378-V406 HydrophobicContact CG2-CG2 4.38Å; L394-V406 HydrophobicContact CD1-CG2 3.93Å; L398-V406 HydrophobicContact CD2-CG1 3.79Å; L401-V406 HydrophobicContact CD1-CG1 3.94Å; V406-F409 HydrophobicContact CG2-CB 4.29Å; V406-L464 PolarHBondContact N-O 3.03Å; V406-L464 VanDerWaalsContact N-O 3.1Å; V406-T465 CarbonylContact O-C 3.56Å; V406-T465 WeakPolarHBondContact O-CA 3.41Å; V406-T465 PolarHBondContact O-OG1 3.09Å; V406-R466 PolarHBondContact O-N 3.25Å |
| 407 | D | 96.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -33.7 | -178.5 | -53.6 | -82.7 | 0 | 0 | 0 | 112 | R371 F375 I376 R466 A467 | R371-D407 IonicContact CZ-OD1 2.88Å; R371-D407 IonicContact CZ-OD2 3.76Å; R371-D407 IonicContact NH1-OD1 3.41Å; R371-D407 IonicContact NH1-OD2 2.67Å; R371-D407 PolarHBondContact NH1-OD2 3.14Å; R371-D407 IonicContact NH2-OD1 2.74Å; R371-D407 PolarHBondContact NH2-OD1 2.89Å; R371-D407 IonicContact NH2-OD2 3.89Å; R371-D407 PolarHBondContact NH2-OD2 3.37Å; F375-D407 WeakPolarHBondContact CA-OD2 3.34Å; F375-D407 HydrophobicContact CD1-CB 3.93Å; F375-D407 HydrophobicContact CD2-CB 3.59Å; F375-D407 HydrophobicContact CE1-CB 3.97Å; F375-D407 HydrophobicContact CE2-CB 3.65Å; F375-D407 HydrophobicContact CG-CB 3.75Å; F375-D407 HydrophobicContact CZ-CB 3.84Å; I376-D407 PolarHBondContact N-OD2 3.08Å; I376-D407 PolarHBondContact O-N 3.37Å; I376-D407 VanDerWaalsContact O-N 3.07Å; D407-R466 CarbonylContact O-C 3.53Å; D407-R466 WeakPolarHBondContact OD1-CD 3.43Å; D407-R466 IonicContact OD1-CZ 3.84Å; D407-R466 IonicContact OD1-NE 2.65Å; D407-R466 IonicContact OD1-NH1 2.6Å; D407-R466 PolarHBondContact OD1-NH1 3.42Å; D407-A467 WeakPolarHBondContact O-CB 3.34Å; D407-A467 PolarHBondContact O-N 3.33Å |
| 408 | L | 98 | Very high | 84.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 127.6 | 178.8 | -179.5 | 60 | 0 | 0 | 0 | 112.1 | M305 F375 I376 T377 T378 L410 A467 N491 | M305-L408 HydrophobicContact CE-CD2 3.7Å; M305-L408 HydrophobicContact SD-CD2 3.98Å; F375-L408 HydrophobicContact CE1-CB 3.58Å; F375-L408 HydrophobicContact CE1-CD2 4.13Å; F375-L408 HydrophobicContact CZ-CB 3.77Å; F375-L408 HydrophobicContact CZ-CD2 4.38Å; I376-L408 PolarHBondContact O-N 2.89Å; T377-L408 VanDerWaalsContact CA-O 3.31Å; T377-L408 WeakPolarHBondContact CA-O 3.15Å; T377-L408 HydrophobicContact CG2-CB 4.25Å; T377-L408 HydrophobicContact CG2-CD2 3.98Å; T377-L408 HydrophobicContact CG2-CG 4.07Å; T378-L408 PolarHBondContact N-O 3.45Å; T378-L408 VanDerWaalsContact N-O 3.11Å; L408-L410 HydrophobicContact CD1-CD2 3.74Å; L408-L410 HydrophobicContact CD2-CD2 3.96Å; L408-L410 HydrophobicContact CD2-CG 4.5Å; L408-L410 HydrophobicContact CG-CD2 3.7Å; L408-L410 HydrophobicContact CG-CG 4.19Å; L408-A467 HydrophobicContact CD1-CB 3.87Å; L408-N491 HydrophobicContact CD1-CB 4.15Å; L408-N491 HydrophobicContact CD2-CB 3.8Å |
| 409 | F | 97.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.7 | 173.8 | -167.3 | -138.7 | 0 | 0 | 0 | 110.9 | T378 L380 V390 L394 V406 M456 V459 T465 A467 I468 G469 | T378-F409 HydrophobicContact CG2-CD2 3.8Å; T378-F409 HydrophobicContact CG2-CE2 4.05Å; T378-F409 WeakPolarHBondContact O-CA 3.45Å; T378-F409 WeakPolarHBondContact O-CD2 3.46Å; L380-F409 HydrophobicContact CB-CE1 4.28Å; L380-F409 HydrophobicContact CB-CE2 4.24Å; L380-F409 HydrophobicContact CB-CZ 3.77Å; L380-F409 HydrophobicContact CD1-CZ 4.19Å; V390-F409 HydrophobicContact CG1-CE1 3.76Å; L394-F409 HydrophobicContact CB-CE1 3.92Å; L394-F409 HydrophobicContact CB-CE2 4.49Å; L394-F409 HydrophobicContact CB-CZ 3.91Å; L394-F409 HydrophobicContact CD1-CD1 4.35Å; L394-F409 HydrophobicContact CD1-CD2 3.9Å; L394-F409 HydrophobicContact CD1-CE1 4.38Å; L394-F409 HydrophobicContact CD1-CE2 3.94Å; L394-F409 HydrophobicContact CD1-CG 4.12Å; L394-F409 HydrophobicContact CD1-CZ 4.18Å; L394-F409 HydrophobicContact CD2-CD1 4.1Å; L394-F409 HydrophobicContact CD2-CE1 4.29Å; L394-F409 HydrophobicContact CD2-CG 4.48Å; L394-F409 HydrophobicContact CG-CE1 4.43Å; V406-F409 HydrophobicContact CG2-CB 4.29Å; F409-M456 VanDerWaalsContact C-CE 3.42Å; F409-M456 HydrophobicContact CB-CE 3.96Å; F409-M456 HydrophobicContact CD1-CE 3.32Å; F409-M456 HydrophobicContact CD1-SD 3.64Å; F409-M456 HydrophobicContact CE1-CE 3.98Å; F409-M456 HydrophobicContact CE1-SD 3.73Å; F409-M456 HydrophobicContact CG-CE 3.71Å; F409-M456 WeakPolarHBondContact O-CE 3.47Å; F409-V459 HydrophobicContact CD1-CG2 4.01Å; F409-V459 HydrophobicContact CE1-CG2 4.41Å; F409-T465 HydrophobicContact CB-CG2 4.1Å; F409-T465 PolarHBondContact N-OG1 3.32Å; F409-A467 PolarHBondContact N-O 2.9Å; F409-I468 CarbonylContact O-C 3.6Å; F409-I468 VanDerWaalsContact O-CA 3.3Å; F409-I468 WeakPolarHBondContact O-CA 3.38Å; F409-G469 PolarHBondContact O-N 2.81Å |
| 410 | L | 96.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 146.1 | -175 | -52.5 | 177.9 | 0 | 0 | 0 | 112.9 | T377 T378 K379 L380 L408 H412 G469 N491 Q493 | T377-L410 HydrophobicContact CG2-CD1 3.76Å; T377-L410 HydrophobicContact CG2-CG 4.03Å; T378-L410 PolarHBondContact O-N 2.87Å; K379-L410 CarbonylContact C-O 3.42Å; K379-L410 WeakPolarHBondContact CA-O 3.33Å; K379-L410 HydrophobicContact CB-CB 4.31Å; K379-L410 HydrophobicContact CD-CD1 4.41Å; K379-L410 HydrophobicContact CG-CB 4.05Å; K379-L410 HydrophobicContact CG-CD1 4.32Å; L380-L410 PolarHBondContact N-O 2.88Å; L408-L410 HydrophobicContact CD1-CD2 3.74Å; L408-L410 HydrophobicContact CD2-CD2 3.96Å; L408-L410 HydrophobicContact CD2-CG 4.5Å; L408-L410 HydrophobicContact CG-CD2 3.7Å; L408-L410 HydrophobicContact CG-CG 4.19Å; L410-H412 PolarHBondContact O-N 2.82Å; L410-G469 WeakPolarHBondContact CA-O 3.37Å; L410-G469 VanDerWaalsContact CD2-C 3.46Å; L410-G469 VanDerWaalsContact CD2-CA 3.43Å; L410-N491 HydrophobicContact CD2-CB 4.44Å; L410-Q493 HydrophobicContact CD1-CB 3.87Å |
| 411 | I | 91.7 | Very high | 77.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 112.4 | 161.6 | -59.5 | 179.9 | 0 | 0 | 0 | 108.1 | T413 Q452 L453 M456 G469 L470 S471 F473 | I411-T413 VanDerWaalsContact C-N 3.32Å; I411-T413 PolarHBondContact O-N 2.61Å; I411-Q452 HydrophobicContact CD1-CB 3.96Å; I411-L453 HydrophobicContact CD1-CD2 3.93Å; I411-L453 HydrophobicContact CD1-CG 4.34Å; I411-M456 HydrophobicContact CD1-CG 4.08Å; I411-M456 HydrophobicContact CG1-CE 4.2Å; I411-M456 HydrophobicContact CG1-CG 3.91Å; I411-M456 HydrophobicContact CG1-SD 3.91Å; I411-G469 PolarHBondContact N-O 3.49Å; I411-L470 HydrophobicContact CB-CD2 4.26Å; I411-L470 HydrophobicContact CD1-CD2 4.1Å; I411-L470 HydrophobicContact CG1-CD2 4.39Å; I411-S471 WeakPolarHBondContact O-CA 3.46Å; I411-S471 WeakPolarHBondContact O-CB 3.37Å; I411-S471 PolarHBondContact O-N 2.97Å; I411-F473 HydrophobicContact CB-CE2 4.26Å; I411-F473 HydrophobicContact CB-CZ 4.35Å; I411-F473 HydrophobicContact CG2-CE2 4.04Å; I411-F473 HydrophobicContact CG2-CZ 3.98Å |
| 412 | H | 87.8 | Confident | 74.8 | Confident | 29 Ų | 29 | 43.8 Ų | 43.8 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | trans | -60.5 | -34 | -168.7 | -165 | 125 | 0 | 0 | 0 | 114.6 | A347 Y350 K379 L380 P382 L410 S471 N472 | A347-H412 WeakPolarHBondContact CB-ND1 3.46Å; Y350-H412 AromaticContact CE1-CE1 3.67Å; K379-H412 HydrophobicContact CB-CB 3.83Å; L380-H412 WeakPolarHBondContact O-CB 3.33Å; P382-H412 HydrophobicContact CG-CB 4.38Å; L410-H412 PolarHBondContact O-N 2.82Å; H412-S471 CarbonylContact C-O 3.22Å; H412-S471 CarbonylContact O-C 3.55Å; H412-N472 PolarHBondContact O-ND2 2.94Å | ||
| 413 | T | 80.3 | Confident | 72.3 | Confident | 33 Ų | 33 | 46.5 Ų | 46.5 | 20% | 0.202 | 25% | 0.25 | C | S | . | . | trans | -160.9 | 149.4 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | P382 I411 V415 S471 | P382-T413 HydrophobicContact CB-CG2 3.89Å; P382-T413 HydrophobicContact CG-CG2 3.63Å; I411-T413 VanDerWaalsContact C-N 3.32Å; I411-T413 PolarHBondContact O-N 2.61Å; T413-V415 WeakPolarHBondContact CG2-O 3.32Å; T413-V415 PolarHBondContact O-N 3.38Å; T413-V415 VanDerWaalsContact O-N 3.12Å; T413-S471 WeakPolarHBondContact CA-O 3.44Å | ||
| 414 | P | 68.3 | Low | 69.8 | Low | 7 Ų | 7 | 50.5 Ų | 50.5 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -68.9 | -1 | -179.3 | 23.6 | -34 | 0 | 0 | 0 | 116.2 | N472 F473 Q477 | P414-N472 VanDerWaalsContact CD-O 3.23Å; P414-N472 WeakPolarHBondContact CD-O 3.42Å; P414-F473 HydrophobicContact CB-CD1 4.29Å; P414-F473 HydrophobicContact CB-CD2 4.39Å; P414-F473 HydrophobicContact CB-CE1 3.88Å; P414-F473 HydrophobicContact CB-CE2 4.01Å; P414-F473 HydrophobicContact CB-CZ 3.72Å; P414-F473 HydrophobicContact CG-CD2 4.4Å; P414-F473 HydrophobicContact CG-CE2 4.37Å; P414-Q477 VanDerWaalsContact CG-NE2 3.31Å |
| 415 | V | 60.1 | Low | 67.5 | Low | 22 Ų | 22 | 45.3 Ų | 45.3 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -124.2 | 139.1 | -170.1 | 176.6 | 0 | 0 | 0 | 0 | 113.9 | T413 S440 | T413-V415 WeakPolarHBondContact CG2-O 3.32Å; T413-V415 PolarHBondContact O-N 3.38Å; T413-V415 VanDerWaalsContact O-N 3.12Å; V415-S440 WeakPolarHBondContact CG2-OG 3.22Å |
| 416 | S | 55.8 | Low | 64.7 | Low | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | trans | -87.3 | 132.6 | -179.1 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | H385 K418 N448 | H385-S416 WeakPolarHBondContact CE1-CA 3.47Å; H385-S416 WeakPolarHBondContact CE1-CB 3.49Å; H385-S416 VanDerWaalsContact NE2-CB 3.28Å; H385-S416 WeakPolarHBondContact NE2-CB 3.38Å; S416-K418 PolarHBondContact O-N 3.32Å; S416-N448 WeakPolarHBondContact CB-ND2 3.27Å; S416-N448 PolarHBondContact OG-ND2 2.72Å | ||
| 417 | S | 51.7 | Low | 61.7 | Low | 30 Ų | 30 | 49.1 Ų | 49.1 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -79.4 | 6.5 | 177.9 | 88.3 | 0 | 0 | 0 | 0 | 114.5 | P382 I425 | P382-S417 WeakPolarHBondContact O-CB 3.18Å; P382-S417 PolarHBondContact O-N 3.5Å; P382-S417 PolarHBondContact O-OG 2.72Å; S417-I425 PolarHBondContact O-N 3.48Å |
| 418 | K | 43.8 | Very low | 58.7 | Low | 87 Ų | 87 | 52.9 Ų | 52.9 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 138.2 | 172.3 | -88.3 | 179.4 | 172.8 | 171.1 | 0 | 112 | S416 K423 I424 | S416-K418 PolarHBondContact O-N 3.32Å; K418-K423 WeakPolarHBondContact CA-O 3.19Å; K418-I424 HydrophobicContact CD-CG1 4.48Å; K418-I424 HydrophobicContact CG-CG1 3.97Å |
| 419 | R | 42.1 | Very low | 55.6 | Low | 155 Ų | 155 | 59.2 Ų | 59.2 | 59% | 0.585 | 33% | 0.331 | S | S | * | . | trans | -76 | 161.9 | 164.3 | -85.5 | 172.8 | 176.2 | -177.2 | -1.1 | 110.8 | D421 G422 K423 I425 | R419-D421 WeakPolarHBondContact CB-OD1 3.27Å; R419-D421 PolarHBondContact O-N 2.85Å; R419-G422 PolarHBondContact O-N 3.37Å; R419-K423 PolarHBondContact N-O 3.17Å; R419-I425 HydrophobicContact CG-CD1 4.05Å; R419-I425 HydrophobicContact CG-CG1 3.84Å | ||
| 420 | S | 39.7 | Very low | 52.5 | Low | 118 Ų | 118 | 69.1 Ų | 69.1 | 83% | 0.825 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10 | 178.7 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 421 | D | 48.8 | Very low | 49.4 | Very low | 88 Ų | 88 | 72.4 Ų | 72.4 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 6.9 | 169.3 | 72.1 | -23 | 0 | 0 | 0 | 112.8 | R419 K423 | R419-D421 WeakPolarHBondContact CB-OD1 3.27Å; R419-D421 PolarHBondContact O-N 2.85Å; D421-K423 PolarHBondContact O-N 3.34Å; D421-K423 WeakPolarHBondContact OD1-CB 3.41Å; D421-K423 PolarHBondContact OD1-N 3.43Å; D421-K423 WeakPolarHBondContact OD2-CD 3.47Å; D421-K423 VanDerWaalsContact OD2-CE 3.26Å; D421-K423 WeakPolarHBondContact OD2-CE 3.42Å; D421-K423 WeakPolarHBondContact OD2-CG 3.44Å; D421-K423 IonicContact OD2-NZ 2.71Å; D421-K423 PolarHBondContact OD2-NZ 3.01Å |
| 422 | G | 41 | Very low | 46.7 | Very low | 49 Ų | 49 | 74.5 Ų | 74.5 | 51% | 0.505 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 82 | -11.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R419 I424 | R419-G422 PolarHBondContact O-N 3.37Å; G422-I424 PolarHBondContact O-N 3.47Å |
| 423 | K | 42.2 | Very low | 44.2 | Very low | 140 Ų | 140 | 76.3 Ų | 76.3 | 61% | 0.609 | 41% | 0.411 | S | S | * | . | trans | -69.4 | 132.8 | 178.1 | -63.9 | -177.5 | -166.9 | 154.2 | 0 | 110.1 | K418 R419 D421 I425 | K418-K423 WeakPolarHBondContact CA-O 3.19Å; R419-K423 PolarHBondContact N-O 3.17Å; D421-K423 PolarHBondContact O-N 3.34Å; D421-K423 WeakPolarHBondContact OD1-CB 3.41Å; D421-K423 PolarHBondContact OD1-N 3.43Å; D421-K423 WeakPolarHBondContact OD2-CD 3.47Å; D421-K423 VanDerWaalsContact OD2-CE 3.26Å; D421-K423 WeakPolarHBondContact OD2-CE 3.42Å; D421-K423 WeakPolarHBondContact OD2-CG 3.44Å; D421-K423 IonicContact OD2-NZ 2.71Å; D421-K423 PolarHBondContact OD2-NZ 3.01Å; K423-I425 PolarHBondContact O-N 3.36Å | ||
| 424 | I | 41.3 | Very low | 41.9 | Very low | 100 Ų | 100 | 77.6 Ų | 77.6 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -61.8 | 129.7 | 162.8 | -62.4 | 171.3 | 0 | 0 | 0 | 106.3 | K418 G422 D426 | K418-I424 HydrophobicContact CD-CG1 4.48Å; K418-I424 HydrophobicContact CG-CG1 3.97Å; G422-I424 PolarHBondContact O-N 3.47Å; I424-D426 PolarHBondContact O-N 3.49Å |
| 425 | I | 41.5 | Very low | 40.1 | Very low | 41 Ų | 41 | 80.9 Ų | 80.9 | 21% | 0.21 | 43% | 0.431 | C | S | . | . | trans | -72 | 112.7 | 163.2 | -46.7 | 175 | 0 | 0 | 0 | 104.7 | S417 R419 K423 A427 L443 | S417-I425 PolarHBondContact O-N 3.48Å; R419-I425 HydrophobicContact CG-CD1 4.05Å; R419-I425 HydrophobicContact CG-CG1 3.84Å; K423-I425 PolarHBondContact O-N 3.36Å; I425-A427 HydrophobicContact CB-CB 4.29Å; I425-A427 HydrophobicContact CG2-CB 3.65Å; I425-A427 PolarHBondContact O-N 2.86Å; I425-L443 HydrophobicContact CD1-CD1 4.14Å | ||
| 426 | D | 36.5 | Very low | 38.9 | Very low | 107 Ų | 107 | 82.5 Ų | 82.5 | 57% | 0.572 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 27.1 | 180 | -145 | 36.1 | 0 | 0 | 0 | 112.6 | I424 | I424-D426 PolarHBondContact O-N 3.49Š|
| 427 | A | 33.4 | Very low | 37.8 | Very low | 13 Ų | 13 | 87.6 Ų | 87.6 | 11% | 0.107 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -30 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I425 D429 R430 I431 | I425-A427 HydrophobicContact CB-CB 4.29Å; I425-A427 HydrophobicContact CG2-CB 3.65Å; I425-A427 PolarHBondContact O-N 2.86Å; A427-D429 PolarHBondContact O-N 3.23Å; A427-D429 VanDerWaalsContact O-N 3.16Å; A427-R430 PolarHBondContact O-N 2.85Å; A427-I431 HydrophobicContact CB-CB 3.83Å; A427-I431 HydrophobicContact CB-CD1 3.91Å; A427-I431 HydrophobicContact CB-CG1 4.11Å; A427-I431 PolarHBondContact O-N 3.32Å |
| 428 | A | 34.2 | Very low | 37 | Very low | 80 Ų | 80 | 93.5 Ų | 93.5 | 66% | 0.661 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -36.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 429 | D | 33.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 92.9 Ų | 92.9 | 71% | 0.711 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -7.3 | -173.9 | -60.5 | 8.2 | 0 | 0 | 0 | 112.5 | A427 | A427-D429 PolarHBondContact O-N 3.23Å; A427-D429 VanDerWaalsContact O-N 3.16Å |
| 430 | R | 32.3 | Very low | 36.1 | Very low | 208 Ų | 208 | 86.6 Ų | 86.6 | 79% | 0.785 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | -8.2 | -170.4 | -63.5 | -168.5 | -176.3 | -145.2 | 0.5 | 117.2 | A427 | A427-R430 PolarHBondContact O-N 2.85Š|
| 431 | I | 30.8 | Very low | 35.9 | Very low | 69 Ų | 69 | 89.1 Ų | 89.1 | 35% | 0.354 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -121.7 | 129.2 | -179.1 | -64.4 | -176.5 | 0 | 0 | 0 | 109.5 | A427 E435 | A427-I431 HydrophobicContact CB-CB 3.83Å; A427-I431 HydrophobicContact CB-CD1 3.91Å; A427-I431 HydrophobicContact CB-CG1 4.11Å; A427-I431 PolarHBondContact O-N 3.32Å; I431-E435 HydrophobicContact CG2-CB 3.57Å |
| 432 | D | 35.1 | Very low | 35.1 | Very low | 44 Ų | 44 | 93.7 Ų | 93.7 | 24% | 0.235 | 48% | 0.478 | C | S | . | . | trans | -58.9 | 136.7 | -175.5 | -172.3 | -37.6 | 0 | 0 | 0 | 111.7 | L434 E435 T436 R534 | D432-L434 PolarHBondContact O-N 3.41Å; D432-L434 PolarHBondContact OD1-N 2.92Å; D432-E435 PolarHBondContact O-N 3.11Å; D432-T436 PolarHBondContact O-N 3.13Å; D432-R534 IonicContact OD2-CZ 3.69Å; D432-R534 IonicContact OD2-NH1 2.75Å; D432-R534 PolarHBondContact OD2-NH1 2.86Å | ||
| 433 | P | 35.5 | Very low | 34.8 | Very low | 68 Ų | 68 | 94.8 Ų | 94.8 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -51.1 | -16 | 171.6 | -30.5 | 37 | 0 | 0 | 0 | 116.8 | T436 | P433-T436 WeakPolarHBondContact CA-OG1 3.38Å; P433-T436 PolarHBondContact O-OG1 3.25Å; P433-T436 VanDerWaalsContact O-OG1 3.05Å |
| 434 | L | 32.2 | Very low | 34.7 | Very low | 60 Ų | 60 | 90.8 Ų | 90.8 | 31% | 0.314 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -74.1 | -39.2 | 168.2 | -86.7 | 163 | 0 | 0 | 0 | 113.3 | D432 W437 Q438 L531 | D432-L434 PolarHBondContact O-N 3.41Å; D432-L434 PolarHBondContact OD1-N 2.92Å; L434-W437 PolarHBondContact O-N 3.47Å; L434-Q438 PolarHBondContact O-N 3.08Å; L434-L531 HydrophobicContact CD1-CD1 3.94Å; L434-L531 HydrophobicContact CD1-CG 4.15Å |
| 435 | E | 31.7 | Very low | 34.7 | Very low | 75 Ų | 75 | 89.2 Ų | 89.2 | 35% | 0.35 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.9 | -34.1 | 176.2 | -81.9 | 168.3 | -124.2 | 0 | 0 | 111.1 | I431 D432 W437 Q438 V439 R534 | I431-E435 HydrophobicContact CG2-CB 3.57Å; D432-E435 PolarHBondContact O-N 3.11Å; E435-W437 VanDerWaalsContact C-N 3.29Å; E435-W437 PolarHBondContact O-N 3.49Å; E435-Q438 PolarHBondContact O-N 3.36Å; E435-V439 VanDerWaalsContact O-CB 3.24Å; E435-V439 WeakPolarHBondContact O-CB 3.4Å; E435-V439 VanDerWaalsContact O-CG2 3.24Å; E435-V439 WeakPolarHBondContact O-CG2 3.23Å; E435-V439 PolarHBondContact O-N 3.04Å; E435-R534 IonicContact OE1-CZ 2.73Å; E435-R534 IonicContact OE1-NH1 2.79Å; E435-R534 PolarHBondContact OE1-NH1 3.36Å; E435-R534 IonicContact OE1-NH2 3.25Å; E435-R534 PolarHBondContact OE1-NH2 3.43Å |
| 436 | T | 34.3 | Very low | 34.9 | Very low | 57 Ų | 57 | 96.2 Ų | 96.2 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -34.8 | 172.7 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | D432 P433 S440 | D432-T436 PolarHBondContact O-N 3.13Å; P433-T436 WeakPolarHBondContact CA-OG1 3.38Å; P433-T436 PolarHBondContact O-OG1 3.25Å; P433-T436 VanDerWaalsContact O-OG1 3.05Å; T436-S440 WeakPolarHBondContact O-CA 3.38Å; T436-S440 WeakPolarHBondContact O-CB 3.3Å; T436-S440 PolarHBondContact O-N 3.5Å; T436-S440 PolarHBondContact O-OG 2.79Å |
| 437 | W | 33 | Very low | 35.5 | Very low | 118 Ų | 118 | 94.2 Ų | 94.2 | 45% | 0.447 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -44.5 | 174.9 | -89.7 | 93 | 0 | 0 | 0 | 113.7 | L434 E435 S440 F441 N472 | L434-W437 PolarHBondContact O-N 3.47Å; E435-W437 VanDerWaalsContact C-N 3.29Å; E435-W437 PolarHBondContact O-N 3.49Å; W437-S440 PolarHBondContact O-N 2.87Å; W437-F441 PolarHBondContact O-N 3.18Å; W437-N472 HydrophobicContact CZ2-CB 4.22Å |
| 438 | Q | 33.8 | Very low | 36.9 | Very low | 153 Ų | 153 | 94.5 Ų | 94.5 | 72% | 0.715 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.1 | -38.8 | 177.8 | -68.3 | -168.4 | -3.3 | 0 | 0 | 112.4 | L434 E435 | L434-Q438 PolarHBondContact O-N 3.08Å; E435-Q438 PolarHBondContact O-N 3.36Å |
| 439 | V | 31.3 | Very low | 38.4 | Very low | 75 Ų | 75 | 91.5 Ų | 91.5 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -75 | -29.6 | 177 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | E435 F441 F442 L443 | E435-V439 VanDerWaalsContact O-CB 3.24Å; E435-V439 WeakPolarHBondContact O-CB 3.4Å; E435-V439 VanDerWaalsContact O-CG2 3.24Å; E435-V439 WeakPolarHBondContact O-CG2 3.23Å; E435-V439 PolarHBondContact O-N 3.04Å; V439-F441 PolarHBondContact O-N 2.71Å; V439-F442 PolarHBondContact O-N 3.02Å; V439-L443 HydrophobicContact CG1-CD1 3.47Å; V439-L443 VanDerWaalsContact CG1-CD1 3.47Å; V439-L443 HydrophobicContact CG1-CG 3.72Å; V439-L443 PolarHBondContact O-N 2.82Å |
| 440 | S | 36.8 | Very low | 40.2 | Very low | 22 Ų | 22 | 87.8 Ų | 87.8 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.2 | -31.4 | 173.7 | -78 | 0 | 0 | 0 | 0 | 113.3 | V415 T436 W437 F442 | V415-S440 WeakPolarHBondContact CG2-OG 3.22Å; T436-S440 WeakPolarHBondContact O-CA 3.38Å; T436-S440 WeakPolarHBondContact O-CB 3.3Å; T436-S440 PolarHBondContact O-N 3.5Å; T436-S440 PolarHBondContact O-OG 2.79Å; W437-S440 PolarHBondContact O-N 2.87Å; S440-F442 PolarHBondContact O-N 3.34Å |
| 441 | F | 34.2 | Very low | 42.5 | Very low | 171 Ų | 171 | 79.6 Ų | 79.6 | 75% | 0.75 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.3 | 177.2 | -130.6 | -84.5 | 0 | 0 | 0 | 112.9 | W437 V439 | W437-F441 PolarHBondContact O-N 3.18Å; V439-F441 PolarHBondContact O-N 2.71Å |
| 442 | F | 32.9 | Very low | 45 | Very low | 184 Ų | 184 | 76.5 Ų | 76.5 | 81% | 0.807 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -22.9 | 179.5 | -72.5 | -82.5 | 0 | 0 | 0 | 114.5 | V439 S440 | V439-F442 PolarHBondContact O-N 3.02Å; S440-F442 PolarHBondContact O-N 3.34Å |
| 443 | L | 34.8 | Very low | 47.3 | Very low | 73 Ų | 73 | 74.8 Ų | 74.8 | 38% | 0.382 | 37% | 0.374 | S | S | . | . | trans | -96.6 | 28.5 | 179.6 | -63.4 | -169.3 | 0 | 0 | 0 | 114.6 | I425 V439 N445 | I425-L443 HydrophobicContact CD1-CD1 4.14Å; V439-L443 HydrophobicContact CG1-CD1 3.47Å; V439-L443 VanDerWaalsContact CG1-CD1 3.47Å; V439-L443 HydrophobicContact CG1-CG 3.72Å; V439-L443 PolarHBondContact O-N 2.82Å; L443-N445 VanDerWaalsContact C-N 3.28Å; L443-N445 PolarHBondContact O-N 3.32Å | ||
| 444 | L | 39.5 | Very low | 49.7 | Very low | 56 Ų | 56 | 74.8 Ų | 74.8 | 29% | 0.293 | 37% | 0.368 | S | S | . | . | trans | -70.9 | 80.8 | 171.8 | -116 | 173.8 | 0 | 0 | 0 | 111 | K446 | L444-K446 PolarHBondContact O-N 3.28Š| ||
| 445 | N | 40.6 | Very low | 52.4 | Low | 66 Ų | 66 | 72 Ų | 72 | 35% | 0.353 | 35% | 0.354 | S | S | . | . | trans | -72.7 | 88.9 | 178 | -162.8 | 7.2 | 0 | 0 | 0 | 110.1 | L443 S447 N448 | L443-N445 VanDerWaalsContact C-N 3.28Å; L443-N445 PolarHBondContact O-N 3.32Å; N445-S447 PolarHBondContact O-N 2.73Å; N445-N448 PolarHBondContact O-N 3.45Å | ||
| 446 | K | 45.8 | Very low | 55.3 | Low | 189 Ų | 189 | 68.5 Ų | 68.5 | 82% | 0.822 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -16.9 | -163.7 | -63.9 | -177.2 | -179.3 | 177.7 | 0 | 116.6 | L444 | L444-K446 PolarHBondContact O-N 3.28Š|
| 447 | S | 48.9 | Very low | 58 | Low | 65 Ų | 65 | 66.5 Ų | 66.5 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -42.7 | 173 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | N445 L450 T451 | N445-S447 PolarHBondContact O-N 2.73Å; S447-L450 PolarHBondContact O-N 2.95Å; S447-T451 PolarHBondContact O-N 2.88Å; S447-T451 PolarHBondContact O-OG1 2.9Å |
| 448 | N | 63.8 | Low | 60.9 | Low | 19 Ų | 19 | 62.9 Ų | 62.9 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.7 | -39.2 | -157.4 | -64.2 | -1.2 | 0 | 0 | 0 | 112.6 | H385 S416 N445 L450 T451 Q452 | H385-N448 HydrophobicContact CB-CB 4.34Å; S416-N448 WeakPolarHBondContact CB-ND2 3.27Å; S416-N448 PolarHBondContact OG-ND2 2.72Å; N445-N448 PolarHBondContact O-N 3.45Å; N448-L450 VanDerWaalsContact C-N 3.27Å; N448-L450 PolarHBondContact O-N 3.34Å; N448-T451 WeakPolarHBondContact CA-OG1 3.49Å; N448-T451 PolarHBondContact O-N 2.95Å; N448-T451 PolarHBondContact O-OG1 2.89Å; N448-Q452 WeakPolarHBondContact O-CB 3.37Å; N448-Q452 VanDerWaalsContact O-CG 3.25Å; N448-Q452 WeakPolarHBondContact O-CG 3.45Å; N448-Q452 PolarHBondContact O-N 3.28Å |
| 449 | T | 66.3 | Low | 63.8 | Low | 17 Ų | 17 | 55.6 Ų | 55.6 | 10% | 0.104 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -30.6 | -179.8 | -31.9 | 0 | 0 | 0 | 0 | 111.9 | L453 F473 I481 | T449-L453 WeakPolarHBondContact O-CG 3.13Å; T449-L453 PolarHBondContact O-N 3.07Å; T449-F473 HydrophobicContact CG2-CE1 4.17Å; T449-F473 HydrophobicContact CG2-CZ 4.11Å; T449-I481 HydrophobicContact CG2-CD1 3.8Å |
| 450 | L | 71.6 | Confident | 66.7 | Low | 55 Ų | 55 | 53.5 Ų | 53.5 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75.6 | -39.5 | 177.8 | -173.3 | 62 | 0 | 0 | 0 | 112.1 | S447 N448 Q452 L453 Q454 K484 | S447-L450 PolarHBondContact O-N 2.95Å; N448-L450 VanDerWaalsContact C-N 3.27Å; N448-L450 PolarHBondContact O-N 3.34Å; L450-Q452 VanDerWaalsContact C-N 3.29Å; L450-L453 HydrophobicContact CD1-CD1 4.18Å; L450-L453 PolarHBondContact O-N 2.97Å; L450-Q454 WeakPolarHBondContact O-CG 3.32Å; L450-Q454 PolarHBondContact O-N 2.93Å; L450-Q454 VanDerWaalsContact O-N 3.09Å; L450-K484 HydrophobicContact CD1-CB 3.97Å; L450-K484 HydrophobicContact CD1-CD 4.12Å |
| 451 | T | 79.6 | Confident | 69.1 | Low | 35 Ų | 35 | 58 Ų | 58 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.7 | -31.8 | 172.4 | 46.7 | 0 | 0 | 0 | 0 | 112 | H385 R387 S447 N448 G455 | H385-T451 PolarHBondContact O-OG1 2.96Å; R387-T451 WeakPolarHBondContact CA-O 3.18Å; S447-T451 PolarHBondContact O-N 2.88Å; S447-T451 PolarHBondContact O-OG1 2.9Å; N448-T451 WeakPolarHBondContact CA-OG1 3.49Å; N448-T451 PolarHBondContact O-N 2.95Å; N448-T451 PolarHBondContact O-OG1 2.89Å; T451-G455 PolarHBondContact O-N 2.76Å |
| 452 | Q | 83 | Confident | 71.8 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 2% | 0.023 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.5 | -52.9 | 168.7 | -72.6 | 173.4 | -38.4 | 0 | 0 | 111.2 | L380 Y384 I411 N448 L450 Q454 G455 M456 | L380-Q452 HydrophobicContact CD2-CB 4.08Å; L380-Q452 HydrophobicContact CD2-CG 3.84Å; Y384-Q452 PolarHBondContact O-NE2 3.45Å; I411-Q452 HydrophobicContact CD1-CB 3.96Å; N448-Q452 WeakPolarHBondContact O-CB 3.37Å; N448-Q452 VanDerWaalsContact O-CG 3.25Å; N448-Q452 WeakPolarHBondContact O-CG 3.45Å; N448-Q452 PolarHBondContact O-N 3.28Å; L450-Q452 VanDerWaalsContact C-N 3.29Å; Q452-Q454 PolarHBondContact O-N 2.86Å; Q452-G455 CarbonylContact O-C 3.34Å; Q452-G455 WeakPolarHBondContact O-CA 3.4Å; Q452-G455 PolarHBondContact O-N 2.71Å; Q452-M456 WeakPolarHBondContact O-CG 3.4Å; Q452-M456 PolarHBondContact O-N 3.27Å |
| 453 | L | 83.3 | Confident | 74.4 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -51.9 | -49.8 | 177.4 | -75.2 | 175.1 | 0 | 0 | 0 | 113 | I411 T449 L450 G455 M456 E457 I481 | I411-L453 HydrophobicContact CD1-CD2 3.93Å; I411-L453 HydrophobicContact CD1-CG 4.34Å; T449-L453 WeakPolarHBondContact O-CG 3.13Å; T449-L453 PolarHBondContact O-N 3.07Å; L450-L453 HydrophobicContact CD1-CD1 4.18Å; L450-L453 PolarHBondContact O-N 2.97Å; L453-G455 PolarHBondContact O-N 3.45Å; L453-M456 WeakPolarHBondContact O-CA 3.34Å; L453-M456 WeakPolarHBondContact O-CB 3.36Å; L453-M456 PolarHBondContact O-N 3.36Å; L453-E457 WeakPolarHBondContact O-CG 3.48Å; L453-E457 PolarHBondContact O-N 3.18Å; L453-I481 HydrophobicContact CD1-CB 4.42Å; L453-I481 HydrophobicContact CD1-CD1 3.67Å; L453-I481 HydrophobicContact CD1-CG2 3.84Å; L453-I481 HydrophobicContact CD2-CD1 4.13Å; L453-I481 HydrophobicContact CD2-CG2 3.5Å; L453-I481 VanDerWaalsContact CD2-CG2 3.5Å; L453-I481 HydrophobicContact CG-CD1 4.04Å; L453-I481 HydrophobicContact CG-CG2 4.26Å |
| 454 | Q | 85.9 | Confident | 77.2 | Confident | 68 Ų | 68 | 46.5 Ų | 46.5 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.2 | -30.9 | 178.4 | -69.6 | -178.7 | -0.6 | 0 | 0 | 112.4 | R387 L450 Q452 D458 | R387-Q454 HydrophobicContact CG-CB 4.18Å; L450-Q454 WeakPolarHBondContact O-CG 3.32Å; L450-Q454 PolarHBondContact O-N 2.93Å; L450-Q454 VanDerWaalsContact O-N 3.09Å; Q452-Q454 PolarHBondContact O-N 2.86Å; Q454-D458 VanDerWaalsContact O-CG 3.24Å; Q454-D458 PolarHBondContact O-N 2.87Å |
| 455 | G | 89.5 | Confident | 79.9 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.1 | -33.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V390 T451 Q452 L453 D458 V459 | V390-G455 VanDerWaalsContact CG1-C 3.5Å; T451-G455 PolarHBondContact O-N 2.76Å; Q452-G455 CarbonylContact O-C 3.34Å; Q452-G455 WeakPolarHBondContact O-CA 3.4Å; Q452-G455 PolarHBondContact O-N 2.71Å; L453-G455 PolarHBondContact O-N 3.45Å; G455-D458 PolarHBondContact O-N 3.2Å; G455-V459 WeakPolarHBondContact O-CG2 3.34Å; G455-V459 PolarHBondContact O-N 2.83Å; G455-V459 VanDerWaalsContact O-N 3.1Å |
| 456 | M | 92.9 | Very high | 82.4 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 171.5 | -54.2 | -60.4 | -73.8 | 0 | 0 | 110.2 | L380 V390 F409 I411 Q452 L453 V459 L460 I468 | L380-M456 HydrophobicContact CB-SD 4.48Å; L380-M456 HydrophobicContact CD2-SD 4.14Å; V390-M456 HydrophobicContact CG1-SD 3.71Å; F409-M456 VanDerWaalsContact C-CE 3.42Å; F409-M456 HydrophobicContact CB-CE 3.96Å; F409-M456 HydrophobicContact CD1-CE 3.32Å; F409-M456 HydrophobicContact CD1-SD 3.64Å; F409-M456 HydrophobicContact CE1-CE 3.98Å; F409-M456 HydrophobicContact CE1-SD 3.73Å; F409-M456 HydrophobicContact CG-CE 3.71Å; F409-M456 WeakPolarHBondContact O-CE 3.47Å; I411-M456 HydrophobicContact CD1-CG 4.08Å; I411-M456 HydrophobicContact CG1-CE 4.2Å; I411-M456 HydrophobicContact CG1-CG 3.91Å; I411-M456 HydrophobicContact CG1-SD 3.91Å; Q452-M456 WeakPolarHBondContact O-CG 3.4Å; Q452-M456 PolarHBondContact O-N 3.27Å; L453-M456 WeakPolarHBondContact O-CA 3.34Å; L453-M456 WeakPolarHBondContact O-CB 3.36Å; L453-M456 PolarHBondContact O-N 3.36Å; M456-V459 WeakPolarHBondContact O-CG2 3.26Å; M456-V459 PolarHBondContact O-N 2.81Å; M456-L460 WeakPolarHBondContact O-CB 3.46Å; M456-L460 PolarHBondContact O-N 3.38Å; M456-I468 HydrophobicContact CB-CB 4.23Å; M456-I468 HydrophobicContact CB-CD1 3.95Å; M456-I468 HydrophobicContact CB-CG2 4.02Å; M456-I468 HydrophobicContact CE-CB 4.42Å; M456-I468 HydrophobicContact CE-CG2 4.43Å |
| 457 | E | 91.4 | Very high | 84.7 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.4 | -67.7 | 171.2 | -178.1 | 0 | 0 | 111.3 | L453 V459 L460 N461 I468 C485 S486 V487 | L453-E457 WeakPolarHBondContact O-CG 3.48Å; L453-E457 PolarHBondContact O-N 3.18Å; E457-V459 PolarHBondContact O-N 3.06Å; E457-L460 PolarHBondContact O-N 2.77Å; E457-N461 WeakPolarHBondContact O-CB 3.46Å; E457-N461 VanDerWaalsContact O-CG 3.3Å; E457-N461 PolarHBondContact O-N 3.38Å; E457-N461 PolarHBondContact O-ND2 3Å; E457-I468 HydrophobicContact CG-CD1 4.03Å; E457-C485 VanDerWaalsContact OE1-CA 3.31Å; E457-C485 WeakPolarHBondContact OE1-CA 3.31Å; E457-C485 WeakPolarHBondContact OE1-CB 3.34Å; E457-S486 PolarHBondContact OE1-N 3.12Å; E457-S486 PolarHBondContact OE1-OG 3.07Å; E457-S486 PolarHBondContact OE2-OG 3.26Å; E457-V487 HydrophobicContact CG-CB 4.14Å; E457-V487 HydrophobicContact CG-CG2 4.18Å; E457-V487 PolarHBondContact OE1-N 3.35Å; E457-V487 VanDerWaalsContact OE1-N 3.12Å |
| 458 | D | 92.7 | Very high | 87 | Confident | 41 Ų | 41 | 32.5 Ų | 32.5 | 22% | 0.219 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 173.7 | -76.1 | -19 | 0 | 0 | 0 | 112.7 | R387 Q454 G455 N461 K462 | R387-D458 WeakPolarHBondContact CG-OD2 3.35Å; R387-D458 IonicContact CZ-OD1 3.4Å; R387-D458 IonicContact CZ-OD2 3.61Å; R387-D458 IonicContact NE-OD1 3.24Å; R387-D458 IonicContact NE-OD2 3.09Å; R387-D458 PolarHBondContact NE-OD2 2.98Å; R387-D458 IonicContact NH2-OD1 2.73Å; R387-D458 PolarHBondContact NH2-OD1 2.91Å; R387-D458 IonicContact NH2-OD2 2.68Å; R387-D458 PolarHBondContact NH2-OD2 3.33Å; Q454-D458 VanDerWaalsContact O-CG 3.24Å; Q454-D458 PolarHBondContact O-N 2.87Å; G455-D458 PolarHBondContact O-N 3.2Å; D458-N461 PolarHBondContact O-N 3.11Å; D458-K462 WeakPolarHBondContact O-CB 3.44Å; D458-K462 VanDerWaalsContact O-CG 3.22Å; D458-K462 WeakPolarHBondContact O-CG 3.43Å; D458-K462 PolarHBondContact O-N 3.23Å; D458-K462 VanDerWaalsContact O-N 3.07Å |
| 459 | V | 94.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.3 | -29.4 | -178.1 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | E391 L394 F409 G455 M456 E457 K462 G463 L464 T465 | E391-V459 HydrophobicContact CB-CG1 3.83Å; E391-V459 HydrophobicContact CG-CG1 4.23Å; L394-V459 HydrophobicContact CD2-CB 3.7Å; L394-V459 HydrophobicContact CD2-CG1 4.05Å; L394-V459 HydrophobicContact CD2-CG2 3.77Å; F409-V459 HydrophobicContact CD1-CG2 4.01Å; F409-V459 HydrophobicContact CE1-CG2 4.41Å; G455-V459 WeakPolarHBondContact O-CG2 3.34Å; G455-V459 PolarHBondContact O-N 2.83Å; G455-V459 VanDerWaalsContact O-N 3.1Å; M456-V459 WeakPolarHBondContact O-CG2 3.26Å; M456-V459 PolarHBondContact O-N 2.81Å; E457-V459 PolarHBondContact O-N 3.06Å; V459-K462 PolarHBondContact O-N 2.96Å; V459-G463 PolarHBondContact O-N 3.13Å; V459-L464 HydrophobicContact CB-CB 4.23Å; V459-L464 HydrophobicContact CB-CD1 4.39Å; V459-L464 HydrophobicContact CG1-CD1 4.23Å; V459-L464 PolarHBondContact O-N 3.31Å; V459-T465 HydrophobicContact CG2-CG2 4Å |
| 460 | L | 93.1 | Very high | 89.8 | Confident | 31 Ų | 31 | 31 Ų | 31 | 16% | 0.162 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -50.4 | 170 | 179.7 | 65.5 | 0 | 0 | 0 | 110.8 | M456 E457 K462 G463 T465 R466 I468 V487 | M456-L460 WeakPolarHBondContact O-CB 3.46Å; M456-L460 PolarHBondContact O-N 3.38Å; E457-L460 PolarHBondContact O-N 2.77Å; L460-K462 PolarHBondContact O-N 3.38Å; L460-K462 VanDerWaalsContact O-N 3.14Å; L460-G463 PolarHBondContact O-N 3.26Å; L460-T465 HydrophobicContact CB-CG2 4.15Å; L460-T465 HydrophobicContact CD1-CG2 4.28Å; L460-T465 WeakPolarHBondContact CD1-O 3.19Å; L460-R466 VanDerWaalsContact CD1-C 3.48Å; L460-R466 VanDerWaalsContact CD1-O 3.3Å; L460-R466 WeakPolarHBondContact CD1-O 3.47Å; L460-I468 HydrophobicContact CB-CG2 4Å; L460-I468 HydrophobicContact CD2-CD1 4.16Å; L460-I468 HydrophobicContact CD2-CG1 4.16Å; L460-I468 HydrophobicContact CD2-CG2 4.34Å; L460-V487 HydrophobicContact CD2-CB 4.28Å; L460-V487 HydrophobicContact CD2-CG1 3.7Å; L460-V487 HydrophobicContact CD2-CG2 4.28Å |
| 461 | N | 88.1 | Confident | 90.8 | Very high | 116 Ų | 116 | 28.5 Ų | 28.5 | 62% | 0.62 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -63.6 | -18 | 176.8 | -72.2 | -50.7 | 0 | 0 | 0 | 113.4 | E457 D458 | E457-N461 WeakPolarHBondContact O-CB 3.46Å; E457-N461 VanDerWaalsContact O-CG 3.3Å; E457-N461 PolarHBondContact O-N 3.38Å; E457-N461 PolarHBondContact O-ND2 3Å; D458-N461 PolarHBondContact O-N 3.11Å |
| 462 | K | 89.5 | Confident | 91.1 | Very high | 112 Ų | 112 | 27.9 Ų | 27.9 | 49% | 0.487 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 1.7 | 173.3 | -73.6 | 174 | 177.2 | -171.2 | 0 | 114.1 | E391 D458 V459 L460 L464 | E391-K462 IonicContact OE1-NZ 2.72Å; E391-K462 PolarHBondContact OE1-NZ 2.79Å; E391-K462 IonicContact OE2-NZ 3.89Å; E391-K462 PolarHBondContact OE2-NZ 3.49Å; D458-K462 WeakPolarHBondContact O-CB 3.44Å; D458-K462 VanDerWaalsContact O-CG 3.22Å; D458-K462 WeakPolarHBondContact O-CG 3.43Å; D458-K462 PolarHBondContact O-N 3.23Å; D458-K462 VanDerWaalsContact O-N 3.07Å; V459-K462 PolarHBondContact O-N 2.96Å; L460-K462 PolarHBondContact O-N 3.38Å; L460-K462 VanDerWaalsContact O-N 3.14Å; K462-L464 HydrophobicContact CB-CD1 4.29Å; K462-L464 HydrophobicContact CB-CG 4.1Å; K462-L464 PolarHBondContact O-N 3.09Å |
| 463 | G | 88 | Confident | 91.3 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 49% | 0.485 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 12.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | H405 V459 L460 T465 | H405-G463 VanDerWaalsContact CB-O 3.26Å; H405-G463 WeakPolarHBondContact CB-O 3.34Å; V459-G463 PolarHBondContact O-N 3.13Å; L460-G463 PolarHBondContact O-N 3.26Å; G463-T465 VanDerWaalsContact C-N 3.27Å |
| 464 | L | 93.4 | Very high | 91.2 | Very high | 28 Ų | 28 | 29.9 Ų | 29.9 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -77.2 | -18.3 | 177.3 | -59.5 | 175.9 | 0 | 0 | 0 | 112 | E391 L394 L398 H405 V406 V459 K462 | E391-L464 HydrophobicContact CG-CD1 4.24Å; L394-L464 HydrophobicContact CD2-CB 3.64Å; L394-L464 HydrophobicContact CG-CB 4.48Å; L398-L464 HydrophobicContact CD1-CB 4.31Å; L398-L464 HydrophobicContact CD1-CD2 4.17Å; H405-L464 VanDerWaalsContact CA-O 3.31Å; H405-L464 WeakPolarHBondContact CA-O 3.41Å; H405-L464 WeakPolarHBondContact CB-O 3.12Å; V406-L464 PolarHBondContact N-O 3.03Å; V406-L464 VanDerWaalsContact N-O 3.1Å; V459-L464 HydrophobicContact CB-CB 4.23Å; V459-L464 HydrophobicContact CB-CD1 4.39Å; V459-L464 HydrophobicContact CG1-CD1 4.23Å; V459-L464 PolarHBondContact O-N 3.31Å; K462-L464 HydrophobicContact CB-CD1 4.29Å; K462-L464 HydrophobicContact CB-CG 4.1Å; K462-L464 PolarHBondContact O-N 3.09Å |
| 465 | T | 96.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152 | 165.2 | -172 | 0 | 0 | 0 | 0 | 110.3 | V406 F409 V459 L460 G463 A467 I468 | V406-T465 CarbonylContact O-C 3.56Å; V406-T465 WeakPolarHBondContact O-CA 3.41Å; V406-T465 PolarHBondContact O-OG1 3.09Å; F409-T465 HydrophobicContact CB-CG2 4.1Å; F409-T465 PolarHBondContact N-OG1 3.32Å; V459-T465 HydrophobicContact CG2-CG2 4Å; L460-T465 HydrophobicContact CB-CG2 4.15Å; L460-T465 HydrophobicContact CD1-CG2 4.28Å; L460-T465 WeakPolarHBondContact CD1-O 3.19Å; G463-T465 VanDerWaalsContact C-N 3.27Å; T465-A467 WeakPolarHBondContact CG2-O 3.48Å; T465-A467 PolarHBondContact OG1-O 2.83Å; T465-I468 HydrophobicContact CG2-CG2 3.68Å |
| 466 | R | 91.6 | Very high | 90 | Very high | 76 Ų | 76 | 31.1 Ų | 31.1 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -27.1 | 176.5 | -56.1 | 168.2 | 79.7 | 159.4 | 17.6 | 113.3 | E224 N301 V303 V406 D407 L460 | E224-R466 IonicContact OE2-CZ 3.89Å; E224-R466 IonicContact OE2-NH1 3.86Å; E224-R466 PolarHBondContact OE2-NH1 2.88Å; E224-R466 IonicContact OE2-NH2 3.93Å; E224-R466 PolarHBondContact OE2-NH2 3.34Å; N301-R466 PolarHBondContact ND2-O 2.87Å; V303-R466 HydrophobicContact CG2-CB 4.18Å; V406-R466 PolarHBondContact O-N 3.25Å; D407-R466 CarbonylContact O-C 3.53Å; D407-R466 WeakPolarHBondContact OD1-CD 3.43Å; D407-R466 IonicContact OD1-CZ 3.84Å; D407-R466 IonicContact OD1-NE 2.65Å; D407-R466 IonicContact OD1-NH1 2.6Å; D407-R466 PolarHBondContact OD1-NH1 3.42Å; L460-R466 VanDerWaalsContact CD1-C 3.48Å; L460-R466 VanDerWaalsContact CD1-O 3.3Å; L460-R466 WeakPolarHBondContact CD1-O 3.47Å |
| 467 | A | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 159.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L299 D407 L408 F409 T465 H490 | L299-A467 HydrophobicContact CD1-CB 3.86Å; D407-A467 WeakPolarHBondContact O-CB 3.34Å; D407-A467 PolarHBondContact O-N 3.33Å; L408-A467 HydrophobicContact CD1-CB 3.87Å; F409-A467 PolarHBondContact N-O 2.9Å; T465-A467 WeakPolarHBondContact CG2-O 3.48Å; T465-A467 PolarHBondContact OG1-O 2.83Å; A467-H490 HydrophobicContact CB-CB 4.06Å |
| 468 | I | 96.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.9 | 176.5 | 62.6 | 174.5 | 0 | 0 | 0 | 111.3 | F409 M456 E457 L460 T465 V487 H490 | F409-I468 CarbonylContact O-C 3.6Å; F409-I468 VanDerWaalsContact O-CA 3.3Å; F409-I468 WeakPolarHBondContact O-CA 3.38Å; M456-I468 HydrophobicContact CB-CB 4.23Å; M456-I468 HydrophobicContact CB-CD1 3.95Å; M456-I468 HydrophobicContact CB-CG2 4.02Å; M456-I468 HydrophobicContact CE-CB 4.42Å; M456-I468 HydrophobicContact CE-CG2 4.43Å; E457-I468 HydrophobicContact CG-CD1 4.03Å; L460-I468 HydrophobicContact CB-CG2 4Å; L460-I468 HydrophobicContact CD2-CD1 4.16Å; L460-I468 HydrophobicContact CD2-CG1 4.16Å; L460-I468 HydrophobicContact CD2-CG2 4.34Å; T465-I468 HydrophobicContact CG2-CG2 3.68Å; I468-V487 HydrophobicContact CD1-CB 4.18Å; I468-V487 HydrophobicContact CD1-CG1 4.35Å; I468-H490 PolarHBondContact N-ND1 2.61Å; I468-H490 WeakPolarHBondContact O-CB 3.46Å; I468-H490 PolarHBondContact O-N 3.28Å; I468-H490 PolarHBondContact O-ND1 2.92Å |
| 469 | G | 95 | Very high | 88.7 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | -165.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | F409 L410 I411 N491 | F409-G469 PolarHBondContact O-N 2.81Å; L410-G469 WeakPolarHBondContact CA-O 3.37Å; L410-G469 VanDerWaalsContact CD2-C 3.46Å; L410-G469 VanDerWaalsContact CD2-CA 3.43Å; I411-G469 PolarHBondContact N-O 3.49Å; G469-N491 VanDerWaalsContact CA-O 3.25Å; G469-N491 WeakPolarHBondContact CA-O 3.47Å |
| 470 | L | 94.5 | Very high | 87.9 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.8 | -174.3 | -56.4 | 173.9 | 0 | 0 | 0 | 111 | I411 F473 T478 I481 P489 N491 V492 Q493 | I411-L470 HydrophobicContact CB-CD2 4.26Å; I411-L470 HydrophobicContact CD1-CD2 4.1Å; I411-L470 HydrophobicContact CG1-CD2 4.39Å; L470-F473 HydrophobicContact CB-CB 4.39Å; L470-F473 HydrophobicContact CB-CD1 4.5Å; L470-F473 HydrophobicContact CB-CD2 3.75Å; L470-F473 HydrophobicContact CB-CE2 4.13Å; L470-F473 HydrophobicContact CB-CG 3.98Å; L470-F473 HydrophobicContact CD1-CB 4.42Å; L470-F473 HydrophobicContact CD1-CD1 3.9Å; L470-F473 HydrophobicContact CD1-CE1 4.34Å; L470-F473 HydrophobicContact CD1-CG 4.07Å; L470-F473 HydrophobicContact CD2-CD1 4.32Å; L470-F473 HydrophobicContact CD2-CD2 4.41Å; L470-F473 HydrophobicContact CD2-CE1 3.98Å; L470-F473 HydrophobicContact CD2-CE2 4.07Å; L470-F473 HydrophobicContact CD2-CZ 3.86Å; L470-F473 HydrophobicContact CG-CD1 4.47Å; L470-F473 HydrophobicContact CG-CD2 4.47Å; L470-F473 HydrophobicContact CG-CG 4.44Å; L470-T478 HydrophobicContact CD1-CG2 4.04Å; L470-I481 HydrophobicContact CD1-CB 4.07Å; L470-I481 HydrophobicContact CD1-CG1 3.81Å; L470-I481 HydrophobicContact CD1-CG2 4.12Å; L470-I481 HydrophobicContact CD2-CG1 4.13Å; L470-I481 HydrophobicContact CD2-CG2 4.34Å; L470-P489 HydrophobicContact CD1-CB 4.31Å; L470-P489 HydrophobicContact CD1-CG 4.06Å; L470-P489 HydrophobicContact CG-CB 4.16Å; L470-P489 HydrophobicContact CG-CG 4.17Å; L470-N491 PolarHBondContact N-O 3.45Å; L470-V492 HydrophobicContact CB-CG2 4.33Å; L470-V492 HydrophobicContact CD1-CG2 4.46Å; L470-V492 WeakPolarHBondContact O-CA 3.41Å; L470-Q493 PolarHBondContact O-N 3.05Å |
| 471 | S | 91 | Very high | 87.4 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 134.3 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | I411 H412 T413 F473 Q493 | I411-S471 WeakPolarHBondContact O-CA 3.46Å; I411-S471 WeakPolarHBondContact O-CB 3.37Å; I411-S471 PolarHBondContact O-N 2.97Å; H412-S471 CarbonylContact C-O 3.22Å; H412-S471 CarbonylContact O-C 3.55Å; T413-S471 WeakPolarHBondContact CA-O 3.44Å; S471-F473 WeakPolarHBondContact O-CD2 3.34Å; S471-Q493 CarbonylContact C-O 3.42Å; S471-Q493 VanDerWaalsContact CA-O 3.22Å; S471-Q493 WeakPolarHBondContact CA-O 3.21Å |
| 472 | N | 87.1 | Confident | 87.2 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 63.5 | 37.1 | -177.1 | -53.8 | -73.3 | 0 | 0 | 0 | 114.9 | H412 P414 W437 Q493 Y519 | H412-N472 PolarHBondContact O-ND2 2.94Å; P414-N472 VanDerWaalsContact CD-O 3.23Å; P414-N472 WeakPolarHBondContact CD-O 3.42Å; W437-N472 HydrophobicContact CZ2-CB 4.22Å; N472-Q493 PolarHBondContact N-O 2.8Å; N472-Y519 WeakPolarHBondContact OD1-CE1 3.04Å; N472-Y519 PolarHBondContact OD1-OH 3.25Å |
| 473 | F | 86.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | trans | -103.7 | 134 | 174.6 | -75.9 | -121.9 | 0 | 0 | 0 | 110.8 | I411 P414 T449 L470 S471 Q477 T478 I481 L505 | I411-F473 HydrophobicContact CB-CE2 4.26Å; I411-F473 HydrophobicContact CB-CZ 4.35Å; I411-F473 HydrophobicContact CG2-CE2 4.04Å; I411-F473 HydrophobicContact CG2-CZ 3.98Å; P414-F473 HydrophobicContact CB-CD1 4.29Å; P414-F473 HydrophobicContact CB-CD2 4.39Å; P414-F473 HydrophobicContact CB-CE1 3.88Å; P414-F473 HydrophobicContact CB-CE2 4.01Å; P414-F473 HydrophobicContact CB-CZ 3.72Å; P414-F473 HydrophobicContact CG-CD2 4.4Å; P414-F473 HydrophobicContact CG-CE2 4.37Å; T449-F473 HydrophobicContact CG2-CE1 4.17Å; T449-F473 HydrophobicContact CG2-CZ 4.11Å; L470-F473 HydrophobicContact CB-CB 4.39Å; L470-F473 HydrophobicContact CB-CD1 4.5Å; L470-F473 HydrophobicContact CB-CD2 3.75Å; L470-F473 HydrophobicContact CB-CE2 4.13Å; L470-F473 HydrophobicContact CB-CG 3.98Å; L470-F473 HydrophobicContact CD1-CB 4.42Å; L470-F473 HydrophobicContact CD1-CD1 3.9Å; L470-F473 HydrophobicContact CD1-CE1 4.34Å; L470-F473 HydrophobicContact CD1-CG 4.07Å; L470-F473 HydrophobicContact CD2-CD1 4.32Å; L470-F473 HydrophobicContact CD2-CD2 4.41Å; L470-F473 HydrophobicContact CD2-CE1 3.98Å; L470-F473 HydrophobicContact CD2-CE2 4.07Å; L470-F473 HydrophobicContact CD2-CZ 3.86Å; L470-F473 HydrophobicContact CG-CD1 4.47Å; L470-F473 HydrophobicContact CG-CD2 4.47Å; L470-F473 HydrophobicContact CG-CG 4.44Å; S471-F473 WeakPolarHBondContact O-CD2 3.34Å; F473-Q477 HydrophobicContact CB-CB 4.13Å; F473-Q477 HydrophobicContact CD1-CB 3.65Å; F473-Q477 HydrophobicContact CE1-CB 4.5Å; F473-Q477 HydrophobicContact CG-CB 4.24Å; F473-T478 WeakPolarHBondContact CB-OG1 3.15Å; F473-I481 HydrophobicContact CD1-CG1 4.1Å; F473-I481 HydrophobicContact CE1-CD1 3.91Å; F473-I481 HydrophobicContact CE1-CG1 3.82Å; F473-L505 WeakPolarHBondContact O-CD2 3.39Å | ||
| 474 | S | 82.2 | Confident | 86.4 | Confident | 49 Ų | 49 | 36.4 Ų | 36.4 | 34% | 0.343 | 18% | 0.181 | S | C | . | . | trans | -76.6 | 164.4 | 166.8 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | S476 Q477 T478 | S474-S476 VanDerWaalsContact C-N 3.28Å; S474-S476 PolarHBondContact O-N 3.03Å; S474-Q477 CarbonylContact O-C 3.59Å; S474-Q477 WeakPolarHBondContact O-CA 3.44Å; S474-Q477 WeakPolarHBondContact O-CB 3.31Å; S474-Q477 PolarHBondContact O-N 3.25Å; S474-Q477 VanDerWaalsContact OG-CD 3.32Å; S474-Q477 WeakPolarHBondContact OG-CG 3.37Å; S474-Q477 PolarHBondContact OG-OE1 3.49Å; S474-T478 PolarHBondContact O-N 3.49Å; S474-T478 PolarHBondContact O-OG1 2.88Å | ||
| 475 | V | 76 | Confident | 85.8 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 19% | 0.188 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -46.4 | -51.5 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | Q477 T478 Q479 E504 L505 F508 | V475-Q477 VanDerWaalsContact C-N 3.26Å; V475-Q477 PolarHBondContact O-N 3.1Å; V475-T478 PolarHBondContact O-N 3.35Å; V475-Q479 PolarHBondContact O-N 3.02Å; V475-E504 HydrophobicContact CG2-CG 4.19Å; V475-L505 HydrophobicContact CG2-CB 3.97Å; V475-L505 HydrophobicContact CG2-CD1 3.82Å; V475-F508 HydrophobicContact CG1-CB 4.36Å; V475-F508 HydrophobicContact CG1-CD1 4.22Å; V475-F508 HydrophobicContact CG1-CD2 3.8Å; V475-F508 HydrophobicContact CG1-CE2 4.11Å; V475-F508 HydrophobicContact CG1-CG 3.85Å; V475-F508 HydrophobicContact CG1-CZ 4.45Å; V475-F508 HydrophobicContact CG2-CB 4.21Å; V475-F508 HydrophobicContact CG2-CG 4.38Å |
| 476 | S | 73.6 | Confident | 85.2 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 44% | 0.441 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63 | -30.2 | -179.8 | 87.4 | 0 | 0 | 0 | 0 | 113.5 | S474 R480 | S474-S476 VanDerWaalsContact C-N 3.28Å; S474-S476 PolarHBondContact O-N 3.03Å; S476-R480 VanDerWaalsContact O-CG 3.3Å; S476-R480 WeakPolarHBondContact O-CG 3.32Å; S476-R480 PolarHBondContact O-N 2.95Å; S476-R480 PolarHBondContact O-NE 3.29Å; S476-R480 PolarHBondContact O-NH1 2.99Å; S476-R480 PolarHBondContact OG-NH1 3.2Å; S476-R480 PolarHBondContact OG-NH2 3.05Å |
| 477 | Q | 83.1 | Confident | 84.9 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -78.3 | -44.5 | 176.8 | -70.6 | 161.6 | -45.7 | 0 | 0 | 110.6 | P414 F473 S474 V475 R480 I481 | P414-Q477 VanDerWaalsContact CG-NE2 3.31Å; F473-Q477 HydrophobicContact CB-CB 4.13Å; F473-Q477 HydrophobicContact CD1-CB 3.65Å; F473-Q477 HydrophobicContact CE1-CB 4.5Å; F473-Q477 HydrophobicContact CG-CB 4.24Å; S474-Q477 CarbonylContact O-C 3.59Å; S474-Q477 WeakPolarHBondContact O-CA 3.44Å; S474-Q477 WeakPolarHBondContact O-CB 3.31Å; S474-Q477 PolarHBondContact O-N 3.25Å; S474-Q477 VanDerWaalsContact OG-CD 3.32Å; S474-Q477 WeakPolarHBondContact OG-CG 3.37Å; S474-Q477 PolarHBondContact OG-OE1 3.49Å; V475-Q477 VanDerWaalsContact C-N 3.26Å; V475-Q477 PolarHBondContact O-N 3.1Å; Q477-R480 PolarHBondContact O-N 2.64Å; Q477-I481 WeakPolarHBondContact O-CG1 3.43Å; Q477-I481 PolarHBondContact O-N 3.04Å |
| 478 | T | 83.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | L470 F473 S474 V475 R480 I481 L482 V492 F508 | L470-T478 HydrophobicContact CD1-CG2 4.04Å; F473-T478 WeakPolarHBondContact CB-OG1 3.15Å; S474-T478 PolarHBondContact O-N 3.49Å; S474-T478 PolarHBondContact O-OG1 2.88Å; V475-T478 PolarHBondContact O-N 3.35Å; T478-R480 VanDerWaalsContact C-N 3.32Å; T478-R480 PolarHBondContact O-N 3.03Å; T478-I481 WeakPolarHBondContact O-CA 3.38Å; T478-I481 WeakPolarHBondContact O-CB 3.49Å; T478-I481 PolarHBondContact O-N 3.36Å; T478-L482 HydrophobicContact CG2-CD1 4.39Å; T478-L482 WeakPolarHBondContact O-CG 3.29Å; T478-L482 PolarHBondContact O-N 3.46Å; T478-V492 HydrophobicContact CG2-CG2 4.03Å; T478-F508 HydrophobicContact CG2-CE1 3.77Å |
| 479 | Q | 83.6 | Confident | 84.5 | Confident | 67 Ų | 67 | 41.8 Ų | 41.8 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.5 | -44.9 | 173.3 | -174 | 60.3 | 54 | 0 | 0 | 111.5 | V475 I481 L482 D483 F508 | V475-Q479 PolarHBondContact O-N 3.02Å; Q479-I481 PolarHBondContact O-N 3.21Å; Q479-I481 VanDerWaalsContact O-N 3.12Å; Q479-L482 CarbonylContact O-C 3.6Å; Q479-L482 WeakPolarHBondContact O-CA 3.25Å; Q479-L482 WeakPolarHBondContact O-CB 3.43Å; Q479-L482 PolarHBondContact O-N 2.94Å; Q479-D483 PolarHBondContact NE2-OD1 2.65Å; Q479-D483 PolarHBondContact O-N 3.36Å; Q479-F508 HydrophobicContact CB-CZ 4.11Å |
| 480 | R | 77.7 | Confident | 84.5 | Confident | 113 Ų | 113 | 41.9 Ų | 41.9 | 43% | 0.426 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.1 | -12.8 | 176.8 | -71 | -173.8 | -57.1 | -95.4 | 8.1 | 114.9 | S476 Q477 T478 D483 | S476-R480 VanDerWaalsContact O-CG 3.3Å; S476-R480 WeakPolarHBondContact O-CG 3.32Å; S476-R480 PolarHBondContact O-N 2.95Å; S476-R480 PolarHBondContact O-NE 3.29Å; S476-R480 PolarHBondContact O-NH1 2.99Å; S476-R480 PolarHBondContact OG-NH1 3.2Å; S476-R480 PolarHBondContact OG-NH2 3.05Å; Q477-R480 PolarHBondContact O-N 2.64Å; T478-R480 VanDerWaalsContact C-N 3.32Å; T478-R480 PolarHBondContact O-N 3.03Å; R480-D483 WeakPolarHBondContact CA-OD2 3.07Å |
| 481 | I | 83.2 | Confident | 84.6 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -83.7 | -49.3 | 166.8 | -61 | -56.8 | 0 | 0 | 0 | 109.8 | T449 L453 L470 F473 Q477 T478 Q479 D483 K484 C485 P489 | T449-I481 HydrophobicContact CG2-CD1 3.8Å; L453-I481 HydrophobicContact CD1-CB 4.42Å; L453-I481 HydrophobicContact CD1-CD1 3.67Å; L453-I481 HydrophobicContact CD1-CG2 3.84Å; L453-I481 HydrophobicContact CD2-CD1 4.13Å; L453-I481 HydrophobicContact CD2-CG2 3.5Å; L453-I481 VanDerWaalsContact CD2-CG2 3.5Å; L453-I481 HydrophobicContact CG-CD1 4.04Å; L453-I481 HydrophobicContact CG-CG2 4.26Å; L470-I481 HydrophobicContact CD1-CB 4.07Å; L470-I481 HydrophobicContact CD1-CG1 3.81Å; L470-I481 HydrophobicContact CD1-CG2 4.12Å; L470-I481 HydrophobicContact CD2-CG1 4.13Å; L470-I481 HydrophobicContact CD2-CG2 4.34Å; F473-I481 HydrophobicContact CD1-CG1 4.1Å; F473-I481 HydrophobicContact CE1-CD1 3.91Å; F473-I481 HydrophobicContact CE1-CG1 3.82Å; Q477-I481 WeakPolarHBondContact O-CG1 3.43Å; Q477-I481 PolarHBondContact O-N 3.04Å; T478-I481 WeakPolarHBondContact O-CA 3.38Å; T478-I481 WeakPolarHBondContact O-CB 3.49Å; T478-I481 PolarHBondContact O-N 3.36Å; Q479-I481 PolarHBondContact O-N 3.21Å; Q479-I481 VanDerWaalsContact O-N 3.12Å; I481-D483 PolarHBondContact O-N 2.85Å; I481-K484 CarbonylContact O-C 3.47Å; I481-K484 PolarHBondContact O-N 2.96Å; I481-C485 HydrophobicContact CG2-CB 4.39Å; I481-C485 PolarHBondContact O-N 3.12Å; I481-C485 PolarHBondContact O-SG 3.14Å; I481-C485 VanDerWaalsContact O-SG 3.38Å; I481-P489 HydrophobicContact CG2-CG 3.56Å |
| 482 | L | 82.9 | Confident | 84.9 | Confident | 30 Ų | 30 | 41.7 Ų | 41.7 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -34.4 | 177.3 | -65.9 | 172.7 | 0 | 0 | 0 | 113 | T478 Q479 K484 K488 F508 Q512 I514 | T478-L482 HydrophobicContact CG2-CD1 4.39Å; T478-L482 WeakPolarHBondContact O-CG 3.29Å; T478-L482 PolarHBondContact O-N 3.46Å; Q479-L482 CarbonylContact O-C 3.6Å; Q479-L482 WeakPolarHBondContact O-CA 3.25Å; Q479-L482 WeakPolarHBondContact O-CB 3.43Å; Q479-L482 PolarHBondContact O-N 2.94Å; L482-K484 PolarHBondContact O-N 3.41Å; L482-K484 VanDerWaalsContact O-N 3.11Å; L482-K488 HydrophobicContact CD2-CD 4.13Å; L482-K488 HydrophobicContact CD2-CG 3.67Å; L482-F508 HydrophobicContact CD1-CE1 4.2Å; L482-F508 HydrophobicContact CD1-CZ 3.93Å; L482-Q512 HydrophobicContact CD1-CG 3.96Å; L482-I514 HydrophobicContact CD1-CD1 4.16Å; L482-I514 HydrophobicContact CD2-CD1 4.07Å |
| 483 | D | 80.1 | Confident | 85.3 | Confident | 101 Ų | 101 | 40.7 Ų | 40.7 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.3 | 174.4 | -59.7 | -25.2 | 0 | 0 | 0 | 113.8 | Q479 R480 I481 | Q479-D483 PolarHBondContact NE2-OD1 2.65Å; Q479-D483 PolarHBondContact O-N 3.36Å; R480-D483 WeakPolarHBondContact CA-OD2 3.07Å; I481-D483 PolarHBondContact O-N 2.85Å |
| 484 | K | 80.2 | Confident | 85.6 | Confident | 133 Ų | 133 | 40.7 Ų | 40.7 | 58% | 0.578 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -144.8 | -20.1 | -164.5 | -64.7 | -165.2 | 177.5 | -163.5 | 0 | 117.3 | L450 I481 L482 | L450-K484 HydrophobicContact CD1-CB 3.97Å; L450-K484 HydrophobicContact CD1-CD 4.12Å; I481-K484 CarbonylContact O-C 3.47Å; I481-K484 PolarHBondContact O-N 2.96Å; L482-K484 PolarHBondContact O-N 3.41Å; L482-K484 VanDerWaalsContact O-N 3.11Å |
| 485 | C | 82.3 | Confident | 85.7 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 17% | 0.169 | 21% | 0.206 | C | C | . | . | trans | -72.4 | 143.2 | 177.9 | 58.8 | 0 | 0 | 0 | 0 | 111 | E457 I481 V487 | E457-C485 VanDerWaalsContact OE1-CA 3.31Å; E457-C485 WeakPolarHBondContact OE1-CA 3.31Å; E457-C485 WeakPolarHBondContact OE1-CB 3.34Å; I481-C485 HydrophobicContact CG2-CB 4.39Å; I481-C485 PolarHBondContact O-N 3.12Å; I481-C485 PolarHBondContact O-SG 3.14Å; I481-C485 VanDerWaalsContact O-SG 3.38Å; C485-V487 VanDerWaalsContact CB-O 3.27Å; C485-V487 WeakPolarHBondContact CB-O 3.45Å; C485-V487 PolarHBondContact SG-O 2.84Å | ||
| 486 | S | 83.3 | Confident | 86.3 | Confident | 95 Ų | 95 | 38.1 Ų | 38.1 | 66% | 0.664 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -81.1 | -23.9 | 164.6 | 75.4 | 0 | 0 | 0 | 0 | 111.8 | E457 | E457-S486 PolarHBondContact OE1-N 3.12Å; E457-S486 PolarHBondContact OE1-OG 3.07Å; E457-S486 PolarHBondContact OE2-OG 3.26Å |
| 487 | V | 85.1 | Confident | 86.8 | Confident | 37 Ų | 37 | 35.4 Ų | 35.4 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -121.9 | 124.6 | 171.5 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | E457 L460 I468 C485 | E457-V487 HydrophobicContact CG-CB 4.14Å; E457-V487 HydrophobicContact CG-CG2 4.18Å; E457-V487 PolarHBondContact OE1-N 3.35Å; E457-V487 VanDerWaalsContact OE1-N 3.12Å; L460-V487 HydrophobicContact CD2-CB 4.28Å; L460-V487 HydrophobicContact CD2-CG1 3.7Å; L460-V487 HydrophobicContact CD2-CG2 4.28Å; I468-V487 HydrophobicContact CD1-CB 4.18Å; I468-V487 HydrophobicContact CD1-CG1 4.35Å; C485-V487 VanDerWaalsContact CB-O 3.27Å; C485-V487 WeakPolarHBondContact CB-O 3.45Å; C485-V487 PolarHBondContact SG-O 2.84Å |
| 488 | K | 89.7 | Confident | 86.4 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | trans | -61.7 | 135.4 | -178.6 | -173.2 | 164.6 | -168.5 | 168.8 | 0 | 111.3 | L482 H490 Q512 | L482-K488 HydrophobicContact CD2-CD 4.13Å; L482-K488 HydrophobicContact CD2-CG 3.67Å; K488-H490 PolarHBondContact O-CE1 3.27Å; K488-H490 PolarHBondContact O-N 2.91Å; K488-H490 PolarHBondContact O-ND1 3.38Å; K488-Q512 WeakPolarHBondContact CE-O 3.15Å; K488-Q512 PolarHBondContact NZ-O 3.28Å | ||
| 489 | P | 93.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | trans | -55.9 | 128.2 | 168.5 | -27.1 | 36 | 0 | 0 | 0 | 111.3 | H300 L470 I481 I514 | H300-P489 PolarHBondContact CE1-O 3.38Å; L470-P489 HydrophobicContact CD1-CB 4.31Å; L470-P489 HydrophobicContact CD1-CG 4.06Å; L470-P489 HydrophobicContact CG-CB 4.16Å; L470-P489 HydrophobicContact CG-CG 4.17Å; I481-P489 HydrophobicContact CG2-CG 3.56Å; P489-I514 WeakPolarHBondContact O-CG1 3.33Å; P489-I514 WeakPolarHBondContact O-CG2 3.34Å | ||
| 490 | H | 94.9 | Very high | 84.9 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -84.6 | -28.2 | -176.9 | -56.4 | 72.2 | 0 | 0 | 0 | 111.8 | L299 H300 N301 A467 I468 K488 S515 | L299-H490 HydrophobicContact CB-CB 4.46Å; L299-H490 HydrophobicContact CD1-CB 4.2Å; H300-H490 AromaticContact CE1-CD2 3.74Å; H300-H490 AromaticContact CE1-CG 3.84Å; H300-H490 AromaticContact NE2-CD2 3.7Å; H300-H490 AromaticContact NE2-NE2 3.8Å; N301-H490 WeakPolarHBondContact CB-NE2 3.34Å; N301-H490 PolarHBondContact ND2-CD2 2.87Å; N301-H490 PolarHBondContact ND2-NE2 2.96Å; N301-H490 PolarHBondContact OD1-CD2 2.74Å; A467-H490 HydrophobicContact CB-CB 4.06Å; I468-H490 PolarHBondContact N-ND1 2.61Å; I468-H490 WeakPolarHBondContact O-CB 3.46Å; I468-H490 PolarHBondContact O-N 3.28Å; I468-H490 PolarHBondContact O-ND1 2.92Å; K488-H490 PolarHBondContact O-CE1 3.27Å; K488-H490 PolarHBondContact O-N 2.91Å; K488-H490 PolarHBondContact O-ND1 3.38Å; H490-S515 PolarHBondContact O-N 3.28Å |
| 491 | N | 96.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 145.4 | -177.7 | -165.1 | -86.3 | 0 | 0 | 0 | 111.6 | L408 L410 G469 L470 S515 T517 I576 | L408-N491 HydrophobicContact CD1-CB 4.15Å; L408-N491 HydrophobicContact CD2-CB 3.8Å; L410-N491 HydrophobicContact CD2-CB 4.44Å; G469-N491 VanDerWaalsContact CA-O 3.25Å; G469-N491 WeakPolarHBondContact CA-O 3.47Å; L470-N491 PolarHBondContact N-O 3.45Å; N491-S515 CarbonylContact C-O 3.51Å; N491-S515 VanDerWaalsContact CA-O 3.23Å; N491-S515 WeakPolarHBondContact CA-O 3.44Å; N491-S515 PolarHBondContact ND2-O 3.08Å; N491-T517 PolarHBondContact ND2-OG1 3.16Å; N491-T517 PolarHBondContact OD1-OG1 2.69Å; N491-I576 WeakPolarHBondContact ND2-CD1 3.03Å |
| 492 | V | 97.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121 | 165.8 | 170.6 | 0 | 0 | 0 | 0 | 108.7 | L470 T478 V494 L505 I514 S515 T517 | L470-V492 HydrophobicContact CB-CG2 4.33Å; L470-V492 HydrophobicContact CD1-CG2 4.46Å; L470-V492 WeakPolarHBondContact O-CA 3.41Å; T478-V492 HydrophobicContact CG2-CG2 4.03Å; V492-V494 HydrophobicContact CG1-CG1 4.16Å; V492-L505 HydrophobicContact CG1-CD1 4.48Å; V492-L505 HydrophobicContact CG1-CD2 4.14Å; V492-L505 HydrophobicContact CG1-CG 4.47Å; V492-I514 HydrophobicContact CG2-CG2 3.95Å; V492-S515 PolarHBondContact N-O 3.3Å; V492-T517 PolarHBondContact O-N 2.77Å |
| 493 | Q | 96.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.8 | 180 | -173.5 | -179.7 | 110.1 | 0 | 0 | 111.3 | D345 L410 L470 S471 N472 T517 Y519 I578 | D345-Q493 PolarHBondContact OD2-NE2 3.09Å; D345-Q493 PolarHBondContact OD2-OE1 2.77Å; L410-Q493 HydrophobicContact CD1-CB 3.87Å; L470-Q493 PolarHBondContact O-N 3.05Å; S471-Q493 CarbonylContact C-O 3.42Å; S471-Q493 VanDerWaalsContact CA-O 3.22Å; S471-Q493 WeakPolarHBondContact CA-O 3.21Å; N472-Q493 PolarHBondContact N-O 2.8Å; Q493-T517 WeakPolarHBondContact CA-O 3.17Å; Q493-T517 HydrophobicContact CG-CG2 3.9Å; Q493-Y519 HydrophobicContact CG-CD1 3.99Å; Q493-I578 HydrophobicContact CG-CD1 4.5Å |
| 494 | V | 91.7 | Very high | 84.1 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 159.9 | -179.8 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | V492 C496 Q502 L505 F516 T517 Y519 | V492-V494 HydrophobicContact CG1-CG1 4.16Å; V494-C496 PolarHBondContact O-N 3.16Å; V494-Q502 HydrophobicContact CG2-CB 4.29Å; V494-Q502 HydrophobicContact CG2-CG 3.88Å; V494-L505 HydrophobicContact CB-CD2 4.4Å; V494-L505 HydrophobicContact CG1-CD2 3.63Å; V494-L505 HydrophobicContact CG2-CD2 4.01Å; V494-F516 HydrophobicContact CG2-CE1 4.18Å; V494-F516 HydrophobicContact CG2-CE2 3.54Å; V494-F516 HydrophobicContact CG2-CZ 3.27Å; V494-T517 PolarHBondContact N-O 3.36Å; V494-Y519 VanDerWaalsContact O-CD1 3.26Å; V494-Y519 WeakPolarHBondContact O-CD1 3.42Å; V494-Y519 PolarHBondContact O-N 3.04Å |
| 495 | E | 85.2 | Confident | 84.2 | Confident | 26 Ų | 26 | 36.8 Ų | 36.8 | 12% | 0.121 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 116.5 | 172.2 | -169.6 | 174.3 | -155.3 | 0 | 0 | 107.5 | Q502 Y519 R527 | E495-Q502 WeakPolarHBondContact O-CG 3.5Å; E495-Q502 PolarHBondContact O-NE2 3.35Å; E495-Y519 WeakPolarHBondContact CA-O 3.47Å; E495-Y519 HydrophobicContact CB-CE1 4.03Å; E495-Y519 HydrophobicContact CB-CE2 4.07Å; E495-Y519 HydrophobicContact CG-CE2 4.38Å; E495-Y519 VanDerWaalsContact N-CD1 3.28Å; E495-R527 IonicContact OE1-NH1 2.69Å; E495-R527 PolarHBondContact OE1-NH1 3.23Å; E495-R527 IonicContact OE2-CZ 3.73Å; E495-R527 IonicContact OE2-NH1 3.94Å; E495-R527 PolarHBondContact OE2-NH1 3.09Å |
| 496 | C | 87.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -145.2 | 123.3 | -176.3 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | V494 W500 P501 Q502 F516 A518 Y519 P521 | V494-C496 PolarHBondContact O-N 3.16Å; C496-W500 WeakPolarHBondContact CA-O 3.47Å; C496-P501 PolarHBondContact SG-O 3.44Å; C496-Q502 HydrophobicContact CB-CB 4.43Å; C496-Q502 HydrophobicContact CB-CG 4Å; C496-F516 HydrophobicContact CB-CE1 4.09Å; C496-F516 HydrophobicContact CB-CZ 4.28Å; C496-A518 HydrophobicContact CB-CB 3.68Å; C496-Y519 PolarHBondContact N-O 3.3Å; C496-Y519 VanDerWaalsContact N-O 3.07Å; C496-P521 WeakPolarHBondContact O-CA 3.35Å | ||
| 497 | H | 84.2 | Confident | 84.4 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 3% | 0.032 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -158.7 | 177.6 | 176.7 | 58.9 | 57.5 | 0 | 0 | 0 | 109.7 | Y499 W500 P501 T520 P521 P545 | H497-Y499 PolarHBondContact ND1-N 3.18Å; H497-Y499 PolarHBondContact O-N 2.97Å; H497-W500 VanDerWaalsContact CE1-CB 3.44Å; H497-W500 WeakPolarHBondContact CE1-CB 3.31Å; H497-W500 PolarHBondContact N-O 3.29Å; H497-W500 VanDerWaalsContact N-O 3.12Å; H497-W500 PolarHBondContact ND1-N 3.43Å; H497-W500 CarbonylContact O-C 3.56Å; H497-W500 WeakPolarHBondContact O-CA 3.15Å; H497-W500 PolarHBondContact O-N 3.07Å; H497-W500 VanDerWaalsContact O-O 3.13Å; H497-P501 WeakPolarHBondContact O-CA 3.5Å; H497-P501 VanDerWaalsContact O-N 3.14Å; H497-T520 PolarHBondContact CD2-O 3.02Å; H497-P521 WeakPolarHBondContact CB-O 3.26Å; H497-P545 HydrophobicContact CB-CG 4.49Å |
| 498 | I | 74.6 | Confident | 84.4 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -41 | -169.3 | -154.9 | 157.6 | 0 | 0 | 0 | 115.2 | W500 P545 V551 L566 W569 A606 | I498-W500 VanDerWaalsContact C-N 3.3Å; I498-W500 PolarHBondContact O-N 3.11Å; I498-P545 HydrophobicContact CG2-CB 3.98Å; I498-P545 HydrophobicContact CG2-CG 4.21Å; I498-V551 HydrophobicContact CD1-CG2 4.19Å; I498-L566 HydrophobicContact CB-CD2 3.99Å; I498-L566 HydrophobicContact CD1-CD2 4.11Å; I498-L566 HydrophobicContact CG2-CD2 3.92Å; I498-W569 HydrophobicContact CG1-CH2 4.35Å; I498-W569 HydrophobicContact CG1-CZ2 4.25Å; I498-A606 HydrophobicContact CD1-CB 3.53Å; I498-A606 WeakPolarHBondContact CD1-O 3.27Å |
| 499 | Y | 69.2 | Low | 84.1 | Confident | 48 Ų | 48 | 31.8 Ų | 31.8 | 19% | 0.188 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.5 | 174.3 | -52.2 | -51.1 | 0 | 0 | 0 | 115.1 | H497 Q543 P545 D548 P608 | H497-Y499 PolarHBondContact ND1-N 3.18Å; H497-Y499 PolarHBondContact O-N 2.97Å; Y499-Q543 WeakPolarHBondContact CD2-O 3.46Å; Y499-Q543 HydrophobicContact CE2-CB 3.97Å; Y499-Q543 WeakPolarHBondContact CE2-O 3.45Å; Y499-P545 HydrophobicContact CD2-CG 3.94Å; Y499-P545 HydrophobicContact CE2-CG 4.13Å; Y499-D548 VanDerWaalsContact OH-CB 3.3Å; Y499-D548 WeakPolarHBondContact OH-CB 3.43Å; Y499-D548 PolarHBondContact OH-OD2 3.26Å; Y499-P608 HydrophobicContact CD1-CG 4.26Å; Y499-P608 HydrophobicContact CE1-CG 4.31Å |
| 500 | W | 67.6 | Low | 83.6 | Confident | 147 Ų | 147 | 36.9 Ų | 36.9 | 56% | 0.557 | 17% | 0.167 | S | C | * | . | B | Isolated β-bridge | trans | -152.7 | 68.2 | 177.4 | -165.7 | -99.8 | 0 | 0 | 0 | 110.5 | C496 H497 I498 Q502 | C496-W500 WeakPolarHBondContact CA-O 3.47Å; H497-W500 VanDerWaalsContact CE1-CB 3.44Å; H497-W500 WeakPolarHBondContact CE1-CB 3.31Å; H497-W500 PolarHBondContact N-O 3.29Å; H497-W500 VanDerWaalsContact N-O 3.12Å; H497-W500 PolarHBondContact ND1-N 3.43Å; H497-W500 CarbonylContact O-C 3.56Å; H497-W500 WeakPolarHBondContact O-CA 3.15Å; H497-W500 PolarHBondContact O-N 3.07Å; H497-W500 VanDerWaalsContact O-O 3.13Å; I498-W500 VanDerWaalsContact C-N 3.3Å; I498-W500 PolarHBondContact O-N 3.11Å; W500-Q502 PolarHBondContact O-N 2.75Å |
| 501 | P | 75.9 | Confident | 82.8 | Confident | 28 Ų | 28 | 44 Ų | 44 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | trans | -88.5 | -2 | -160.6 | 34.4 | -38.1 | 0 | 0 | 0 | 115.6 | C496 H497 F503 W569 | C496-P501 PolarHBondContact SG-O 3.44Å; H497-P501 WeakPolarHBondContact O-CA 3.5Å; H497-P501 VanDerWaalsContact O-N 3.14Å; P501-F503 HydrophobicContact CB-CD1 4.22Å; P501-F503 HydrophobicContact CB-CD2 4.16Å; P501-F503 HydrophobicContact CB-CE1 3.78Å; P501-F503 HydrophobicContact CB-CE2 3.72Å; P501-F503 HydrophobicContact CB-CG 4.4Å; P501-F503 HydrophobicContact CB-CZ 3.51Å; P501-F503 HydrophobicContact CG-CD2 3.66Å; P501-F503 HydrophobicContact CG-CE1 4.27Å; P501-F503 HydrophobicContact CG-CE2 3.26Å; P501-F503 HydrophobicContact CG-CG 4.32Å; P501-F503 HydrophobicContact CG-CZ 3.62Å; P501-F503 PolarHBondContact O-N 2.92Å; P501-W569 HydrophobicContact CB-CH2 3.99Å; P501-W569 HydrophobicContact CB-CZ3 4.41Å | ||
| 502 | Q | 78.8 | Confident | 82.1 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | trans | 57 | 20.8 | 170.8 | -58.5 | -84 | 17.8 | 0 | 0 | 116.5 | V494 E495 C496 W500 E504 L505 H506 F516 | V494-Q502 HydrophobicContact CG2-CB 4.29Å; V494-Q502 HydrophobicContact CG2-CG 3.88Å; E495-Q502 WeakPolarHBondContact O-CG 3.5Å; E495-Q502 PolarHBondContact O-NE2 3.35Å; C496-Q502 HydrophobicContact CB-CB 4.43Å; C496-Q502 HydrophobicContact CB-CG 4Å; W500-Q502 PolarHBondContact O-N 2.75Å; Q502-E504 PolarHBondContact O-N 3.34Å; Q502-E504 VanDerWaalsContact O-N 3.15Å; Q502-L505 PolarHBondContact O-N 3.05Å; Q502-H506 PolarHBondContact O-N 2.99Å; Q502-F516 HydrophobicContact CB-CE2 4.42Å; Q502-F516 HydrophobicContact CB-CZ 3.79Å; Q502-F516 HydrophobicContact CG-CZ 4.45Å | ||
| 503 | F | 79.6 | Confident | 81.5 | Confident | 67 Ų | 67 | 50.6 Ų | 50.6 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -46.4 | -49.7 | -171.5 | -59.9 | -55.1 | 0 | 0 | 0 | 114.4 | P501 L505 H506 D507 W569 M607 | P501-F503 HydrophobicContact CB-CD1 4.22Å; P501-F503 HydrophobicContact CB-CD2 4.16Å; P501-F503 HydrophobicContact CB-CE1 3.78Å; P501-F503 HydrophobicContact CB-CE2 3.72Å; P501-F503 HydrophobicContact CB-CG 4.4Å; P501-F503 HydrophobicContact CB-CZ 3.51Å; P501-F503 HydrophobicContact CG-CD2 3.66Å; P501-F503 HydrophobicContact CG-CE1 4.27Å; P501-F503 HydrophobicContact CG-CE2 3.26Å; P501-F503 HydrophobicContact CG-CG 4.32Å; P501-F503 HydrophobicContact CG-CZ 3.62Å; P501-F503 PolarHBondContact O-N 2.92Å; F503-L505 PolarHBondContact O-N 3.23Å; F503-L505 VanDerWaalsContact O-N 3.16Å; F503-H506 WeakPolarHBondContact O-CB 3.22Å; F503-H506 PolarHBondContact O-N 2.78Å; F503-D507 PolarHBondContact O-N 3.5Å; F503-W569 HydrophobicContact CE1-CH2 4.12Å; F503-W569 AromaticContact CZ-CH2 3.92Å; F503-W569 HydrophobicContact CZ-CH2 3.92Å; F503-W569 HydrophobicContact CZ-CZ2 4.33Å; F503-M607 HydrophobicContact CE2-CE 3.99Å; F503-M607 HydrophobicContact CE2-SD 4.49Å; F503-M607 HydrophobicContact CZ-CE 4.13Å; F503-M607 HydrophobicContact CZ-SD 4.19Å |
| 504 | E | 71.5 | Confident | 81.2 | Confident | 152 Ų | 152 | 50.8 Ų | 50.8 | 71% | 0.71 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -54.1 | -37.7 | 178.8 | -167.7 | -162.9 | 155 | 0 | 0 | 113.4 | V475 Q502 F508 | V475-E504 HydrophobicContact CG2-CG 4.19Å; Q502-E504 PolarHBondContact O-N 3.34Å; Q502-E504 VanDerWaalsContact O-N 3.15Å; E504-F508 VanDerWaalsContact O-CB 3.27Å; E504-F508 WeakPolarHBondContact O-CB 3.4Å; E504-F508 PolarHBondContact O-N 3.11Å |
| 505 | L | 82 | Confident | 81.2 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -81.3 | -35 | 177.8 | 179.6 | 62.4 | 0 | 0 | 0 | 112.4 | F473 V475 V492 V494 Q502 F503 F508 C509 F516 | F473-L505 WeakPolarHBondContact O-CD2 3.39Å; V475-L505 HydrophobicContact CG2-CB 3.97Å; V475-L505 HydrophobicContact CG2-CD1 3.82Å; V492-L505 HydrophobicContact CG1-CD1 4.48Å; V492-L505 HydrophobicContact CG1-CD2 4.14Å; V492-L505 HydrophobicContact CG1-CG 4.47Å; V494-L505 HydrophobicContact CB-CD2 4.4Å; V494-L505 HydrophobicContact CG1-CD2 3.63Å; V494-L505 HydrophobicContact CG2-CD2 4.01Å; Q502-L505 PolarHBondContact O-N 3.05Å; F503-L505 PolarHBondContact O-N 3.23Å; F503-L505 VanDerWaalsContact O-N 3.16Å; L505-F508 HydrophobicContact CD1-CD1 4.35Å; L505-C509 VanDerWaalsContact O-CB 3.31Å; L505-C509 WeakPolarHBondContact O-CB 3.48Å; L505-C509 PolarHBondContact O-N 3.46Å; L505-C509 PolarHBondContact O-SG 2.93Å; L505-F516 HydrophobicContact CB-CE2 4.35Å; L505-F516 HydrophobicContact CD2-CE2 4.21Å; L505-F516 HydrophobicContact CG-CE2 4Å |
| 506 | H | 87.6 | Confident | 81.7 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 6% | 0.06 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -51.4 | 173.4 | 169.6 | -97.1 | 0 | 0 | 0 | 111.2 | Q502 F503 F508 C509 K510 F516 R573 M575 | Q502-H506 PolarHBondContact O-N 2.99Å; F503-H506 WeakPolarHBondContact O-CB 3.22Å; F503-H506 PolarHBondContact O-N 2.78Å; H506-F508 PolarHBondContact O-N 3.21Å; H506-C509 CarbonylContact O-C 3.49Å; H506-C509 WeakPolarHBondContact O-CA 3.09Å; H506-C509 WeakPolarHBondContact O-CB 3.48Å; H506-C509 PolarHBondContact O-N 3.4Å; H506-K510 PolarHBondContact O-N 2.92Å; H506-F516 HydrophobicContact CB-CD2 4.1Å; H506-F516 HydrophobicContact CB-CE1 4.49Å; H506-F516 HydrophobicContact CB-CE2 4.05Å; H506-F516 HydrophobicContact CB-CG 4.33Å; H506-F516 HydrophobicContact CB-CZ 4.25Å; H506-F516 AromaticContact CD2-CD1 3.94Å; H506-F516 AromaticContact CD2-CG 3.81Å; H506-R573 PolarHBondContact CE1-O 3.42Å; H506-R573 PolarHBondContact NE2-O 2.9Å; H506-R573 VanDerWaalsContact NE2-O 3.08Å; H506-M575 HydrophobicContact CB-CE 3.84Å; H506-M575 VanDerWaalsContact CG-CE 3.47Å |
| 507 | D | 82 | Confident | 82.1 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 43% | 0.428 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.8 | -40.5 | -174.5 | -57.7 | -22.2 | 0 | 0 | 0 | 110.1 | F503 C509 K510 E511 | F503-D507 PolarHBondContact O-N 3.5Å; D507-C509 PolarHBondContact O-N 2.84Å; D507-K510 PolarHBondContact O-N 2.67Å; D507-E511 WeakPolarHBondContact O-CG 3.46Å; D507-E511 PolarHBondContact O-N 3.38Å |
| 508 | F | 85 | Confident | 82.6 | Confident | 23 Ų | 23 | 50 Ų | 50 | 10% | 0.101 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58 | -41.9 | 168.6 | 175 | -95.5 | 0 | 0 | 0 | 113 | V475 T478 Q479 L482 E504 L505 H506 Q512 | V475-F508 HydrophobicContact CG1-CB 4.36Å; V475-F508 HydrophobicContact CG1-CD1 4.22Å; V475-F508 HydrophobicContact CG1-CD2 3.8Å; V475-F508 HydrophobicContact CG1-CE2 4.11Å; V475-F508 HydrophobicContact CG1-CG 3.85Å; V475-F508 HydrophobicContact CG1-CZ 4.45Å; V475-F508 HydrophobicContact CG2-CB 4.21Å; V475-F508 HydrophobicContact CG2-CG 4.38Å; T478-F508 HydrophobicContact CG2-CE1 3.77Å; Q479-F508 HydrophobicContact CB-CZ 4.11Å; L482-F508 HydrophobicContact CD1-CE1 4.2Å; L482-F508 HydrophobicContact CD1-CZ 3.93Å; E504-F508 VanDerWaalsContact O-CB 3.27Å; E504-F508 WeakPolarHBondContact O-CB 3.4Å; E504-F508 PolarHBondContact O-N 3.11Å; L505-F508 HydrophobicContact CD1-CD1 4.35Å; H506-F508 PolarHBondContact O-N 3.21Å; F508-Q512 HydrophobicContact CE1-CG 4.16Å; F508-Q512 HydrophobicContact CE2-CG 4.19Å; F508-Q512 HydrophobicContact CZ-CG 3.99Å; F508-Q512 WeakPolarHBondContact O-CB 3.41Å; F508-Q512 WeakPolarHBondContact O-CG 3.46Å; F508-Q512 PolarHBondContact O-N 3.13Å |
| 509 | C | 85.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 175.8 | -79.7 | 0 | 0 | 0 | 0 | 111.7 | L505 H506 D507 Q512 S513 I514 F516 | L505-C509 VanDerWaalsContact O-CB 3.31Å; L505-C509 WeakPolarHBondContact O-CB 3.48Å; L505-C509 PolarHBondContact O-N 3.46Å; L505-C509 PolarHBondContact O-SG 2.93Å; H506-C509 CarbonylContact O-C 3.49Å; H506-C509 WeakPolarHBondContact O-CA 3.09Å; H506-C509 WeakPolarHBondContact O-CB 3.48Å; H506-C509 PolarHBondContact O-N 3.4Å; D507-C509 PolarHBondContact O-N 2.84Å; C509-Q512 CarbonylContact O-C 3.56Å; C509-Q512 PolarHBondContact O-N 3.32Å; C509-Q512 VanDerWaalsContact O-N 3.17Å; C509-S513 PolarHBondContact O-N 3.41Å; C509-I514 CarbonylContact C-O 3.57Å; C509-I514 HydrophobicContact CB-CB 4.29Å; C509-I514 WeakPolarHBondContact CB-O 3.48Å; C509-I514 PolarHBondContact O-N 2.87Å; C509-F516 HydrophobicContact CB-CB 4.45Å; C509-F516 HydrophobicContact CB-CD2 4.3Å |
| 510 | K | 81.9 | Confident | 84.3 | Confident | 111 Ų | 111 | 51.1 Ų | 51.1 | 48% | 0.483 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 176.4 | -169.6 | 165.5 | -179.5 | 172 | 0 | 112 | H506 D507 Q512 S513 D574 | H506-K510 PolarHBondContact O-N 2.92Å; D507-K510 PolarHBondContact O-N 2.67Å; K510-Q512 PolarHBondContact O-N 3.21Å; K510-S513 PolarHBondContact O-N 3.35Å; K510-D574 IonicContact NZ-OD2 3.35Å; K510-D574 PolarHBondContact NZ-OD2 2.95Å |
| 511 | E | 78.1 | Confident | 85.3 | Confident | 155 Ų | 155 | 44.2 Ų | 44.2 | 72% | 0.724 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -54.7 | -35.6 | 170 | -75.5 | -176.7 | 173 | 0 | 0 | 112.5 | D507 | D507-E511 WeakPolarHBondContact O-CG 3.46Å; D507-E511 PolarHBondContact O-N 3.38Å |
| 512 | Q | 82.7 | Confident | 85.8 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -0.4 | 178.8 | -69.2 | -60.8 | -39.4 | 0 | 0 | 114.2 | L482 K488 F508 C509 K510 I514 | L482-Q512 HydrophobicContact CD1-CG 3.96Å; K488-Q512 WeakPolarHBondContact CE-O 3.15Å; K488-Q512 PolarHBondContact NZ-O 3.28Å; F508-Q512 HydrophobicContact CE1-CG 4.16Å; F508-Q512 HydrophobicContact CE2-CG 4.19Å; F508-Q512 HydrophobicContact CZ-CG 3.99Å; F508-Q512 WeakPolarHBondContact O-CB 3.41Å; F508-Q512 WeakPolarHBondContact O-CG 3.46Å; F508-Q512 PolarHBondContact O-N 3.13Å; C509-Q512 CarbonylContact O-C 3.56Å; C509-Q512 PolarHBondContact O-N 3.32Å; C509-Q512 VanDerWaalsContact O-N 3.17Å; K510-Q512 PolarHBondContact O-N 3.21Å; Q512-I514 HydrophobicContact CB-CD1 3.68Å; Q512-I514 HydrophobicContact CB-CG1 3.75Å; Q512-I514 PolarHBondContact O-N 3.42Å |
| 513 | S | 84 | Confident | 85.6 | Confident | 85 Ų | 85 | 42.3 Ų | 42.3 | 59% | 0.594 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 41.2 | -173.1 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | H300 C509 K510 | H300-S513 PolarHBondContact ND1-O 3.22Å; C509-S513 PolarHBondContact O-N 3.41Å; K510-S513 PolarHBondContact O-N 3.35Å |
| 514 | I | 91.6 | Very high | 85.2 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -112.1 | 124.9 | 175.1 | -55.5 | 177.3 | 0 | 0 | 0 | 106.9 | L482 P489 V492 C509 Q512 | L482-I514 HydrophobicContact CD1-CD1 4.16Å; L482-I514 HydrophobicContact CD2-CD1 4.07Å; P489-I514 WeakPolarHBondContact O-CG1 3.33Å; P489-I514 WeakPolarHBondContact O-CG2 3.34Å; V492-I514 HydrophobicContact CG2-CG2 3.95Å; C509-I514 CarbonylContact C-O 3.57Å; C509-I514 HydrophobicContact CB-CB 4.29Å; C509-I514 WeakPolarHBondContact CB-O 3.48Å; C509-I514 PolarHBondContact O-N 2.87Å; Q512-I514 HydrophobicContact CB-CD1 3.68Å; Q512-I514 HydrophobicContact CB-CG1 3.75Å; Q512-I514 PolarHBondContact O-N 3.42Å | ||
| 515 | S | 91.6 | Very high | 84.6 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 142 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 111 | L299 H490 N491 V492 | L299-S515 VanDerWaalsContact CD2-OG 3.27Å; L299-S515 WeakPolarHBondContact CD2-OG 3.3Å; H490-S515 PolarHBondContact O-N 3.28Å; N491-S515 CarbonylContact C-O 3.51Å; N491-S515 VanDerWaalsContact CA-O 3.23Å; N491-S515 WeakPolarHBondContact CA-O 3.44Å; N491-S515 PolarHBondContact ND2-O 3.08Å; V492-S515 PolarHBondContact N-O 3.3Å |
| 516 | F | 94.9 | Very high | 83.4 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.1 | -175 | -176.4 | -86 | 0 | 0 | 0 | 110.5 | V494 C496 Q502 L505 H506 C509 M575 I576 | V494-F516 HydrophobicContact CG2-CE1 4.18Å; V494-F516 HydrophobicContact CG2-CE2 3.54Å; V494-F516 HydrophobicContact CG2-CZ 3.27Å; C496-F516 HydrophobicContact CB-CE1 4.09Å; C496-F516 HydrophobicContact CB-CZ 4.28Å; Q502-F516 HydrophobicContact CB-CE2 4.42Å; Q502-F516 HydrophobicContact CB-CZ 3.79Å; Q502-F516 HydrophobicContact CG-CZ 4.45Å; L505-F516 HydrophobicContact CB-CE2 4.35Å; L505-F516 HydrophobicContact CD2-CE2 4.21Å; L505-F516 HydrophobicContact CG-CE2 4Å; H506-F516 HydrophobicContact CB-CD2 4.1Å; H506-F516 HydrophobicContact CB-CE1 4.49Å; H506-F516 HydrophobicContact CB-CE2 4.05Å; H506-F516 HydrophobicContact CB-CG 4.33Å; H506-F516 HydrophobicContact CB-CZ 4.25Å; H506-F516 AromaticContact CD2-CD1 3.94Å; H506-F516 AromaticContact CD2-CG 3.81Å; C509-F516 HydrophobicContact CB-CB 4.45Å; C509-F516 HydrophobicContact CB-CD2 4.3Å; F516-M575 HydrophobicContact CD1-CB 4.19Å; F516-M575 HydrophobicContact CD1-CG 3.84Å; F516-M575 HydrophobicContact CD1-SD 4.13Å; F516-M575 HydrophobicContact CE1-CE 4.38Å; F516-M575 HydrophobicContact CE1-CG 4.3Å; F516-M575 HydrophobicContact CE1-SD 3.97Å; F516-I576 PolarHBondContact O-N 2.68Å |
| 517 | T | 96.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 116.5 | -179.6 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | N491 V492 Q493 V494 I576 I578 | N491-T517 PolarHBondContact ND2-OG1 3.16Å; N491-T517 PolarHBondContact OD1-OG1 2.69Å; V492-T517 PolarHBondContact O-N 2.77Å; Q493-T517 WeakPolarHBondContact CA-O 3.17Å; Q493-T517 HydrophobicContact CG-CG2 3.9Å; V494-T517 PolarHBondContact N-O 3.36Å; T517-I576 CarbonylContact C-O 2.94Å; T517-I576 WeakPolarHBondContact CA-O 3.3Å; T517-I576 HydrophobicContact CG2-CB 4.19Å; T517-I576 HydrophobicContact CG2-CG2 4.08Å; T517-I578 HydrophobicContact CG2-CD1 4.19Å; T517-I578 HydrophobicContact CG2-CG1 4.15Å; T517-I578 HydrophobicContact CG2-CG2 4.11Å |
| 518 | A | 94 | Very high | 80.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 108.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | C496 L570 I576 I578 | C496-A518 HydrophobicContact CB-CB 3.68Å; A518-L570 HydrophobicContact CB-CD1 4.06Å; A518-I576 PolarHBondContact N-O 3.17Å; A518-I578 PolarHBondContact O-N 3.06Å; A518-I578 VanDerWaalsContact O-N 3.1Å |
| 519 | Y | 91.8 | Very high | 79 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 154.1 | 170.1 | 90 | -101.4 | 0 | 0 | 0 | 111.9 | N472 Q493 V494 E495 C496 P521 | N472-Y519 WeakPolarHBondContact OD1-CE1 3.04Å; N472-Y519 PolarHBondContact OD1-OH 3.25Å; Q493-Y519 HydrophobicContact CG-CD1 3.99Å; V494-Y519 VanDerWaalsContact O-CD1 3.26Å; V494-Y519 WeakPolarHBondContact O-CD1 3.42Å; V494-Y519 PolarHBondContact O-N 3.04Å; E495-Y519 WeakPolarHBondContact CA-O 3.47Å; E495-Y519 HydrophobicContact CB-CE1 4.03Å; E495-Y519 HydrophobicContact CB-CE2 4.07Å; E495-Y519 HydrophobicContact CG-CE2 4.38Å; E495-Y519 VanDerWaalsContact N-CD1 3.28Å; C496-Y519 PolarHBondContact N-O 3.3Å; C496-Y519 VanDerWaalsContact N-O 3.07Å; Y519-P521 VanDerWaalsContact C-CD 3.48Å |
| 520 | T | 86.7 | Confident | 77.3 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 54.2 | 45.1 | -168.3 | -39.2 | 0 | 0 | 0 | 0 | 114 | H497 L522 G523 N524 | H497-T520 PolarHBondContact CD2-O 3.02Å; T520-L522 PolarHBondContact O-N 2.86Å; T520-G523 WeakPolarHBondContact CG2-O 3.39Å; T520-G523 PolarHBondContact O-N 3.49Å; T520-N524 HydrophobicContact CG2-CB 3.84Å |
| 521 | P | 89.5 | Confident | 75.5 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.3 | -174.9 | 26.2 | -36.3 | 0 | 0 | 0 | 114.9 | C496 H497 Y519 L567 L570 P579 | C496-P521 WeakPolarHBondContact O-CA 3.35Å; H497-P521 WeakPolarHBondContact CB-O 3.26Å; Y519-P521 VanDerWaalsContact C-CD 3.48Å; P521-L567 HydrophobicContact CB-CD2 3.78Å; P521-L567 HydrophobicContact CG-CD2 3.54Å; P521-L570 HydrophobicContact CB-CD1 3.42Å; P521-L570 VanDerWaalsContact CB-CD1 3.42Å; P521-P579 HydrophobicContact CG-CB 4.3Å |
| 522 | L | 87.5 | Confident | 73.9 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 15% | 0.147 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 5.9 | 179.7 | -54.3 | -179.1 | 0 | 0 | 0 | 113.7 | T520 P545 L546 A563 L566 L567 | T520-L522 PolarHBondContact O-N 2.86Å; L522-P545 WeakPolarHBondContact O-CD 3.3Å; L522-L546 HydrophobicContact CB-CD1 4.35Å; L522-L546 HydrophobicContact CB-CD2 4.46Å; L522-L546 HydrophobicContact CB-CG 4.31Å; L522-L546 HydrophobicContact CD1-CD2 4.4Å; L522-L546 HydrophobicContact CD2-CD2 4.11Å; L522-A563 HydrophobicContact CD1-CB 3.97Å; L522-A563 HydrophobicContact CD2-CB 4.03Å; L522-L566 HydrophobicContact CD2-CB 3.8Å; L522-L566 HydrophobicContact CD2-CD1 3.81Å; L522-L566 HydrophobicContact CD2-CG 4.49Å; L522-L567 HydrophobicContact CD2-CG 4.18Å |
| 523 | G | 74.5 | Confident | 72.3 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | trans | 79.3 | 171.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T520 | T520-G523 WeakPolarHBondContact CG2-O 3.39Å; T520-G523 PolarHBondContact O-N 3.49Å | ||
| 524 | N | 71.4 | Confident | 70.1 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | trans | -124.9 | 91.3 | -174.1 | -171.9 | -29.5 | 0 | 0 | 0 | 112.2 | T520 G526 R527 H528 | T520-N524 HydrophobicContact CG2-CB 3.84Å; N524-G526 VanDerWaalsContact C-N 3.26Å; N524-G526 PolarHBondContact O-N 2.99Å; N524-G526 PolarHBondContact OD1-N 2.72Å; N524-R527 HydrophobicContact CB-CB 4Å; N524-R527 PolarHBondContact O-N 2.75Å; N524-R527 PolarHBondContact OD1-N 3.14Å; N524-H528 PolarHBondContact O-CD2 3.4Å; N524-H528 PolarHBondContact O-N 3.06Å | ||
| 525 | P | 58.8 | Low | 67.7 | Low | 66 Ų | 66 | 43.6 Ų | 43.6 | 43% | 0.429 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -53.4 | -41.4 | -179.6 | -27.2 | 34.2 | 0 | 0 | 0 | 113.2 | R527 H528 A529 E544 | P525-R527 PolarHBondContact O-N 3.01Å; P525-H528 PolarHBondContact O-N 3.09Å; P525-A529 VanDerWaalsContact O-CB 3.32Å; P525-A529 WeakPolarHBondContact O-CB 3.31Å; P525-A529 PolarHBondContact O-N 3.23Å; P525-E544 HydrophobicContact CB-CG 4.4Å; P525-E544 HydrophobicContact CG-CG 4.12Å |
| 526 | G | 56.6 | Low | 65 | Low | 18 Ų | 18 | 44.5 Ų | 44.5 | 19% | 0.186 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.9 | -16.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N524 R530 | N524-G526 VanDerWaalsContact C-N 3.26Å; N524-G526 PolarHBondContact O-N 2.99Å; N524-G526 PolarHBondContact OD1-N 2.72Å; G526-R530 PolarHBondContact O-NE 2.86Å; G526-R530 PolarHBondContact O-NH2 3.24Å |
| 527 | R | 55.8 | Low | 62.3 | Low | 68 Ų | 68 | 48.5 Ų | 48.5 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -93.2 | -42.1 | 170.1 | -164.5 | -180 | -175.2 | -169.1 | 1.7 | 111 | E495 N524 P525 A529 R530 L531 | E495-R527 IonicContact OE1-NH1 2.69Å; E495-R527 PolarHBondContact OE1-NH1 3.23Å; E495-R527 IonicContact OE2-CZ 3.73Å; E495-R527 IonicContact OE2-NH1 3.94Å; E495-R527 PolarHBondContact OE2-NH1 3.09Å; N524-R527 HydrophobicContact CB-CB 4Å; N524-R527 PolarHBondContact O-N 2.75Å; N524-R527 PolarHBondContact OD1-N 3.14Å; P525-R527 PolarHBondContact O-N 3.01Å; R527-A529 VanDerWaalsContact C-N 3.28Å; R527-A529 PolarHBondContact O-N 2.84Å; R527-R530 PolarHBondContact O-N 2.92Å; R527-R530 VanDerWaalsContact O-N 3.14Å; R527-L531 HydrophobicContact CG-CD1 3.93Å; R527-L531 VanDerWaalsContact O-CD1 3.3Å; R527-L531 WeakPolarHBondContact O-CD1 3.33Å; R527-L531 PolarHBondContact O-N 3.05Å |
| 528 | H | 53 | Low | 59.4 | Low | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 176.1 | -69.8 | -147.5 | 0 | 0 | 0 | 111.9 | N524 P525 R532 L542 Q543 | N524-H528 PolarHBondContact O-CD2 3.4Å; N524-H528 PolarHBondContact O-N 3.06Å; P525-H528 PolarHBondContact O-N 3.09Å; H528-R532 WeakPolarHBondContact O-CB 3.31Å; H528-R532 WeakPolarHBondContact O-CG 3.42Å; H528-R532 PolarHBondContact O-N 3.12Å; H528-R532 VanDerWaalsContact O-N 3.12Å; H528-R532 PolarHBondContact O-NE 2.86Å; H528-R532 VanDerWaalsContact O-NE 3.1Å; H528-L542 PolarHBondContact ND1-O 3.23Å; H528-Q543 PolarHBondContact CE1-O 3.04Å; H528-Q543 PolarHBondContact ND1-O 3.08Å |
| 529 | A | 52.4 | Low | 56.7 | Low | 51 Ų | 51 | 57.9 Ų | 57.9 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P525 R527 R532 A533 | P525-A529 VanDerWaalsContact O-CB 3.32Å; P525-A529 WeakPolarHBondContact O-CB 3.31Å; P525-A529 PolarHBondContact O-N 3.23Å; R527-A529 VanDerWaalsContact C-N 3.28Å; R527-A529 PolarHBondContact O-N 2.84Å; A529-R532 PolarHBondContact O-N 3.23Å; A529-A533 WeakPolarHBondContact O-CB 3.48Å; A529-A533 PolarHBondContact O-N 2.91Å |
| 530 | R | 49.1 | Very low | 54.2 | Low | 101 Ų | 101 | 59.9 Ų | 59.9 | 38% | 0.381 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 177.5 | -83.9 | -178.2 | -79.4 | -179.4 | -8.2 | 112.8 | G526 R527 A533 R534 | G526-R530 PolarHBondContact O-NE 2.86Å; G526-R530 PolarHBondContact O-NH2 3.24Å; R527-R530 PolarHBondContact O-N 2.92Å; R527-R530 VanDerWaalsContact O-N 3.14Å; R530-A533 PolarHBondContact O-N 2.95Å; R530-R534 WeakPolarHBondContact O-CB 3.35Å; R530-R534 PolarHBondContact O-N 3.16Å |
| 531 | L | 44.1 | Very low | 52 | Low | 26 Ų | 26 | 64.8 Ų | 64.8 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 172.2 | -91.2 | 80.7 | 0 | 0 | 0 | 111.4 | L434 R527 A533 R534 I535 L542 | L434-L531 HydrophobicContact CD1-CD1 3.94Å; L434-L531 HydrophobicContact CD1-CG 4.15Å; R527-L531 HydrophobicContact CG-CD1 3.93Å; R527-L531 VanDerWaalsContact O-CD1 3.3Å; R527-L531 WeakPolarHBondContact O-CD1 3.33Å; R527-L531 PolarHBondContact O-N 3.05Å; L531-A533 VanDerWaalsContact C-N 3.27Å; L531-A533 PolarHBondContact O-N 3.28Å; L531-R534 PolarHBondContact O-N 2.86Å; L531-R534 VanDerWaalsContact O-N 3.15Å; L531-I535 HydrophobicContact CB-CD1 4.05Å; L531-I535 HydrophobicContact CD2-CD1 3.99Å; L531-I535 HydrophobicContact CG-CD1 3.91Å; L531-I535 WeakPolarHBondContact O-CB 3.03Å; L531-I535 WeakPolarHBondContact O-CG1 3.5Å; L531-I535 PolarHBondContact O-N 3.48Å; L531-L542 HydrophobicContact CD2-CD1 3.71Å |
| 532 | R | 45.7 | Very low | 49.9 | Very low | 99 Ų | 99 | 66.2 Ų | 66.2 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.7 | -38 | 178 | -76.5 | 179.5 | -79.3 | -174.6 | -4.6 | 112.5 | H528 A529 G536 E544 | H528-R532 WeakPolarHBondContact O-CB 3.31Å; H528-R532 WeakPolarHBondContact O-CG 3.42Å; H528-R532 PolarHBondContact O-N 3.12Å; H528-R532 VanDerWaalsContact O-N 3.12Å; H528-R532 PolarHBondContact O-NE 2.86Å; H528-R532 VanDerWaalsContact O-NE 3.1Å; A529-R532 PolarHBondContact O-N 3.23Å; R532-G536 CarbonylContact O-C 3.47Å; R532-G536 VanDerWaalsContact O-C 3.32Å; R532-G536 WeakPolarHBondContact O-CA 3.47Å; R532-G536 PolarHBondContact O-N 3.05Å; R532-E544 IonicContact NH2-OE1 2.8Å; R532-E544 PolarHBondContact NH2-OE1 2.92Å |
| 533 | A | 48.1 | Very low | 48.2 | Very low | 88 Ų | 88 | 68 Ų | 68 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -72.1 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A529 R530 L531 | A529-A533 WeakPolarHBondContact O-CB 3.48Å; A529-A533 PolarHBondContact O-N 2.91Å; R530-A533 PolarHBondContact O-N 2.95Å; L531-A533 VanDerWaalsContact C-N 3.27Å; L531-A533 PolarHBondContact O-N 3.28Å |
| 534 | R | 39.1 | Very low | 47.8 | Very low | 145 Ų | 145 | 69.7 Ų | 69.7 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -94.3 | -26 | -173.5 | -158.3 | 172.7 | -176.6 | -159.3 | -6.5 | 114.1 | D432 E435 R530 L531 | D432-R534 IonicContact OD2-CZ 3.69Å; D432-R534 IonicContact OD2-NH1 2.75Å; D432-R534 PolarHBondContact OD2-NH1 2.86Å; E435-R534 IonicContact OE1-CZ 2.73Å; E435-R534 IonicContact OE1-NH1 2.79Å; E435-R534 PolarHBondContact OE1-NH1 3.36Å; E435-R534 IonicContact OE1-NH2 3.25Å; E435-R534 PolarHBondContact OE1-NH2 3.43Å; R530-R534 WeakPolarHBondContact O-CB 3.35Å; R530-R534 PolarHBondContact O-N 3.16Å; L531-R534 PolarHBondContact O-N 2.86Å; L531-R534 VanDerWaalsContact O-N 3.15Å |
| 535 | I | 41.1 | Very low | 48 | Very low | 87 Ų | 87 | 68.9 Ų | 68.9 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -102 | -11.9 | 179.5 | -44.7 | 168.5 | 0 | 0 | 0 | 111.4 | L531 V539 | L531-I535 HydrophobicContact CB-CD1 4.05Å; L531-I535 HydrophobicContact CD2-CD1 3.99Å; L531-I535 HydrophobicContact CG-CD1 3.91Å; L531-I535 WeakPolarHBondContact O-CB 3.03Å; L531-I535 WeakPolarHBondContact O-CG1 3.5Å; L531-I535 PolarHBondContact O-N 3.48Å; I535-V539 HydrophobicContact CG2-CB 4.05Å; I535-V539 HydrophobicContact CG2-CG1 4.32Å; I535-V539 HydrophobicContact CG2-CG2 4.41Å |
| 536 | G | 33.5 | Very low | 49 | Very low | 34 Ų | 34 | 69 Ų | 69 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | trans | 86.7 | 154.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | R532 N538 | R532-G536 CarbonylContact O-C 3.47Å; R532-G536 VanDerWaalsContact O-C 3.32Å; R532-G536 WeakPolarHBondContact O-CA 3.47Å; R532-G536 PolarHBondContact O-N 3.05Å; G536-N538 PolarHBondContact O-N 3.13Å | ||
| 537 | A | 38.3 | Very low | 49.9 | Very low | 88 Ų | 88 | 71.8 Ų | 71.8 | 73% | 0.727 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 538 | N | 36.8 | Very low | 50.7 | Low | 132 Ų | 132 | 69.5 Ų | 69.5 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5.5 | -169.6 | -64.9 | -1.1 | 0 | 0 | 0 | 114.2 | G536 R777 | G536-N538 PolarHBondContact O-N 3.13Å; N538-R777 PolarHBondContact O-NH2 3.25Å |
| 539 | V | 36.3 | Very low | 51.6 | Low | 66 Ų | 66 | 74.2 Ų | 74.2 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -125.6 | 138.6 | 176.7 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | I535 | I535-V539 HydrophobicContact CG2-CB 4.05Å; I535-V539 HydrophobicContact CG2-CG1 4.32Å; I535-V539 HydrophobicContact CG2-CG2 4.41Å |
| 540 | M | 39.8 | Very low | 52.4 | Low | 93 Ų | 93 | 72.9 Ų | 72.9 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | trans | 66 | 110.9 | -171.4 | -66.1 | -71.5 | -170.5 | 0 | 0 | 116.1 | L542 | M540-L542 HydrophobicContact CB-CB 4.18Å; M540-L542 HydrophobicContact CB-CD1 3.85Å; M540-L542 HydrophobicContact CB-CG 3.88Å; M540-L542 HydrophobicContact CG-CD1 3.94Å; M540-L542 HydrophobicContact CG-CG 4.29Å; M540-L542 PolarHBondContact O-N 2.83Å; M540-L542 HydrophobicContact SD-CD1 4.31Å; M540-L542 HydrophobicContact SD-CG 4.33Å | ||
| 541 | R | 41.8 | Very low | 53.8 | Low | 130 Ų | 130 | 68 Ų | 68 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | trans | -71.8 | 59.5 | 152.5 | -77.4 | -176.2 | 161.2 | -126.9 | -22 | 110.3 | Q543 E678 D679 | R541-Q543 PolarHBondContact O-N 3.3Å; R541-E678 PolarHBondContact NE-O 3.5Å; R541-E678 PolarHBondContact NH2-O 3.15Å; R541-E678 VanDerWaalsContact NH2-O 3.09Å; R541-D679 IonicContact CZ-OD1 3.88Å; R541-D679 IonicContact NH1-OD1 3.11Å; R541-D679 PolarHBondContact NH1-OD1 2.76Å; R541-D679 VanDerWaalsContact NH2-CA 3.32Å; R541-D679 VanDerWaalsContact NH2-N 3.2Å; R541-D679 IonicContact NH2-OD1 2.81Å; R541-D679 PolarHBondContact NH2-OD1 2.8Å; R541-D679 IonicContact NH2-OD2 2.97Å; R541-D679 PolarHBondContact NH2-OD2 2.58Å | ||
| 542 | L | 43.6 | Very low | 55.5 | Low | 31 Ų | 31 | 69.8 Ų | 69.8 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | trans | -77.9 | 62.1 | 169.9 | -87.3 | 167.9 | 0 | 0 | 0 | 109.7 | H528 L531 M540 | H528-L542 PolarHBondContact ND1-O 3.23Å; L531-L542 HydrophobicContact CD2-CD1 3.71Å; M540-L542 HydrophobicContact CB-CB 4.18Å; M540-L542 HydrophobicContact CB-CD1 3.85Å; M540-L542 HydrophobicContact CB-CG 3.88Å; M540-L542 HydrophobicContact CG-CD1 3.94Å; M540-L542 HydrophobicContact CG-CG 4.29Å; M540-L542 PolarHBondContact O-N 2.83Å; M540-L542 HydrophobicContact SD-CD1 4.31Å; M540-L542 HydrophobicContact SD-CG 4.33Å | ||
| 543 | Q | 52.5 | Low | 57.1 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | trans | -57.3 | 150.9 | 165.1 | -168.7 | 154.4 | -14.2 | 0 | 0 | 108.1 | Y499 H528 R541 N547 | Y499-Q543 WeakPolarHBondContact CD2-O 3.46Å; Y499-Q543 HydrophobicContact CE2-CB 3.97Å; Y499-Q543 WeakPolarHBondContact CE2-O 3.45Å; H528-Q543 PolarHBondContact CE1-O 3.04Å; H528-Q543 PolarHBondContact ND1-O 3.08Å; R541-Q543 PolarHBondContact O-N 3.3Å; Q543-N547 PolarHBondContact NE2-O 3.36Å | ||
| 544 | E | 66.6 | Low | 58.7 | Low | 48 Ų | 48 | 65.9 Ų | 65.9 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | trans | -84.1 | 131.6 | 175.9 | -74.5 | 147.9 | -147 | 0 | 0 | 107.4 | P525 R532 L546 N547 | P525-E544 HydrophobicContact CB-CG 4.4Å; P525-E544 HydrophobicContact CG-CG 4.12Å; R532-E544 IonicContact NH2-OE1 2.8Å; R532-E544 PolarHBondContact NH2-OE1 2.92Å; E544-L546 PolarHBondContact O-N 3.48Å; E544-L546 VanDerWaalsContact O-N 3.08Å; E544-N547 WeakPolarHBondContact O-CA 3.19Å; E544-N547 WeakPolarHBondContact O-CB 3.37Å; E544-N547 PolarHBondContact O-N 2.97Å | ||
| 545 | P | 75.5 | Confident | 60.8 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -50.6 | -36.9 | -175.5 | -33.1 | 37.2 | 0 | 0 | 0 | 114.7 | H497 I498 Y499 L522 N547 D548 L566 | H497-P545 HydrophobicContact CB-CG 4.49Å; I498-P545 HydrophobicContact CG2-CB 3.98Å; I498-P545 HydrophobicContact CG2-CG 4.21Å; Y499-P545 HydrophobicContact CD2-CG 3.94Å; Y499-P545 HydrophobicContact CE2-CG 4.13Å; L522-P545 WeakPolarHBondContact O-CD 3.3Å; P545-N547 PolarHBondContact O-N 3.04Å; P545-D548 PolarHBondContact O-N 3.19Å; P545-L566 HydrophobicContact CB-CD1 3.55Å; P545-L566 HydrophobicContact CB-CD2 3.86Å; P545-L566 HydrophobicContact CB-CG 4.37Å |
| 546 | L | 80.2 | Confident | 62.6 | Low | 69 Ų | 69 | 58.8 Ų | 58.8 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -62.9 | -18 | 175.4 | -65.1 | 170.7 | 0 | 0 | 0 | 114.3 | L522 E544 P562 A563 L566 | L522-L546 HydrophobicContact CB-CD1 4.35Å; L522-L546 HydrophobicContact CB-CD2 4.46Å; L522-L546 HydrophobicContact CB-CG 4.31Å; L522-L546 HydrophobicContact CD1-CD2 4.4Å; L522-L546 HydrophobicContact CD2-CD2 4.11Å; E544-L546 PolarHBondContact O-N 3.48Å; E544-L546 VanDerWaalsContact O-N 3.08Å; L546-P562 HydrophobicContact CD2-CB 4.41Å; L546-A563 HydrophobicContact CD2-CB 3.68Å; L546-L566 HydrophobicContact CD2-CD1 4.02Å; L546-L566 HydrophobicContact CG-CD1 4.44Å |
| 547 | N | 74.3 | Confident | 64.9 | Low | 77 Ų | 77 | 64.2 Ų | 64.2 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -107.2 | 8.2 | -178.4 | -75.7 | -54.3 | 0 | 0 | 0 | 112.8 | Q543 E544 P545 | Q543-N547 PolarHBondContact NE2-O 3.36Å; E544-N547 WeakPolarHBondContact O-CA 3.19Å; E544-N547 WeakPolarHBondContact O-CB 3.37Å; E544-N547 PolarHBondContact O-N 2.97Å; P545-N547 PolarHBondContact O-N 3.04Å |
| 548 | D | 73.9 | Confident | 67.2 | Low | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | trans | -71.4 | 130.6 | 170 | -164.7 | -73.3 | 0 | 0 | 0 | 110.4 | Y499 P545 S550 V551 K552 | Y499-D548 VanDerWaalsContact OH-CB 3.3Å; Y499-D548 WeakPolarHBondContact OH-CB 3.43Å; Y499-D548 PolarHBondContact OH-OD2 3.26Å; P545-D548 PolarHBondContact O-N 3.19Å; D548-S550 WeakPolarHBondContact OD1-CB 3.31Å; D548-S550 PolarHBondContact OD1-N 3.37Å; D548-S550 PolarHBondContact OD1-OG 3.44Å; D548-V551 HydrophobicContact CB-CB 4.06Å; D548-V551 HydrophobicContact CB-CG2 3.77Å; D548-V551 PolarHBondContact O-N 2.82Å; D548-K552 WeakPolarHBondContact O-CG 3.43Å; D548-K552 PolarHBondContact O-N 2.94Å; D548-K552 VanDerWaalsContact O-N 3.15Å | ||
| 549 | E | 71.4 | Confident | 69.5 | Low | 109 Ų | 109 | 59.7 Ų | 59.7 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.5 | -33.4 | -177.6 | -52.5 | -53.4 | 143.8 | 0 | 0 | 112.1 | V551 K552 D553 | E549-V551 VanDerWaalsContact C-N 3.31Å; E549-V551 PolarHBondContact O-N 3.32Å; E549-K552 WeakPolarHBondContact O-CB 3.4Å; E549-K552 PolarHBondContact O-N 2.79Å; E549-K552 VanDerWaalsContact O-N 3.13Å; E549-K552 IonicContact OE1-NZ 3.32Å; E549-K552 PolarHBondContact OE1-NZ 2.85Å; E549-K552 WeakPolarHBondContact OE2-CD 3.49Å; E549-K552 WeakPolarHBondContact OE2-CE 3.47Å; E549-K552 IonicContact OE2-NZ 2.8Å; E549-K552 PolarHBondContact OE2-NZ 2.97Å; E549-D553 PolarHBondContact O-N 2.9Å |
| 550 | S | 68.7 | Low | 72.1 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -36 | 177 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | D548 D553 I554 | D548-S550 WeakPolarHBondContact OD1-CB 3.31Å; D548-S550 PolarHBondContact OD1-N 3.37Å; D548-S550 PolarHBondContact OD1-OG 3.44Å; S550-D553 PolarHBondContact O-N 2.88Å; S550-I554 VanDerWaalsContact O-CG1 3.29Å; S550-I554 WeakPolarHBondContact O-CG1 3.3Å; S550-I554 PolarHBondContact O-N 3.05Å; S550-I554 VanDerWaalsContact O-N 3.07Å |
| 551 | V | 78.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 174 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | I498 D548 E549 A555 P562 I565 L566 A606 | I498-V551 HydrophobicContact CD1-CG2 4.19Å; D548-V551 HydrophobicContact CB-CB 4.06Å; D548-V551 HydrophobicContact CB-CG2 3.77Å; D548-V551 PolarHBondContact O-N 2.82Å; E549-V551 VanDerWaalsContact C-N 3.31Å; E549-V551 PolarHBondContact O-N 3.32Å; V551-A555 WeakPolarHBondContact O-CB 3.39Å; V551-A555 PolarHBondContact O-N 3.39Å; V551-P562 HydrophobicContact CG1-CB 3.91Å; V551-I565 HydrophobicContact CG1-CB 4.11Å; V551-I565 HydrophobicContact CG1-CG2 4.19Å; V551-L566 HydrophobicContact CG1-CD1 4.3Å; V551-L566 HydrophobicContact CG1-CD2 4.24Å; V551-L566 HydrophobicContact CG1-CG 3.85Å; V551-L566 HydrophobicContact CG2-CD2 4.12Å; V551-A606 HydrophobicContact CG2-CB 4.4Å |
| 552 | K | 80.6 | Confident | 76.8 | Confident | 62 Ų | 62 | 50.4 Ų | 50.4 | 27% | 0.27 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 173.6 | -67.1 | 174.8 | -147.9 | 164.3 | 0 | 112.8 | D548 E549 A555 A556 P562 | D548-K552 WeakPolarHBondContact O-CG 3.43Å; D548-K552 PolarHBondContact O-N 2.94Å; D548-K552 VanDerWaalsContact O-N 3.15Å; E549-K552 WeakPolarHBondContact O-CB 3.4Å; E549-K552 PolarHBondContact O-N 2.79Å; E549-K552 VanDerWaalsContact O-N 3.13Å; E549-K552 IonicContact OE1-NZ 3.32Å; E549-K552 PolarHBondContact OE1-NZ 2.85Å; E549-K552 WeakPolarHBondContact OE2-CD 3.49Å; E549-K552 WeakPolarHBondContact OE2-CE 3.47Å; E549-K552 IonicContact OE2-NZ 2.8Å; E549-K552 PolarHBondContact OE2-NZ 2.97Å; K552-A555 WeakPolarHBondContact O-CB 3.45Å; K552-A555 PolarHBondContact O-N 2.87Å; K552-A556 WeakPolarHBondContact O-CB 3.44Å; K552-A556 PolarHBondContact O-N 3.25Å; K552-P562 HydrophobicContact CG-CG 3.94Å |
| 553 | D | 78.9 | Confident | 79 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 176.7 | -72.9 | -25.2 | 0 | 0 | 0 | 111.1 | E549 S550 A555 A556 K557 | E549-D553 PolarHBondContact O-N 2.9Å; S550-D553 PolarHBondContact O-N 2.88Å; D553-A555 VanDerWaalsContact C-N 3.33Å; D553-A555 PolarHBondContact O-N 2.82Å; D553-A556 PolarHBondContact O-N 3.02Å; D553-K557 WeakPolarHBondContact O-CB 3.31Å; D553-K557 PolarHBondContact O-N 2.92Å |
| 554 | I | 81 | Confident | 81 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 174.4 | -62.4 | 167 | 0 | 0 | 0 | 110.4 | S550 K557 H558 I565 L598 E602 Y605 A606 | S550-I554 VanDerWaalsContact O-CG1 3.29Å; S550-I554 WeakPolarHBondContact O-CG1 3.3Å; S550-I554 PolarHBondContact O-N 3.05Å; S550-I554 VanDerWaalsContact O-N 3.07Å; I554-K557 PolarHBondContact O-N 3.07Å; I554-H558 PolarHBondContact O-CD2 3.1Å; I554-H558 PolarHBondContact O-N 2.96Å; I554-I565 HydrophobicContact CB-CG2 4.15Å; I554-I565 HydrophobicContact CG2-CD1 4.03Å; I554-I565 HydrophobicContact CG2-CG1 4.21Å; I554-I565 HydrophobicContact CG2-CG2 3.69Å; I554-L598 HydrophobicContact CG2-CD2 3.81Å; I554-E602 HydrophobicContact CD1-CB 4.16Å; I554-E602 HydrophobicContact CD1-CG 4.39Å; I554-E602 HydrophobicContact CG1-CB 4.5Å; I554-E602 HydrophobicContact CG1-CG 4.23Å; I554-E602 HydrophobicContact CG2-CB 4.3Å; I554-E602 HydrophobicContact CG2-CG 4.21Å; I554-Y605 HydrophobicContact CD1-CD1 4.21Å; I554-A606 HydrophobicContact CD1-CB 3.96Å |
| 555 | A | 82.5 | Confident | 82.2 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V551 K552 D553 K557 H558 G559 K560 P562 I565 | V551-A555 WeakPolarHBondContact O-CB 3.39Å; V551-A555 PolarHBondContact O-N 3.39Å; K552-A555 WeakPolarHBondContact O-CB 3.45Å; K552-A555 PolarHBondContact O-N 2.87Å; D553-A555 VanDerWaalsContact C-N 3.33Å; D553-A555 PolarHBondContact O-N 2.82Å; A555-K557 PolarHBondContact O-N 3.14Å; A555-H558 PolarHBondContact O-N 3.46Å; A555-G559 PolarHBondContact O-N 2.81Å; A555-K560 CarbonylContact C-O 3.49Å; A555-K560 WeakPolarHBondContact CB-O 3.49Å; A555-K560 PolarHBondContact O-N 3.45Å; A555-P562 HydrophobicContact CB-CG 4.14Å; A555-I565 HydrophobicContact CB-CD1 4.47Å; A555-I565 HydrophobicContact CB-CG1 3.65Å |
| 556 | A | 79.3 | Confident | 83 | Confident | 80 Ų | 80 | 44.7 Ų | 44.7 | 66% | 0.661 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K552 D553 H558 G559 | K552-A556 WeakPolarHBondContact O-CB 3.44Å; K552-A556 PolarHBondContact O-N 3.25Å; D553-A556 PolarHBondContact O-N 3.02Å; A556-H558 PolarHBondContact O-N 3.49Å; A556-G559 PolarHBondContact O-N 3.47Å |
| 557 | K | 83.2 | Confident | 83.6 | Confident | 149 Ų | 149 | 41.4 Ų | 41.4 | 65% | 0.648 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.1 | -38.3 | 177.6 | -177 | -178.1 | 168.1 | -157.7 | 0 | 113.1 | D553 I554 A555 E602 | D553-K557 WeakPolarHBondContact O-CB 3.31Å; D553-K557 PolarHBondContact O-N 2.92Å; I554-K557 PolarHBondContact O-N 3.07Å; A555-K557 PolarHBondContact O-N 3.14Å; K557-E602 VanDerWaalsContact CD-OE1 3.3Å; K557-E602 WeakPolarHBondContact CD-OE1 3.34Å; K557-E602 VanDerWaalsContact CE-OE1 3.27Å; K557-E602 WeakPolarHBondContact CE-OE1 3.41Å; K557-E602 IonicContact NZ-OE1 2.8Å; K557-E602 PolarHBondContact NZ-OE1 3.5Å |
| 558 | H | 85.2 | Confident | 84.5 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 26% | 0.255 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -87.5 | -7.7 | 177.2 | -79.2 | -82.2 | 0 | 0 | 0 | 114.2 | I554 A555 A556 K560 I565 F596 E597 E602 | I554-H558 PolarHBondContact O-CD2 3.1Å; I554-H558 PolarHBondContact O-N 2.96Å; A555-H558 PolarHBondContact O-N 3.46Å; A556-H558 PolarHBondContact O-N 3.49Å; H558-K560 VanDerWaalsContact C-N 3.31Å; H558-K560 HydrophobicContact CB-CB 4.26Å; H558-K560 HydrophobicContact CB-CG 3.81Å; H558-I565 HydrophobicContact CB-CD1 4.31Å; H558-F596 HydrophobicContact CB-CD2 4.33Å; H558-F596 AromaticContact ND1-CD2 3.74Å; H558-E597 PolarHBondContact CE1-O 2.66Å; H558-E602 IonicContact CD2-OE1 2.72Å; H558-E602 IonicContact CE1-OE2 3.97Å; H558-E602 VanDerWaalsContact NE2-CD 3.27Å; H558-E602 IonicContact NE2-OE1 3.84Å; H558-E602 PolarHBondContact NE2-OE1 3.12Å; H558-E602 IonicContact NE2-OE2 2.93Å; H558-E602 PolarHBondContact NE2-OE2 3.12Å |
| 559 | G | 85.6 | Confident | 85.3 | Confident | 69 Ų | 69 | 37.7 Ų | 37.7 | 71% | 0.711 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 31.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A555 A556 | A555-G559 PolarHBondContact O-N 2.81Å; A556-G559 PolarHBondContact O-N 3.47Å |
| 560 | K | 90.5 | Very high | 86.2 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | trans | -117.4 | 171.9 | -174.1 | -64.7 | -70.8 | 171.1 | 170.1 | 0 | 110.8 | A555 H558 Q564 I565 D595 F596 | A555-K560 CarbonylContact C-O 3.49Å; A555-K560 WeakPolarHBondContact CB-O 3.49Å; A555-K560 PolarHBondContact O-N 3.45Å; H558-K560 VanDerWaalsContact C-N 3.31Å; H558-K560 HydrophobicContact CB-CB 4.26Å; H558-K560 HydrophobicContact CB-CG 3.81Å; K560-Q564 HydrophobicContact CB-CB 4.14Å; K560-Q564 VanDerWaalsContact CD-OE1 3.32Å; K560-I565 HydrophobicContact CB-CD1 3.97Å; K560-D595 IonicContact NZ-OD1 3.19Å; K560-D595 PolarHBondContact NZ-OD1 3.42Å; K560-D595 IonicContact NZ-OD2 2.67Å; K560-D595 PolarHBondContact NZ-OD2 2.88Å; K560-F596 HydrophobicContact CD-CD1 3.83Å; K560-F596 HydrophobicContact CD-CE1 3.74Å; K560-F596 HydrophobicContact CD-CG 4.38Å; K560-F596 HydrophobicContact CD-CZ 4.25Å; K560-F596 HydrophobicContact CG-CD1 4.15Å; K560-F596 HydrophobicContact CG-CD2 4.3Å; K560-F596 HydrophobicContact CG-CE1 3.99Å; K560-F596 HydrophobicContact CG-CE2 4.16Å; K560-F596 HydrophobicContact CG-CG 4.29Å; K560-F596 HydrophobicContact CG-CZ 4Å | ||
| 561 | S | 90.8 | Very high | 87.2 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | trans | -87.1 | 154.4 | 171 | 81.5 | 0 | 0 | 0 | 0 | 111.7 | A563 Q564 I565 | S561-A563 PolarHBondContact O-N 3.39Å; S561-A563 VanDerWaalsContact O-N 3.12Å; S561-Q564 WeakPolarHBondContact O-CB 3.25Å; S561-Q564 PolarHBondContact O-N 2.86Å; S561-Q564 PolarHBondContact OG-N 2.59Å; S561-I565 PolarHBondContact O-N 2.88Å | ||
| 562 | P | 89.1 | Confident | 87.6 | Confident | 35 Ų | 35 | 35.1 Ų | 35.1 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.3 | -30.6 | 174.2 | -29.3 | 37.1 | 0 | 0 | 0 | 113.7 | L546 V551 K552 A555 I565 L566 | L546-P562 HydrophobicContact CD2-CB 4.41Å; V551-P562 HydrophobicContact CG1-CB 3.91Å; K552-P562 HydrophobicContact CG-CG 3.94Å; A555-P562 HydrophobicContact CB-CG 4.14Å; P562-I565 PolarHBondContact O-N 3.31Å; P562-L566 WeakPolarHBondContact O-CD1 3.36Å; P562-L566 VanDerWaalsContact O-CG 3.31Å; P562-L566 WeakPolarHBondContact O-CG 3.35Å; P562-L566 PolarHBondContact O-N 2.62Å; P562-L566 VanDerWaalsContact O-N 3.14Å |
| 563 | A | 91.3 | Very high | 87.8 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L522 L546 S561 L566 L567 | L522-A563 HydrophobicContact CD1-CB 3.97Å; L522-A563 HydrophobicContact CD2-CB 4.03Å; L546-A563 HydrophobicContact CD2-CB 3.68Å; S561-A563 PolarHBondContact O-N 3.39Å; S561-A563 VanDerWaalsContact O-N 3.12Å; A563-L566 PolarHBondContact O-N 3.4Å; A563-L567 WeakPolarHBondContact O-CB 3.39Å; A563-L567 VanDerWaalsContact O-CG 3.27Å; A563-L567 WeakPolarHBondContact O-CG 3.3Å; A563-L567 PolarHBondContact O-N 2.97Å |
| 564 | Q | 93.6 | Very high | 88.1 | Confident | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.5 | -70.4 | 172.3 | -46.1 | 0 | 0 | 111.7 | K560 S561 L567 K568 E589 Q592 L593 F596 | K560-Q564 HydrophobicContact CB-CB 4.14Å; K560-Q564 VanDerWaalsContact CD-OE1 3.32Å; S561-Q564 WeakPolarHBondContact O-CB 3.25Å; S561-Q564 PolarHBondContact O-N 2.86Å; S561-Q564 PolarHBondContact OG-N 2.59Å; Q564-L567 PolarHBondContact O-N 3.33Å; Q564-K568 WeakPolarHBondContact O-CB 3.06Å; Q564-K568 PolarHBondContact O-N 3.34Å; Q564-E589 HydrophobicContact CG-CB 4.47Å; Q564-E589 VanDerWaalsContact CG-O 3.29Å; Q564-E589 WeakPolarHBondContact CG-O 3.48Å; Q564-E589 PolarHBondContact NE2-O 2.77Å; Q564-Q592 PolarHBondContact NE2-O 2.87Å; Q564-L593 HydrophobicContact CB-CD2 3.86Å; Q564-L593 HydrophobicContact CG-CD2 3.92Å; Q564-F596 HydrophobicContact CB-CE1 4.41Å; Q564-F596 HydrophobicContact CB-CZ 4.21Å |
| 565 | I | 92.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 176.5 | -55.9 | -49.5 | 0 | 0 | 0 | 111.2 | V551 I554 A555 H558 K560 S561 P562 L567 K568 W569 F596 L598 | V551-I565 HydrophobicContact CG1-CB 4.11Å; V551-I565 HydrophobicContact CG1-CG2 4.19Å; I554-I565 HydrophobicContact CB-CG2 4.15Å; I554-I565 HydrophobicContact CG2-CD1 4.03Å; I554-I565 HydrophobicContact CG2-CG1 4.21Å; I554-I565 HydrophobicContact CG2-CG2 3.69Å; A555-I565 HydrophobicContact CB-CD1 4.47Å; A555-I565 HydrophobicContact CB-CG1 3.65Å; H558-I565 HydrophobicContact CB-CD1 4.31Å; K560-I565 HydrophobicContact CB-CD1 3.97Å; S561-I565 PolarHBondContact O-N 2.88Å; P562-I565 PolarHBondContact O-N 3.31Å; I565-L567 PolarHBondContact O-N 3.25Å; I565-K568 PolarHBondContact O-N 2.81Å; I565-W569 VanDerWaalsContact O-CB 3.26Å; I565-W569 WeakPolarHBondContact O-CB 3.49Å; I565-W569 PolarHBondContact O-N 3Å; I565-F596 HydrophobicContact CD1-CE2 3.77Å; I565-F596 HydrophobicContact CD1-CZ 4.14Å; I565-L598 HydrophobicContact CD1-CD2 4.04Å; I565-L598 HydrophobicContact CG2-CD1 4.25Å; I565-L598 HydrophobicContact CG2-CD2 4.26Å |
| 566 | L | 91.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 178.7 | -71.3 | 163.4 | 0 | 0 | 0 | 112.9 | I498 L522 P545 L546 V551 P562 A563 L570 | I498-L566 HydrophobicContact CB-CD2 3.99Å; I498-L566 HydrophobicContact CD1-CD2 4.11Å; I498-L566 HydrophobicContact CG2-CD2 3.92Å; L522-L566 HydrophobicContact CD2-CB 3.8Å; L522-L566 HydrophobicContact CD2-CD1 3.81Å; L522-L566 HydrophobicContact CD2-CG 4.49Å; P545-L566 HydrophobicContact CB-CD1 3.55Å; P545-L566 HydrophobicContact CB-CD2 3.86Å; P545-L566 HydrophobicContact CB-CG 4.37Å; L546-L566 HydrophobicContact CD2-CD1 4.02Å; L546-L566 HydrophobicContact CG-CD1 4.44Å; V551-L566 HydrophobicContact CG1-CD1 4.3Å; V551-L566 HydrophobicContact CG1-CD2 4.24Å; V551-L566 HydrophobicContact CG1-CG 3.85Å; V551-L566 HydrophobicContact CG2-CD2 4.12Å; P562-L566 WeakPolarHBondContact O-CD1 3.36Å; P562-L566 VanDerWaalsContact O-CG 3.31Å; P562-L566 WeakPolarHBondContact O-CG 3.35Å; P562-L566 PolarHBondContact O-N 2.62Å; P562-L566 VanDerWaalsContact O-N 3.14Å; A563-L566 PolarHBondContact O-N 3.4Å; L566-L570 PolarHBondContact O-N 3.43Å |
| 567 | L | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.9 | -40.8 | 177.5 | -68.9 | 167.7 | 0 | 0 | 0 | 111.5 | P521 L522 A563 Q564 I565 L570 L571 V577 P579 N590 L593 | P521-L567 HydrophobicContact CB-CD2 3.78Å; P521-L567 HydrophobicContact CG-CD2 3.54Å; L522-L567 HydrophobicContact CD2-CG 4.18Å; A563-L567 WeakPolarHBondContact O-CB 3.39Å; A563-L567 VanDerWaalsContact O-CG 3.27Å; A563-L567 WeakPolarHBondContact O-CG 3.3Å; A563-L567 PolarHBondContact O-N 2.97Å; Q564-L567 PolarHBondContact O-N 3.33Å; I565-L567 PolarHBondContact O-N 3.25Å; L567-L570 PolarHBondContact O-N 3.48Å; L567-L571 WeakPolarHBondContact O-CG 3.28Å; L567-L571 PolarHBondContact O-N 2.69Å; L567-V577 HydrophobicContact CD2-CB 3.98Å; L567-V577 HydrophobicContact CD2-CG2 3.96Å; L567-P579 HydrophobicContact CD1-CB 4.15Å; L567-P579 HydrophobicContact CD1-CG 4.04Å; L567-P579 HydrophobicContact CD2-CB 3.98Å; L567-P579 HydrophobicContact CD2-CG 3.89Å; L567-N590 HydrophobicContact CD1-CB 3.83Å; L567-N590 WeakPolarHBondContact CD1-OD1 3.24Å; L567-L593 HydrophobicContact CB-CD1 3.62Å; L567-L593 HydrophobicContact CB-CD2 4.01Å; L567-L593 HydrophobicContact CD1-CD1 4.16Å; L567-L593 HydrophobicContact CD1-CD2 4.48Å; L567-L593 HydrophobicContact CG-CD1 4.46Å |
| 568 | K | 92 | Very high | 90.3 | Very high | 16 Ų | 16 | 23 Ų | 23 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 177.8 | -173.4 | 61.3 | 168 | -161 | 0 | 112.6 | Q564 I565 L570 L571 Q572 L593 F596 L598 | Q564-K568 WeakPolarHBondContact O-CB 3.06Å; Q564-K568 PolarHBondContact O-N 3.34Å; I565-K568 PolarHBondContact O-N 2.81Å; K568-L570 PolarHBondContact O-N 2.83Å; K568-L571 PolarHBondContact O-N 3.47Å; K568-Q572 HydrophobicContact CD-CG 4.21Å; K568-Q572 VanDerWaalsContact CG-OE1 3.29Å; K568-Q572 PolarHBondContact O-N 3.28Å; K568-L593 WeakPolarHBondContact CD-O 3.36Å; K568-L593 PolarHBondContact NZ-O 3.42Å; K568-F596 HydrophobicContact CB-CE2 4.14Å; K568-F596 HydrophobicContact CB-CZ 3.76Å; K568-F596 WeakPolarHBondContact CE-O 3.33Å; K568-F596 HydrophobicContact CG-CE2 3.94Å; K568-F596 HydrophobicContact CG-CZ 3.91Å; K568-F596 PolarHBondContact NZ-O 3.48Å; K568-L598 HydrophobicContact CB-CD1 4.37Å; K568-L598 HydrophobicContact CB-CG 4.47Å; K568-L598 HydrophobicContact CG-CD1 4.32Å; K568-L598 HydrophobicContact CG-CG 4Å |
| 569 | W | 90.7 | Very high | 90.6 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.011 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.8 | -29.8 | 175.6 | -176.8 | 95 | 0 | 0 | 0 | 113.2 | I498 P501 F503 I565 R573 L598 M603 M607 | I498-W569 HydrophobicContact CG1-CH2 4.35Å; I498-W569 HydrophobicContact CG1-CZ2 4.25Å; P501-W569 HydrophobicContact CB-CH2 3.99Å; P501-W569 HydrophobicContact CB-CZ3 4.41Å; F503-W569 HydrophobicContact CE1-CH2 4.12Å; F503-W569 AromaticContact CZ-CH2 3.92Å; F503-W569 HydrophobicContact CZ-CH2 3.92Å; F503-W569 HydrophobicContact CZ-CZ2 4.33Å; I565-W569 VanDerWaalsContact O-CB 3.26Å; I565-W569 WeakPolarHBondContact O-CB 3.49Å; I565-W569 PolarHBondContact O-N 3Å; W569-R573 VanDerWaalsContact CD1-NH1 3.3Å; W569-R573 VanDerWaalsContact NE1-NH1 3.12Å; W569-R573 PolarHBondContact O-NH1 3.15Å; W569-L598 HydrophobicContact CB-CD1 3.89Å; W569-M603 PolarHBondContact NE1-O 3.36Å; W569-M607 HydrophobicContact CZ2-SD 3.91Å |
| 570 | L | 92.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -82.5 | -44.8 | 171.7 | -66.9 | 169.4 | 0 | 0 | 0 | 111.9 | A518 P521 L566 L567 K568 Q572 R573 M575 V577 | A518-L570 HydrophobicContact CB-CD1 4.06Å; P521-L570 HydrophobicContact CB-CD1 3.42Å; P521-L570 VanDerWaalsContact CB-CD1 3.42Å; L566-L570 PolarHBondContact O-N 3.43Å; L567-L570 PolarHBondContact O-N 3.48Å; K568-L570 PolarHBondContact O-N 2.83Å; L570-Q572 PolarHBondContact O-N 3.05Å; L570-R573 WeakPolarHBondContact O-CA 3.36Å; L570-R573 WeakPolarHBondContact O-CB 3.44Å; L570-R573 PolarHBondContact O-N 3.23Å; L570-M575 HydrophobicContact CB-CB 4.44Å; L570-M575 HydrophobicContact CB-SD 4.47Å; L570-M575 HydrophobicContact CD2-SD 3.56Å; L570-M575 VanDerWaalsContact CD2-SD 3.56Å; L570-M575 WeakPolarHBondContact O-CB 3.16Å; L570-M575 PolarHBondContact O-N 2.66Å; L570-V577 HydrophobicContact CB-CG1 3.44Å; L570-V577 VanDerWaalsContact CB-CG1 3.44Å; L570-V577 HydrophobicContact CD1-CG1 3.88Å; L570-V577 HydrophobicContact CG-CG1 4.31Å |
| 571 | L | 87.9 | Confident | 90.4 | Very high | 17 Ų | 17 | 19.8 Ų | 19.8 | 9% | 0.089 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.1 | -41.5 | 178.6 | -77.5 | 173.4 | 0 | 0 | 0 | 113 | M307 L567 K568 R573 D574 V577 L593 F594 | M307-L571 HydrophobicContact CB-CD2 3.84Å; M307-L571 HydrophobicContact CE-CD2 4.16Å; M307-L571 WeakPolarHBondContact O-CD2 3.22Å; L567-L571 WeakPolarHBondContact O-CG 3.28Å; L567-L571 PolarHBondContact O-N 2.69Å; K568-L571 PolarHBondContact O-N 3.47Å; L571-R573 PolarHBondContact O-N 3.29Å; L571-R573 VanDerWaalsContact O-N 3.08Å; L571-D574 PolarHBondContact O-N 3Å; L571-D574 VanDerWaalsContact O-N 3.15Å; L571-V577 HydrophobicContact CD1-CG2 4.34Å; L571-V577 HydrophobicContact CD2-CG1 4.48Å; L571-V577 HydrophobicContact CD2-CG2 3.92Å; L571-V577 HydrophobicContact CG-CG1 4.32Å; L571-V577 HydrophobicContact CG-CG2 3.94Å; L571-L593 HydrophobicContact CD1-CB 3.9Å; L571-L593 HydrophobicContact CD1-CD1 3.54Å; L571-L593 HydrophobicContact CD1-CG 4.37Å; L571-F594 HydrophobicContact CD1-CZ 4.5Å |
| 572 | Q | 87.2 | Confident | 90 | Very high | 58 Ų | 58 | 20.7 Ų | 20.7 | 27% | 0.271 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 9 | 174.5 | -78 | -179.9 | -116.9 | 0 | 0 | 113.9 | K568 L570 L598 M603 | K568-Q572 HydrophobicContact CD-CG 4.21Å; K568-Q572 VanDerWaalsContact CG-OE1 3.29Å; K568-Q572 PolarHBondContact O-N 3.28Å; L570-Q572 PolarHBondContact O-N 3.05Å; Q572-L598 PolarHBondContact NE2-O 3.05Å; Q572-M603 HydrophobicContact CB-CE 3.38Å; Q572-M603 HydrophobicContact CB-SD 3.87Å; Q572-M603 WeakPolarHBondContact O-CE 3.49Å |
| 573 | R | 85 | Confident | 89.7 | Confident | 46 Ų | 46 | 21.9 Ų | 21.9 | 17% | 0.174 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 19.7 | 169.8 | -68.2 | -179.7 | 165.7 | 76.9 | 0 | 112.4 | H506 W569 L570 L571 M575 M603 | H506-R573 PolarHBondContact CE1-O 3.42Å; H506-R573 PolarHBondContact NE2-O 2.9Å; H506-R573 VanDerWaalsContact NE2-O 3.08Å; W569-R573 VanDerWaalsContact CD1-NH1 3.3Å; W569-R573 VanDerWaalsContact NE1-NH1 3.12Å; W569-R573 PolarHBondContact O-NH1 3.15Å; L570-R573 WeakPolarHBondContact O-CA 3.36Å; L570-R573 WeakPolarHBondContact O-CB 3.44Å; L570-R573 PolarHBondContact O-N 3.23Å; L571-R573 PolarHBondContact O-N 3.29Å; L571-R573 VanDerWaalsContact O-N 3.08Å; R573-M575 HydrophobicContact CB-CE 4.21Å; R573-M575 HydrophobicContact CB-CG 4.23Å; R573-M575 HydrophobicContact CB-SD 4.48Å; R573-M575 PolarHBondContact O-N 3.37Å; R573-M603 HydrophobicContact CG-CE 3.98Å; R573-M603 PolarHBondContact NH2-O 3.46Å |
| 574 | D | 85.2 | Confident | 89 | Confident | 93 Ų | 93 | 24.7 Ų | 24.7 | 50% | 0.497 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 18.7 | -176.7 | -44.8 | -47.8 | 0 | 0 | 0 | 114.6 | K510 L571 | K510-D574 IonicContact NZ-OD2 3.35Å; K510-D574 PolarHBondContact NZ-OD2 2.95Å; L571-D574 PolarHBondContact O-N 3Å; L571-D574 VanDerWaalsContact O-N 3.15Å |
| 575 | M | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -88.6 | 131.4 | 177.6 | -56.6 | -180 | -179.7 | 0 | 0 | 111.2 | M307 H506 F516 L570 R573 | M307-M575 WeakPolarHBondContact CE-O 3.37Å; H506-M575 HydrophobicContact CB-CE 3.84Å; H506-M575 VanDerWaalsContact CG-CE 3.47Å; F516-M575 HydrophobicContact CD1-CB 4.19Å; F516-M575 HydrophobicContact CD1-CG 3.84Å; F516-M575 HydrophobicContact CD1-SD 4.13Å; F516-M575 HydrophobicContact CE1-CE 4.38Å; F516-M575 HydrophobicContact CE1-CG 4.3Å; F516-M575 HydrophobicContact CE1-SD 3.97Å; L570-M575 HydrophobicContact CB-CB 4.44Å; L570-M575 HydrophobicContact CB-SD 4.47Å; L570-M575 HydrophobicContact CD2-SD 3.56Å; L570-M575 VanDerWaalsContact CD2-SD 3.56Å; L570-M575 WeakPolarHBondContact O-CB 3.16Å; L570-M575 PolarHBondContact O-N 2.66Å; R573-M575 HydrophobicContact CB-CE 4.21Å; R573-M575 HydrophobicContact CB-CG 4.23Å; R573-M575 HydrophobicContact CB-SD 4.48Å; R573-M575 PolarHBondContact O-N 3.37Å | ||
| 576 | I | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.7 | 168.1 | -55.6 | 155.5 | 0 | 0 | 0 | 107.9 | V297 M305 M307 N491 F516 T517 A518 | V297-I576 HydrophobicContact CG1-CD1 3.7Å; V297-I576 HydrophobicContact CG1-CG1 3.71Å; M305-I576 HydrophobicContact CE-CD1 3.96Å; M305-I576 HydrophobicContact CE-CG2 4.41Å; M305-I576 HydrophobicContact CG-CD1 4.26Å; M305-I576 HydrophobicContact SD-CD1 3.68Å; M307-I576 WeakPolarHBondContact O-CA 3.26Å; M307-I576 HydrophobicContact SD-CG1 3.92Å; N491-I576 WeakPolarHBondContact ND2-CD1 3.03Å; F516-I576 PolarHBondContact O-N 2.68Å; T517-I576 CarbonylContact C-O 2.94Å; T517-I576 WeakPolarHBondContact CA-O 3.3Å; T517-I576 HydrophobicContact CG2-CB 4.19Å; T517-I576 HydrophobicContact CG2-CG2 4.08Å; A518-I576 PolarHBondContact N-O 3.17Å |
| 577 | V | 94.4 | Very high | 88 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.1 | -179 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | M307 L308 G309 L567 L570 L571 P579 | M307-V577 PolarHBondContact O-N 2.7Å; L308-V577 HydrophobicContact CD1-CG2 3.72Å; G309-V577 PolarHBondContact N-O 3.46Å; L567-V577 HydrophobicContact CD2-CB 3.98Å; L567-V577 HydrophobicContact CD2-CG2 3.96Å; L570-V577 HydrophobicContact CB-CG1 3.44Å; L570-V577 VanDerWaalsContact CB-CG1 3.44Å; L570-V577 HydrophobicContact CD1-CG1 3.88Å; L570-V577 HydrophobicContact CG-CG1 4.31Å; L571-V577 HydrophobicContact CD1-CG2 4.34Å; L571-V577 HydrophobicContact CD2-CG1 4.48Å; L571-V577 HydrophobicContact CD2-CG2 3.92Å; L571-V577 HydrophobicContact CG-CG1 4.32Å; L571-V577 HydrophobicContact CG-CG2 3.94Å; V577-P579 VanDerWaalsContact C-CD 3.49Å; V577-P579 WeakPolarHBondContact O-CD 3.2Å |
| 578 | I | 93.5 | Very high | 87.4 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 76 | 175.1 | 59.4 | 171.6 | 0 | 0 | 0 | 113.1 | G309 D345 Q493 T517 A518 | G309-I578 WeakPolarHBondContact O-CA 3.35Å; D345-I578 HydrophobicContact CB-CD1 3.68Å; D345-I578 HydrophobicContact CB-CG2 4.34Å; Q493-I578 HydrophobicContact CG-CD1 4.5Å; T517-I578 HydrophobicContact CG2-CD1 4.19Å; T517-I578 HydrophobicContact CG2-CG1 4.15Å; T517-I578 HydrophobicContact CG2-CG2 4.11Å; A518-I578 PolarHBondContact O-N 3.06Å; A518-I578 VanDerWaalsContact O-N 3.1Å |
| 579 | P | 92 | Very high | 87.1 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | trans | -62.2 | 152.4 | 167.7 | 25.8 | -33.8 | 0 | 0 | 0 | 112.4 | L308 G309 G311 P521 L567 V577 N590 | L308-P579 HydrophobicContact CD1-CG 3.84Å; G309-P579 WeakPolarHBondContact O-CD 3.42Å; G311-P579 PolarHBondContact N-O 3.39Å; P521-P579 HydrophobicContact CG-CB 4.3Å; L567-P579 HydrophobicContact CD1-CB 4.15Å; L567-P579 HydrophobicContact CD1-CG 4.04Å; L567-P579 HydrophobicContact CD2-CB 3.98Å; L567-P579 HydrophobicContact CD2-CG 3.89Å; V577-P579 VanDerWaalsContact C-CD 3.49Å; V577-P579 WeakPolarHBondContact O-CD 3.2Å; P579-N590 HydrophobicContact CG-CB 4.3Å | ||
| 580 | K | 86.1 | Confident | 87.1 | Confident | 78 Ų | 78 | 37.6 Ų | 37.6 | 34% | 0.339 | 20% | 0.196 | S | C | . | . | trans | -120.8 | 128.7 | 171.8 | -176.4 | -89.7 | -178.5 | -170.1 | 0 | 109.7 | G311 W313 | G311-K580 WeakPolarHBondContact O-CB 3.38Å; G311-K580 WeakPolarHBondContact O-CG 3.22Å; W313-K580 WeakPolarHBondContact O-CE 3.4Å | ||
| 581 | S | 85.5 | Confident | 86.8 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 8% | 0.077 | 21% | 0.209 | C | C | . | . | trans | -146.3 | 145.9 | 167.9 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | Y310 N583 | Y310-S581 WeakPolarHBondContact CE2-O 3.15Å; Y310-S581 PolarHBondContact OH-O 2.95Å; Y310-S581 VanDerWaalsContact OH-O 3.06Å; S581-N583 PolarHBondContact OG-N 2.87Å; S581-N583 PolarHBondContact OG-O 3.29Å; S581-N583 VanDerWaalsContact OG-O 3.11Å | ||
| 582 | T | 81.8 | Confident | 86.7 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | trans | -111.7 | 4.9 | 165.9 | 44.1 | 0 | 0 | 0 | 0 | 111.9 | L328 | L328-T582 HydrophobicContact CB-CG2 4.33Å; L328-T582 WeakPolarHBondContact O-CG2 3.49Å | ||
| 583 | N | 83.1 | Confident | 86.6 | Confident | 59 Ų | 59 | 41 Ų | 41 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -90.6 | 118.1 | 169.7 | 177.7 | 0.3 | 0 | 0 | 0 | 109.5 | S581 V585 H586 I587 | S581-N583 PolarHBondContact OG-N 2.87Å; S581-N583 PolarHBondContact OG-O 3.29Å; S581-N583 VanDerWaalsContact OG-O 3.11Å; N583-V585 PolarHBondContact O-N 3.38Å; N583-V585 VanDerWaalsContact O-N 3.12Å; N583-V585 PolarHBondContact OD1-N 3.14Å; N583-H586 HydrophobicContact CB-CB 4.49Å; N583-H586 PolarHBondContact ND2-CD2 2.86Å; N583-H586 VanDerWaalsContact ND2-CD2 3.35Å; N583-H586 PolarHBondContact ND2-CE1 3.4Å; N583-H586 VanDerWaalsContact ND2-CE1 3.34Å; N583-H586 PolarHBondContact ND2-NE2 3.08Å; N583-H586 PolarHBondContact O-N 2.67Å; N583-I587 VanDerWaalsContact O-CG1 3.31Å; N583-I587 WeakPolarHBondContact O-CG1 3.43Å; N583-I587 PolarHBondContact O-N 3.26Å; N583-I587 VanDerWaalsContact O-N 3.07Å |
| 584 | P | 77.1 | Confident | 86.1 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -49.6 | -32.5 | 175.8 | -32.7 | 39.1 | 0 | 0 | 0 | 115.9 | K335 L588 | K335-P584 HydrophobicContact CG-CB 3.99Å; K335-P584 HydrophobicContact CG-CG 4.49Å; P584-L588 PolarHBondContact O-N 3.08Å |
| 585 | V | 80.9 | Confident | 85.7 | Confident | 83 Ų | 83 | 43 Ų | 43 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.3 | -54.9 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | N583 I587 L588 E589 | N583-V585 PolarHBondContact O-N 3.38Å; N583-V585 VanDerWaalsContact O-N 3.12Å; N583-V585 PolarHBondContact OD1-N 3.14Å; V585-I587 PolarHBondContact O-N 2.96Å; V585-L588 WeakPolarHBondContact O-CB 3.4Å; V585-L588 PolarHBondContact O-N 3.44Å; V585-E589 WeakPolarHBondContact CG1-OE1 3.44Å; V585-E589 PolarHBondContact O-N 3.17Å |
| 586 | H | 89.2 | Confident | 85.3 | Confident | 90 Ų | 90 | 44.1 Ų | 44.1 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.4 | -26.3 | 178.6 | -47.9 | 163.4 | 0 | 0 | 0 | 112.3 | N583 L588 E589 N590 | N583-H586 HydrophobicContact CB-CB 4.49Å; N583-H586 PolarHBondContact ND2-CD2 2.86Å; N583-H586 VanDerWaalsContact ND2-CD2 3.35Å; N583-H586 PolarHBondContact ND2-CE1 3.4Å; N583-H586 VanDerWaalsContact ND2-CE1 3.34Å; N583-H586 PolarHBondContact ND2-NE2 3.08Å; N583-H586 PolarHBondContact O-N 2.67Å; H586-L588 VanDerWaalsContact C-N 3.35Å; H586-E589 IonicContact CD2-OE2 2.84Å; H586-N590 WeakPolarHBondContact O-CB 3.13Å; H586-N590 PolarHBondContact O-N 2.82Å; H586-N590 PolarHBondContact O-ND2 3.16Å; H586-N590 VanDerWaalsContact O-ND2 3.14Å |
| 587 | I | 86.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 173 | -67.9 | 167.3 | 0 | 0 | 0 | 110.5 | Y310 G332 K335 A336 V339 Y341 N583 V585 F591 | Y310-I587 HydrophobicContact CE2-CD1 4.22Å; Y310-I587 HydrophobicContact CE2-CG1 4.31Å; G332-I587 WeakPolarHBondContact O-CD1 3.44Å; K335-I587 HydrophobicContact CB-CD1 4.39Å; K335-I587 HydrophobicContact CG-CD1 4.46Å; K335-I587 HydrophobicContact CG-CG2 4.4Å; A336-I587 HydrophobicContact CB-CG2 4.01Å; V339-I587 HydrophobicContact CG2-CG2 4.46Å; Y341-I587 HydrophobicContact CD2-CG2 4.39Å; Y341-I587 HydrophobicContact CE2-CG2 4.01Å; N583-I587 VanDerWaalsContact O-CG1 3.31Å; N583-I587 WeakPolarHBondContact O-CG1 3.43Å; N583-I587 PolarHBondContact O-N 3.26Å; N583-I587 VanDerWaalsContact O-N 3.07Å; V585-I587 PolarHBondContact O-N 2.96Å; I587-F591 PolarHBondContact O-N 2.93Å |
| 588 | L | 80.5 | Confident | 84.1 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 38% | 0.377 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.5 | -44.5 | 175.8 | 179.7 | 60.6 | 0 | 0 | 0 | 111.9 | V339 P584 V585 H586 N590 F591 Q592 | V339-L588 HydrophobicContact CG1-CD1 4.02Å; V339-L588 HydrophobicContact CG2-CB 4.46Å; V339-L588 HydrophobicContact CG2-CD1 4.18Å; P584-L588 PolarHBondContact O-N 3.08Å; V585-L588 WeakPolarHBondContact O-CB 3.4Å; V585-L588 PolarHBondContact O-N 3.44Å; H586-L588 VanDerWaalsContact C-N 3.35Å; L588-N590 PolarHBondContact O-N 3.44Å; L588-F591 WeakPolarHBondContact O-CB 3.37Å; L588-F591 PolarHBondContact O-N 3.45Å; L588-F591 VanDerWaalsContact O-N 3.14Å; L588-Q592 WeakPolarHBondContact O-CG 3.47Å; L588-Q592 PolarHBondContact O-N 2.79Å |
| 589 | E | 86.7 | Confident | 83.2 | Confident | 56 Ų | 56 | 52 Ų | 52 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 177.1 | -68.1 | 171.7 | -176.1 | 0 | 0 | 111.8 | Q564 V585 H586 F591 Q592 | Q564-E589 HydrophobicContact CG-CB 4.47Å; Q564-E589 VanDerWaalsContact CG-O 3.29Å; Q564-E589 WeakPolarHBondContact CG-O 3.48Å; Q564-E589 PolarHBondContact NE2-O 2.77Å; V585-E589 WeakPolarHBondContact CG1-OE1 3.44Å; V585-E589 PolarHBondContact O-N 3.17Å; H586-E589 IonicContact CD2-OE2 2.84Å; E589-F591 PolarHBondContact O-N 2.89Å; E589-F591 VanDerWaalsContact O-N 3.09Å; E589-Q592 PolarHBondContact O-N 3.47Å |
| 590 | N | 90.5 | Very high | 81.9 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.4 | 178.8 | -69.9 | -20 | 0 | 0 | 0 | 113.8 | L308 Y341 L567 P579 H586 L588 L593 | L308-N590 WeakPolarHBondContact CD2-O 3.42Å; Y341-N590 VanDerWaalsContact OH-CB 3.3Å; Y341-N590 WeakPolarHBondContact OH-CB 3.3Å; Y341-N590 PolarHBondContact OH-O 2.93Å; L567-N590 HydrophobicContact CD1-CB 3.83Å; L567-N590 WeakPolarHBondContact CD1-OD1 3.24Å; P579-N590 HydrophobicContact CG-CB 4.3Å; H586-N590 WeakPolarHBondContact O-CB 3.13Å; H586-N590 PolarHBondContact O-N 2.82Å; H586-N590 PolarHBondContact O-ND2 3.16Å; H586-N590 VanDerWaalsContact O-ND2 3.14Å; L588-N590 PolarHBondContact O-N 3.44Å; N590-L593 VanDerWaalsContact O-CD1 3.24Å; N590-L593 WeakPolarHBondContact O-CD1 3.3Å; N590-L593 WeakPolarHBondContact O-CG 3.46Å |
| 591 | F | 85.9 | Confident | 81 | Confident | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -25.9 | 173.4 | -166.5 | -104.3 | 0 | 0 | 0 | 112.8 | L308 V339 G340 Y341 I587 L588 E589 L593 | L308-F591 HydrophobicContact CD2-CD2 3.7Å; L308-F591 HydrophobicContact CD2-CE2 4.36Å; L308-F591 HydrophobicContact CD2-CG 4.42Å; V339-F591 HydrophobicContact CG1-CB 3.57Å; V339-F591 HydrophobicContact CG1-CD1 3.68Å; V339-F591 HydrophobicContact CG1-CD2 4.19Å; V339-F591 HydrophobicContact CG1-CE1 4.42Å; V339-F591 HydrophobicContact CG1-CG 3.55Å; V339-F591 VanDerWaalsContact O-CE1 3.31Å; V339-F591 WeakPolarHBondContact O-CE1 3.39Å; G340-F591 WeakPolarHBondContact O-CE2 3.36Å; Y341-F591 AromaticContact CD2-CD2 3.83Å; Y341-F591 HydrophobicContact CD2-CD2 3.83Å; Y341-F591 HydrophobicContact CD2-CE2 4.48Å; Y341-F591 HydrophobicContact CE2-CB 3.97Å; Y341-F591 AromaticContact CE2-CD2 3.82Å; Y341-F591 HydrophobicContact CE2-CD2 3.82Å; Y341-F591 HydrophobicContact CE2-CG 4.31Å; Y341-F591 HydrophobicContact CG-CD2 4.29Å; I587-F591 PolarHBondContact O-N 2.93Å; L588-F591 WeakPolarHBondContact O-CB 3.37Å; L588-F591 PolarHBondContact O-N 3.45Å; L588-F591 VanDerWaalsContact O-N 3.14Å; E589-F591 PolarHBondContact O-N 2.89Å; E589-F591 VanDerWaalsContact O-N 3.09Å; F591-L593 VanDerWaalsContact C-N 3.27Å; F591-L593 PolarHBondContact O-N 2.88Å |
| 592 | Q | 85.2 | Confident | 80.4 | Confident | 85 Ų | 85 | 59.9 Ų | 59.9 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | trans | -82.6 | 66.6 | -179.1 | -68.8 | 172 | -12.2 | 0 | 0 | 111.5 | Q564 L588 E589 | Q564-Q592 PolarHBondContact NE2-O 2.87Å; L588-Q592 WeakPolarHBondContact O-CG 3.47Å; L588-Q592 PolarHBondContact O-N 2.79Å; E589-Q592 PolarHBondContact O-N 3.47Å | ||
| 593 | L | 84.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -116 | -11.3 | -177 | -55.1 | 179.6 | 0 | 0 | 0 | 114.1 | L308 Q564 L567 K568 L571 N590 F591 | L308-L593 HydrophobicContact CD1-CD1 4.23Å; L308-L593 HydrophobicContact CD2-CD1 4.3Å; Q564-L593 HydrophobicContact CB-CD2 3.86Å; Q564-L593 HydrophobicContact CG-CD2 3.92Å; L567-L593 HydrophobicContact CB-CD1 3.62Å; L567-L593 HydrophobicContact CB-CD2 4.01Å; L567-L593 HydrophobicContact CD1-CD1 4.16Å; L567-L593 HydrophobicContact CD1-CD2 4.48Å; L567-L593 HydrophobicContact CG-CD1 4.46Å; K568-L593 WeakPolarHBondContact CD-O 3.36Å; K568-L593 PolarHBondContact NZ-O 3.42Å; L571-L593 HydrophobicContact CD1-CB 3.9Å; L571-L593 HydrophobicContact CD1-CD1 3.54Å; L571-L593 HydrophobicContact CD1-CG 4.37Å; N590-L593 VanDerWaalsContact O-CD1 3.24Å; N590-L593 WeakPolarHBondContact O-CD1 3.3Å; N590-L593 WeakPolarHBondContact O-CG 3.46Å; F591-L593 VanDerWaalsContact C-N 3.27Å; F591-L593 PolarHBondContact O-N 2.88Å | ||
| 594 | F | 75.4 | Confident | 78.9 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -101.7 | 8.8 | -172.3 | -59.1 | -83.3 | 0 | 0 | 0 | 113.4 | K295 L308 L571 | K295-F594 HydrophobicContact CG-CD1 4.13Å; K295-F594 HydrophobicContact CG-CE1 4.03Å; K295-F594 HydrophobicContact CG-CZ 4.4Å; L308-F594 HydrophobicContact CB-CZ 4.49Å; L308-F594 HydrophobicContact CD2-CE2 4.34Å; L571-F594 HydrophobicContact CD1-CZ 4.5Å |
| 595 | D | 77.3 | Confident | 77.7 | Confident | 107 Ų | 107 | 63 Ų | 63 | 57% | 0.572 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -112.8 | 2.6 | -176.2 | 69.9 | -43.3 | 0 | 0 | 0 | 114.2 | K560 | K560-D595 IonicContact NZ-OD1 3.19Å; K560-D595 PolarHBondContact NZ-OD1 3.42Å; K560-D595 IonicContact NZ-OD2 2.67Å; K560-D595 PolarHBondContact NZ-OD2 2.88Å |
| 596 | F | 81.1 | Confident | 75.7 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | trans | -146.8 | 170.1 | 174.2 | 76 | -75 | 0 | 0 | 0 | 110.4 | H558 K560 Q564 I565 K568 L598 | H558-F596 HydrophobicContact CB-CD2 4.33Å; H558-F596 AromaticContact ND1-CD2 3.74Å; K560-F596 HydrophobicContact CD-CD1 3.83Å; K560-F596 HydrophobicContact CD-CE1 3.74Å; K560-F596 HydrophobicContact CD-CG 4.38Å; K560-F596 HydrophobicContact CD-CZ 4.25Å; K560-F596 HydrophobicContact CG-CD1 4.15Å; K560-F596 HydrophobicContact CG-CD2 4.3Å; K560-F596 HydrophobicContact CG-CE1 3.99Å; K560-F596 HydrophobicContact CG-CE2 4.16Å; K560-F596 HydrophobicContact CG-CG 4.29Å; K560-F596 HydrophobicContact CG-CZ 4Å; Q564-F596 HydrophobicContact CB-CE1 4.41Å; Q564-F596 HydrophobicContact CB-CZ 4.21Å; I565-F596 HydrophobicContact CD1-CE2 3.77Å; I565-F596 HydrophobicContact CD1-CZ 4.14Å; K568-F596 HydrophobicContact CB-CE2 4.14Å; K568-F596 HydrophobicContact CB-CZ 3.76Å; K568-F596 WeakPolarHBondContact CE-O 3.33Å; K568-F596 HydrophobicContact CG-CE2 3.94Å; K568-F596 HydrophobicContact CG-CZ 3.91Å; K568-F596 PolarHBondContact NZ-O 3.48Å; F596-L598 HydrophobicContact CE2-CD2 3.98Å | ||
| 597 | E | 80.7 | Confident | 73.5 | Confident | 116 Ų | 116 | 56.9 Ų | 56.9 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | trans | -141.3 | 143.6 | 174.5 | -63 | -170.9 | 119.6 | 0 | 0 | 110.8 | H558 | H558-E597 PolarHBondContact CE1-O 2.66Š| ||
| 598 | L | 83.1 | Confident | 71.4 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | trans | -81.5 | 134.1 | 170.1 | -56.8 | -179.3 | 0 | 0 | 0 | 109.4 | I554 I565 K568 W569 Q572 F596 E602 M603 | I554-L598 HydrophobicContact CG2-CD2 3.81Å; I565-L598 HydrophobicContact CD1-CD2 4.04Å; I565-L598 HydrophobicContact CG2-CD1 4.25Å; I565-L598 HydrophobicContact CG2-CD2 4.26Å; K568-L598 HydrophobicContact CB-CD1 4.37Å; K568-L598 HydrophobicContact CB-CG 4.47Å; K568-L598 HydrophobicContact CG-CD1 4.32Å; K568-L598 HydrophobicContact CG-CG 4Å; W569-L598 HydrophobicContact CB-CD1 3.89Å; Q572-L598 PolarHBondContact NE2-O 3.05Å; F596-L598 HydrophobicContact CE2-CD2 3.98Å; L598-E602 HydrophobicContact CB-CB 4.17Å; L598-M603 HydrophobicContact CB-CG 3.86Å; L598-M603 HydrophobicContact CB-SD 4.02Å; L598-M603 HydrophobicContact CD1-SD 4Å | ||
| 599 | S | 74.7 | Confident | 69.7 | Low | 50 Ų | 50 | 58.8 Ų | 58.8 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | trans | -68.1 | 161.2 | 171.2 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | D601 E602 M603 | S599-D601 PolarHBondContact O-N 2.75Å; S599-E602 PolarHBondContact N-OE2 3.27Å; S599-E602 PolarHBondContact O-N 3.25Å; S599-E602 VanDerWaalsContact OG-CG 3.28Å; S599-E602 WeakPolarHBondContact OG-CG 3.31Å; S599-E602 PolarHBondContact OG-N 3.46Å; S599-E602 PolarHBondContact OG-OE2 2.9Å; S599-M603 WeakPolarHBondContact O-CB 3.24Å; S599-M603 VanDerWaalsContact O-CG 3.31Å; S599-M603 WeakPolarHBondContact O-CG 3.47Å; S599-M603 PolarHBondContact O-N 3.24Å | ||
| 600 | D | 64.7 | Low | 68.5 | Low | 136 Ų | 136 | 59.1 Ų | 59.1 | 73% | 0.727 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -55.1 | -37.2 | 175.8 | -65.8 | -42.6 | 0 | 0 | 0 | 112.5 | N604 | D600-N604 PolarHBondContact O-N 2.95Å; D600-N604 PolarHBondContact O-ND2 3.4Å |
| 601 | D | 65.7 | Low | 67.7 | Low | 112 Ų | 112 | 61.5 Ų | 61.5 | 60% | 0.599 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.4 | -51 | 172.4 | -75.8 | -32.6 | 0 | 0 | 0 | 110.9 | S599 M603 N604 Y605 | S599-D601 PolarHBondContact O-N 2.75Å; D601-M603 PolarHBondContact O-N 3.44Å; D601-N604 CarbonylContact O-C 3.55Å; D601-N604 PolarHBondContact O-N 3.15Å; D601-N604 VanDerWaalsContact O-N 3.11Å; D601-Y605 WeakPolarHBondContact O-CB 3.37Å; D601-Y605 PolarHBondContact O-N 2.97Å |
| 602 | E | 74.1 | Confident | 67.1 | Low | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -36.4 | -178.4 | -68.8 | 162.1 | 154.3 | 0 | 0 | 112.8 | I554 K557 H558 L598 S599 N604 Y605 A606 | I554-E602 HydrophobicContact CD1-CB 4.16Å; I554-E602 HydrophobicContact CD1-CG 4.39Å; I554-E602 HydrophobicContact CG1-CB 4.5Å; I554-E602 HydrophobicContact CG1-CG 4.23Å; I554-E602 HydrophobicContact CG2-CB 4.3Å; I554-E602 HydrophobicContact CG2-CG 4.21Å; K557-E602 VanDerWaalsContact CD-OE1 3.3Å; K557-E602 WeakPolarHBondContact CD-OE1 3.34Å; K557-E602 VanDerWaalsContact CE-OE1 3.27Å; K557-E602 WeakPolarHBondContact CE-OE1 3.41Å; K557-E602 IonicContact NZ-OE1 2.8Å; K557-E602 PolarHBondContact NZ-OE1 3.5Å; H558-E602 IonicContact CD2-OE1 2.72Å; H558-E602 IonicContact CE1-OE2 3.97Å; H558-E602 VanDerWaalsContact NE2-CD 3.27Å; H558-E602 IonicContact NE2-OE1 3.84Å; H558-E602 PolarHBondContact NE2-OE1 3.12Å; H558-E602 IonicContact NE2-OE2 2.93Å; H558-E602 PolarHBondContact NE2-OE2 3.12Å; L598-E602 HydrophobicContact CB-CB 4.17Å; S599-E602 PolarHBondContact N-OE2 3.27Å; S599-E602 PolarHBondContact O-N 3.25Å; S599-E602 VanDerWaalsContact OG-CG 3.28Å; S599-E602 WeakPolarHBondContact OG-CG 3.31Å; S599-E602 PolarHBondContact OG-N 3.46Å; S599-E602 PolarHBondContact OG-OE2 2.9Å; E602-N604 PolarHBondContact O-N 3.41Å; E602-Y605 PolarHBondContact O-N 3.41Å; E602-A606 PolarHBondContact O-N 3.05Å |
| 603 | M | 74.5 | Confident | 66.8 | Low | 18 Ų | 18 | 60.4 Ų | 60.4 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -27 | 172.7 | -73.8 | -73.4 | -80.7 | 0 | 0 | 112.3 | W569 Q572 R573 L598 S599 D601 | W569-M603 PolarHBondContact NE1-O 3.36Å; Q572-M603 HydrophobicContact CB-CE 3.38Å; Q572-M603 HydrophobicContact CB-SD 3.87Å; Q572-M603 WeakPolarHBondContact O-CE 3.49Å; R573-M603 HydrophobicContact CG-CE 3.98Å; R573-M603 PolarHBondContact NH2-O 3.46Å; L598-M603 HydrophobicContact CB-CG 3.86Å; L598-M603 HydrophobicContact CB-SD 4.02Å; L598-M603 HydrophobicContact CD1-SD 4Å; S599-M603 WeakPolarHBondContact O-CB 3.24Å; S599-M603 VanDerWaalsContact O-CG 3.31Å; S599-M603 WeakPolarHBondContact O-CG 3.47Å; S599-M603 PolarHBondContact O-N 3.24Å; D601-M603 PolarHBondContact O-N 3.44Å |
| 604 | N | 58.3 | Low | 66.8 | Low | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -97.8 | -32.7 | 174.3 | -75 | -67.3 | 0 | 0 | 0 | 113.8 | D600 D601 E602 A606 M607 | D600-N604 PolarHBondContact O-N 2.95Å; D600-N604 PolarHBondContact O-ND2 3.4Å; D601-N604 CarbonylContact O-C 3.55Å; D601-N604 PolarHBondContact O-N 3.15Å; D601-N604 VanDerWaalsContact O-N 3.11Å; E602-N604 PolarHBondContact O-N 3.41Å; N604-A606 PolarHBondContact O-N 3.44Å; N604-M607 WeakPolarHBondContact O-CB 3.37Å; N604-M607 WeakPolarHBondContact O-CG 3.18Å; N604-M607 PolarHBondContact O-N 2.95Å |
| 605 | Y | 51.4 | Low | 66.9 | Low | 151 Ų | 151 | 60.8 Ų | 60.8 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -71.9 | -30.9 | -171.2 | -171.1 | -92.9 | 0 | 0 | 0 | 113.2 | I554 D601 E602 M607 | I554-Y605 HydrophobicContact CD1-CD1 4.21Å; D601-Y605 WeakPolarHBondContact O-CB 3.37Å; D601-Y605 PolarHBondContact O-N 2.97Å; E602-Y605 PolarHBondContact O-N 3.41Å; Y605-M607 PolarHBondContact O-N 2.95Å; Y605-M607 VanDerWaalsContact O-N 3.15Å |
| 606 | A | 39.7 | Very low | 67.1 | Low | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -6.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I498 V551 I554 E602 N604 | I498-A606 HydrophobicContact CD1-CB 3.53Å; I498-A606 WeakPolarHBondContact CD1-O 3.27Å; V551-A606 HydrophobicContact CG2-CB 4.4Å; I554-A606 HydrophobicContact CD1-CB 3.96Å; E602-A606 PolarHBondContact O-N 3.05Å; N604-A606 PolarHBondContact O-N 3.44Å |
| 607 | M | 41.8 | Very low | 66.8 | Low | 43 Ų | 43 | 59 Ų | 59 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -72.8 | 123.7 | 171 | -61.1 | -84.3 | -89.2 | 0 | 0 | 109.5 | F503 W569 N604 Y605 S609 K610 | F503-M607 HydrophobicContact CE2-CE 3.99Å; F503-M607 HydrophobicContact CE2-SD 4.49Å; F503-M607 HydrophobicContact CZ-CE 4.13Å; F503-M607 HydrophobicContact CZ-SD 4.19Å; W569-M607 HydrophobicContact CZ2-SD 3.91Å; N604-M607 WeakPolarHBondContact O-CB 3.37Å; N604-M607 WeakPolarHBondContact O-CG 3.18Å; N604-M607 PolarHBondContact O-N 2.95Å; Y605-M607 PolarHBondContact O-N 2.95Å; Y605-M607 VanDerWaalsContact O-N 3.15Å; M607-S609 PolarHBondContact O-N 3.3Å; M607-K610 HydrophobicContact CE-CG 4.43Å |
| 608 | P | 42.6 | Very low | 66.9 | Low | 65 Ų | 65 | 54.1 Ų | 54.1 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | trans | -57.2 | 135 | 167.3 | 25.9 | -34 | 0 | 0 | 0 | 108.9 | Y499 K610 | Y499-P608 HydrophobicContact CD1-CG 4.26Å; Y499-P608 HydrophobicContact CE1-CG 4.31Å; P608-K610 WeakPolarHBondContact O-CA 3.39Å; P608-K610 PolarHBondContact O-N 3.41Å | ||
| 609 | S | 44.2 | Very low | 66.8 | Low | 47 Ų | 47 | 56.5 Ų | 56.5 | 33% | 0.329 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -34.5 | 102.8 | -170.7 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | M607 C611 | M607-S609 PolarHBondContact O-N 3.3Å; S609-C611 PolarHBondContact O-N 2.9Å; S609-C611 VanDerWaalsContact O-N 3.08Å; S609-C611 PolarHBondContact O-SG 2.85Å |
| 610 | K | 61.6 | Low | 67.6 | Low | 64 Ų | 64 | 54.1 Ų | 54.1 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | trans | -42.3 | 115.2 | -155.9 | -69.4 | -170.6 | -179.7 | -178.7 | 0 | 111.6 | M607 P608 L622 F905 | M607-K610 HydrophobicContact CE-CG 4.43Å; P608-K610 WeakPolarHBondContact O-CA 3.39Å; P608-K610 PolarHBondContact O-N 3.41Å; K610-L622 HydrophobicContact CB-CD1 3.79Å; K610-L622 WeakPolarHBondContact O-CB 3.39Å; K610-L622 WeakPolarHBondContact O-CD1 3.41Å; K610-L622 VanDerWaalsContact O-CG 3.3Å; K610-L622 WeakPolarHBondContact O-CG 3.29Å; K610-L622 PolarHBondContact O-N 3.02Å; K610-F905 HydrophobicContact CB-CE1 3.93Å; K610-F905 HydrophobicContact CB-CZ 4.29Å; K610-F905 HydrophobicContact CD-CD1 3.98Å; K610-F905 HydrophobicContact CD-CE1 3.95Å; K610-F905 HydrophobicContact CG-CD1 4.23Å; K610-F905 HydrophobicContact CG-CE1 4.02Å | ||
| 611 | C | 73.9 | Confident | 68.8 | Low | 53 Ų | 53 | 48.2 Ų | 48.2 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.7 | -176.7 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | S609 P619 M620 | S609-C611 PolarHBondContact O-N 2.9Å; S609-C611 VanDerWaalsContact O-N 3.08Å; S609-C611 PolarHBondContact O-SG 2.85Å; C611-P619 HydrophobicContact CB-CB 3.86Å; C611-M620 CarbonylContact C-O 3.6Å; C611-M620 VanDerWaalsContact CA-O 3.31Å; C611-M620 WeakPolarHBondContact CA-O 3.48Å |
| 612 | V | 73.3 | Confident | 69.9 | Low | 29 Ų | 29 | 43.5 Ų | 43.5 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.2 | 158.5 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | L614 M620 L622 I887 | V612-L614 PolarHBondContact O-N 3.08Å; V612-M620 PolarHBondContact N-O 3.39Å; V612-M620 PolarHBondContact O-N 3.5Å; V612-L622 HydrophobicContact CG2-CD2 3.52Å; V612-L622 HydrophobicContact CG2-CG 3.94Å; V612-I887 HydrophobicContact CB-CD1 4.23Å; V612-I887 HydrophobicContact CB-CG1 4.31Å; V612-I887 HydrophobicContact CG2-CD1 4.36Å; V612-I887 HydrophobicContact CG2-CG1 3.94Å |
| 613 | T | 79.7 | Confident | 70.8 | Confident | 96 Ų | 96 | 43.3 Ų | 43.3 | 59% | 0.589 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 115.8 | 171.9 | -55.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 614 | L | 85.2 | Confident | 71.7 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | trans | -62.7 | 155.8 | 170.9 | -58.8 | -174.1 | 0 | 0 | 0 | 110.3 | V612 N616 G617 L618 M620 F681 H801 S826 | V612-L614 PolarHBondContact O-N 3.08Å; L614-N616 WeakPolarHBondContact CB-OD1 3.4Å; L614-N616 PolarHBondContact O-N 2.83Å; L614-G617 PolarHBondContact O-N 2.84Å; L614-L618 HydrophobicContact CB-CB 4.36Å; L614-L618 WeakPolarHBondContact CB-O 3.35Å; L614-L618 HydrophobicContact CD1-CB 4.31Å; L614-L618 HydrophobicContact CD1-CD2 4.22Å; L614-L618 WeakPolarHBondContact CG-O 3.46Å; L614-L618 PolarHBondContact N-O 3.04Å; L614-M620 HydrophobicContact CD1-CB 4.49Å; L614-M620 HydrophobicContact CD1-SD 4.36Å; L614-M620 HydrophobicContact CD2-CB 4.2Å; L614-M620 HydrophobicContact CD2-SD 3.98Å; L614-M620 HydrophobicContact CG-CB 4.16Å; L614-F681 HydrophobicContact CD1-CE2 4.16Å; L614-F681 HydrophobicContact CD1-CZ 3.93Å; L614-H801 HydrophobicContact CD1-CB 4.34Å; L614-S826 WeakPolarHBondContact CD2-OG 3.22Å | ||
| 615 | H | 77.3 | Confident | 73.5 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 38% | 0.375 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.2 | -173.1 | 76.5 | -105.9 | 0 | 0 | 0 | 115.2 | G617 K799 P800 H801 | H615-G617 VanDerWaalsContact C-N 3.34Å; H615-K799 PolarHBondContact CE1-O 3.39Å; H615-P800 PolarHBondContact CE1-O 3.41Å; H615-H801 AromaticContact CE1-CD2 3.63Å; H615-H801 AromaticContact CE1-CG 3.56Å; H615-H801 AromaticContact CE1-ND1 3.84Å; H615-H801 AromaticContact CE1-NE2 3.97Å; H615-H801 AromaticContact NE2-CD2 3.83Å; H615-H801 AromaticContact NE2-NE2 3.8Å |
| 616 | N | 80.7 | Confident | 75.4 | Confident | 63 Ų | 63 | 32.6 Ų | 32.6 | 34% | 0.337 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 6.7 | 171.3 | 68.8 | -16.2 | 0 | 0 | 0 | 113.6 | L614 L618 R777 H801 | L614-N616 WeakPolarHBondContact CB-OD1 3.4Å; L614-N616 PolarHBondContact O-N 2.83Å; N616-L618 VanDerWaalsContact OD1-CB 3.22Å; N616-L618 WeakPolarHBondContact OD1-CB 3.44Å; N616-L618 PolarHBondContact OD1-N 3.44Å; N616-L618 VanDerWaalsContact OD1-N 3.17Å; N616-R777 PolarHBondContact ND2-O 2.83Å; N616-H801 PolarHBondContact ND2-CD2 3.13Å; N616-H801 PolarHBondContact ND2-NE2 2.9Å |
| 617 | G | 76.2 | Confident | 77.9 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 84.9 | 3.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L614 H615 P619 | L614-G617 PolarHBondContact O-N 2.84Å; H615-G617 VanDerWaalsContact C-N 3.34Å; G617-P619 WeakPolarHBondContact O-CD 3.32Å |
| 618 | L | 81.5 | Confident | 79.9 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | trans | -81.7 | 120.9 | -179.4 | -173.3 | 68.5 | 0 | 0 | 0 | 110.8 | L614 N616 F681 D713 R777 | L614-L618 HydrophobicContact CB-CB 4.36Å; L614-L618 WeakPolarHBondContact CB-O 3.35Å; L614-L618 HydrophobicContact CD1-CB 4.31Å; L614-L618 HydrophobicContact CD1-CD2 4.22Å; L614-L618 WeakPolarHBondContact CG-O 3.46Å; L614-L618 PolarHBondContact N-O 3.04Å; N616-L618 VanDerWaalsContact OD1-CB 3.22Å; N616-L618 WeakPolarHBondContact OD1-CB 3.44Å; N616-L618 PolarHBondContact OD1-N 3.44Å; N616-L618 VanDerWaalsContact OD1-N 3.17Å; L618-F681 HydrophobicContact CD2-CE2 3.67Å; L618-F681 HydrophobicContact CD2-CZ 4.29Å; L618-F681 HydrophobicContact CG-CE2 3.93Å; L618-D713 HydrophobicContact CD2-CB 4.37Å; L618-R777 VanDerWaalsContact CD1-CZ 3.42Å; L618-R777 HydrophobicContact CD2-CB 3.86Å | ||
| 619 | P | 81.8 | Confident | 81.4 | Confident | 57 Ų | 57 | 33.7 Ų | 33.7 | 37% | 0.37 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 128.2 | 177.4 | 29.3 | -33.9 | 0 | 0 | 0 | 111.6 | C611 G617 F681 | C611-P619 HydrophobicContact CB-CB 3.86Å; G617-P619 WeakPolarHBondContact O-CD 3.32Å; P619-F681 WeakPolarHBondContact O-CD2 3.37Å |
| 620 | M | 91.9 | Very high | 83.1 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.3 | 177.6 | -174.5 | 169.5 | 178.9 | 0 | 0 | 109.5 | C611 V612 L614 H649 F681 L714 I887 | C611-M620 CarbonylContact C-O 3.6Å; C611-M620 VanDerWaalsContact CA-O 3.31Å; C611-M620 WeakPolarHBondContact CA-O 3.48Å; V612-M620 PolarHBondContact N-O 3.39Å; V612-M620 PolarHBondContact O-N 3.5Å; L614-M620 HydrophobicContact CD1-CB 4.49Å; L614-M620 HydrophobicContact CD1-SD 4.36Å; L614-M620 HydrophobicContact CD2-CB 4.2Å; L614-M620 HydrophobicContact CD2-SD 3.98Å; L614-M620 HydrophobicContact CG-CB 4.16Å; M620-H649 WeakPolarHBondContact CE-CE1 3.09Å; M620-F681 HydrophobicContact CB-CD2 4.07Å; M620-F681 HydrophobicContact CB-CE1 4.42Å; M620-F681 HydrophobicContact CB-CE2 3.66Å; M620-F681 HydrophobicContact CB-CZ 3.87Å; M620-F681 HydrophobicContact CE-CD1 4.36Å; M620-F681 HydrophobicContact CE-CE1 3.73Å; M620-F681 HydrophobicContact CE-CZ 4.27Å; M620-F681 HydrophobicContact CG-CD1 3.99Å; M620-F681 HydrophobicContact CG-CD2 4.16Å; M620-F681 HydrophobicContact CG-CE1 3.67Å; M620-F681 HydrophobicContact CG-CE2 3.83Å; M620-F681 HydrophobicContact CG-CG 4.24Å; M620-F681 HydrophobicContact CG-CZ 3.59Å; M620-F681 HydrophobicContact SD-CD1 4.47Å; M620-F681 HydrophobicContact SD-CE1 3.63Å; M620-F681 HydrophobicContact SD-CE2 4.32Å; M620-F681 HydrophobicContact SD-CZ 3.54Å; M620-F681 VanDerWaalsContact SD-CZ 3.54Å; M620-L714 HydrophobicContact CE-CD2 3.68Å; M620-L714 HydrophobicContact SD-CD2 3.99Å; M620-I887 HydrophobicContact CB-CD1 4.46Å; M620-I887 HydrophobicContact CE-CD1 4.13Å; M620-I887 HydrophobicContact CE-CG2 4.45Å; M620-I887 HydrophobicContact CG-CD1 3.98Å; M620-I887 HydrophobicContact SD-CD1 3.71Å |
| 621 | P | 89.5 | Confident | 84.1 | Confident | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.071 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 138.6 | -179.4 | -26.6 | 33.7 | 0 | 0 | 0 | 113.1 | V623 R648 H649 I887 | P621-V623 PolarHBondContact O-N 2.87Å; P621-R648 HydrophobicContact CG-CB 4.3Å; P621-H649 HydrophobicContact CB-CB 4.04Å; P621-H649 HydrophobicContact CG-CB 4.09Å; P621-I887 WeakPolarHBondContact O-CG2 3.16Å |
| 622 | L | 89 | Confident | 84.7 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -66 | -17.7 | 178.4 | -84.7 | 163.8 | 0 | 0 | 0 | 114.2 | K610 V612 I882 I887 V888 | K610-L622 HydrophobicContact CB-CD1 3.79Å; K610-L622 WeakPolarHBondContact O-CB 3.39Å; K610-L622 WeakPolarHBondContact O-CD1 3.41Å; K610-L622 VanDerWaalsContact O-CG 3.3Å; K610-L622 WeakPolarHBondContact O-CG 3.29Å; K610-L622 PolarHBondContact O-N 3.02Å; V612-L622 HydrophobicContact CG2-CD2 3.52Å; V612-L622 HydrophobicContact CG2-CG 3.94Å; L622-I882 HydrophobicContact CD1-CG2 4.26Å; L622-I887 HydrophobicContact CD2-CG1 4.1Å; L622-V888 WeakPolarHBondContact O-CG2 3.27Å; L622-V888 PolarHBondContact O-N 3.38Å |
| 623 | V | 93.5 | Very high | 85.2 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -126.9 | 108.4 | -175.9 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | P621 Y647 I882 V888 F902 L904 F905 | P621-V623 PolarHBondContact O-N 2.87Å; V623-Y647 HydrophobicContact CG1-CD1 4.39Å; V623-Y647 HydrophobicContact CG1-CE1 3.67Å; V623-I882 HydrophobicContact CG2-CD1 3.79Å; V623-V888 HydrophobicContact CG2-CG2 4.2Å; V623-F902 HydrophobicContact CG1-CD2 4.09Å; V623-L904 HydrophobicContact CG1-CD1 4.33Å; V623-L904 HydrophobicContact CG2-CD1 3.91Å; V623-F905 HydrophobicContact CG2-CE2 4.04Å; V623-F905 HydrophobicContact CG2-CZ 3.77Å |
| 624 | G | 93.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 160.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y647 H649 V888 I889 P890 | G624-Y647 WeakPolarHBondContact O-CE1 3.27Å; G624-H649 CarbonylContact C-O 3.54Å; G624-H649 WeakPolarHBondContact CA-O 3.3Å; G624-V888 PolarHBondContact N-O 3.26Å; G624-I889 WeakPolarHBondContact O-CA 3.48Å; G624-P890 WeakPolarHBondContact O-CD 3.46Å |
| 625 | Y | 94.9 | Very high | 85.8 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 107.7 | -179.6 | -178.3 | -98.9 | 0 | 0 | 0 | 109.8 | T627 L635 G638 L639 A642 H649 D651 S892 I898 | Y625-T627 HydrophobicContact CD1-CG2 3.96Å; Y625-T627 HydrophobicContact CE1-CG2 4.03Å; Y625-L635 HydrophobicContact CE1-CD1 4.08Å; Y625-G638 WeakPolarHBondContact OH-CA 3.33Å; Y625-L639 HydrophobicContact CD1-CD1 3.82Å; Y625-L639 HydrophobicContact CE1-CB 3.98Å; Y625-L639 HydrophobicContact CE1-CD1 3.93Å; Y625-L639 PolarHBondContact OH-N 3.01Å; Y625-A642 HydrophobicContact CD1-CB 4.48Å; Y625-A642 HydrophobicContact CD2-CB 3.48Å; Y625-A642 VanDerWaalsContact CD2-CB 3.48Å; Y625-A642 HydrophobicContact CE2-CB 3.78Å; Y625-A642 HydrophobicContact CG-CB 3.86Å; Y625-H649 PolarHBondContact N-O 3.23Å; Y625-D651 PolarHBondContact O-N 2.78Å; Y625-S892 VanDerWaalsContact CE2-O 3.31Å; Y625-S892 WeakPolarHBondContact CE2-O 3.46Å; Y625-S892 PolarHBondContact OH-O 3.43Å; Y625-I898 HydrophobicContact CE2-CD1 4.12Å; Y625-I898 HydrophobicContact CE2-CG1 4.24Å |
| 626 | G | 92.2 | Very high | 86.6 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P890 K891 | G626-P890 PolarHBondContact N-O 2.95Å; G626-K891 VanDerWaalsContact O-CB 3.27Å; G626-K891 WeakPolarHBondContact O-CB 3.22Å; G626-K891 WeakPolarHBondContact O-CG 3.38Å |
| 627 | T | 92.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -106.5 | -0.8 | -175.1 | 69.1 | 0 | 0 | 0 | 0 | 115.2 | Y625 Q629 G630 L635 I650 D651 T652 N658 I662 | Y625-T627 HydrophobicContact CD1-CG2 3.96Å; Y625-T627 HydrophobicContact CE1-CG2 4.03Å; T627-Q629 PolarHBondContact O-N 3.11Å; T627-G630 WeakPolarHBondContact O-CA 3.46Å; T627-G630 PolarHBondContact O-N 3Å; T627-L635 HydrophobicContact CG2-CD1 4.18Å; T627-I650 HydrophobicContact CG2-CG2 4.24Å; T627-D651 WeakPolarHBondContact CG2-O 3.29Å; T627-D651 PolarHBondContact N-O 3.19Å; T627-D651 PolarHBondContact OG1-O 2.95Å; T627-T652 WeakPolarHBondContact OG1-CA 3.34Å; T627-T652 VanDerWaalsContact OG1-CB 3.24Å; T627-T652 WeakPolarHBondContact OG1-CB 3.49Å; T627-T652 PolarHBondContact OG1-OG1 2.71Å; T627-N658 PolarHBondContact O-ND2 3.3Å; T627-I662 HydrophobicContact CG2-CD1 3.74Å; T627-I662 HydrophobicContact CG2-CG1 4.36Å | ||
| 628 | W | 84.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 32 Ų | 32 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 135.1 | -179.9 | 178.6 | 68.9 | 0 | 0 | 0 | 112.4 | G630 Y656 D736 R838 K891 | W628-G630 PolarHBondContact O-N 3.25Å; W628-G630 VanDerWaalsContact O-N 3.11Å; W628-Y656 HydrophobicContact CB-CD2 4.3Å; W628-Y656 HydrophobicContact CB-CE1 4.25Å; W628-Y656 HydrophobicContact CB-CE2 3.91Å; W628-Y656 AromaticContact CD1-CD1 3.68Å; W628-Y656 AromaticContact CD1-CE1 3.45Å; W628-Y656 VanDerWaalsContact CD1-CE1 3.45Å; W628-Y656 AromaticContact CD1-CZ 3.97Å; W628-Y656 HydrophobicContact CG-CE1 4.17Å; W628-D736 WeakPolarHBondContact CZ2-OD1 3.37Å; W628-R838 HydrophobicContact CH2-CG 4.01Å; W628-R838 HydrophobicContact CZ3-CG 4.49Å; W628-K891 WeakPolarHBondContact O-CD 3.45Å; W628-K891 WeakPolarHBondContact O-CE 3.36Å; W628-K891 PolarHBondContact O-NZ 3.2Å |
| 629 | Q | 73.7 | Confident | 88.5 | Confident | 82 Ų | 82 | 31.3 Ų | 31.3 | 38% | 0.383 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 23.5 | -168.5 | -62.9 | -179.4 | -12.7 | 0 | 0 | 114.2 | T627 K891 | T627-Q629 PolarHBondContact O-N 3.11Å; Q629-K891 PolarHBondContact O-NZ 3.44Å |
| 630 | G | 79.7 | Confident | 89.1 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | -89.6 | 122.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | T627 W628 L635 N658 | T627-G630 WeakPolarHBondContact O-CA 3.46Å; T627-G630 PolarHBondContact O-N 3Å; W628-G630 PolarHBondContact O-N 3.25Å; W628-G630 VanDerWaalsContact O-N 3.11Å; G630-L635 WeakPolarHBondContact O-CD2 3.41Å; G630-N658 WeakPolarHBondContact O-CB 3.27Å; G630-N658 PolarHBondContact O-ND2 3.11Å | ||
| 631 | Q | 83 | Confident | 89.1 | Confident | 95 Ų | 95 | 35.5 Ų | 35.5 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | trans | -142.5 | 158.1 | 177.6 | -82.5 | -63.9 | -4.4 | 0 | 0 | 111.1 | L635 Y656 E657 | Q631-L635 PolarHBondContact O-N 2.68Å; Q631-Y656 PolarHBondContact NE2-O 3.07Å; Q631-E657 PolarHBondContact NE2-O 3.43Å | ||
| 632 | G | 87 | Confident | 89.2 | Confident | 34 Ų | 34 | 35 Ų | 35 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | 55.1 | -153.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A634 L635 R636 | G632-A634 PolarHBondContact O-N 3.17Å; G632-L635 PolarHBondContact O-N 3.35Å; G632-L635 VanDerWaalsContact O-N 3.12Å; G632-R636 PolarHBondContact O-N 2.92Å; G632-R636 VanDerWaalsContact O-N 3.09Å |
| 633 | D | 83.4 | Confident | 89.3 | Confident | 105 Ų | 105 | 34.4 Ų | 34.4 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -67.7 | -19 | -175.6 | -68.4 | -56.1 | 0 | 0 | 0 | 114.3 | R636 S637 | D633-R636 PolarHBondContact O-N 3.2Å; D633-R636 IonicContact OD1-CZ 3.74Å; D633-R636 IonicContact OD1-NE 3.99Å; D633-R636 IonicContact OD1-NH1 2.74Å; D633-R636 PolarHBondContact OD1-NH1 3.05Å; D633-S637 WeakPolarHBondContact O-CB 3.21Å; D633-S637 PolarHBondContact O-N 3.36Å; D633-S637 PolarHBondContact O-OG 3.24Å |
| 634 | A | 84.6 | Confident | 88.8 | Confident | 50 Ų | 50 | 40.6 Ų | 40.6 | 41% | 0.413 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.3 | -39.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G632 S637 G638 T893 | G632-A634 PolarHBondContact O-N 3.17Å; A634-S637 PolarHBondContact O-OG 2.86Å; A634-G638 PolarHBondContact O-N 2.97Å; A634-G638 VanDerWaalsContact O-N 3.13Å; A634-T893 HydrophobicContact CB-CG2 4.15Å; A634-T893 WeakPolarHBondContact O-CB 3.47Å; A634-T893 VanDerWaalsContact O-CG2 3.26Å; A634-T893 WeakPolarHBondContact O-CG2 3.39Å |
| 635 | L | 93.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.8 | -44.5 | 169.1 | 174.6 | 62.1 | 0 | 0 | 0 | 111 | Y625 T627 G630 Q631 G632 S637 G638 L639 N658 I661 I662 | Y625-L635 HydrophobicContact CE1-CD1 4.08Å; T627-L635 HydrophobicContact CG2-CD1 4.18Å; G630-L635 WeakPolarHBondContact O-CD2 3.41Å; Q631-L635 PolarHBondContact O-N 2.68Å; G632-L635 PolarHBondContact O-N 3.35Å; G632-L635 VanDerWaalsContact O-N 3.12Å; L635-S637 VanDerWaalsContact C-N 3.32Å; L635-S637 PolarHBondContact O-N 2.89Å; L635-G638 PolarHBondContact O-N 2.84Å; L635-L639 HydrophobicContact CD1-CB 4.5Å; L635-L639 WeakPolarHBondContact O-CB 3.43Å; L635-L639 PolarHBondContact O-N 2.96Å; L635-N658 HydrophobicContact CD2-CB 3.72Å; L635-I661 HydrophobicContact CD2-CB 4.31Å; L635-I661 HydrophobicContact CD2-CG2 4.21Å; L635-I661 HydrophobicContact CG-CG2 4.36Å; L635-I662 HydrophobicContact CD2-CG1 4.21Å |
| 636 | R | 93.7 | Very high | 87.8 | Confident | 74 Ų | 74 | 42.8 Ų | 42.8 | 28% | 0.279 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.4 | -39.7 | -176.4 | -161.3 | -175.2 | -94.7 | 144.3 | -12.6 | 112.3 | G632 D633 K640 I661 E664 V665 | G632-R636 PolarHBondContact O-N 2.92Å; G632-R636 VanDerWaalsContact O-N 3.09Å; D633-R636 PolarHBondContact O-N 3.2Å; D633-R636 IonicContact OD1-CZ 3.74Å; D633-R636 IonicContact OD1-NE 3.99Å; D633-R636 IonicContact OD1-NH1 2.74Å; D633-R636 PolarHBondContact OD1-NH1 3.05Å; R636-K640 VanDerWaalsContact O-CG 3.32Å; R636-K640 WeakPolarHBondContact O-CG 3.24Å; R636-K640 PolarHBondContact O-N 3.16Å; R636-I661 HydrophobicContact CB-CG2 4.01Å; R636-I661 HydrophobicContact CG-CG2 4.32Å; R636-E664 IonicContact CZ-OE2 3.52Å; R636-E664 IonicContact NE-OE2 3.26Å; R636-E664 IonicContact NH2-OE2 2.8Å; R636-E664 PolarHBondContact NH2-OE2 3.17Å; R636-V665 HydrophobicContact CB-CG2 4.38Å; R636-V665 HydrophobicContact CG-CG2 3.57Å |
| 637 | S | 89.6 | Confident | 87.7 | Confident | 64 Ų | 64 | 42.6 Ų | 42.6 | 45% | 0.448 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76.3 | -44.1 | 174.9 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | D633 A634 L635 L639 K640 K641 | D633-S637 WeakPolarHBondContact O-CB 3.21Å; D633-S637 PolarHBondContact O-N 3.36Å; D633-S637 PolarHBondContact O-OG 3.24Å; A634-S637 PolarHBondContact O-OG 2.86Å; L635-S637 VanDerWaalsContact C-N 3.32Å; L635-S637 PolarHBondContact O-N 2.89Å; S637-L639 PolarHBondContact O-N 2.92Å; S637-K640 PolarHBondContact O-N 2.85Å; S637-K641 PolarHBondContact O-N 3.05Å |
| 638 | G | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y625 A634 L635 K640 K641 A642 I898 | Y625-G638 WeakPolarHBondContact OH-CA 3.33Å; A634-G638 PolarHBondContact O-N 2.97Å; A634-G638 VanDerWaalsContact O-N 3.13Å; L635-G638 PolarHBondContact O-N 2.84Å; G638-K640 PolarHBondContact O-N 3.15Å; G638-K641 PolarHBondContact O-N 3.04Å; G638-A642 PolarHBondContact O-N 3.46Å; G638-I898 WeakPolarHBondContact O-CD1 3.45Å |
| 639 | L | 96 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 179.1 | 178.7 | 59.1 | 0 | 0 | 0 | 112.1 | Y625 L635 S637 K641 A642 L643 I650 I662 V665 | Y625-L639 HydrophobicContact CD1-CD1 3.82Å; Y625-L639 HydrophobicContact CE1-CB 3.98Å; Y625-L639 HydrophobicContact CE1-CD1 3.93Å; Y625-L639 PolarHBondContact OH-N 3.01Å; L635-L639 HydrophobicContact CD1-CB 4.5Å; L635-L639 WeakPolarHBondContact O-CB 3.43Å; L635-L639 PolarHBondContact O-N 2.96Å; S637-L639 PolarHBondContact O-N 2.92Å; L639-K641 VanDerWaalsContact C-N 3.33Å; L639-K641 PolarHBondContact O-N 3.04Å; L639-A642 PolarHBondContact O-N 2.99Å; L639-L643 HydrophobicContact CD1-CD1 4.39Å; L639-L643 HydrophobicContact CD1-CG 4.36Å; L639-L643 HydrophobicContact CG-CD1 4.29Å; L639-L643 WeakPolarHBondContact O-CG 3.38Å; L639-L643 PolarHBondContact O-N 2.83Å; L639-I650 HydrophobicContact CD1-CD1 3.61Å; L639-I650 HydrophobicContact CD1-CG1 4.39Å; L639-I650 HydrophobicContact CD1-CG2 4.43Å; L639-I662 HydrophobicContact CD2-CB 4.16Å; L639-I662 HydrophobicContact CD2-CG1 4.11Å; L639-I662 HydrophobicContact CD2-CG2 3.96Å; L639-V665 HydrophobicContact CB-CG1 4.26Å; L639-V665 HydrophobicContact CD2-CB 3.79Å; L639-V665 HydrophobicContact CD2-CG1 3.82Å; L639-V665 HydrophobicContact CD2-CG2 4.33Å; L639-V665 HydrophobicContact CG-CB 4.27Å; L639-V665 HydrophobicContact CG-CG1 3.74Å |
| 640 | K | 92.9 | Very high | 89.4 | Confident | 94 Ų | 94 | 39.3 Ų | 39.3 | 41% | 0.409 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 171.8 | -78.2 | -177.8 | 177.8 | -168.9 | 0 | 111.3 | R636 S637 G638 A642 L643 E644 V665 Q668 | R636-K640 VanDerWaalsContact O-CG 3.32Å; R636-K640 WeakPolarHBondContact O-CG 3.24Å; R636-K640 PolarHBondContact O-N 3.16Å; S637-K640 PolarHBondContact O-N 2.85Å; G638-K640 PolarHBondContact O-N 3.15Å; K640-A642 PolarHBondContact O-N 3.27Å; K640-L643 PolarHBondContact O-N 3.26Å; K640-E644 WeakPolarHBondContact O-CB 3.43Å; K640-E644 PolarHBondContact O-N 3.11Å; K640-V665 HydrophobicContact CG-CG1 3.61Å; K640-V665 HydrophobicContact CG-CG2 4.39Å; K640-Q668 VanDerWaalsContact CE-OE1 3.26Å |
| 641 | K | 92 | Very high | 90.2 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 23% | 0.226 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -35.5 | 177 | -170.5 | 54.4 | 167.8 | -176.6 | 0 | 112.7 | S637 G638 L639 E644 V645 P895 I898 | S637-K641 PolarHBondContact O-N 3.05Å; G638-K641 PolarHBondContact O-N 3.04Å; L639-K641 VanDerWaalsContact C-N 3.33Å; L639-K641 PolarHBondContact O-N 3.04Å; K641-E644 HydrophobicContact CD-CB 4.43Å; K641-E644 WeakPolarHBondContact CD-OE2 3.36Å; K641-E644 IonicContact NZ-OE1 2.73Å; K641-E644 PolarHBondContact NZ-OE1 2.9Å; K641-E644 IonicContact NZ-OE2 3.63Å; K641-E644 PolarHBondContact NZ-OE2 2.95Å; K641-E644 PolarHBondContact O-N 3.02Å; K641-V645 HydrophobicContact CD-CG2 4.07Å; K641-V645 HydrophobicContact CG-CG2 4.2Å; K641-V645 VanDerWaalsContact O-CB 3.3Å; K641-V645 WeakPolarHBondContact O-CB 3.49Å; K641-V645 WeakPolarHBondContact O-CG2 3.37Å; K641-V645 PolarHBondContact O-N 3.27Å; K641-P895 HydrophobicContact CG-CB 4.12Å; K641-I898 HydrophobicContact CB-CD1 4.39Å; K641-I898 HydrophobicContact CG-CG2 4.41Å |
| 642 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y625 G638 L639 K640 E644 V645 G646 Y647 I898 | Y625-A642 HydrophobicContact CD1-CB 4.48Å; Y625-A642 HydrophobicContact CD2-CB 3.48Å; Y625-A642 VanDerWaalsContact CD2-CB 3.48Å; Y625-A642 HydrophobicContact CE2-CB 3.78Å; Y625-A642 HydrophobicContact CG-CB 3.86Å; G638-A642 PolarHBondContact O-N 3.46Å; L639-A642 PolarHBondContact O-N 2.99Å; K640-A642 PolarHBondContact O-N 3.27Å; A642-E644 PolarHBondContact O-N 3.39Å; A642-V645 PolarHBondContact O-N 3.5Å; A642-G646 PolarHBondContact O-N 3.12Å; A642-G646 VanDerWaalsContact O-N 3.11Å; A642-Y647 HydrophobicContact CB-CD2 3.76Å; A642-Y647 HydrophobicContact CB-CE2 4.48Å; A642-Y647 HydrophobicContact CB-CG 4.02Å; A642-Y647 WeakPolarHBondContact O-CB 3.37Å; A642-Y647 WeakPolarHBondContact O-CD2 3.02Å; A642-Y647 PolarHBondContact O-N 2.83Å; A642-I898 HydrophobicContact CB-CG2 3.97Å |
| 643 | L | 90.4 | Very high | 91 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 176.1 | -67.9 | 165.9 | 0 | 0 | 0 | 112.1 | L639 K640 G646 R648 I650 V665 L666 W669 L680 | L639-L643 HydrophobicContact CD1-CD1 4.39Å; L639-L643 HydrophobicContact CD1-CG 4.36Å; L639-L643 HydrophobicContact CG-CD1 4.29Å; L639-L643 WeakPolarHBondContact O-CG 3.38Å; L639-L643 PolarHBondContact O-N 2.83Å; K640-L643 PolarHBondContact O-N 3.26Å; L643-G646 PolarHBondContact O-N 3.49Å; L643-R648 PolarHBondContact O-NH1 3.41Å; L643-I650 HydrophobicContact CD2-CD1 4.44Å; L643-V665 HydrophobicContact CD1-CG1 3.9Å; L643-L666 HydrophobicContact CD1-CD2 3.98Å; L643-L666 HydrophobicContact CD2-CD2 4.39Å; L643-W669 HydrophobicContact CD1-CB 4.13Å; L643-W669 HydrophobicContact CD1-CD2 4.26Å; L643-W669 HydrophobicContact CD1-CG 3.96Å; L643-W669 HydrophobicContact CD2-CD2 4.29Å; L643-W669 HydrophobicContact CD2-CE3 4.41Å; L643-L680 HydrophobicContact CD2-CD1 4.48Å; L643-L680 HydrophobicContact CD2-CD2 3.77Å |
| 644 | E | 84.1 | Confident | 91.3 | Very high | 136 Ų | 136 | 29.2 Ų | 29.2 | 64% | 0.636 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -62 | -43.4 | 174.3 | -167.9 | -150.4 | 131.8 | 0 | 0 | 112.2 | K640 K641 A642 G646 | K640-E644 WeakPolarHBondContact O-CB 3.43Å; K640-E644 PolarHBondContact O-N 3.11Å; K641-E644 HydrophobicContact CD-CB 4.43Å; K641-E644 WeakPolarHBondContact CD-OE2 3.36Å; K641-E644 IonicContact NZ-OE1 2.73Å; K641-E644 PolarHBondContact NZ-OE1 2.9Å; K641-E644 IonicContact NZ-OE2 3.63Å; K641-E644 PolarHBondContact NZ-OE2 2.95Å; K641-E644 PolarHBondContact O-N 3.02Å; A642-E644 PolarHBondContact O-N 3.39Å; E644-G646 VanDerWaalsContact C-N 3.32Å; E644-G646 PolarHBondContact O-N 2.85Å |
| 645 | V | 82.2 | Confident | 91.1 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.8 | -24 | -179.3 | 163.4 | 0 | 0 | 0 | 0 | 113.3 | K641 A642 Y647 V899 F902 | K641-V645 HydrophobicContact CD-CG2 4.07Å; K641-V645 HydrophobicContact CG-CG2 4.2Å; K641-V645 VanDerWaalsContact O-CB 3.3Å; K641-V645 WeakPolarHBondContact O-CB 3.49Å; K641-V645 WeakPolarHBondContact O-CG2 3.37Å; K641-V645 PolarHBondContact O-N 3.27Å; A642-V645 PolarHBondContact O-N 3.5Å; V645-Y647 HydrophobicContact CG1-CD2 4.33Å; V645-Y647 HydrophobicContact CG1-CE2 4.33Å; V645-V899 HydrophobicContact CG2-CG2 3.64Å; V645-F902 HydrophobicContact CG1-CB 3.62Å; V645-F902 HydrophobicContact CG1-CD1 3.69Å; V645-F902 HydrophobicContact CG1-CG 3.75Å; V645-F902 WeakPolarHBondContact O-CD1 3.49Å; V645-F902 WeakPolarHBondContact O-CE1 3.04Å |
| 646 | G | 83.6 | Confident | 90.8 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 17% | 0.165 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 122.4 | 3.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A642 L643 E644 R648 F902 | A642-G646 PolarHBondContact O-N 3.12Å; A642-G646 VanDerWaalsContact O-N 3.11Å; L643-G646 PolarHBondContact O-N 3.49Å; E644-G646 VanDerWaalsContact C-N 3.32Å; E644-G646 PolarHBondContact O-N 2.85Å; G646-R648 PolarHBondContact O-N 2.75Å; G646-F902 VanDerWaalsContact O-CZ 3.27Å; G646-F902 WeakPolarHBondContact O-CZ 3.25Å |
| 647 | Y | 91.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | trans | -59.8 | 131.5 | 172.5 | -76.9 | -96.7 | 0 | 0 | 0 | 110.4 | V623 G624 A642 V645 I898 N901 F902 | V623-Y647 HydrophobicContact CG1-CD1 4.39Å; V623-Y647 HydrophobicContact CG1-CE1 3.67Å; G624-Y647 WeakPolarHBondContact O-CE1 3.27Å; A642-Y647 HydrophobicContact CB-CD2 3.76Å; A642-Y647 HydrophobicContact CB-CE2 4.48Å; A642-Y647 HydrophobicContact CB-CG 4.02Å; A642-Y647 WeakPolarHBondContact O-CB 3.37Å; A642-Y647 WeakPolarHBondContact O-CD2 3.02Å; A642-Y647 PolarHBondContact O-N 2.83Å; V645-Y647 HydrophobicContact CG1-CD2 4.33Å; V645-Y647 HydrophobicContact CG1-CE2 4.33Å; Y647-I898 HydrophobicContact CD2-CG2 4.3Å; Y647-I898 HydrophobicContact CE2-CG2 3.85Å; Y647-N901 WeakPolarHBondContact OH-CB 3.35Å; Y647-F902 HydrophobicContact CD1-CD2 4.26Å; Y647-F902 HydrophobicContact CD2-CB 4.48Å; Y647-F902 AromaticContact CD2-CD2 3.78Å; Y647-F902 HydrophobicContact CD2-CD2 3.78Å; Y647-F902 HydrophobicContact CD2-CE2 4.34Å; Y647-F902 HydrophobicContact CD2-CG 4.3Å; Y647-F902 HydrophobicContact CE1-CD2 4.21Å; Y647-F902 HydrophobicContact CE2-CB 3.79Å; Y647-F902 AromaticContact CE2-CD2 3.71Å; Y647-F902 HydrophobicContact CE2-CD2 3.71Å; Y647-F902 HydrophobicContact CE2-CG 4.05Å; Y647-F902 HydrophobicContact CG-CD2 4.07Å; Y647-F902 HydrophobicContact CG-CE2 4.29Å; Y647-F902 AromaticContact CZ-CD2 3.93Å | ||
| 648 | R | 91.8 | Very high | 90.6 | Very high | 64 Ų | 64 | 28.7 Ų | 28.7 | 24% | 0.242 | 14% | 0.136 | C | C | . | . | trans | -123.6 | -20.1 | 176.2 | -62.7 | -59.8 | 173.8 | -103 | 3.9 | 113.8 | P621 L643 G646 D679 L680 F681 | P621-R648 HydrophobicContact CG-CB 4.3Å; L643-R648 PolarHBondContact O-NH1 3.41Å; G646-R648 PolarHBondContact O-N 2.75Å; R648-D679 WeakPolarHBondContact CB-O 3.45Å; R648-D679 WeakPolarHBondContact CD-O 3.38Å; R648-L680 HydrophobicContact CB-CD2 4.5Å; R648-L680 WeakPolarHBondContact O-CA 3.34Å; R648-F681 PolarHBondContact O-N 3.2Å | ||
| 649 | H | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.3 | 167.2 | 174.5 | -152.8 | 0 | 0 | 0 | 110.2 | M620 P621 G624 Y625 F681 T683 | M620-H649 WeakPolarHBondContact CE-CE1 3.09Å; P621-H649 HydrophobicContact CB-CB 4.04Å; P621-H649 HydrophobicContact CG-CB 4.09Å; G624-H649 CarbonylContact C-O 3.54Å; G624-H649 WeakPolarHBondContact CA-O 3.3Å; Y625-H649 PolarHBondContact N-O 3.23Å; H649-F681 VanDerWaalsContact CA-O 3.3Å; H649-F681 WeakPolarHBondContact CA-O 3.43Å; H649-F681 HydrophobicContact CB-CB 4.38Å; H649-F681 AromaticContact CD2-CD1 3.65Å; H649-F681 PolarHBondContact CD2-O 2.89Å; H649-T683 PolarHBondContact NE2-OG1 2.87Å |
| 650 | I | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124 | 174.1 | -51.5 | -56.8 | 0 | 0 | 0 | 108.7 | T627 L639 L643 I662 F681 T683 | T627-I650 HydrophobicContact CG2-CG2 4.24Å; L639-I650 HydrophobicContact CD1-CD1 3.61Å; L639-I650 HydrophobicContact CD1-CG1 4.39Å; L639-I650 HydrophobicContact CD1-CG2 4.43Å; L643-I650 HydrophobicContact CD2-CD1 4.44Å; I650-I662 HydrophobicContact CG2-CG2 4.27Å; I650-F681 PolarHBondContact N-O 2.86Å; I650-T683 PolarHBondContact O-N 2.9Å |
| 651 | D | 97.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.2 | 179 | -172.7 | -118 | 0 | 0 | 0 | 112.4 | Y625 T627 T683 K685 Q804 I889 | Y625-D651 PolarHBondContact O-N 2.78Å; T627-D651 WeakPolarHBondContact CG2-O 3.29Å; T627-D651 PolarHBondContact N-O 3.19Å; T627-D651 PolarHBondContact OG1-O 2.95Å; D651-T683 WeakPolarHBondContact OD2-CB 3.5Å; D651-T683 VanDerWaalsContact OD2-CG2 3.23Å; D651-T683 WeakPolarHBondContact OD2-CG2 3.38Å; D651-K685 IonicContact OD1-NZ 2.83Å; D651-K685 PolarHBondContact OD1-NZ 2.95Å; D651-K685 IonicContact OD2-NZ 3.26Å; D651-K685 PolarHBondContact OD2-NZ 3.45Å; D651-Q804 PolarHBondContact OD1-NE2 2.97Å; D651-Q804 PolarHBondContact OD2-OE1 3.24Å; D651-I889 HydrophobicContact CB-CD1 4.1Å; D651-I889 HydrophobicContact CB-CG2 4.16Å; D651-I889 VanDerWaalsContact OD1-CD1 3.28Å; D651-I889 WeakPolarHBondContact OD1-CD1 3.36Å |
| 652 | T | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -138.4 | -172.4 | 176.6 | -165 | 0 | 0 | 0 | 0 | 111.9 | T627 N658 E659 I662 T683 T684 K685 L707 | T627-T652 WeakPolarHBondContact OG1-CA 3.34Å; T627-T652 VanDerWaalsContact OG1-CB 3.24Å; T627-T652 WeakPolarHBondContact OG1-CB 3.49Å; T627-T652 PolarHBondContact OG1-OG1 2.71Å; T652-N658 PolarHBondContact OG1-OD1 2.79Å; T652-E659 HydrophobicContact CG2-CG 4Å; T652-I662 HydrophobicContact CG2-CD1 3.92Å; T652-I662 WeakPolarHBondContact OG1-CD1 3.49Å; T652-T683 WeakPolarHBondContact CG2-O 3.45Å; T652-T683 PolarHBondContact N-O 3.21Å; T652-T684 WeakPolarHBondContact O-CA 3.44Å; T652-K685 WeakPolarHBondContact O-CG 3.22Å; T652-K685 PolarHBondContact O-NZ 3.45Å; T652-L707 HydrophobicContact CG2-CD2 4.14Å | ||
| 653 | A | 91.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -157.7 | 151.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V655 Y656 T684 K685 | A653-V655 HydrophobicContact CB-CG2 3.96Å; A653-V655 PolarHBondContact O-N 3.46Å; A653-V655 VanDerWaalsContact O-N 3.11Å; A653-Y656 HydrophobicContact CB-CD1 3.98Å; A653-Y656 HydrophobicContact CB-CD2 3.94Å; A653-Y656 HydrophobicContact CB-CE1 3.88Å; A653-Y656 HydrophobicContact CB-CE2 3.83Å; A653-Y656 HydrophobicContact CB-CG 4Å; A653-Y656 VanDerWaalsContact N-CD2 3.29Å; A653-Y656 WeakPolarHBondContact O-CB 3.34Å; A653-Y656 PolarHBondContact O-N 3.28Å; A653-T684 WeakPolarHBondContact CA-OG1 3.27Å; A653-K685 HydrophobicContact CB-CB 3.8Å; A653-K685 HydrophobicContact CB-CD 4.08Å; A653-K685 HydrophobicContact CB-CG 3.84Å | ||
| 654 | Y | 88.6 | Confident | 91.4 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 8% | 0.078 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -48.4 | -39.9 | 172.3 | -176.6 | -86.4 | 0 | 0 | 0 | 113.4 | Y656 E657 E659 T684 P687 E702 R706 | Y654-Y656 VanDerWaalsContact C-N 3.26Å; Y654-Y656 PolarHBondContact O-N 3.35Å; Y654-E657 PolarHBondContact O-N 3.11Å; Y654-E659 WeakPolarHBondContact CA-OE2 3.35Å; Y654-T684 PolarHBondContact N-OG1 3.48Å; Y654-P687 HydrophobicContact CD1-CB 4.34Å; Y654-P687 HydrophobicContact CD1-CG 3.85Å; Y654-P687 HydrophobicContact CE1-CG 4.37Å; Y654-P687 HydrophobicContact CG-CG 4.27Å; Y654-E702 HydrophobicContact CE2-CB 3.83Å; Y654-E702 WeakPolarHBondContact CE2-OE2 3.21Å; Y654-E702 PolarHBondContact OH-OE2 3.15Å; Y654-R706 PolarHBondContact O-NH1 3.2Å; Y654-R706 PolarHBondContact OH-NH2 2.9Å |
| 655 | V | 80.7 | Confident | 92 | Very high | 33 Ų | 33 | 22.8 Ų | 22.8 | 20% | 0.2 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -73.9 | -4 | 179.6 | -98.4 | 0 | 0 | 0 | 0 | 115 | A653 P687 M733 | A653-V655 HydrophobicContact CB-CG2 3.96Å; A653-V655 PolarHBondContact O-N 3.46Å; A653-V655 VanDerWaalsContact O-N 3.11Å; V655-P687 HydrophobicContact CG1-CB 4.08Å; V655-M733 HydrophobicContact CG1-CE 3.76Å; V655-M733 HydrophobicContact CG1-SD 3.57Å; V655-M733 VanDerWaalsContact CG1-SD 3.57Å |
| 656 | Y | 86.7 | Confident | 92.7 | Very high | 38 Ų | 38 | 21.2 Ų | 21.2 | 15% | 0.149 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -87.6 | -8.4 | 173.6 | -58.6 | -14 | 0 | 0 | 0 | 112.7 | W628 Q631 A653 Y654 N658 H718 | W628-Y656 HydrophobicContact CB-CD2 4.3Å; W628-Y656 HydrophobicContact CB-CE1 4.25Å; W628-Y656 HydrophobicContact CB-CE2 3.91Å; W628-Y656 AromaticContact CD1-CD1 3.68Å; W628-Y656 AromaticContact CD1-CE1 3.45Å; W628-Y656 VanDerWaalsContact CD1-CE1 3.45Å; W628-Y656 AromaticContact CD1-CZ 3.97Å; W628-Y656 HydrophobicContact CG-CE1 4.17Å; Q631-Y656 PolarHBondContact NE2-O 3.07Å; A653-Y656 HydrophobicContact CB-CD1 3.98Å; A653-Y656 HydrophobicContact CB-CD2 3.94Å; A653-Y656 HydrophobicContact CB-CE1 3.88Å; A653-Y656 HydrophobicContact CB-CE2 3.83Å; A653-Y656 HydrophobicContact CB-CG 4Å; A653-Y656 VanDerWaalsContact N-CD2 3.29Å; A653-Y656 WeakPolarHBondContact O-CB 3.34Å; A653-Y656 PolarHBondContact O-N 3.28Å; Y654-Y656 VanDerWaalsContact C-N 3.26Å; Y654-Y656 PolarHBondContact O-N 3.35Å; Y656-N658 PolarHBondContact O-N 2.91Å; Y656-H718 AromaticContact CE1-CE1 3.89Å |
| 657 | E | 87.7 | Confident | 93.2 | Very high | 105 Ų | 105 | 24.5 Ų | 24.5 | 49% | 0.491 | 12% | 0.115 | S | C | . | . | S | Bend | trans | 44.5 | 39 | -179.9 | -59.9 | -155.6 | 138.5 | 0 | 0 | 113.9 | Q631 Y654 K730 | Q631-E657 PolarHBondContact NE2-O 3.43Å; Y654-E657 PolarHBondContact O-N 3.11Å; E657-K730 IonicContact OE1-NZ 3.63Å; E657-K730 PolarHBondContact OE1-NZ 2.85Å |
| 658 | N | 92.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | trans | -131.6 | 3.7 | 179.5 | 68.1 | 11.8 | 0 | 0 | 0 | 114 | T627 G630 L635 T652 Y656 D660 I661 I662 | T627-N658 PolarHBondContact O-ND2 3.3Å; G630-N658 WeakPolarHBondContact O-CB 3.27Å; G630-N658 PolarHBondContact O-ND2 3.11Å; L635-N658 HydrophobicContact CD2-CB 3.72Å; T652-N658 PolarHBondContact OG1-OD1 2.79Å; Y656-N658 PolarHBondContact O-N 2.91Å; N658-D660 PolarHBondContact O-N 3.44Å; N658-I661 PolarHBondContact O-N 3.03Å; N658-I661 VanDerWaalsContact O-N 3.11Å; N658-I662 WeakPolarHBondContact O-CG1 3.46Å; N658-I662 PolarHBondContact O-N 3.17Å; N658-I662 VanDerWaalsContact O-N 3.13Å; N658-I662 WeakPolarHBondContact OD1-CD1 3.27Å | ||
| 659 | E | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58 | -34.4 | -179.7 | -70.4 | -174.4 | 134.2 | 0 | 0 | 112.7 | T652 Y654 I662 G663 T684 R706 L707 | T652-E659 HydrophobicContact CG2-CG 4Å; Y654-E659 WeakPolarHBondContact CA-OE2 3.35Å; E659-I662 WeakPolarHBondContact O-CB 3.13Å; E659-I662 PolarHBondContact O-N 3.12Å; E659-G663 PolarHBondContact O-N 2.89Å; E659-T684 WeakPolarHBondContact OE1-CB 3.45Å; E659-T684 PolarHBondContact OE1-OG1 2.84Å; E659-R706 HydrophobicContact CB-CB 3.61Å; E659-R706 IonicContact OE2-NH1 3.57Å; E659-L707 HydrophobicContact CB-CD2 3.85Å; E659-L707 HydrophobicContact CB-CG 4.02Å; E659-L707 HydrophobicContact CG-CD2 4.01Å; E659-L707 HydrophobicContact CG-CG 4.21Å |
| 660 | D | 94.8 | Very high | 92.8 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 36% | 0.364 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 176.1 | -60.1 | -91 | 0 | 0 | 0 | 113 | N658 G663 E664 R706 | N658-D660 PolarHBondContact O-N 3.44Å; D660-G663 PolarHBondContact O-N 2.71Å; D660-E664 WeakPolarHBondContact O-CG 3.34Å; D660-E664 PolarHBondContact O-N 2.95Å; D660-R706 WeakPolarHBondContact CA-O 3.48Å; D660-R706 WeakPolarHBondContact OD1-CG 3.24Å; D660-R706 WeakPolarHBondContact OD2-CD 3.34Å; D660-R706 WeakPolarHBondContact OD2-CG 3.42Å |
| 661 | I | 93.8 | Very high | 92.2 | Very high | 25 Ų | 25 | 33 Ų | 33 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.1 | -39.8 | 176.8 | -57.3 | 176.1 | 0 | 0 | 0 | 109.8 | L635 R636 N658 E664 V665 | L635-I661 HydrophobicContact CD2-CB 4.31Å; L635-I661 HydrophobicContact CD2-CG2 4.21Å; L635-I661 HydrophobicContact CG-CG2 4.36Å; R636-I661 HydrophobicContact CB-CG2 4.01Å; R636-I661 HydrophobicContact CG-CG2 4.32Å; N658-I661 PolarHBondContact O-N 3.03Å; N658-I661 VanDerWaalsContact O-N 3.11Å; I661-E664 PolarHBondContact O-N 2.73Å; I661-V665 WeakPolarHBondContact O-CG2 3.43Å; I661-V665 PolarHBondContact O-N 2.82Å; I661-V665 VanDerWaalsContact O-N 3.15Å |
| 662 | I | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -50.8 | 174.4 | -63 | 167.6 | 0 | 0 | 0 | 109.3 | T627 L635 L639 I650 T652 N658 E659 E664 V665 L666 L707 | T627-I662 HydrophobicContact CG2-CD1 3.74Å; T627-I662 HydrophobicContact CG2-CG1 4.36Å; L635-I662 HydrophobicContact CD2-CG1 4.21Å; L639-I662 HydrophobicContact CD2-CB 4.16Å; L639-I662 HydrophobicContact CD2-CG1 4.11Å; L639-I662 HydrophobicContact CD2-CG2 3.96Å; I650-I662 HydrophobicContact CG2-CG2 4.27Å; T652-I662 HydrophobicContact CG2-CD1 3.92Å; T652-I662 WeakPolarHBondContact OG1-CD1 3.49Å; N658-I662 WeakPolarHBondContact O-CG1 3.46Å; N658-I662 PolarHBondContact O-N 3.17Å; N658-I662 VanDerWaalsContact O-N 3.13Å; N658-I662 WeakPolarHBondContact OD1-CD1 3.27Å; E659-I662 WeakPolarHBondContact O-CB 3.13Å; E659-I662 PolarHBondContact O-N 3.12Å; I662-E664 VanDerWaalsContact C-N 3.34Å; I662-E664 PolarHBondContact O-N 3.19Å; I662-V665 PolarHBondContact O-N 2.82Å; I662-L666 HydrophobicContact CG2-CD1 4.17Å; I662-L666 HydrophobicContact CG2-CG 4.18Å; I662-L666 WeakPolarHBondContact O-CG 3.44Å; I662-L666 PolarHBondContact O-N 2.96Å; I662-L707 HydrophobicContact CB-CD2 4.11Å; I662-L707 HydrophobicContact CG2-CD2 3.85Å |
| 663 | G | 96 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -37.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E659 D660 Q667 L707 | E659-G663 PolarHBondContact O-N 2.89Å; D660-G663 PolarHBondContact O-N 2.71Å; G663-Q667 VanDerWaalsContact O-CB 3.3Å; G663-Q667 WeakPolarHBondContact O-CB 3.31Å; G663-Q667 VanDerWaalsContact O-CG 3.28Å; G663-Q667 WeakPolarHBondContact O-CG 3.34Å; G663-Q667 PolarHBondContact O-N 2.87Å; G663-L707 WeakPolarHBondContact CA-O 3.39Å |
| 664 | E | 94.1 | Very high | 89.6 | Confident | 66 Ų | 66 | 42.6 Ų | 42.6 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 171.1 | -75.3 | 179.3 | 179.5 | 0 | 0 | 113.2 | R636 D660 I661 I662 Q668 K708 | R636-E664 IonicContact CZ-OE2 3.52Å; R636-E664 IonicContact NE-OE2 3.26Å; R636-E664 IonicContact NH2-OE2 2.8Å; R636-E664 PolarHBondContact NH2-OE2 3.17Å; D660-E664 WeakPolarHBondContact O-CG 3.34Å; D660-E664 PolarHBondContact O-N 2.95Å; I661-E664 PolarHBondContact O-N 2.73Å; I662-E664 VanDerWaalsContact C-N 3.34Å; I662-E664 PolarHBondContact O-N 3.19Å; E664-Q668 WeakPolarHBondContact O-CB 3.34Å; E664-Q668 WeakPolarHBondContact O-CG 3.34Å; E664-Q668 PolarHBondContact O-N 2.71Å; E664-K708 IonicContact OE1-NZ 2.77Å |
| 665 | V | 96.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.4 | -41.5 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | R636 L639 K640 L643 I661 I662 Q668 W669 | R636-V665 HydrophobicContact CB-CG2 4.38Å; R636-V665 HydrophobicContact CG-CG2 3.57Å; L639-V665 HydrophobicContact CB-CG1 4.26Å; L639-V665 HydrophobicContact CD2-CB 3.79Å; L639-V665 HydrophobicContact CD2-CG1 3.82Å; L639-V665 HydrophobicContact CD2-CG2 4.33Å; L639-V665 HydrophobicContact CG-CB 4.27Å; L639-V665 HydrophobicContact CG-CG1 3.74Å; K640-V665 HydrophobicContact CG-CG1 3.61Å; K640-V665 HydrophobicContact CG-CG2 4.39Å; L643-V665 HydrophobicContact CD1-CG1 3.9Å; I661-V665 WeakPolarHBondContact O-CG2 3.43Å; I661-V665 PolarHBondContact O-N 2.82Å; I661-V665 VanDerWaalsContact O-N 3.15Å; I662-V665 PolarHBondContact O-N 2.82Å; V665-Q668 PolarHBondContact O-N 3.39Å; V665-W669 WeakPolarHBondContact O-CB 3.5Å; V665-W669 PolarHBondContact O-N 2.87Å |
| 666 | L | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 176.7 | -63.5 | -166.8 | 0 | 0 | 0 | 111.3 | L643 I662 Q668 W669 F670 L680 V682 L709 | L643-L666 HydrophobicContact CD1-CD2 3.98Å; L643-L666 HydrophobicContact CD2-CD2 4.39Å; I662-L666 HydrophobicContact CG2-CD1 4.17Å; I662-L666 HydrophobicContact CG2-CG 4.18Å; I662-L666 WeakPolarHBondContact O-CG 3.44Å; I662-L666 PolarHBondContact O-N 2.96Å; L666-Q668 PolarHBondContact O-N 3.41Å; L666-W669 WeakPolarHBondContact O-CB 3.3Å; L666-W669 PolarHBondContact O-N 2.85Å; L666-W669 VanDerWaalsContact O-N 3.12Å; L666-F670 HydrophobicContact CB-CE2 3.99Å; L666-F670 HydrophobicContact CB-CZ 4.07Å; L666-F670 VanDerWaalsContact O-CD2 3.22Å; L666-F670 WeakPolarHBondContact O-CD2 3.34Å; L666-F670 WeakPolarHBondContact O-CG 3.41Å; L666-F670 PolarHBondContact O-N 3Å; L666-L680 HydrophobicContact CD1-CD1 4.05Å; L666-L680 HydrophobicContact CD2-CD1 3.59Å; L666-L680 HydrophobicContact CG-CD1 4.34Å; L666-V682 HydrophobicContact CD1-CG2 4.33Å; L666-L709 HydrophobicContact CD1-CD1 4.3Å; L666-L709 HydrophobicContact CD1-CD2 4.34Å |
| 667 | Q | 93.9 | Very high | 89.5 | Confident | 85 Ų | 85 | 46.2 Ų | 46.2 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176.1 | -73.5 | -67.2 | -18.8 | 0 | 0 | 112.5 | G663 A671 K708 | G663-Q667 VanDerWaalsContact O-CB 3.3Å; G663-Q667 WeakPolarHBondContact O-CB 3.31Å; G663-Q667 VanDerWaalsContact O-CG 3.28Å; G663-Q667 WeakPolarHBondContact O-CG 3.34Å; G663-Q667 PolarHBondContact O-N 2.87Å; Q667-A671 WeakPolarHBondContact O-CB 3.41Å; Q667-A671 PolarHBondContact O-N 3.05Å; Q667-K708 HydrophobicContact CG-CB 3.86Å; Q667-K708 HydrophobicContact CG-CD 4.46Å; Q667-K708 PolarHBondContact NE2-O 2.81Å |
| 668 | Q | 89.8 | Confident | 89.3 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 171.7 | -74.2 | 170.9 | 26.3 | 0 | 0 | 112.4 | K640 E664 V665 L666 S672 | K640-Q668 VanDerWaalsContact CE-OE1 3.26Å; E664-Q668 WeakPolarHBondContact O-CB 3.34Å; E664-Q668 WeakPolarHBondContact O-CG 3.34Å; E664-Q668 PolarHBondContact O-N 2.71Å; V665-Q668 PolarHBondContact O-N 3.39Å; L666-Q668 PolarHBondContact O-N 3.41Å; Q668-S672 WeakPolarHBondContact O-CB 3.32Å; Q668-S672 PolarHBondContact O-N 3.45Å |
| 669 | W | 91.4 | Very high | 88.9 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.1 | -46.4 | 177.5 | -172.6 | 68 | 0 | 0 | 0 | 111.5 | L643 V665 L666 A671 S672 A674 D679 L680 | L643-W669 HydrophobicContact CD1-CB 4.13Å; L643-W669 HydrophobicContact CD1-CD2 4.26Å; L643-W669 HydrophobicContact CD1-CG 3.96Å; L643-W669 HydrophobicContact CD2-CD2 4.29Å; L643-W669 HydrophobicContact CD2-CE3 4.41Å; V665-W669 WeakPolarHBondContact O-CB 3.5Å; V665-W669 PolarHBondContact O-N 2.87Å; L666-W669 WeakPolarHBondContact O-CB 3.3Å; L666-W669 PolarHBondContact O-N 2.85Å; L666-W669 VanDerWaalsContact O-N 3.12Å; W669-A671 PolarHBondContact O-N 2.9Å; W669-S672 PolarHBondContact O-N 2.95Å; W669-S672 PolarHBondContact O-OG 2.99Å; W669-A674 WeakPolarHBondContact CZ2-O 3.37Å; W669-D679 HydrophobicContact CH2-CB 4.03Å; W669-D679 HydrophobicContact CZ3-CB 4.37Å; W669-L680 HydrophobicContact CE3-CD1 4.07Å; W669-L680 HydrophobicContact CE3-CG 4.46Å; W669-L680 HydrophobicContact CH2-CD2 3.92Å; W669-L680 HydrophobicContact CH2-CG 4.34Å; W669-L680 HydrophobicContact CZ3-CD1 3.81Å; W669-L680 HydrophobicContact CZ3-CD2 3.72Å; W669-L680 HydrophobicContact CZ3-CG 3.71Å |
| 670 | F | 90.5 | Very high | 88.6 | Confident | 38 Ų | 38 | 48 Ų | 48 | 17% | 0.167 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 173.2 | -54.8 | -34.8 | 0 | 0 | 0 | 111.7 | L666 S672 G673 K676 R677 L680 L709 | L666-F670 HydrophobicContact CB-CE2 3.99Å; L666-F670 HydrophobicContact CB-CZ 4.07Å; L666-F670 VanDerWaalsContact O-CD2 3.22Å; L666-F670 WeakPolarHBondContact O-CD2 3.34Å; L666-F670 WeakPolarHBondContact O-CG 3.41Å; L666-F670 PolarHBondContact O-N 3Å; F670-S672 PolarHBondContact O-N 3.24Å; F670-G673 PolarHBondContact O-N 3.03Å; F670-K676 WeakPolarHBondContact CE1-O 3.2Å; F670-R677 HydrophobicContact CZ-CB 4.21Å; F670-L680 HydrophobicContact CE1-CD1 3.8Å; F670-L680 HydrophobicContact CE1-CG 4.49Å; F670-L680 HydrophobicContact CZ-CD1 3.91Å; F670-L709 HydrophobicContact CE2-CD2 3.86Å; F670-L709 HydrophobicContact CZ-CD2 4.28Å |
| 671 | A | 83.4 | Confident | 88.6 | Confident | 91 Ų | 91 | 45.1 Ų | 45.1 | 75% | 0.752 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.6 | -23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q667 W669 G673 | Q667-A671 WeakPolarHBondContact O-CB 3.41Å; Q667-A671 PolarHBondContact O-N 3.05Å; W669-A671 PolarHBondContact O-N 2.9Å; A671-G673 VanDerWaalsContact C-N 3.28Å |
| 672 | S | 83.6 | Confident | 88.8 | Confident | 82 Ų | 82 | 43.9 Ų | 43.9 | 57% | 0.573 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -10.2 | 173.1 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | Q668 W669 F670 A674 | Q668-S672 WeakPolarHBondContact O-CB 3.32Å; Q668-S672 PolarHBondContact O-N 3.45Å; W669-S672 PolarHBondContact O-N 2.95Å; W669-S672 PolarHBondContact O-OG 2.99Å; F670-S672 PolarHBondContact O-N 3.24Å; S672-A674 PolarHBondContact O-N 3.18Å; S672-A674 WeakPolarHBondContact OG-CB 3.44Å; S672-A674 PolarHBondContact OG-N 3.39Å |
| 673 | G | 76.3 | Confident | 88.9 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 66% | 0.66 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | -1.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | F670 A671 G675 | F670-G673 PolarHBondContact O-N 3.03Å; A671-G673 VanDerWaalsContact C-N 3.28Å; G673-G675 PolarHBondContact O-N 2.8Å; G673-G675 VanDerWaalsContact O-N 3.16Å |
| 674 | A | 71.9 | Confident | 89 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 50% | 0.496 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -70.5 | -4.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | W669 S672 | W669-A674 WeakPolarHBondContact CZ2-O 3.37Å; S672-A674 PolarHBondContact O-N 3.18Å; S672-A674 WeakPolarHBondContact OG-CB 3.44Å; S672-A674 PolarHBondContact OG-N 3.39Å |
| 675 | G | 78.3 | Confident | 89.1 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | trans | 172.9 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G673 | G673-G675 PolarHBondContact O-N 2.8Å; G673-G675 VanDerWaalsContact O-N 3.16Å | ||
| 676 | K | 83.7 | Confident | 89 | Confident | 131 Ų | 131 | 40.8 Ų | 40.8 | 57% | 0.57 | 24% | 0.243 | S | C | * | . | trans | -122.2 | 172.3 | -175.8 | -56.8 | 175.5 | -174.5 | 171.4 | 0 | 111.3 | F670 E678 D679 | F670-K676 WeakPolarHBondContact CE1-O 3.2Å; K676-E678 WeakPolarHBondContact CB-OE2 3.47Å; K676-E678 WeakPolarHBondContact CD-OE2 3.42Å; K676-E678 PolarHBondContact O-N 2.84Å; K676-D679 WeakPolarHBondContact CB-OD2 3.23Å; K676-D679 PolarHBondContact N-OD2 3.08Å; K676-D679 WeakPolarHBondContact O-CB 3.22Å; K676-D679 PolarHBondContact O-N 3.24Å; K676-D679 VanDerWaalsContact O-N 3.13Å | ||
| 677 | R | 91.6 | Very high | 88.5 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -59 | -38.9 | 176.3 | 171.9 | 57.3 | -170.7 | 98.5 | -8.5 | 111.3 | F670 D679 L680 Y711 D713 | F670-R677 HydrophobicContact CZ-CB 4.21Å; R677-D679 PolarHBondContact O-N 3.16Å; R677-L680 PolarHBondContact NH1-O 3.31Å; R677-L680 PolarHBondContact O-N 3.03Å; R677-Y711 HydrophobicContact CG-CE1 4Å; R677-Y711 PolarHBondContact NE-O 2.74Å; R677-Y711 PolarHBondContact NH2-O 3.15Å; R677-D713 IonicContact CZ-OD2 3.89Å; R677-D713 VanDerWaalsContact CZ-OD2 3.25Å; R677-D713 IonicContact NH1-OD1 3.06Å; R677-D713 IonicContact NH1-OD2 3.41Å; R677-D713 PolarHBondContact NH1-OD2 3.37Å; R677-D713 IonicContact NH2-OD2 3.7Å; R677-D713 PolarHBondContact NH2-OD2 3.2Å |
| 678 | E | 83.2 | Confident | 87.5 | Confident | 98 Ų | 98 | 37.1 Ų | 37.1 | 46% | 0.458 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -69.4 | -12.1 | -179.1 | -40.4 | 79.1 | -101.6 | 0 | 0 | 113.8 | R541 K676 L680 | R541-E678 PolarHBondContact NE-O 3.5Å; R541-E678 PolarHBondContact NH2-O 3.15Å; R541-E678 VanDerWaalsContact NH2-O 3.09Å; K676-E678 WeakPolarHBondContact CB-OE2 3.47Å; K676-E678 WeakPolarHBondContact CD-OE2 3.42Å; K676-E678 PolarHBondContact O-N 2.84Å; E678-L680 VanDerWaalsContact C-N 3.33Å |
| 679 | D | 83.2 | Confident | 86.7 | Confident | 43 Ų | 43 | 34.6 Ų | 34.6 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -79.7 | -16.8 | 175.2 | -70.1 | -68.5 | 0 | 0 | 0 | 112.7 | R541 R648 W669 K676 R677 | R541-D679 IonicContact CZ-OD1 3.88Å; R541-D679 IonicContact NH1-OD1 3.11Å; R541-D679 PolarHBondContact NH1-OD1 2.76Å; R541-D679 VanDerWaalsContact NH2-CA 3.32Å; R541-D679 VanDerWaalsContact NH2-N 3.2Å; R541-D679 IonicContact NH2-OD1 2.81Å; R541-D679 PolarHBondContact NH2-OD1 2.8Å; R541-D679 IonicContact NH2-OD2 2.97Å; R541-D679 PolarHBondContact NH2-OD2 2.58Å; R648-D679 WeakPolarHBondContact CB-O 3.45Å; R648-D679 WeakPolarHBondContact CD-O 3.38Å; W669-D679 HydrophobicContact CH2-CB 4.03Å; W669-D679 HydrophobicContact CZ3-CB 4.37Å; K676-D679 WeakPolarHBondContact CB-OD2 3.23Å; K676-D679 PolarHBondContact N-OD2 3.08Å; K676-D679 WeakPolarHBondContact O-CB 3.22Å; K676-D679 PolarHBondContact O-N 3.24Å; K676-D679 VanDerWaalsContact O-N 3.13Å; R677-D679 PolarHBondContact O-N 3.16Å |
| 680 | L | 91.2 | Very high | 86.4 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -107.2 | 142.8 | -173.6 | -58.9 | -179.7 | 0 | 0 | 0 | 112 | L643 R648 L666 W669 F670 R677 E678 V682 D713 | L643-L680 HydrophobicContact CD2-CD1 4.48Å; L643-L680 HydrophobicContact CD2-CD2 3.77Å; R648-L680 HydrophobicContact CB-CD2 4.5Å; R648-L680 WeakPolarHBondContact O-CA 3.34Å; L666-L680 HydrophobicContact CD1-CD1 4.05Å; L666-L680 HydrophobicContact CD2-CD1 3.59Å; L666-L680 HydrophobicContact CG-CD1 4.34Å; W669-L680 HydrophobicContact CE3-CD1 4.07Å; W669-L680 HydrophobicContact CE3-CG 4.46Å; W669-L680 HydrophobicContact CH2-CD2 3.92Å; W669-L680 HydrophobicContact CH2-CG 4.34Å; W669-L680 HydrophobicContact CZ3-CD1 3.81Å; W669-L680 HydrophobicContact CZ3-CD2 3.72Å; W669-L680 HydrophobicContact CZ3-CG 3.71Å; F670-L680 HydrophobicContact CE1-CD1 3.8Å; F670-L680 HydrophobicContact CE1-CG 4.49Å; F670-L680 HydrophobicContact CZ-CD1 3.91Å; R677-L680 PolarHBondContact NH1-O 3.31Å; R677-L680 PolarHBondContact O-N 3.03Å; E678-L680 VanDerWaalsContact C-N 3.33Å; L680-V682 HydrophobicContact CB-CG2 4.07Å; L680-D713 VanDerWaalsContact O-OD2 3.05Å | ||
| 681 | F | 95.2 | Very high | 86.1 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 105 | 164.7 | -167.7 | -74.5 | 0 | 0 | 0 | 107.8 | L614 L618 P619 M620 R648 H649 I650 D713 L714 | L614-F681 HydrophobicContact CD1-CE2 4.16Å; L614-F681 HydrophobicContact CD1-CZ 3.93Å; L618-F681 HydrophobicContact CD2-CE2 3.67Å; L618-F681 HydrophobicContact CD2-CZ 4.29Å; L618-F681 HydrophobicContact CG-CE2 3.93Å; P619-F681 WeakPolarHBondContact O-CD2 3.37Å; M620-F681 HydrophobicContact CB-CD2 4.07Å; M620-F681 HydrophobicContact CB-CE1 4.42Å; M620-F681 HydrophobicContact CB-CE2 3.66Å; M620-F681 HydrophobicContact CB-CZ 3.87Å; M620-F681 HydrophobicContact CE-CD1 4.36Å; M620-F681 HydrophobicContact CE-CE1 3.73Å; M620-F681 HydrophobicContact CE-CZ 4.27Å; M620-F681 HydrophobicContact CG-CD1 3.99Å; M620-F681 HydrophobicContact CG-CD2 4.16Å; M620-F681 HydrophobicContact CG-CE1 3.67Å; M620-F681 HydrophobicContact CG-CE2 3.83Å; M620-F681 HydrophobicContact CG-CG 4.24Å; M620-F681 HydrophobicContact CG-CZ 3.59Å; M620-F681 HydrophobicContact SD-CD1 4.47Å; M620-F681 HydrophobicContact SD-CE1 3.63Å; M620-F681 HydrophobicContact SD-CE2 4.32Å; M620-F681 HydrophobicContact SD-CZ 3.54Å; M620-F681 VanDerWaalsContact SD-CZ 3.54Å; R648-F681 PolarHBondContact O-N 3.2Å; H649-F681 VanDerWaalsContact CA-O 3.3Å; H649-F681 WeakPolarHBondContact CA-O 3.43Å; H649-F681 HydrophobicContact CB-CB 4.38Å; H649-F681 AromaticContact CD2-CD1 3.65Å; H649-F681 PolarHBondContact CD2-O 2.89Å; I650-F681 PolarHBondContact N-O 2.86Å; F681-D713 WeakPolarHBondContact CA-OD2 3.46Å; F681-D713 HydrophobicContact CB-CB 4.46Å; F681-D713 HydrophobicContact CD1-CB 3.95Å; F681-D713 HydrophobicContact CD2-CB 3.71Å; F681-D713 HydrophobicContact CE1-CB 4.03Å; F681-D713 HydrophobicContact CE2-CB 3.81Å; F681-D713 HydrophobicContact CG-CB 3.78Å; F681-D713 HydrophobicContact CZ-CB 3.95Å; F681-L714 HydrophobicContact CE1-CB 3.54Å; F681-L714 HydrophobicContact CE1-CD2 4.1Å; F681-L714 HydrophobicContact CE1-CG 4.5Å; F681-L714 HydrophobicContact CZ-CB 3.73Å; F681-L714 HydrophobicContact CZ-CD2 4.39Å |
| 682 | V | 97.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.6 | -176.8 | -176 | 0 | 0 | 0 | 0 | 110.2 | L666 L680 L707 L709 V712 D713 L714 | L666-V682 HydrophobicContact CD1-CG2 4.33Å; L680-V682 HydrophobicContact CB-CG2 4.07Å; V682-L707 HydrophobicContact CG1-CD1 4.21Å; V682-L709 HydrophobicContact CB-CD1 4.19Å; V682-L709 HydrophobicContact CG1-CD1 4.02Å; V682-L709 HydrophobicContact CG2-CD1 3.89Å; V682-V712 HydrophobicContact CG1-CG1 4.28Å; V682-D713 PolarHBondContact N-OD2 3.47Å; V682-D713 PolarHBondContact O-N 2.85Å; V682-L714 PolarHBondContact O-N 2.72Å |
| 683 | T | 98.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.5 | 176.7 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | H649 I650 D651 T652 L714 L716 | H649-T683 PolarHBondContact NE2-OG1 2.87Å; I650-T683 PolarHBondContact O-N 2.9Å; D651-T683 WeakPolarHBondContact OD2-CB 3.5Å; D651-T683 VanDerWaalsContact OD2-CG2 3.23Å; D651-T683 WeakPolarHBondContact OD2-CG2 3.38Å; T652-T683 WeakPolarHBondContact CG2-O 3.45Å; T652-T683 PolarHBondContact N-O 3.21Å; T683-L714 WeakPolarHBondContact CA-O 3.46Å; T683-L714 HydrophobicContact CG2-CB 4.17Å; T683-L714 HydrophobicContact CG2-CD2 3.92Å; T683-L714 HydrophobicContact CG2-CG 4.01Å; T683-L716 HydrophobicContact CG2-CD1 3.7Å; T683-L716 HydrophobicContact CG2-CG 4.12Å |
| 684 | T | 97.9 | Very high | 86 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 171.7 | 165.4 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | T652 A653 Y654 E659 L700 L707 V712 L714 F715 L716 | T652-T684 WeakPolarHBondContact O-CA 3.44Å; A653-T684 WeakPolarHBondContact CA-OG1 3.27Å; Y654-T684 PolarHBondContact N-OG1 3.48Å; E659-T684 WeakPolarHBondContact OE1-CB 3.45Å; E659-T684 PolarHBondContact OE1-OG1 2.84Å; T684-L700 HydrophobicContact CG2-CD1 4.2Å; T684-L707 HydrophobicContact CG2-CD1 4.41Å; T684-V712 HydrophobicContact CG2-CG1 3.96Å; T684-V712 HydrophobicContact CG2-CG2 4.38Å; T684-L714 PolarHBondContact N-O 3.05Å; T684-F715 HydrophobicContact CG2-CD2 3.82Å; T684-F715 HydrophobicContact CG2-CE2 4.04Å; T684-F715 WeakPolarHBondContact O-CA 3.37Å; T684-F715 WeakPolarHBondContact O-CD2 3.38Å; T684-L716 PolarHBondContact O-N 2.89Å |
| 685 | K | 97.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 130.4 | -166.7 | -41.6 | -174.6 | 174.6 | 63.5 | 0 | 112.4 | D651 T652 A653 L716 H718 Q804 | D651-K685 IonicContact OD1-NZ 2.83Å; D651-K685 PolarHBondContact OD1-NZ 2.95Å; D651-K685 IonicContact OD2-NZ 3.26Å; D651-K685 PolarHBondContact OD2-NZ 3.45Å; T652-K685 WeakPolarHBondContact O-CG 3.22Å; T652-K685 PolarHBondContact O-NZ 3.45Å; A653-K685 HydrophobicContact CB-CB 3.8Å; A653-K685 HydrophobicContact CB-CD 4.08Å; A653-K685 HydrophobicContact CB-CG 3.84Å; K685-L716 CarbonylContact C-O 3.44Å; K685-L716 WeakPolarHBondContact CA-O 3.39Å; K685-L716 HydrophobicContact CB-CB 4.35Å; K685-L716 HydrophobicContact CD-CD1 4.38Å; K685-L716 HydrophobicContact CG-CB 4.06Å; K685-L716 HydrophobicContact CG-CD1 4.36Å; K685-H718 HydrophobicContact CB-CB 3.87Å; K685-Q804 VanDerWaalsContact CE-CD 3.4Å |
| 686 | L | 93.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 121.8 | 173.8 | -178 | 71.4 | 0 | 0 | 0 | 110.3 | N690 V696 F715 L716 H718 M767 | L686-N690 HydrophobicContact CD1-CB 3.87Å; L686-V696 HydrophobicContact CD1-CB 4.33Å; L686-V696 HydrophobicContact CD1-CG1 4.14Å; L686-V696 HydrophobicContact CD1-CG2 4.36Å; L686-V696 HydrophobicContact CD2-CG1 4.16Å; L686-V696 HydrophobicContact CD2-CG2 3.94Å; L686-F715 HydrophobicContact CB-CE1 4.05Å; L686-F715 HydrophobicContact CB-CE2 4.15Å; L686-F715 HydrophobicContact CB-CZ 3.62Å; L686-F715 HydrophobicContact CD1-CE1 4.2Å; L686-F715 HydrophobicContact CD1-CZ 3.85Å; L686-F715 HydrophobicContact CG-CZ 4.34Å; L686-L716 PolarHBondContact N-O 2.95Å; L686-H718 WeakPolarHBondContact O-CB 3.13Å; L686-H718 PolarHBondContact O-N 3.2Å; L686-H718 VanDerWaalsContact O-N 3.13Å; L686-M767 HydrophobicContact CD2-SD 4.22Å |
| 687 | P | 85.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -76.4 | 151.2 | 177.4 | 33.4 | -36 | 0 | 0 | 0 | 111.8 | Y654 V655 H689 N690 H691 S699 | Y654-P687 HydrophobicContact CD1-CB 4.34Å; Y654-P687 HydrophobicContact CD1-CG 3.85Å; Y654-P687 HydrophobicContact CE1-CG 4.37Å; Y654-P687 HydrophobicContact CG-CG 4.27Å; V655-P687 HydrophobicContact CG1-CB 4.08Å; P687-H689 PolarHBondContact O-N 2.97Å; P687-N690 HydrophobicContact CG-CB 4.27Å; P687-N690 PolarHBondContact O-N 2.82Å; P687-H691 PolarHBondContact O-CD2 2.92Å; P687-S699 VanDerWaalsContact CD-OG 3.22Å; P687-S699 WeakPolarHBondContact CD-OG 3.33Å | ||
| 688 | M | 72.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.044 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -50 | -27.8 | -177.1 | 64.7 | -158.3 | 72.5 | 0 | 0 | 115.9 | T719 L721 A723 M733 C738 | M688-T719 HydrophobicContact CB-CG2 3.97Å; M688-T719 HydrophobicContact CE-CG2 4.25Å; M688-L721 WeakPolarHBondContact CB-O 3.48Å; M688-A723 HydrophobicContact CG-CB 4.08Å; M688-A723 PolarHBondContact O-N 2.83Å; M688-M733 HydrophobicContact CE-CE 3.62Å; M688-M733 HydrophobicContact SD-CE 4.15Å; M688-C738 HydrophobicContact CE-CB 3.88Å; M688-C738 WeakPolarHBondContact SD-CA 3.46Å; M688-C738 HydrophobicContact SD-CB 3.67Å |
| 689 | H | 74.8 | Confident | 88.1 | Confident | 36 Ų | 36 | 31.1 Ų | 31.1 | 17% | 0.167 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -83.1 | -8.3 | -178.5 | 52.7 | -108 | 0 | 0 | 0 | 114.2 | P687 A723 I731 | P687-H689 PolarHBondContact O-N 2.97Å; H689-A723 HydrophobicContact CB-CB 4.38Å; H689-I731 HydrophobicContact CB-CD1 4.18Å |
| 690 | N | 85.1 | Confident | 88.7 | Confident | 13 Ų | 13 | 29 Ų | 29 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -112.1 | 25.5 | -177.4 | -70.7 | -24.5 | 0 | 0 | 0 | 113.4 | L686 P687 R692 D695 S699 | L686-N690 HydrophobicContact CD1-CB 3.87Å; P687-N690 HydrophobicContact CG-CB 4.27Å; P687-N690 PolarHBondContact O-N 2.82Å; N690-R692 VanDerWaalsContact C-N 3.28Å; N690-R692 PolarHBondContact O-N 3.22Å; N690-D695 HydrophobicContact CB-CB 3.87Å; N690-S699 VanDerWaalsContact ND2-CB 3.28Å; N690-S699 WeakPolarHBondContact ND2-CB 3.38Å; N690-S699 PolarHBondContact ND2-OG 3.04Å |
| 691 | H | 83.7 | Confident | 89 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | trans | -77.5 | 4.3 | -175 | -75.8 | -171.8 | 0 | 0 | 0 | 115.9 | P687 T719 L721 I763 | P687-H691 PolarHBondContact O-CD2 2.92Å; H691-T719 PolarHBondContact CE1-O 2.79Å; H691-T719 VanDerWaalsContact CE1-O 3.25Å; H691-L721 PolarHBondContact CE1-O 3Å; H691-L721 PolarHBondContact ND1-O 2.94Å; H691-I763 HydrophobicContact CB-CD1 4.02Å; H691-I763 HydrophobicContact CB-CG1 3.85Å; H691-I763 WeakPolarHBondContact O-CG1 3.27Å | ||
| 692 | R | 77.6 | Confident | 89 | Confident | 145 Ų | 145 | 36 Ų | 36 | 55% | 0.547 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -86 | 139.3 | 171.7 | -56.5 | 179.1 | -63.3 | -177.4 | 3 | 109.3 | N690 P694 D695 V696 | N690-R692 VanDerWaalsContact C-N 3.28Å; N690-R692 PolarHBondContact O-N 3.22Å; R692-P694 VanDerWaalsContact C-CD 3.41Å; R692-P694 VanDerWaalsContact C-N 3.32Å; R692-P694 WeakPolarHBondContact O-CD 3.45Å; R692-D695 WeakPolarHBondContact CB-OD2 3.49Å; R692-D695 IonicContact CZ-OD2 2.83Å; R692-D695 IonicContact NE-OD2 3.15Å; R692-D695 PolarHBondContact NE-OD2 2.96Å; R692-D695 IonicContact NH2-OD1 3.9Å; R692-D695 PolarHBondContact NH2-OD1 3.31Å; R692-D695 IonicContact NH2-OD2 2.84Å; R692-D695 PolarHBondContact NH2-OD2 3.3Å; R692-D695 PolarHBondContact O-N 3.28Å; R692-V696 PolarHBondContact O-N 3.35Å |
| 693 | R | 82.9 | Confident | 89 | Confident | 96 Ų | 96 | 36 Ų | 36 | 36% | 0.362 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -40.8 | -45.8 | -176.7 | -177.8 | 176.8 | -176.2 | 163.6 | 6.4 | 115.1 | F765 D769 | R693-F765 HydrophobicContact CG-CB 4.45Å; R693-D769 IonicContact CZ-OD1 2.69Å; R693-D769 IonicContact CZ-OD2 3.54Å; R693-D769 IonicContact NE-OD1 2.61Å; R693-D769 IonicContact NE-OD2 3.77Å; R693-D769 PolarHBondContact NE-OD2 2.87Å; R693-D769 VanDerWaalsContact NH2-CG 3.32Å; R693-D769 IonicContact NH2-OD1 2.8Å; R693-D769 PolarHBondContact NH2-OD1 2.93Å; R693-D769 IonicContact NH2-OD2 3.6Å; R693-D769 PolarHBondContact NH2-OD2 3.39Å |
| 694 | P | 79.8 | Confident | 88.9 | Confident | 99 Ų | 99 | 36.6 Ų | 36.6 | 64% | 0.643 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -72.5 | -30.3 | 178.5 | -16.9 | 32.8 | 0 | 0 | 0 | 114.6 | R692 V696 R698 | R692-P694 VanDerWaalsContact C-CD 3.41Å; R692-P694 VanDerWaalsContact C-N 3.32Å; R692-P694 WeakPolarHBondContact O-CD 3.45Å; P694-V696 VanDerWaalsContact C-N 3.32Å; P694-R698 PolarHBondContact O-N 3.34Å |
| 695 | D | 86.1 | Confident | 88.8 | Confident | 16 Ų | 16 | 39 Ų | 39 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.3 | -23.8 | 179.5 | -59.6 | -41.7 | 0 | 0 | 0 | 111.7 | N690 R692 E697 R698 S699 | N690-D695 HydrophobicContact CB-CB 3.87Å; R692-D695 WeakPolarHBondContact CB-OD2 3.49Å; R692-D695 IonicContact CZ-OD2 2.83Å; R692-D695 IonicContact NE-OD2 3.15Å; R692-D695 PolarHBondContact NE-OD2 2.96Å; R692-D695 IonicContact NH2-OD1 3.9Å; R692-D695 PolarHBondContact NH2-OD1 3.31Å; R692-D695 IonicContact NH2-OD2 2.84Å; R692-D695 PolarHBondContact NH2-OD2 3.3Å; R692-D695 PolarHBondContact O-N 3.28Å; D695-E697 PolarHBondContact O-N 3.19Å; D695-R698 PolarHBondContact O-N 2.64Å; D695-S699 VanDerWaalsContact O-CB 3.24Å; D695-S699 WeakPolarHBondContact O-CB 3.34Å; D695-S699 PolarHBondContact O-N 3.34Å |
| 696 | V | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 111 | L686 R692 P694 L700 F715 G766 M767 V770 | L686-V696 HydrophobicContact CD1-CB 4.33Å; L686-V696 HydrophobicContact CD1-CG1 4.14Å; L686-V696 HydrophobicContact CD1-CG2 4.36Å; L686-V696 HydrophobicContact CD2-CG1 4.16Å; L686-V696 HydrophobicContact CD2-CG2 3.94Å; R692-V696 PolarHBondContact O-N 3.35Å; P694-V696 VanDerWaalsContact C-N 3.32Å; V696-L700 PolarHBondContact O-N 3.02Å; V696-L700 VanDerWaalsContact O-N 3.07Å; V696-F715 HydrophobicContact CG1-CE1 3.82Å; V696-G766 WeakPolarHBondContact CG1-O 3.47Å; V696-M767 HydrophobicContact CG1-SD 3.76Å; V696-V770 HydrophobicContact CG1-CG1 4.34Å; V696-V770 HydrophobicContact CG1-CG2 4.42Å |
| 697 | E | 92.2 | Very high | 89 | Confident | 40 Ų | 40 | 41.1 Ų | 41.1 | 19% | 0.187 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 176 | -179.5 | 179.8 | 174.2 | 0 | 0 | 112.3 | D695 L700 K701 V770 K773 L775 | D695-E697 PolarHBondContact O-N 3.19Å; E697-L700 PolarHBondContact O-N 2.71Å; E697-K701 HydrophobicContact CG-CD 4.11Å; E697-K701 WeakPolarHBondContact O-CB 3.47Å; E697-K701 WeakPolarHBondContact O-CG 3.26Å; E697-K701 PolarHBondContact O-N 2.89Å; E697-K701 WeakPolarHBondContact OE1-CE 3.43Å; E697-K701 IonicContact OE1-NZ 3.72Å; E697-K701 PolarHBondContact OE1-NZ 3.38Å; E697-V770 VanDerWaalsContact CA-CG1 3.48Å; E697-V770 HydrophobicContact CB-CG1 3.81Å; E697-V770 HydrophobicContact CG-CG1 4.29Å; E697-K773 VanDerWaalsContact CD-NZ 3.26Å; E697-K773 IonicContact OE1-NZ 3.5Å; E697-K773 PolarHBondContact OE1-NZ 2.93Å; E697-K773 IonicContact OE2-NZ 3.6Å; E697-K773 PolarHBondContact OE2-NZ 2.58Å; E697-L775 HydrophobicContact CG-CD1 3.95Å |
| 698 | R | 91.3 | Very high | 89.5 | Confident | 141 Ų | 141 | 45.1 Ų | 45.1 | 53% | 0.532 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 177.1 | -178.8 | -170.6 | 154 | -161.2 | -12.5 | 110.9 | P694 D695 L700 K701 E702 | P694-R698 PolarHBondContact O-N 3.34Å; D695-R698 PolarHBondContact O-N 2.64Å; R698-L700 VanDerWaalsContact C-N 3.34Å; R698-L700 PolarHBondContact O-N 2.9Å; R698-K701 PolarHBondContact O-N 3.21Å; R698-E702 IonicContact CZ-OE1 2.89Å; R698-E702 IonicContact NE-OE1 3.33Å; R698-E702 PolarHBondContact NE-OE1 3.28Å; R698-E702 IonicContact NH2-OE1 3.76Å; R698-E702 PolarHBondContact NH2-OE1 3.32Å; R698-E702 PolarHBondContact O-N 3.23Å |
| 699 | S | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | -178.5 | -163.9 | 0 | 0 | 0 | 0 | 111.9 | P687 N690 D695 E702 S703 | P687-S699 VanDerWaalsContact CD-OG 3.22Å; P687-S699 WeakPolarHBondContact CD-OG 3.33Å; N690-S699 VanDerWaalsContact ND2-CB 3.28Å; N690-S699 WeakPolarHBondContact ND2-CB 3.38Å; N690-S699 PolarHBondContact ND2-OG 3.04Å; D695-S699 VanDerWaalsContact O-CB 3.24Å; D695-S699 WeakPolarHBondContact O-CB 3.34Å; D695-S699 PolarHBondContact O-N 3.34Å; S699-E702 PolarHBondContact O-N 3.29Å; S699-S703 PolarHBondContact O-N 2.83Å; S699-S703 PolarHBondContact O-OG 2.84Å |
| 700 | L | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -42.8 | 174.1 | -178.7 | 56.2 | 0 | 0 | 0 | 111.1 | T684 V696 E697 R698 E702 S703 L704 V712 F715 V770 L775 | T684-L700 HydrophobicContact CG2-CD1 4.2Å; V696-L700 PolarHBondContact O-N 3.02Å; V696-L700 VanDerWaalsContact O-N 3.07Å; E697-L700 PolarHBondContact O-N 2.71Å; R698-L700 VanDerWaalsContact C-N 3.34Å; R698-L700 PolarHBondContact O-N 2.9Å; L700-E702 VanDerWaalsContact C-N 3.35Å; L700-E702 PolarHBondContact O-N 2.96Å; L700-S703 WeakPolarHBondContact O-CB 3.17Å; L700-S703 PolarHBondContact O-N 2.85Å; L700-S703 VanDerWaalsContact O-N 3.14Å; L700-L704 HydrophobicContact CD1-CD1 4.36Å; L700-L704 HydrophobicContact CD1-CG 4.11Å; L700-L704 HydrophobicContact CG-CD1 3.99Å; L700-L704 HydrophobicContact CG-CG 4.25Å; L700-L704 WeakPolarHBondContact O-CB 3.3Å; L700-L704 VanDerWaalsContact O-CG 3.26Å; L700-L704 WeakPolarHBondContact O-CG 3.46Å; L700-L704 PolarHBondContact O-N 3.46Å; L700-V712 HydrophobicContact CD1-CG2 3.83Å; L700-F715 HydrophobicContact CB-CE1 3.94Å; L700-F715 HydrophobicContact CB-CE2 4.32Å; L700-F715 HydrophobicContact CB-CZ 3.82Å; L700-F715 HydrophobicContact CD1-CD1 4.48Å; L700-F715 HydrophobicContact CD1-CD2 3.81Å; L700-F715 HydrophobicContact CD1-CE2 3.88Å; L700-F715 HydrophobicContact CD1-CG 4.13Å; L700-F715 HydrophobicContact CD1-CZ 4.23Å; L700-F715 HydrophobicContact CD2-CD1 4.12Å; L700-F715 HydrophobicContact CD2-CE1 4.33Å; L700-F715 HydrophobicContact CD2-CG 4.38Å; L700-F715 HydrophobicContact CG-CE1 4.49Å; L700-F715 HydrophobicContact CG-CZ 4.48Å; L700-V770 HydrophobicContact CD2-CB 3.75Å; L700-V770 HydrophobicContact CD2-CG1 4.08Å; L700-V770 HydrophobicContact CD2-CG2 3.99Å; L700-L775 HydrophobicContact CD2-CB 3.59Å; L700-L775 HydrophobicContact CG-CB 4.36Å |
| 701 | K | 96.1 | Very high | 92.1 | Very high | 106 Ų | 106 | 51.7 Ų | 51.7 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 175.5 | -78.3 | 175.2 | 170.2 | 170.5 | 0 | 113.3 | E697 R698 G705 L775 | E697-K701 HydrophobicContact CG-CD 4.11Å; E697-K701 WeakPolarHBondContact O-CB 3.47Å; E697-K701 WeakPolarHBondContact O-CG 3.26Å; E697-K701 PolarHBondContact O-N 2.89Å; E697-K701 WeakPolarHBondContact OE1-CE 3.43Å; E697-K701 IonicContact OE1-NZ 3.72Å; E697-K701 PolarHBondContact OE1-NZ 3.38Å; R698-K701 PolarHBondContact O-N 3.21Å; K701-G705 PolarHBondContact O-N 2.84Å; K701-L775 HydrophobicContact CG-CD1 4.35Å |
| 702 | E | 94.9 | Very high | 92.7 | Very high | 52 Ų | 52 | 51.5 Ų | 51.5 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 171.4 | -70.7 | -179.4 | -159.6 | 0 | 0 | 111.5 | Y654 R698 S699 L700 G705 R706 | Y654-E702 HydrophobicContact CE2-CB 3.83Å; Y654-E702 WeakPolarHBondContact CE2-OE2 3.21Å; Y654-E702 PolarHBondContact OH-OE2 3.15Å; R698-E702 IonicContact CZ-OE1 2.89Å; R698-E702 IonicContact NE-OE1 3.33Å; R698-E702 PolarHBondContact NE-OE1 3.28Å; R698-E702 IonicContact NH2-OE1 3.76Å; R698-E702 PolarHBondContact NH2-OE1 3.32Å; R698-E702 PolarHBondContact O-N 3.23Å; S699-E702 PolarHBondContact O-N 3.29Å; L700-E702 VanDerWaalsContact C-N 3.35Å; L700-E702 PolarHBondContact O-N 2.96Å; E702-G705 PolarHBondContact O-N 3.14Å; E702-R706 PolarHBondContact O-N 2.96Å; E702-R706 VanDerWaalsContact O-N 3.15Å |
| 703 | S | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.8 | -46.2 | 0 | 0 | 0 | 0 | 111.8 | S699 L700 G705 R706 L707 | S699-S703 PolarHBondContact O-N 2.83Å; S699-S703 PolarHBondContact O-OG 2.84Å; L700-S703 WeakPolarHBondContact O-CB 3.17Å; L700-S703 PolarHBondContact O-N 2.85Å; L700-S703 VanDerWaalsContact O-N 3.14Å; S703-G705 VanDerWaalsContact C-N 3.32Å; S703-G705 PolarHBondContact O-N 3.1Å; S703-R706 PolarHBondContact O-N 2.79Å; S703-L707 WeakPolarHBondContact O-CB 3.31Å; S703-L707 VanDerWaalsContact O-CG 3.3Å; S703-L707 WeakPolarHBondContact O-CG 3.23Å; S703-L707 PolarHBondContact O-N 2.77Å |
| 704 | L | 97.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -39.7 | 175.2 | -73.6 | 172.6 | 0 | 0 | 0 | 112.1 | L700 K708 L709 Y711 V712 L775 | L700-L704 HydrophobicContact CD1-CD1 4.36Å; L700-L704 HydrophobicContact CD1-CG 4.11Å; L700-L704 HydrophobicContact CG-CD1 3.99Å; L700-L704 HydrophobicContact CG-CG 4.25Å; L700-L704 WeakPolarHBondContact O-CB 3.3Å; L700-L704 VanDerWaalsContact O-CG 3.26Å; L700-L704 WeakPolarHBondContact O-CG 3.46Å; L700-L704 PolarHBondContact O-N 3.46Å; L704-K708 WeakPolarHBondContact O-CA 3.35Å; L704-K708 PolarHBondContact O-N 3.48Å; L704-L709 WeakPolarHBondContact CB-O 3.35Å; L704-L709 HydrophobicContact CD2-CB 4.38Å; L704-L709 WeakPolarHBondContact CD2-O 3.49Å; L704-L709 PolarHBondContact O-N 2.91Å; L704-L709 VanDerWaalsContact O-N 3.11Å; L704-Y711 VanDerWaalsContact CD2-C 3.43Å; L704-Y711 VanDerWaalsContact CD2-CA 3.49Å; L704-V712 HydrophobicContact CD2-CG1 3.78Å; L704-L775 HydrophobicContact CD1-CB 4.24Å; L704-L775 HydrophobicContact CD1-CD2 4.11Å |
| 705 | G | 95.3 | Very high | 95.3 | Very high | 51 Ų | 51 | 35.4 Ų | 35.4 | 53% | 0.526 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K701 E702 S703 K708 | K701-G705 PolarHBondContact O-N 2.84Å; E702-G705 PolarHBondContact O-N 3.14Å; S703-G705 VanDerWaalsContact C-N 3.32Å; S703-G705 PolarHBondContact O-N 3.1Å; G705-K708 WeakPolarHBondContact O-CG 3.41Å; G705-K708 PolarHBondContact O-N 2.82Å |
| 706 | R | 97.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 17% | 0.17 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.1 | -48.8 | 175.7 | -65.5 | -179.6 | -175.7 | 171.1 | 1.1 | 111.9 | Y654 E659 D660 E702 S703 K708 | Y654-R706 PolarHBondContact O-NH1 3.2Å; Y654-R706 PolarHBondContact OH-NH2 2.9Å; E659-R706 HydrophobicContact CB-CB 3.61Å; E659-R706 IonicContact OE2-NH1 3.57Å; D660-R706 WeakPolarHBondContact CA-O 3.48Å; D660-R706 WeakPolarHBondContact OD1-CG 3.24Å; D660-R706 WeakPolarHBondContact OD2-CD 3.34Å; D660-R706 WeakPolarHBondContact OD2-CG 3.42Å; E702-R706 PolarHBondContact O-N 2.96Å; E702-R706 VanDerWaalsContact O-N 3.15Å; S703-R706 PolarHBondContact O-N 2.79Å; R706-K708 PolarHBondContact O-N 3.45Å |
| 707 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -16.1 | 176.3 | -67.8 | 171.8 | 0 | 0 | 0 | 113.2 | T652 E659 I662 G663 V682 T684 S703 L709 V712 | T652-L707 HydrophobicContact CG2-CD2 4.14Å; E659-L707 HydrophobicContact CB-CD2 3.85Å; E659-L707 HydrophobicContact CB-CG 4.02Å; E659-L707 HydrophobicContact CG-CD2 4.01Å; E659-L707 HydrophobicContact CG-CG 4.21Å; I662-L707 HydrophobicContact CB-CD2 4.11Å; I662-L707 HydrophobicContact CG2-CD2 3.85Å; G663-L707 WeakPolarHBondContact CA-O 3.39Å; V682-L707 HydrophobicContact CG1-CD1 4.21Å; T684-L707 HydrophobicContact CG2-CD1 4.41Å; S703-L707 WeakPolarHBondContact O-CB 3.31Å; S703-L707 VanDerWaalsContact O-CG 3.3Å; S703-L707 WeakPolarHBondContact O-CG 3.23Å; S703-L707 PolarHBondContact O-N 2.77Å; L707-L709 VanDerWaalsContact C-N 3.33Å; L707-L709 HydrophobicContact CB-CD1 4.16Å; L707-L709 HydrophobicContact CB-CG 3.97Å; L707-L709 WeakPolarHBondContact O-CG 3.31Å; L707-L709 PolarHBondContact O-N 2.91Å; L707-V712 HydrophobicContact CD1-CG1 4Å |
| 708 | K | 96 | Very high | 95.7 | Very high | 83 Ų | 83 | 34.3 Ų | 34.3 | 36% | 0.361 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 44.2 | -177.8 | -61.2 | 158.5 | -169.7 | 168.6 | 0 | 111.4 | E664 Q667 L704 G705 R706 | E664-K708 IonicContact OE1-NZ 2.77Å; Q667-K708 HydrophobicContact CG-CB 3.86Å; Q667-K708 HydrophobicContact CG-CD 4.46Å; Q667-K708 PolarHBondContact NE2-O 2.81Å; L704-K708 WeakPolarHBondContact O-CA 3.35Å; L704-K708 PolarHBondContact O-N 3.48Å; G705-K708 WeakPolarHBondContact O-CG 3.41Å; G705-K708 PolarHBondContact O-N 2.82Å; R706-K708 PolarHBondContact O-N 3.45Å |
| 709 | L | 96.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | trans | -127.6 | 151.3 | -179.1 | -53.2 | -177.6 | 0 | 0 | 0 | 111.2 | L666 F670 V682 L704 L707 | L666-L709 HydrophobicContact CD1-CD1 4.3Å; L666-L709 HydrophobicContact CD1-CD2 4.34Å; F670-L709 HydrophobicContact CE2-CD2 3.86Å; F670-L709 HydrophobicContact CZ-CD2 4.28Å; V682-L709 HydrophobicContact CB-CD1 4.19Å; V682-L709 HydrophobicContact CG1-CD1 4.02Å; V682-L709 HydrophobicContact CG2-CD1 3.89Å; L704-L709 WeakPolarHBondContact CB-O 3.35Å; L704-L709 HydrophobicContact CD2-CB 4.38Å; L704-L709 WeakPolarHBondContact CD2-O 3.49Å; L704-L709 PolarHBondContact O-N 2.91Å; L704-L709 VanDerWaalsContact O-N 3.11Å; L707-L709 VanDerWaalsContact C-N 3.33Å; L707-L709 HydrophobicContact CB-CD1 4.16Å; L707-L709 HydrophobicContact CB-CG 3.97Å; L707-L709 WeakPolarHBondContact O-CG 3.31Å; L707-L709 PolarHBondContact O-N 2.91Å | ||
| 710 | D | 92.3 | Very high | 94 | Very high | 139 Ų | 139 | 28 Ų | 28 | 74% | 0.743 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -77.8 | -27.6 | 175.3 | -51.5 | -72.5 | 0 | 0 | 0 | 113.5 | ||
| 711 | Y | 97.5 | Very high | 92.4 | Very high | 44 Ų | 44 | 29.5 Ų | 29.5 | 17% | 0.173 | 15% | 0.152 | C | C | . | . | trans | -150.9 | 160 | 178.8 | 68.7 | -89.7 | 0 | 0 | 0 | 112.1 | R677 L704 G774 L775 R777 | R677-Y711 HydrophobicContact CG-CE1 4Å; R677-Y711 PolarHBondContact NE-O 2.74Å; R677-Y711 PolarHBondContact NH2-O 3.15Å; L704-Y711 VanDerWaalsContact CD2-C 3.43Å; L704-Y711 VanDerWaalsContact CD2-CA 3.49Å; Y711-G774 WeakPolarHBondContact CB-O 3.09Å; Y711-L775 WeakPolarHBondContact CA-O 3.25Å; Y711-R777 HydrophobicContact CD2-CG 3.95Å; Y711-R777 HydrophobicContact CE2-CG 4.18Å | ||
| 712 | V | 97.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -108 | 157.6 | 165.4 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | V682 T684 L700 L704 L707 F715 L775 T776 R777 | V682-V712 HydrophobicContact CG1-CG1 4.28Å; T684-V712 HydrophobicContact CG2-CG1 3.96Å; T684-V712 HydrophobicContact CG2-CG2 4.38Å; L700-V712 HydrophobicContact CD1-CG2 3.83Å; L704-V712 HydrophobicContact CD2-CG1 3.78Å; L707-V712 HydrophobicContact CD1-CG1 4Å; V712-F715 HydrophobicContact CG2-CB 4.2Å; V712-L775 PolarHBondContact N-O 3.49Å; V712-L775 VanDerWaalsContact N-O 3.11Å; V712-T776 CarbonylContact O-C 3.52Å; V712-T776 WeakPolarHBondContact O-CA 3.45Å; V712-T776 PolarHBondContact O-OG1 3.35Å; V712-R777 PolarHBondContact O-N 2.73Å |
| 713 | D | 97.7 | Very high | 89 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -84.5 | -30.2 | -178.5 | -62.3 | -82.8 | 0 | 0 | 0 | 112.1 | L618 R677 L680 F681 V682 R777 S778 | L618-D713 HydrophobicContact CD2-CB 4.37Å; R677-D713 IonicContact CZ-OD2 3.89Å; R677-D713 VanDerWaalsContact CZ-OD2 3.25Å; R677-D713 IonicContact NH1-OD1 3.06Å; R677-D713 IonicContact NH1-OD2 3.41Å; R677-D713 PolarHBondContact NH1-OD2 3.37Å; R677-D713 IonicContact NH2-OD2 3.7Å; R677-D713 PolarHBondContact NH2-OD2 3.2Å; L680-D713 VanDerWaalsContact O-OD2 3.05Å; F681-D713 WeakPolarHBondContact CA-OD2 3.46Å; F681-D713 HydrophobicContact CB-CB 4.46Å; F681-D713 HydrophobicContact CD1-CB 3.95Å; F681-D713 HydrophobicContact CD2-CB 3.71Å; F681-D713 HydrophobicContact CE1-CB 4.03Å; F681-D713 HydrophobicContact CE2-CB 3.81Å; F681-D713 HydrophobicContact CG-CB 3.78Å; F681-D713 HydrophobicContact CZ-CB 3.95Å; V682-D713 PolarHBondContact N-OD2 3.47Å; V682-D713 PolarHBondContact O-N 2.85Å; D713-R777 CarbonylContact O-C 3.59Å; D713-R777 WeakPolarHBondContact OD1-CD 3.27Å; D713-R777 IonicContact OD1-CZ 2.68Å; D713-R777 IonicContact OD1-NE 2.66Å; D713-R777 IonicContact OD1-NH1 2.59Å; D713-R777 PolarHBondContact OD1-NH1 3.18Å; D713-S778 WeakPolarHBondContact O-CB 3.26Å; D713-S778 PolarHBondContact O-N 2.9Å; D713-S778 PolarHBondContact O-OG 3.4Å |
| 714 | L | 98.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 130.2 | 176.2 | 177.3 | 61.4 | 0 | 0 | 0 | 110.6 | M620 F681 V682 T683 T684 L716 S778 N802 | M620-L714 HydrophobicContact CE-CD2 3.68Å; M620-L714 HydrophobicContact SD-CD2 3.99Å; F681-L714 HydrophobicContact CE1-CB 3.54Å; F681-L714 HydrophobicContact CE1-CD2 4.1Å; F681-L714 HydrophobicContact CE1-CG 4.5Å; F681-L714 HydrophobicContact CZ-CB 3.73Å; F681-L714 HydrophobicContact CZ-CD2 4.39Å; V682-L714 PolarHBondContact O-N 2.72Å; T683-L714 WeakPolarHBondContact CA-O 3.46Å; T683-L714 HydrophobicContact CG2-CB 4.17Å; T683-L714 HydrophobicContact CG2-CD2 3.92Å; T683-L714 HydrophobicContact CG2-CG 4.01Å; T684-L714 PolarHBondContact N-O 3.05Å; L714-L716 HydrophobicContact CD1-CD2 3.74Å; L714-L716 HydrophobicContact CD1-CG 4.39Å; L714-L716 HydrophobicContact CD2-CD1 4.33Å; L714-L716 HydrophobicContact CD2-CD2 3.95Å; L714-L716 HydrophobicContact CD2-CG 4.22Å; L714-L716 HydrophobicContact CG-CD2 3.8Å; L714-L716 HydrophobicContact CG-CG 3.98Å; L714-S778 WeakPolarHBondContact CA-OG 3.34Å; L714-S778 VanDerWaalsContact CD1-OG 3.27Å; L714-S778 WeakPolarHBondContact CD1-OG 3.4Å; L714-N802 HydrophobicContact CD1-CB 4.12Å; L714-N802 HydrophobicContact CD2-CB 3.86Å |
| 715 | F | 98.4 | Very high | 84 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.3 | 171.2 | -168.3 | -135.6 | 0 | 0 | 0 | 109.7 | T684 L686 V696 L700 V712 M767 V770 T776 S778 I779 G780 | T684-F715 HydrophobicContact CG2-CD2 3.82Å; T684-F715 HydrophobicContact CG2-CE2 4.04Å; T684-F715 WeakPolarHBondContact O-CA 3.37Å; T684-F715 WeakPolarHBondContact O-CD2 3.38Å; L686-F715 HydrophobicContact CB-CE1 4.05Å; L686-F715 HydrophobicContact CB-CE2 4.15Å; L686-F715 HydrophobicContact CB-CZ 3.62Å; L686-F715 HydrophobicContact CD1-CE1 4.2Å; L686-F715 HydrophobicContact CD1-CZ 3.85Å; L686-F715 HydrophobicContact CG-CZ 4.34Å; V696-F715 HydrophobicContact CG1-CE1 3.82Å; L700-F715 HydrophobicContact CB-CE1 3.94Å; L700-F715 HydrophobicContact CB-CE2 4.32Å; L700-F715 HydrophobicContact CB-CZ 3.82Å; L700-F715 HydrophobicContact CD1-CD1 4.48Å; L700-F715 HydrophobicContact CD1-CD2 3.81Å; L700-F715 HydrophobicContact CD1-CE2 3.88Å; L700-F715 HydrophobicContact CD1-CG 4.13Å; L700-F715 HydrophobicContact CD1-CZ 4.23Å; L700-F715 HydrophobicContact CD2-CD1 4.12Å; L700-F715 HydrophobicContact CD2-CE1 4.33Å; L700-F715 HydrophobicContact CD2-CG 4.38Å; L700-F715 HydrophobicContact CG-CE1 4.49Å; L700-F715 HydrophobicContact CG-CZ 4.48Å; V712-F715 HydrophobicContact CG2-CB 4.2Å; F715-M767 HydrophobicContact CB-CE 4.16Å; F715-M767 HydrophobicContact CD1-CE 3.54Å; F715-M767 HydrophobicContact CD1-SD 3.62Å; F715-M767 HydrophobicContact CE1-CE 4.27Å; F715-M767 HydrophobicContact CE1-SD 3.82Å; F715-M767 HydrophobicContact CG-CE 4.03Å; F715-M767 WeakPolarHBondContact O-CE 3.19Å; F715-V770 HydrophobicContact CD1-CG2 4.03Å; F715-V770 HydrophobicContact CE1-CG2 4.45Å; F715-T776 HydrophobicContact CB-CG2 4.03Å; F715-T776 PolarHBondContact N-OG1 2.93Å; F715-S778 PolarHBondContact N-O 3.09Å; F715-I779 CarbonylContact O-C 3.41Å; F715-I779 WeakPolarHBondContact O-CA 3.36Å; F715-G780 PolarHBondContact O-N 3.47Å |
| 716 | L | 97.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 143.5 | -174.8 | -59.7 | 172.9 | 0 | 0 | 0 | 112.2 | T683 T684 K685 L686 L714 H718 G780 N802 Q804 | T683-L716 HydrophobicContact CG2-CD1 3.7Å; T683-L716 HydrophobicContact CG2-CG 4.12Å; T684-L716 PolarHBondContact O-N 2.89Å; K685-L716 CarbonylContact C-O 3.44Å; K685-L716 WeakPolarHBondContact CA-O 3.39Å; K685-L716 HydrophobicContact CB-CB 4.35Å; K685-L716 HydrophobicContact CD-CD1 4.38Å; K685-L716 HydrophobicContact CG-CB 4.06Å; K685-L716 HydrophobicContact CG-CD1 4.36Å; L686-L716 PolarHBondContact N-O 2.95Å; L714-L716 HydrophobicContact CD1-CD2 3.74Å; L714-L716 HydrophobicContact CD1-CG 4.39Å; L714-L716 HydrophobicContact CD2-CD1 4.33Å; L714-L716 HydrophobicContact CD2-CD2 3.95Å; L714-L716 HydrophobicContact CD2-CG 4.22Å; L714-L716 HydrophobicContact CG-CD2 3.8Å; L714-L716 HydrophobicContact CG-CG 3.98Å; L716-H718 PolarHBondContact O-N 3.22Å; L716-G780 WeakPolarHBondContact CA-O 3.46Å; L716-G780 VanDerWaalsContact CD2-CA 3.47Å; L716-N802 HydrophobicContact CD2-CB 4.44Å; L716-Q804 HydrophobicContact CD1-CB 3.89Å |
| 717 | V | 91.7 | Very high | 78.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 114.8 | 162.6 | -174 | 0 | 0 | 0 | 0 | 108 | T719 I763 M767 G780 L781 S782 F784 | V717-T719 VanDerWaalsContact C-N 3.32Å; V717-T719 WeakPolarHBondContact CG1-O 3.38Å; V717-T719 PolarHBondContact O-N 2.64Å; V717-I763 HydrophobicContact CG1-CG2 4.22Å; V717-I763 HydrophobicContact CG2-CG2 3.48Å; V717-I763 VanDerWaalsContact CG2-CG2 3.48Å; V717-M767 HydrophobicContact CG2-CE 4.11Å; V717-M767 HydrophobicContact CG2-CG 4.1Å; V717-M767 HydrophobicContact CG2-SD 4.11Å; V717-G780 PolarHBondContact N-O 2.91Å; V717-L781 HydrophobicContact CB-CD2 4.04Å; V717-L781 HydrophobicContact CG2-CD2 3.86Å; V717-S782 WeakPolarHBondContact O-CA 3.31Å; V717-S782 WeakPolarHBondContact O-CB 3.37Å; V717-S782 PolarHBondContact O-N 2.81Å; V717-F784 HydrophobicContact CB-CE2 4.16Å; V717-F784 HydrophobicContact CB-CZ 4.43Å; V717-F784 HydrophobicContact CG1-CE2 4.03Å; V717-F784 HydrophobicContact CG1-CZ 4.03Å |
| 718 | H | 88 | Confident | 75.7 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 15% | 0.148 | 22% | 0.219 | C | C | . | . | trans | -65.4 | -31.8 | -168.6 | -169.1 | 108.4 | 0 | 0 | 0 | 113.9 | Y656 K685 L686 L716 S782 N783 | Y656-H718 AromaticContact CE1-CE1 3.89Å; K685-H718 HydrophobicContact CB-CB 3.87Å; L686-H718 WeakPolarHBondContact O-CB 3.13Å; L686-H718 PolarHBondContact O-N 3.2Å; L686-H718 VanDerWaalsContact O-N 3.13Å; L716-H718 PolarHBondContact O-N 3.22Å; H718-S782 CarbonylContact C-O 3.48Å; H718-N783 PolarHBondContact O-ND2 3.25Å | ||
| 719 | T | 79.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -156.5 | 152.1 | -179.3 | 174 | 0 | 0 | 0 | 0 | 109.6 | M688 H691 V717 L721 | M688-T719 HydrophobicContact CB-CG2 3.97Å; M688-T719 HydrophobicContact CE-CG2 4.25Å; H691-T719 PolarHBondContact CE1-O 2.79Å; H691-T719 VanDerWaalsContact CE1-O 3.25Å; V717-T719 VanDerWaalsContact C-N 3.32Å; V717-T719 WeakPolarHBondContact CG1-O 3.38Å; V717-T719 PolarHBondContact O-N 2.64Å; T719-L721 HydrophobicContact CG2-CB 4.19Å; T719-L721 PolarHBondContact O-N 2.78Å; T719-L721 PolarHBondContact OG1-N 2.93Å | ||
| 720 | P | 69.4 | Low | 70 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -65.4 | -11.4 | 170.9 | 24.9 | -35.2 | 0 | 0 | 0 | 114.8 | T755 N783 F784 | P720-T755 HydrophobicContact CB-CG2 4.2Å; P720-T755 WeakPolarHBondContact O-CG2 3.46Å; P720-N783 VanDerWaalsContact CD-O 3.3Å; P720-N783 WeakPolarHBondContact CD-O 3.47Å; P720-F784 VanDerWaalsContact CA-CZ 3.5Å; P720-F784 HydrophobicContact CB-CD1 4.17Å; P720-F784 HydrophobicContact CB-CE1 3.72Å; P720-F784 HydrophobicContact CB-CE2 4.15Å; P720-F784 HydrophobicContact CB-CZ 3.72Å |
| 721 | L | 64.2 | Low | 67.5 | Low | 32 Ų | 32 | 38.9 Ų | 38.9 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | trans | -78.1 | 136 | 179.9 | -66 | 175.7 | 0 | 0 | 0 | 112.1 | M688 H691 T719 C738 M752 | M688-L721 WeakPolarHBondContact CB-O 3.48Å; H691-L721 PolarHBondContact CE1-O 3Å; H691-L721 PolarHBondContact ND1-O 2.94Å; T719-L721 HydrophobicContact CG2-CB 4.19Å; T719-L721 PolarHBondContact O-N 2.78Å; T719-L721 PolarHBondContact OG1-N 2.93Å; L721-C738 HydrophobicContact CD1-CB 4.28Å; L721-M752 HydrophobicContact CD1-CE 4.05Å; L721-M752 HydrophobicContact CD2-CE 4.06Å; L721-M752 HydrophobicContact CG-CE 4.47Å | ||
| 722 | S | 62.3 | Low | 64.5 | Low | 25 Ų | 25 | 41.1 Ų | 41.1 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | trans | -111.7 | 137.4 | 176 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 723 | A | 56.7 | Low | 61.3 | Low | 18 Ų | 18 | 43.9 Ų | 43.9 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | trans | -126.5 | 165.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | M688 H689 | M688-A723 HydrophobicContact CG-CB 4.08Å; M688-A723 PolarHBondContact O-N 2.83Å; H689-A723 HydrophobicContact CB-CB 4.38Å | ||
| 724 | K | 47 | Very low | 58.2 | Low | 114 Ų | 114 | 47.2 Ų | 47.2 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | trans | -135.9 | 140.4 | 170.5 | -66.9 | -175.5 | -162.5 | 164.6 | 0 | 107.7 | V751 | K724-V751 HydrophobicContact CB-CG1 3.82Å; K724-V751 HydrophobicContact CB-CG2 3.98Å; K724-V751 HydrophobicContact CD-CG2 3.93Å; K724-V751 HydrophobicContact CG-CG1 3.94Å; K724-V751 HydrophobicContact CG-CG2 4.12Å | ||
| 725 | S | 42.8 | Very low | 55.2 | Low | 32 Ų | 32 | 53.3 Ų | 53.3 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | trans | -78.3 | 137.3 | 142.4 | 150.3 | 0 | 0 | 0 | 0 | 107.5 | D727 G728 K729 | S725-D727 PolarHBondContact OG-N 2.78Å; S725-D727 VanDerWaalsContact OG-N 3.16Å; S725-D727 PolarHBondContact OG-OD1 3.11Å; S725-G728 WeakPolarHBondContact OG-CA 3.33Å; S725-G728 PolarHBondContact OG-N 3.39Å; S725-K729 PolarHBondContact OG-N 3.34Å | ||
| 726 | S | 38.4 | Very low | 52 | Low | 87 Ų | 87 | 55.7 Ų | 55.7 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -84.2 | -13.4 | 174.3 | 46.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 727 | D | 42.2 | Very low | 49.1 | Very low | 84 Ų | 84 | 58.8 Ų | 58.8 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -127.2 | 1.4 | -166.9 | 69.6 | -14.4 | 0 | 0 | 0 | 114.8 | S725 K729 | S725-D727 PolarHBondContact OG-N 2.78Å; S725-D727 VanDerWaalsContact OG-N 3.16Å; S725-D727 PolarHBondContact OG-OD1 3.11Å; D727-K729 VanDerWaalsContact C-N 3.28Å; D727-K729 PolarHBondContact O-N 2.91Å; D727-K729 PolarHBondContact OD1-N 3.31Å; D727-K729 VanDerWaalsContact OD1-N 3.11Å; D727-K729 WeakPolarHBondContact OD2-CD 3.24Å; D727-K729 WeakPolarHBondContact OD2-CE 3.37Å; D727-K729 WeakPolarHBondContact OD2-CG 3.42Å; D727-K729 IonicContact OD2-NZ 2.83Å; D727-K729 PolarHBondContact OD2-NZ 3.11Å |
| 728 | G | 36.2 | Very low | 46.3 | Very low | 75 Ų | 75 | 60.3 Ų | 60.3 | 77% | 0.773 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 76.5 | 2.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S725 | S725-G728 WeakPolarHBondContact OG-CA 3.33Å; S725-G728 PolarHBondContact OG-N 3.39Å |
| 729 | K | 37.3 | Very low | 43.6 | Very low | 137 Ų | 137 | 60.4 Ų | 60.4 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | trans | -70.3 | 152.6 | 174.6 | -67.2 | -166 | -165 | 94.4 | 0 | 111.4 | S725 D727 I731 | S725-K729 PolarHBondContact OG-N 3.34Å; D727-K729 VanDerWaalsContact C-N 3.28Å; D727-K729 PolarHBondContact O-N 2.91Å; D727-K729 PolarHBondContact OD1-N 3.31Å; D727-K729 VanDerWaalsContact OD1-N 3.11Å; D727-K729 WeakPolarHBondContact OD2-CD 3.24Å; D727-K729 WeakPolarHBondContact OD2-CE 3.37Å; D727-K729 WeakPolarHBondContact OD2-CG 3.42Å; D727-K729 IonicContact OD2-NZ 2.83Å; D727-K729 PolarHBondContact OD2-NZ 3.11Å; K729-I731 PolarHBondContact O-N 2.79Å | ||
| 730 | K | 35.9 | Very low | 41.4 | Very low | 110 Ų | 110 | 61 Ų | 61 | 48% | 0.478 | 34% | 0.344 | S | S | . | . | trans | -60.3 | 125 | 167.2 | -160.3 | -165.9 | 178.7 | -144.9 | 0 | 107.7 | E657 D732 N742 | E657-K730 IonicContact OE1-NZ 3.63Å; E657-K730 PolarHBondContact OE1-NZ 2.85Å; K730-D732 IonicContact NZ-OD1 3.93Å; K730-D732 PolarHBondContact O-N 2.69Å; K730-N742 PolarHBondContact O-ND2 3.21Å | ||
| 731 | I | 38.3 | Very low | 39.8 | Very low | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | trans | -75 | 111.5 | 166.5 | -79.3 | 162.3 | 0 | 0 | 0 | 105.8 | H689 K729 M733 P740 V743 | H689-I731 HydrophobicContact CB-CD1 4.18Å; K729-I731 PolarHBondContact O-N 2.79Å; I731-M733 HydrophobicContact CG2-CG 3.78Å; I731-P740 HydrophobicContact CB-CB 4.39Å; I731-P740 HydrophobicContact CD1-CG 3.89Å; I731-P740 HydrophobicContact CG1-CB 4.06Å; I731-P740 HydrophobicContact CG1-CG 3.97Å; I731-P740 HydrophobicContact CG2-CB 3.63Å; I731-P740 HydrophobicContact CG2-CG 3.75Å; I731-V743 HydrophobicContact CG1-CG2 4.27Å | ||
| 732 | D | 34.9 | Very low | 38.4 | Very low | 91 Ų | 91 | 68.6 Ų | 68.6 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | trans | -74.9 | 133.1 | 167.3 | -78.8 | -35.6 | 0 | 0 | 0 | 108.4 | K730 D741 | K730-D732 IonicContact NZ-OD1 3.93Å; K730-D732 PolarHBondContact O-N 2.69Å; D732-D741 PolarHBondContact O-N 2.75Å | ||
| 733 | M | 30.4 | Very low | 36.9 | Very low | 58 Ų | 58 | 68.4 Ų | 68.4 | 29% | 0.286 | 38% | 0.382 | S | S | . | . | trans | -119.2 | 121.7 | -174.1 | -67.2 | -176.2 | 57.8 | 0 | 0 | 109.8 | V655 M688 I731 H737 | V655-M733 HydrophobicContact CG1-CE 3.76Å; V655-M733 HydrophobicContact CG1-SD 3.57Å; V655-M733 VanDerWaalsContact CG1-SD 3.57Å; M688-M733 HydrophobicContact CE-CE 3.62Å; M688-M733 HydrophobicContact SD-CE 4.15Å; I731-M733 HydrophobicContact CG2-CG 3.78Å; M733-H737 VanDerWaalsContact CE-O 3.32Å; M733-H737 WeakPolarHBondContact CE-O 3.37Å | ||
| 734 | V | 33.7 | Very low | 36 | Very low | 71 Ų | 71 | 71.9 Ų | 71.9 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | trans | -70.2 | 141.9 | 168.3 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | D736 H737 D741 | V734-D736 PolarHBondContact O-N 3.39Å; V734-H737 PolarHBondContact O-N 2.95Å; V734-D741 WeakPolarHBondContact CG2-OD1 3.46Å; V734-D741 VanDerWaalsContact CG2-OD2 3.29Å; V734-D741 WeakPolarHBondContact CG2-OD2 3.28Å | ||
| 735 | N | 34.5 | Very low | 35.6 | Very low | 128 Ų | 128 | 71.5 Ų | 71.5 | 68% | 0.684 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 6.7 | -157.9 | -100.6 | -67.7 | 0 | 0 | 0 | 120.3 | ||
| 736 | D | 31.1 | Very low | 35.1 | Very low | 50 Ų | 50 | 76.2 Ų | 76.2 | 27% | 0.267 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.2 | 21 | 169.1 | -136.2 | 29.6 | 0 | 0 | 0 | 113.3 | W628 V734 R838 H841 | W628-D736 WeakPolarHBondContact CZ2-OD1 3.37Å; V734-D736 PolarHBondContact O-N 3.39Å; D736-R838 IonicContact OD1-NH2 2.61Å; D736-R838 IonicContact OD2-CZ 3.07Å; D736-R838 IonicContact OD2-NH1 3.91Å; D736-R838 PolarHBondContact OD2-NH1 3.39Å; D736-R838 IonicContact OD2-NH2 2.84Å; D736-R838 PolarHBondContact OD2-NH2 3.43Å; D736-H841 WeakPolarHBondContact CB-CE1 3.18Å; D736-H841 IonicContact OD2-CE1 2.83Å |
| 737 | H | 36.4 | Very low | 35.1 | Very low | 65 Ų | 65 | 75.3 Ų | 75.3 | 30% | 0.301 | 41% | 0.406 | S | S | . | . | trans | -112.8 | 128.8 | -175.2 | -72.6 | -80.1 | 0 | 0 | 0 | 113.9 | M733 V734 V739 | M733-H737 VanDerWaalsContact CE-O 3.32Å; M733-H737 WeakPolarHBondContact CE-O 3.37Å; V734-H737 PolarHBondContact O-N 2.95Å; H737-V739 PolarHBondContact O-N 3.41Å; H737-V739 VanDerWaalsContact O-N 3.08Å | ||
| 738 | C | 32.6 | Very low | 34.8 | Very low | 33 Ų | 33 | 72.1 Ų | 72.1 | 22% | 0.223 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -80.8 | 34 | 173.6 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | M688 L721 | M688-C738 HydrophobicContact CE-CB 3.88Å; M688-C738 WeakPolarHBondContact SD-CA 3.46Å; M688-C738 HydrophobicContact SD-CB 3.67Å; L721-C738 HydrophobicContact CD1-CB 4.28Å |
| 739 | V | 32.1 | Very low | 34.6 | Very low | 34 Ų | 34 | 75.8 Ų | 75.8 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -140.3 | 137.8 | -175.1 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | H737 | H737-V739 PolarHBondContact O-N 3.41Å; H737-V739 VanDerWaalsContact O-N 3.08Å |
| 740 | P | 33.7 | Very low | 34.4 | Very low | 14 Ų | 14 | 76.9 Ų | 76.9 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | trans | -67.6 | 145.1 | 173.2 | -19.5 | 33.1 | 0 | 0 | 0 | 113.3 | I731 N742 V743 | I731-P740 HydrophobicContact CB-CB 4.39Å; I731-P740 HydrophobicContact CD1-CG 3.89Å; I731-P740 HydrophobicContact CG1-CB 4.06Å; I731-P740 HydrophobicContact CG1-CG 3.97Å; I731-P740 HydrophobicContact CG2-CB 3.63Å; I731-P740 HydrophobicContact CG2-CG 3.75Å; P740-N742 PolarHBondContact O-N 2.83Å; P740-V743 HydrophobicContact CB-CB 3.95Å; P740-V743 HydrophobicContact CB-CG2 3.75Å; P740-V743 HydrophobicContact CG-CB 4Å; P740-V743 HydrophobicContact CG-CG2 3.86Å | ||
| 741 | D | 34.7 | Very low | 34.5 | Very low | 120 Ų | 120 | 72.7 Ų | 72.7 | 64% | 0.642 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -71.6 | -19.9 | 163.5 | -86.6 | 10.7 | 0 | 0 | 0 | 112.5 | D732 V734 | D732-D741 PolarHBondContact O-N 2.75Å; V734-D741 WeakPolarHBondContact CG2-OD1 3.46Å; V734-D741 VanDerWaalsContact CG2-OD2 3.29Å; V734-D741 WeakPolarHBondContact CG2-OD2 3.28Å |
| 742 | N | 36.2 | Very low | 34.5 | Very low | 78 Ų | 78 | 73.6 Ų | 73.6 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -121 | 17.4 | -163.1 | 66.5 | 0.3 | 0 | 0 | 0 | 115.7 | K730 P740 | K730-N742 PolarHBondContact O-ND2 3.21Å; P740-N742 PolarHBondContact O-N 2.83Å |
| 743 | V | 30.6 | Very low | 34.4 | Very low | 21 Ų | 21 | 75.2 Ų | 75.2 | 13% | 0.127 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -128.2 | 132.6 | 177.2 | -175 | 0 | 0 | 0 | 0 | 110.7 | I731 P740 H745 | I731-V743 HydrophobicContact CG1-CG2 4.27Å; P740-V743 HydrophobicContact CB-CB 3.95Å; P740-V743 HydrophobicContact CB-CG2 3.75Å; P740-V743 HydrophobicContact CG-CB 4Å; P740-V743 HydrophobicContact CG-CG2 3.86Å; V743-H745 PolarHBondContact O-N 3.26Å |
| 744 | D | 37.8 | Very low | 34.9 | Very low | 92 Ų | 92 | 77.1 Ų | 77.1 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | trans | -51.2 | 133.3 | 176.7 | -173.4 | -21.1 | 0 | 0 | 0 | 111.7 | L746 E747 T748 | D744-L746 PolarHBondContact O-N 3.37Å; D744-L746 WeakPolarHBondContact OD1-CB 3.42Å; D744-L746 PolarHBondContact OD1-N 2.89Å; D744-E747 HydrophobicContact CB-CB 4.37Å; D744-E747 PolarHBondContact O-N 2.84Å; D744-T748 WeakPolarHBondContact O-CB 3.48Å; D744-T748 PolarHBondContact O-N 3.02Å; D744-T748 PolarHBondContact O-OG1 3.38Å | ||
| 745 | H | 36.9 | Very low | 35.4 | Very low | 105 Ų | 105 | 74.9 Ų | 74.9 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -27.8 | 177.4 | -64.3 | -72.6 | 0 | 0 | 0 | 112.8 | V743 T748 W749 L946 | V743-H745 PolarHBondContact O-N 3.26Å; H745-T748 WeakPolarHBondContact O-CB 3.47Å; H745-T748 PolarHBondContact O-N 2.87Å; H745-W749 PolarHBondContact O-N 2.86Å; H745-L946 HydrophobicContact CB-CD2 4.29Å |
| 746 | L | 33.7 | Very low | 36 | Very low | 132 Ų | 132 | 71.1 Ų | 71.1 | 69% | 0.691 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.6 | -41.3 | 176.3 | -147.4 | 81.7 | 0 | 0 | 0 | 111.6 | D744 W749 R750 | D744-L746 PolarHBondContact O-N 3.37Å; D744-L746 WeakPolarHBondContact OD1-CB 3.42Å; D744-L746 PolarHBondContact OD1-N 2.89Å; L746-W749 PolarHBondContact O-N 3.45Å; L746-R750 PolarHBondContact O-N 3.24Å |
| 747 | E | 37.4 | Very low | 36.9 | Very low | 68 Ų | 68 | 71.3 Ų | 71.3 | 32% | 0.318 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -76 | -32.6 | 176.1 | -157 | 65.9 | -173.4 | 0 | 0 | 110.7 | D744 W749 R750 V751 | D744-E747 HydrophobicContact CB-CB 4.37Å; D744-E747 PolarHBondContact O-N 2.84Å; E747-W749 VanDerWaalsContact C-N 3.3Å; E747-W749 PolarHBondContact O-N 3.28Å; E747-R750 WeakPolarHBondContact O-CB 3.46Å; E747-R750 PolarHBondContact O-N 3.01Å; E747-R750 IonicContact OE1-NH1 2.71Å; E747-R750 VanDerWaalsContact OE2-CD 3.22Å; E747-R750 WeakPolarHBondContact OE2-CD 3.38Å; E747-R750 IonicContact OE2-CZ 2.66Å; E747-R750 IonicContact OE2-NE 2.94Å; E747-R750 IonicContact OE2-NH1 2.64Å; E747-R750 PolarHBondContact OE2-NH1 3.12Å; E747-V751 WeakPolarHBondContact O-CB 3.45Å; E747-V751 WeakPolarHBondContact O-CG2 3.43Å; E747-V751 PolarHBondContact O-N 3Å |
| 748 | T | 36.3 | Very low | 38 | Very low | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.104 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58 | -41.1 | 168.1 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | D744 H745 R750 V751 M752 | D744-T748 WeakPolarHBondContact O-CB 3.48Å; D744-T748 PolarHBondContact O-N 3.02Å; D744-T748 PolarHBondContact O-OG1 3.38Å; H745-T748 WeakPolarHBondContact O-CB 3.47Å; H745-T748 PolarHBondContact O-N 2.87Å; T748-R750 PolarHBondContact O-N 3.38Å; T748-V751 CarbonylContact O-C 3.56Å; T748-V751 WeakPolarHBondContact O-CA 3.47Å; T748-V751 WeakPolarHBondContact O-CB 3.23Å; T748-V751 PolarHBondContact O-N 3.19Å; T748-M752 HydrophobicContact CG2-CG 3.91Å; T748-M752 HydrophobicContact CG2-SD 3.68Å; T748-M752 WeakPolarHBondContact O-CG 3.38Å; T748-M752 PolarHBondContact O-N 2.63Å |
| 749 | W | 31.6 | Very low | 39.4 | Very low | 152 Ų | 152 | 72 Ų | 72 | 58% | 0.576 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.7 | -39.4 | 177.1 | -158.7 | 84.6 | 0 | 0 | 0 | 112.9 | H745 L746 E747 V751 C939 | H745-W749 PolarHBondContact O-N 2.86Å; L746-W749 PolarHBondContact O-N 3.45Å; E747-W749 VanDerWaalsContact C-N 3.3Å; E747-W749 PolarHBondContact O-N 3.28Å; W749-V751 PolarHBondContact O-N 3.18Å; W749-V751 VanDerWaalsContact O-N 3.16Å; W749-C939 HydrophobicContact CZ2-CB 4.29Å; W749-C939 PolarHBondContact NE1-SG 3.04Å; W749-C939 VanDerWaalsContact NE1-SG 3.41Å |
| 750 | R | 33.3 | Very low | 41.1 | Very low | 159 Ų | 159 | 70.8 Ų | 70.8 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63 | -15.7 | 170.4 | -79.5 | 171.8 | 159.4 | 177.5 | -3 | 113.8 | L746 E747 T748 H753 | L746-R750 PolarHBondContact O-N 3.24Å; E747-R750 WeakPolarHBondContact O-CB 3.46Å; E747-R750 PolarHBondContact O-N 3.01Å; E747-R750 IonicContact OE1-NH1 2.71Å; E747-R750 VanDerWaalsContact OE2-CD 3.22Å; E747-R750 WeakPolarHBondContact OE2-CD 3.38Å; E747-R750 IonicContact OE2-CZ 2.66Å; E747-R750 IonicContact OE2-NE 2.94Å; E747-R750 IonicContact OE2-NH1 2.64Å; E747-R750 PolarHBondContact OE2-NH1 3.12Å; T748-R750 PolarHBondContact O-N 3.38Å; R750-H753 PolarHBondContact O-CE1 2.95Å; R750-H753 PolarHBondContact O-ND1 2.87Å |
| 751 | V | 39 | Very low | 42.9 | Very low | 22 Ų | 22 | 75.4 Ų | 75.4 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -107.2 | -37.3 | -170.2 | 161.5 | 0 | 0 | 0 | 0 | 112.5 | K724 E747 T748 W749 H753 | K724-V751 HydrophobicContact CB-CG1 3.82Å; K724-V751 HydrophobicContact CB-CG2 3.98Å; K724-V751 HydrophobicContact CD-CG2 3.93Å; K724-V751 HydrophobicContact CG-CG1 3.94Å; K724-V751 HydrophobicContact CG-CG2 4.12Å; E747-V751 WeakPolarHBondContact O-CB 3.45Å; E747-V751 WeakPolarHBondContact O-CG2 3.43Å; E747-V751 PolarHBondContact O-N 3Å; T748-V751 CarbonylContact O-C 3.56Å; T748-V751 WeakPolarHBondContact O-CA 3.47Å; T748-V751 WeakPolarHBondContact O-CB 3.23Å; T748-V751 PolarHBondContact O-N 3.19Å; W749-V751 PolarHBondContact O-N 3.18Å; W749-V751 VanDerWaalsContact O-N 3.16Å; V751-H753 PolarHBondContact O-N 2.6Å |
| 752 | M | 36.7 | Very low | 44.8 | Very low | 35 Ų | 35 | 72.8 Ų | 72.8 | 17% | 0.172 | 37% | 0.37 | C | S | . | . | trans | -74.8 | 42.6 | 178.4 | -62.7 | -170 | 84.6 | 0 | 0 | 113.4 | L721 T748 S754 I935 | L721-M752 HydrophobicContact CD1-CE 4.05Å; L721-M752 HydrophobicContact CD2-CE 4.06Å; L721-M752 HydrophobicContact CG-CE 4.47Å; T748-M752 HydrophobicContact CG2-CG 3.91Å; T748-M752 HydrophobicContact CG2-SD 3.68Å; T748-M752 WeakPolarHBondContact O-CG 3.38Å; T748-M752 PolarHBondContact O-N 2.63Å; M752-S754 PolarHBondContact O-N 3.41Å; M752-S754 VanDerWaalsContact O-N 3.15Å; M752-I935 HydrophobicContact CE-CD1 3.46Å; M752-I935 VanDerWaalsContact CE-CD1 3.46Å; M752-I935 HydrophobicContact SD-CD1 4.04Å | ||
| 753 | H | 33.8 | Very low | 46.9 | Very low | 125 Ų | 125 | 69.4 Ų | 69.4 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | trans | -58.7 | 116.5 | 170.4 | -83.3 | 74.4 | 0 | 0 | 0 | 109.8 | R750 V751 T755 | R750-H753 PolarHBondContact O-CE1 2.95Å; R750-H753 PolarHBondContact O-ND1 2.87Å; V751-H753 PolarHBondContact O-N 2.6Å; H753-T755 PolarHBondContact O-N 3.04Å | ||
| 754 | S | 41.4 | Very low | 49.3 | Very low | 99 Ų | 99 | 69 Ų | 69 | 69% | 0.692 | 35% | 0.35 | S | S | * | . | trans | -57.3 | 103.5 | 179.7 | 58 | 0 | 0 | 0 | 0 | 111.6 | M752 S756 | M752-S754 PolarHBondContact O-N 3.41Å; M752-S754 VanDerWaalsContact O-N 3.15Å; S754-S756 VanDerWaalsContact C-N 3.33Å; S754-S756 PolarHBondContact O-N 3.47Å | ||
| 755 | T | 42.9 | Very low | 51.7 | Low | 24 Ų | 24 | 67.7 Ų | 67.7 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | trans | 22.9 | 65.4 | 174.6 | 65.1 | 0 | 0 | 0 | 0 | 113.8 | P720 H753 R791 | P720-T755 HydrophobicContact CB-CG2 4.2Å; P720-T755 WeakPolarHBondContact O-CG2 3.46Å; H753-T755 PolarHBondContact O-N 3.04Å; T755-R791 PolarHBondContact OG1-NH1 3.22Å | ||
| 756 | S | 47.2 | Very low | 54.1 | Low | 48 Ų | 48 | 62.7 Ų | 62.7 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | trans | -59.9 | 154.8 | 176.6 | 65.7 | 0 | 0 | 0 | 0 | 109.7 | S754 D758 S759 V760 | S754-S756 VanDerWaalsContact C-N 3.33Å; S754-S756 PolarHBondContact O-N 3.47Å; S756-D758 PolarHBondContact O-N 3.02Å; S756-S759 WeakPolarHBondContact O-CA 2.97Å; S756-S759 PolarHBondContact O-N 3.37Å; S756-S759 WeakPolarHBondContact OG-CB 3.36Å; S756-S759 PolarHBondContact OG-N 2.65Å; S756-V760 WeakPolarHBondContact O-CG2 3.48Å; S756-V760 PolarHBondContact O-N 2.75Å | ||
| 757 | A | 51.2 | Low | 57 | Low | 55 Ų | 55 | 56.7 Ų | 56.7 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -51.8 | -34.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R761 | A757-R761 WeakPolarHBondContact O-CB 3.35Å; A757-R761 WeakPolarHBondContact O-CD 3.46Å; A757-R761 VanDerWaalsContact O-CG 3.23Å; A757-R761 WeakPolarHBondContact O-CG 3.47Å; A757-R761 PolarHBondContact O-N 2.87Å |
| 758 | D | 58.5 | Low | 59.6 | Low | 93 Ų | 93 | 54.3 Ų | 54.3 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -79.1 | -32.3 | 177.2 | -53.9 | -45.7 | 0 | 0 | 0 | 113.4 | S756 V760 R761 N762 | S756-D758 PolarHBondContact O-N 3.02Å; D758-V760 VanDerWaalsContact C-N 3.34Å; D758-R761 IonicContact OD1-CZ 2.75Å; D758-R761 IonicContact OD1-NH1 3.77Å; D758-R761 PolarHBondContact OD1-NH1 3.09Å; D758-N762 VanDerWaalsContact O-CB 3.26Å; D758-N762 WeakPolarHBondContact O-CB 3.37Å; D758-N762 PolarHBondContact O-N 2.81Å; D758-N762 PolarHBondContact O-ND2 3.39Å |
| 759 | S | 63.3 | Low | 62.3 | Low | 19 Ų | 19 | 55.4 Ų | 55.4 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 169.6 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | S756 N762 I763 | S756-S759 WeakPolarHBondContact O-CA 2.97Å; S756-S759 PolarHBondContact O-N 3.37Å; S756-S759 WeakPolarHBondContact OG-CB 3.36Å; S756-S759 PolarHBondContact OG-N 2.65Å; S759-N762 PolarHBondContact O-N 2.95Å; S759-I763 WeakPolarHBondContact O-CD1 3.35Å; S759-I763 VanDerWaalsContact O-CG1 3.25Å; S759-I763 WeakPolarHBondContact O-CG1 3.46Å; S759-I763 PolarHBondContact O-N 2.82Å |
| 760 | V | 67.6 | Low | 65.4 | Low | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -50.1 | 176.2 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | S756 D758 I763 S764 R791 I792 S795 | S756-V760 WeakPolarHBondContact O-CG2 3.48Å; S756-V760 PolarHBondContact O-N 2.75Å; D758-V760 VanDerWaalsContact C-N 3.34Å; V760-I763 PolarHBondContact O-N 2.7Å; V760-S764 PolarHBondContact O-N 3.44Å; V760-R791 WeakPolarHBondContact CG1-O 3.33Å; V760-I792 HydrophobicContact CG1-CG1 3.98Å; V760-S795 WeakPolarHBondContact CG1-OG 3.3Å |
| 761 | R | 70.6 | Confident | 68.4 | Low | 112 Ų | 112 | 42.3 Ų | 42.3 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 174.5 | -73.6 | 167.4 | -173.6 | 146.9 | -2.2 | 112.9 | A757 D758 I763 S764 F765 | A757-R761 WeakPolarHBondContact O-CB 3.35Å; A757-R761 WeakPolarHBondContact O-CD 3.46Å; A757-R761 VanDerWaalsContact O-CG 3.23Å; A757-R761 WeakPolarHBondContact O-CG 3.47Å; A757-R761 PolarHBondContact O-N 2.87Å; D758-R761 IonicContact OD1-CZ 2.75Å; D758-R761 IonicContact OD1-NH1 3.77Å; D758-R761 PolarHBondContact OD1-NH1 3.09Å; R761-I763 VanDerWaalsContact C-N 3.32Å; R761-I763 PolarHBondContact O-N 3.14Å; R761-S764 PolarHBondContact O-N 3.5Å; R761-F765 HydrophobicContact CB-CD2 4.11Å; R761-F765 HydrophobicContact CB-CE2 3.81Å; R761-F765 HydrophobicContact CG-CE2 4.2Å; R761-F765 WeakPolarHBondContact O-CB 3.49Å; R761-F765 WeakPolarHBondContact O-CD2 3.42Å; R761-F765 VanDerWaalsContact O-CG 3.28Å; R761-F765 WeakPolarHBondContact O-CG 3.44Å; R761-F765 PolarHBondContact O-N 3.37Å |
| 762 | N | 75.5 | Confident | 70.8 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 34% | 0.342 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | -179.5 | -88.9 | -72.5 | 0 | 0 | 0 | 112.2 | D758 S759 G766 | D758-N762 VanDerWaalsContact O-CB 3.26Å; D758-N762 WeakPolarHBondContact O-CB 3.37Å; D758-N762 PolarHBondContact O-N 2.81Å; D758-N762 PolarHBondContact O-ND2 3.39Å; S759-N762 PolarHBondContact O-N 2.95Å; N762-G766 PolarHBondContact O-N 3.33Å |
| 763 | I | 79.6 | Confident | 73.5 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -53.7 | 173 | -67.5 | 165.9 | 0 | 0 | 0 | 109.5 | H691 V717 S759 V760 R761 F765 G766 M767 | H691-I763 HydrophobicContact CB-CD1 4.02Å; H691-I763 HydrophobicContact CB-CG1 3.85Å; H691-I763 WeakPolarHBondContact O-CG1 3.27Å; V717-I763 HydrophobicContact CG1-CG2 4.22Å; V717-I763 HydrophobicContact CG2-CG2 3.48Å; V717-I763 VanDerWaalsContact CG2-CG2 3.48Å; S759-I763 WeakPolarHBondContact O-CD1 3.35Å; S759-I763 VanDerWaalsContact O-CG1 3.25Å; S759-I763 WeakPolarHBondContact O-CG1 3.46Å; S759-I763 PolarHBondContact O-N 2.82Å; V760-I763 PolarHBondContact O-N 2.7Å; R761-I763 VanDerWaalsContact C-N 3.32Å; R761-I763 PolarHBondContact O-N 3.14Å; I763-F765 PolarHBondContact O-N 2.75Å; I763-G766 PolarHBondContact O-N 3.04Å; I763-G766 VanDerWaalsContact O-N 3.15Å; I763-M767 HydrophobicContact CG2-CG 4.3Å; I763-M767 VanDerWaalsContact O-CG 3.27Å; I763-M767 WeakPolarHBondContact O-CG 3.45Å; I763-M767 PolarHBondContact O-N 3.42Å |
| 764 | S | 81.9 | Confident | 76.1 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -51.1 | -177.1 | -153.9 | 0 | 0 | 0 | 0 | 112.3 | V760 R761 G766 M767 E768 C796 | V760-S764 PolarHBondContact O-N 3.44Å; R761-S764 PolarHBondContact O-N 3.5Å; S764-G766 VanDerWaalsContact C-N 3.3Å; S764-G766 PolarHBondContact O-N 2.89Å; S764-M767 PolarHBondContact O-N 2.97Å; S764-E768 WeakPolarHBondContact O-CB 3.44Å; S764-E768 WeakPolarHBondContact O-CG 3.49Å; S764-E768 PolarHBondContact O-N 3.01Å; S764-E768 PolarHBondContact OG-OE1 3.38Å; S764-C796 VanDerWaalsContact OG-CA 3.23Å; S764-C796 WeakPolarHBondContact OG-CA 3.49Å; S764-C796 WeakPolarHBondContact OG-CB 3.47Å |
| 765 | F | 86.4 | Confident | 78.7 | Confident | 65 Ų | 65 | 42.1 Ų | 42.1 | 29% | 0.285 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.8 | -30.7 | 179.1 | -61.1 | -37 | 0 | 0 | 0 | 113.1 | R693 R761 I763 D769 T797 | R693-F765 HydrophobicContact CG-CB 4.45Å; R761-F765 HydrophobicContact CB-CD2 4.11Å; R761-F765 HydrophobicContact CB-CE2 3.81Å; R761-F765 HydrophobicContact CG-CE2 4.2Å; R761-F765 WeakPolarHBondContact O-CB 3.49Å; R761-F765 WeakPolarHBondContact O-CD2 3.42Å; R761-F765 VanDerWaalsContact O-CG 3.28Å; R761-F765 WeakPolarHBondContact O-CG 3.44Å; R761-F765 PolarHBondContact O-N 3.37Å; I763-F765 PolarHBondContact O-N 2.75Å; F765-D769 WeakPolarHBondContact O-CB 3.39Å; F765-D769 PolarHBondContact O-N 3.41Å; F765-T797 HydrophobicContact CE1-CG2 4.39Å |
| 766 | G | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V696 N762 I763 S764 V770 | V696-G766 WeakPolarHBondContact CG1-O 3.47Å; N762-G766 PolarHBondContact O-N 3.33Å; I763-G766 PolarHBondContact O-N 3.04Å; I763-G766 VanDerWaalsContact O-N 3.15Å; S764-G766 VanDerWaalsContact C-N 3.3Å; S764-G766 PolarHBondContact O-N 2.89Å; G766-V770 PolarHBondContact O-N 3.31Å |
| 767 | M | 94.4 | Very high | 83.5 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -41.4 | 174.5 | -61.7 | -63.2 | -75.2 | 0 | 0 | 110.9 | L686 V696 F715 V717 I763 S764 V770 L771 I779 | L686-M767 HydrophobicContact CD2-SD 4.22Å; V696-M767 HydrophobicContact CG1-SD 3.76Å; F715-M767 HydrophobicContact CB-CE 4.16Å; F715-M767 HydrophobicContact CD1-CE 3.54Å; F715-M767 HydrophobicContact CD1-SD 3.62Å; F715-M767 HydrophobicContact CE1-CE 4.27Å; F715-M767 HydrophobicContact CE1-SD 3.82Å; F715-M767 HydrophobicContact CG-CE 4.03Å; F715-M767 WeakPolarHBondContact O-CE 3.19Å; V717-M767 HydrophobicContact CG2-CE 4.11Å; V717-M767 HydrophobicContact CG2-CG 4.1Å; V717-M767 HydrophobicContact CG2-SD 4.11Å; I763-M767 HydrophobicContact CG2-CG 4.3Å; I763-M767 VanDerWaalsContact O-CG 3.27Å; I763-M767 WeakPolarHBondContact O-CG 3.45Å; I763-M767 PolarHBondContact O-N 3.42Å; S764-M767 PolarHBondContact O-N 2.97Å; M767-V770 WeakPolarHBondContact O-CG2 3.41Å; M767-V770 PolarHBondContact O-N 3.36Å; M767-L771 WeakPolarHBondContact O-CB 3.46Å; M767-L771 PolarHBondContact O-N 2.96Å; M767-L771 VanDerWaalsContact O-N 3.1Å; M767-I779 HydrophobicContact CB-CB 4.25Å; M767-I779 HydrophobicContact CB-CD1 3.91Å; M767-I779 HydrophobicContact CB-CG2 4.1Å; M767-I779 HydrophobicContact CE-CB 4.1Å; M767-I779 HydrophobicContact CE-CG2 4.14Å |
| 768 | E | 92.4 | Very high | 85.7 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 174.2 | -71.1 | 163.6 | -150.9 | 0 | 0 | 111.9 | S764 L771 S772 I779 C796 T797 V798 | S764-E768 WeakPolarHBondContact O-CB 3.44Å; S764-E768 WeakPolarHBondContact O-CG 3.49Å; S764-E768 PolarHBondContact O-N 3.01Å; S764-E768 PolarHBondContact OG-OE1 3.38Å; E768-L771 PolarHBondContact O-N 3.42Å; E768-S772 WeakPolarHBondContact O-CB 3.43Å; E768-S772 PolarHBondContact O-N 3.39Å; E768-S772 PolarHBondContact O-OG 2.95Å; E768-I779 HydrophobicContact CG-CD1 4.26Å; E768-C796 WeakPolarHBondContact OE1-CA 3.26Å; E768-T797 VanDerWaalsContact CD-OG1 3.28Å; E768-T797 PolarHBondContact OE1-N 3.28Å; E768-T797 PolarHBondContact OE2-OG1 3.42Å; E768-V798 HydrophobicContact CG-CB 3.95Å; E768-V798 HydrophobicContact CG-CG2 4.02Å; E768-V798 PolarHBondContact OE1-N 3.49Å |
| 769 | D | 93.6 | Very high | 87.5 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 174.3 | -79.9 | -14.8 | 0 | 0 | 0 | 112 | R693 F765 L771 S772 K773 | R693-D769 IonicContact CZ-OD1 2.69Å; R693-D769 IonicContact CZ-OD2 3.54Å; R693-D769 IonicContact NE-OD1 2.61Å; R693-D769 IonicContact NE-OD2 3.77Å; R693-D769 PolarHBondContact NE-OD2 2.87Å; R693-D769 VanDerWaalsContact NH2-CG 3.32Å; R693-D769 IonicContact NH2-OD1 2.8Å; R693-D769 PolarHBondContact NH2-OD1 2.93Å; R693-D769 IonicContact NH2-OD2 3.6Å; R693-D769 PolarHBondContact NH2-OD2 3.39Å; F765-D769 WeakPolarHBondContact O-CB 3.39Å; F765-D769 PolarHBondContact O-N 3.41Å; D769-L771 VanDerWaalsContact C-N 3.32Å; D769-L771 PolarHBondContact O-N 3.5Å; D769-S772 PolarHBondContact O-N 3.27Å; D769-S772 PolarHBondContact O-OG 2.98Å; D769-K773 WeakPolarHBondContact O-CB 3.44Å; D769-K773 VanDerWaalsContact O-CG 3.3Å; D769-K773 WeakPolarHBondContact O-CG 3.26Å; D769-K773 PolarHBondContact O-N 3.36Å |
| 770 | V | 96.1 | Very high | 89 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.3 | -29.3 | -178.5 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | V696 E697 L700 F715 G766 M767 G774 L775 T776 | V696-V770 HydrophobicContact CG1-CG1 4.34Å; V696-V770 HydrophobicContact CG1-CG2 4.42Å; E697-V770 VanDerWaalsContact CA-CG1 3.48Å; E697-V770 HydrophobicContact CB-CG1 3.81Å; E697-V770 HydrophobicContact CG-CG1 4.29Å; L700-V770 HydrophobicContact CD2-CB 3.75Å; L700-V770 HydrophobicContact CD2-CG1 4.08Å; L700-V770 HydrophobicContact CD2-CG2 3.99Å; F715-V770 HydrophobicContact CD1-CG2 4.03Å; F715-V770 HydrophobicContact CE1-CG2 4.45Å; G766-V770 PolarHBondContact O-N 3.31Å; M767-V770 WeakPolarHBondContact O-CG2 3.41Å; M767-V770 PolarHBondContact O-N 3.36Å; V770-G774 PolarHBondContact O-N 3.42Å; V770-L775 HydrophobicContact CB-CB 4.41Å; V770-L775 HydrophobicContact CG1-CD1 4.34Å; V770-L775 PolarHBondContact O-N 3.43Å; V770-L775 VanDerWaalsContact O-N 3.11Å; V770-T776 HydrophobicContact CG2-CG2 3.99Å; V770-T776 PolarHBondContact O-N 2.88Å |
| 771 | L | 95.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 19% | 0.188 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -48.6 | 171.6 | -178 | 64.6 | 0 | 0 | 0 | 111.1 | M767 E768 D769 K773 G774 T776 I779 V798 | M767-L771 WeakPolarHBondContact O-CB 3.46Å; M767-L771 PolarHBondContact O-N 2.96Å; M767-L771 VanDerWaalsContact O-N 3.1Å; E768-L771 PolarHBondContact O-N 3.42Å; D769-L771 VanDerWaalsContact C-N 3.32Å; D769-L771 PolarHBondContact O-N 3.5Å; L771-K773 PolarHBondContact O-N 3.11Å; L771-G774 PolarHBondContact O-N 3.25Å; L771-T776 HydrophobicContact CB-CG2 4.29Å; L771-T776 HydrophobicContact CD1-CG2 4.31Å; L771-T776 WeakPolarHBondContact CD1-O 3.21Å; L771-I779 HydrophobicContact CB-CG2 4.02Å; L771-I779 HydrophobicContact CD2-CD1 4.1Å; L771-I779 HydrophobicContact CD2-CG1 4.15Å; L771-I779 HydrophobicContact CD2-CG2 4.44Å; L771-V798 HydrophobicContact CD2-CB 4.49Å; L771-V798 HydrophobicContact CD2-CG1 3.83Å |
| 772 | S | 90 | Very high | 91.2 | Very high | 96 Ų | 96 | 29.3 Ų | 29.3 | 67% | 0.671 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -64.8 | -26.6 | 178.7 | 68.7 | 0 | 0 | 0 | 0 | 113.3 | E768 D769 G774 | E768-S772 WeakPolarHBondContact O-CB 3.43Å; E768-S772 PolarHBondContact O-N 3.39Å; E768-S772 PolarHBondContact O-OG 2.95Å; D769-S772 PolarHBondContact O-N 3.27Å; D769-S772 PolarHBondContact O-OG 2.98Å; S772-G774 VanDerWaalsContact C-N 3.31Å |
| 773 | K | 92.8 | Very high | 91.7 | Very high | 112 Ų | 112 | 27.6 Ų | 27.6 | 49% | 0.487 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2.7 | 172.8 | -69.5 | 175.2 | -176.6 | -171.2 | 0 | 114.3 | E697 D769 L771 L775 | E697-K773 VanDerWaalsContact CD-NZ 3.26Å; E697-K773 IonicContact OE1-NZ 3.5Å; E697-K773 PolarHBondContact OE1-NZ 2.93Å; E697-K773 IonicContact OE2-NZ 3.6Å; E697-K773 PolarHBondContact OE2-NZ 2.58Å; D769-K773 WeakPolarHBondContact O-CB 3.44Å; D769-K773 VanDerWaalsContact O-CG 3.3Å; D769-K773 WeakPolarHBondContact O-CG 3.26Å; D769-K773 PolarHBondContact O-N 3.36Å; L771-K773 PolarHBondContact O-N 3.11Å; K773-L775 HydrophobicContact CB-CD1 4.24Å; K773-L775 HydrophobicContact CB-CG 4.12Å; K773-L775 PolarHBondContact O-N 2.84Å |
| 774 | G | 90.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 45% | 0.454 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 8.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y711 V770 L771 S772 T776 | Y711-G774 WeakPolarHBondContact CB-O 3.09Å; V770-G774 PolarHBondContact O-N 3.42Å; L771-G774 PolarHBondContact O-N 3.25Å; S772-G774 VanDerWaalsContact C-N 3.31Å; G774-T776 PolarHBondContact O-N 3.48Å |
| 775 | L | 95.5 | Very high | 91.8 | Very high | 26 Ų | 26 | 30.5 Ų | 30.5 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -70.3 | -23.3 | 176.9 | -60.3 | 172.9 | 0 | 0 | 0 | 111.7 | E697 L700 K701 L704 Y711 V712 V770 K773 | E697-L775 HydrophobicContact CG-CD1 3.95Å; L700-L775 HydrophobicContact CD2-CB 3.59Å; L700-L775 HydrophobicContact CG-CB 4.36Å; K701-L775 HydrophobicContact CG-CD1 4.35Å; L704-L775 HydrophobicContact CD1-CB 4.24Å; L704-L775 HydrophobicContact CD1-CD2 4.11Å; Y711-L775 WeakPolarHBondContact CA-O 3.25Å; V712-L775 PolarHBondContact N-O 3.49Å; V712-L775 VanDerWaalsContact N-O 3.11Å; V770-L775 HydrophobicContact CB-CB 4.41Å; V770-L775 HydrophobicContact CG1-CD1 4.34Å; V770-L775 PolarHBondContact O-N 3.43Å; V770-L775 VanDerWaalsContact O-N 3.11Å; K773-L775 HydrophobicContact CB-CD1 4.24Å; K773-L775 HydrophobicContact CB-CG 4.12Å; K773-L775 PolarHBondContact O-N 2.84Å |
| 776 | T | 97.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -132.2 | 152.8 | 163 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | V712 F715 V770 L771 G774 S778 I779 | V712-T776 CarbonylContact O-C 3.52Å; V712-T776 WeakPolarHBondContact O-CA 3.45Å; V712-T776 PolarHBondContact O-OG1 3.35Å; F715-T776 HydrophobicContact CB-CG2 4.03Å; F715-T776 PolarHBondContact N-OG1 2.93Å; V770-T776 HydrophobicContact CG2-CG2 3.99Å; V770-T776 PolarHBondContact O-N 2.88Å; L771-T776 HydrophobicContact CB-CG2 4.29Å; L771-T776 HydrophobicContact CD1-CG2 4.31Å; L771-T776 WeakPolarHBondContact CD1-O 3.21Å; G774-T776 PolarHBondContact O-N 3.48Å; T776-S778 WeakPolarHBondContact CG2-O 3.45Å; T776-S778 PolarHBondContact OG1-N 3.34Å; T776-S778 PolarHBondContact OG1-O 3.18Å; T776-I779 HydrophobicContact CG2-CG2 3.74Å |
| 777 | R | 93.5 | Very high | 90.6 | Very high | 69 Ų | 69 | 34.6 Ų | 34.6 | 26% | 0.26 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -92.5 | -14.4 | 174.9 | -64 | 168.9 | 74.4 | -160.6 | 16.8 | 113.5 | N538 N616 L618 Y711 V712 D713 | N538-R777 PolarHBondContact O-NH2 3.25Å; N616-R777 PolarHBondContact ND2-O 2.83Å; L618-R777 VanDerWaalsContact CD1-CZ 3.42Å; L618-R777 HydrophobicContact CD2-CB 3.86Å; Y711-R777 HydrophobicContact CD2-CG 3.95Å; Y711-R777 HydrophobicContact CE2-CG 4.18Å; V712-R777 PolarHBondContact O-N 2.73Å; D713-R777 CarbonylContact O-C 3.59Å; D713-R777 WeakPolarHBondContact OD1-CD 3.27Å; D713-R777 IonicContact OD1-CZ 2.68Å; D713-R777 IonicContact OD1-NE 2.66Å; D713-R777 IonicContact OD1-NH1 2.59Å; D713-R777 PolarHBondContact OD1-NH1 3.18Å |
| 778 | S | 96.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -155.6 | 160 | 173.5 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | D713 L714 F715 T776 | D713-S778 WeakPolarHBondContact O-CB 3.26Å; D713-S778 PolarHBondContact O-N 2.9Å; D713-S778 PolarHBondContact O-OG 3.4Å; L714-S778 WeakPolarHBondContact CA-OG 3.34Å; L714-S778 VanDerWaalsContact CD1-OG 3.27Å; L714-S778 WeakPolarHBondContact CD1-OG 3.4Å; F715-S778 PolarHBondContact N-O 3.09Å; T776-S778 WeakPolarHBondContact CG2-O 3.45Å; T776-S778 PolarHBondContact OG1-N 3.34Å; T776-S778 PolarHBondContact OG1-O 3.18Å | ||
| 779 | I | 97 | Very high | 89.3 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.2 | -178.6 | 60 | 176.4 | 0 | 0 | 0 | 111.4 | F715 M767 E768 L771 T776 V798 H801 | F715-I779 CarbonylContact O-C 3.41Å; F715-I779 WeakPolarHBondContact O-CA 3.36Å; M767-I779 HydrophobicContact CB-CB 4.25Å; M767-I779 HydrophobicContact CB-CD1 3.91Å; M767-I779 HydrophobicContact CB-CG2 4.1Å; M767-I779 HydrophobicContact CE-CB 4.1Å; M767-I779 HydrophobicContact CE-CG2 4.14Å; E768-I779 HydrophobicContact CG-CD1 4.26Å; L771-I779 HydrophobicContact CB-CG2 4.02Å; L771-I779 HydrophobicContact CD2-CD1 4.1Å; L771-I779 HydrophobicContact CD2-CG1 4.15Å; L771-I779 HydrophobicContact CD2-CG2 4.44Å; T776-I779 HydrophobicContact CG2-CG2 3.74Å; I779-V798 HydrophobicContact CD1-CB 4.31Å; I779-V798 HydrophobicContact CD1-CG1 4.31Å; I779-H801 PolarHBondContact N-ND1 2.87Å; I779-H801 WeakPolarHBondContact O-CB 3.24Å; I779-H801 PolarHBondContact O-N 3.29Å; I779-H801 PolarHBondContact O-ND1 2.81Å |
| 780 | G | 95.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | -166.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F715 L716 V717 N802 | F715-G780 PolarHBondContact O-N 3.47Å; L716-G780 WeakPolarHBondContact CA-O 3.46Å; L716-G780 VanDerWaalsContact CD2-CA 3.47Å; V717-G780 PolarHBondContact N-O 2.91Å; G780-N802 VanDerWaalsContact CA-O 3.29Å; G780-N802 WeakPolarHBondContact CA-O 3.44Å |
| 781 | L | 94.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.9 | -172.1 | -59.4 | 177.9 | 0 | 0 | 0 | 111.1 | V717 F784 M789 I792 P800 N802 L803 Q804 | V717-L781 HydrophobicContact CB-CD2 4.04Å; V717-L781 HydrophobicContact CG2-CD2 3.86Å; L781-F784 HydrophobicContact CB-CB 4.5Å; L781-F784 HydrophobicContact CB-CD2 3.68Å; L781-F784 HydrophobicContact CB-CE2 4.09Å; L781-F784 HydrophobicContact CB-CG 4.1Å; L781-F784 HydrophobicContact CD1-CB 4.47Å; L781-F784 HydrophobicContact CD1-CD1 4.13Å; L781-F784 HydrophobicContact CD1-CD2 4.41Å; L781-F784 HydrophobicContact CD1-CG 4.09Å; L781-F784 HydrophobicContact CD2-CD2 4.32Å; L781-F784 HydrophobicContact CD2-CE1 4.39Å; L781-F784 HydrophobicContact CD2-CE2 3.98Å; L781-F784 HydrophobicContact CD2-CZ 4.02Å; L781-F784 HydrophobicContact CG-CD2 4.35Å; L781-F784 HydrophobicContact CG-CE2 4.49Å; L781-M789 HydrophobicContact CD1-CG 4.41Å; L781-I792 HydrophobicContact CD1-CD1 3.8Å; L781-I792 HydrophobicContact CD1-CG2 4.34Å; L781-I792 HydrophobicContact CD2-CD1 3.54Å; L781-I792 HydrophobicContact CG-CD1 4.33Å; L781-P800 HydrophobicContact CD1-CB 4.21Å; L781-P800 HydrophobicContact CD1-CG 3.86Å; L781-P800 HydrophobicContact CG-CB 4.09Å; L781-P800 HydrophobicContact CG-CG 4.04Å; L781-N802 PolarHBondContact N-O 3.05Å; L781-L803 HydrophobicContact CB-CD1 3.89Å; L781-L803 CarbonylContact O-C 3.56Å; L781-L803 WeakPolarHBondContact O-CA 3.25Å; L781-Q804 PolarHBondContact O-N 2.89Å |
| 782 | S | 89.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138.7 | 170.2 | -168 | 0 | 0 | 0 | 0 | 111.7 | V717 H718 F784 Q804 | V717-S782 WeakPolarHBondContact O-CA 3.31Å; V717-S782 WeakPolarHBondContact O-CB 3.37Å; V717-S782 PolarHBondContact O-N 2.81Å; H718-S782 CarbonylContact C-O 3.48Å; S782-F784 WeakPolarHBondContact O-CD2 3.41Å; S782-F784 WeakPolarHBondContact O-CE2 3.44Å; S782-F784 PolarHBondContact O-N 2.57Å; S782-Q804 CarbonylContact C-O 3.54Å; S782-Q804 WeakPolarHBondContact CA-O 3.44Å; S782-Q804 WeakPolarHBondContact CB-O 3.44Å; S782-Q804 PolarHBondContact OG-O 2.85Å |
| 783 | N | 85.7 | Confident | 86.3 | Confident | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.144 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 64.2 | 31 | -177.4 | -54.1 | -62.9 | 0 | 0 | 0 | 115.6 | H718 P720 Q804 Y830 F929 | H718-N783 PolarHBondContact O-ND2 3.25Å; P720-N783 VanDerWaalsContact CD-O 3.3Å; P720-N783 WeakPolarHBondContact CD-O 3.47Å; N783-Q804 PolarHBondContact N-O 3.1Å; N783-Y830 VanDerWaalsContact OD1-CE1 3.26Å; N783-Y830 WeakPolarHBondContact OD1-CE1 3.36Å; N783-Y830 PolarHBondContact OD1-OH 3.5Å; N783-F929 HydrophobicContact CB-CZ 4.47Å |
| 784 | F | 83.7 | Confident | 85.7 | Confident | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | trans | -96 | 143.5 | 174.6 | -76.1 | -111 | 0 | 0 | 0 | 112 | V717 P720 L781 S782 Q788 M789 I792 L803 | V717-F784 HydrophobicContact CB-CE2 4.16Å; V717-F784 HydrophobicContact CB-CZ 4.43Å; V717-F784 HydrophobicContact CG1-CE2 4.03Å; V717-F784 HydrophobicContact CG1-CZ 4.03Å; P720-F784 VanDerWaalsContact CA-CZ 3.5Å; P720-F784 HydrophobicContact CB-CD1 4.17Å; P720-F784 HydrophobicContact CB-CE1 3.72Å; P720-F784 HydrophobicContact CB-CE2 4.15Å; P720-F784 HydrophobicContact CB-CZ 3.72Å; L781-F784 HydrophobicContact CB-CB 4.5Å; L781-F784 HydrophobicContact CB-CD2 3.68Å; L781-F784 HydrophobicContact CB-CE2 4.09Å; L781-F784 HydrophobicContact CB-CG 4.1Å; L781-F784 HydrophobicContact CD1-CB 4.47Å; L781-F784 HydrophobicContact CD1-CD1 4.13Å; L781-F784 HydrophobicContact CD1-CD2 4.41Å; L781-F784 HydrophobicContact CD1-CG 4.09Å; L781-F784 HydrophobicContact CD2-CD2 4.32Å; L781-F784 HydrophobicContact CD2-CE1 4.39Å; L781-F784 HydrophobicContact CD2-CE2 3.98Å; L781-F784 HydrophobicContact CD2-CZ 4.02Å; L781-F784 HydrophobicContact CG-CD2 4.35Å; L781-F784 HydrophobicContact CG-CE2 4.49Å; S782-F784 WeakPolarHBondContact O-CD2 3.41Å; S782-F784 WeakPolarHBondContact O-CE2 3.44Å; S782-F784 PolarHBondContact O-N 2.57Å; F784-Q788 HydrophobicContact CB-CB 4.48Å; F784-Q788 HydrophobicContact CD1-CB 3.65Å; F784-Q788 HydrophobicContact CE1-CB 4.37Å; F784-Q788 HydrophobicContact CG-CB 4.47Å; F784-M789 HydrophobicContact CB-CG 3.98Å; F784-I792 HydrophobicContact CD1-CD1 3.91Å; F784-I792 HydrophobicContact CE1-CD1 3.29Å; F784-I792 HydrophobicContact CE1-CG1 4.37Å; F784-I792 HydrophobicContact CZ-CD1 3.85Å; F784-L803 HydrophobicContact CB-CD1 3.98Å | ||
| 785 | N | 80.4 | Confident | 84.9 | Confident | 73 Ų | 73 | 38 Ų | 38 | 39% | 0.39 | 19% | 0.194 | S | C | . | . | trans | -97.5 | 169.2 | 169.1 | 72.1 | 33 | 0 | 0 | 0 | 112 | T787 Q788 M789 | N785-T787 VanDerWaalsContact C-N 3.31Å; N785-T787 PolarHBondContact O-N 3.42Å; N785-T787 PolarHBondContact OD1-N 3.19Å; N785-T787 VanDerWaalsContact OD1-N 3.16Å; N785-Q788 PolarHBondContact O-N 3.47Å; N785-Q788 WeakPolarHBondContact OD1-CG 3.44Å; N785-Q788 PolarHBondContact OD1-N 3.05Å; N785-M789 WeakPolarHBondContact O-CG 3.39Å; N785-M789 PolarHBondContact O-N 3.23Å | ||
| 786 | I | 78.1 | Confident | 84.3 | Confident | 63 Ų | 63 | 38 Ų | 38 | 32% | 0.323 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -51.3 | -46.9 | -177.3 | -64.7 | 170.6 | 0 | 0 | 0 | 111.9 | Q788 M789 V790 L816 F819 | I786-Q788 VanDerWaalsContact C-N 3.34Å; I786-Q788 PolarHBondContact O-N 2.82Å; I786-M789 PolarHBondContact O-N 3.37Å; I786-V790 WeakPolarHBondContact O-CG2 3.01Å; I786-V790 PolarHBondContact O-N 3.34Å; I786-L816 HydrophobicContact CG1-CD1 3.6Å; I786-F819 HydrophobicContact CD1-CB 4.3Å; I786-F819 HydrophobicContact CG1-CB 4.24Å; I786-F819 HydrophobicContact CG1-CD1 4.27Å; I786-F819 HydrophobicContact CG1-CD2 4.49Å; I786-F819 HydrophobicContact CG1-CG 4.09Å; I786-F819 HydrophobicContact CG2-CD2 3.88Å; I786-F819 HydrophobicContact CG2-CE1 4.44Å; I786-F819 HydrophobicContact CG2-CE2 3.76Å; I786-F819 HydrophobicContact CG2-CG 4.27Å; I786-F819 HydrophobicContact CG2-CZ 4.04Å |
| 787 | T | 71.5 | Confident | 83.7 | Confident | 89 Ų | 89 | 43.3 Ų | 43.3 | 55% | 0.546 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.3 | -36.4 | -178.7 | -49 | 0 | 0 | 0 | 0 | 112.7 | N785 R791 | N785-T787 VanDerWaalsContact C-N 3.31Å; N785-T787 PolarHBondContact O-N 3.42Å; N785-T787 PolarHBondContact OD1-N 3.19Å; N785-T787 VanDerWaalsContact OD1-N 3.16Å; T787-R791 WeakPolarHBondContact O-CG 3.28Å; T787-R791 PolarHBondContact O-N 3.44Å |
| 788 | Q | 78.5 | Confident | 83.4 | Confident | 39 Ų | 39 | 42.3 Ų | 42.3 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.6 | -35.5 | 175.6 | -63.8 | 163.1 | -33 | 0 | 0 | 111.7 | F784 N785 I786 R791 I792 | F784-Q788 HydrophobicContact CB-CB 4.48Å; F784-Q788 HydrophobicContact CD1-CB 3.65Å; F784-Q788 HydrophobicContact CE1-CB 4.37Å; F784-Q788 HydrophobicContact CG-CB 4.47Å; N785-Q788 PolarHBondContact O-N 3.47Å; N785-Q788 WeakPolarHBondContact OD1-CG 3.44Å; N785-Q788 PolarHBondContact OD1-N 3.05Å; I786-Q788 VanDerWaalsContact C-N 3.34Å; I786-Q788 PolarHBondContact O-N 2.82Å; Q788-R791 PolarHBondContact O-N 3.5Å; Q788-I792 PolarHBondContact O-N 3.04Å |
| 789 | M | 80.8 | Confident | 83 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 174.7 | -69.2 | -174.2 | 79 | 0 | 0 | 112.3 | L781 F784 N785 I786 R791 I792 M793 L803 L816 F819 I825 | L781-M789 HydrophobicContact CD1-CG 4.41Å; F784-M789 HydrophobicContact CB-CG 3.98Å; N785-M789 WeakPolarHBondContact O-CG 3.39Å; N785-M789 PolarHBondContact O-N 3.23Å; I786-M789 PolarHBondContact O-N 3.37Å; M789-R791 VanDerWaalsContact C-N 3.35Å; M789-R791 PolarHBondContact O-N 3.11Å; M789-I792 PolarHBondContact O-N 3.25Å; M789-M793 WeakPolarHBondContact O-CG 3.2Å; M789-M793 PolarHBondContact O-N 2.69Å; M789-L803 HydrophobicContact CE-CB 4.42Å; M789-L803 HydrophobicContact CE-CD1 4.46Å; M789-L803 HydrophobicContact CE-CD2 4.14Å; M789-L803 HydrophobicContact SD-CD1 4.26Å; M789-L803 HydrophobicContact SD-CD2 3.64Å; M789-L803 HydrophobicContact SD-CG 4.48Å; M789-L816 HydrophobicContact SD-CD1 3.97Å; M789-F819 HydrophobicContact CB-CE1 3.75Å; M789-F819 HydrophobicContact CB-CZ 4.33Å; M789-F819 HydrophobicContact CE-CD1 4.38Å; M789-F819 HydrophobicContact CE-CE1 4.08Å; M789-F819 HydrophobicContact CG-CE1 4.4Å; M789-F819 HydrophobicContact SD-CD1 3.93Å; M789-F819 HydrophobicContact SD-CE1 3.75Å; M789-I825 HydrophobicContact CE-CD1 3.58Å |
| 790 | V | 77.2 | Confident | 82.8 | Confident | 55 Ų | 55 | 45.4 Ų | 45.4 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.9 | -50 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | I786 I792 M793 D794 F819 | I786-V790 WeakPolarHBondContact O-CG2 3.01Å; I786-V790 PolarHBondContact O-N 3.34Å; V790-I792 VanDerWaalsContact C-N 3.27Å; V790-I792 PolarHBondContact O-N 3.06Å; V790-M793 HydrophobicContact CG2-CE 4.48Å; V790-M793 CarbonylContact O-C 3.49Å; V790-M793 PolarHBondContact O-N 3.07Å; V790-D794 WeakPolarHBondContact CG1-OD2 3.47Å; V790-D794 PolarHBondContact O-N 3Å; V790-F819 HydrophobicContact CG2-CE2 4.19Å; V790-F819 HydrophobicContact CG2-CZ 3.87Å |
| 791 | R | 76 | Confident | 82.9 | Confident | 119 Ų | 119 | 45.5 Ų | 45.5 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -36.6 | 177.9 | -69.3 | 172.7 | -179.7 | -177.2 | -0.8 | 113.9 | T755 V760 T787 Q788 M789 S795 | T755-R791 PolarHBondContact OG1-NH1 3.22Å; V760-R791 WeakPolarHBondContact CG1-O 3.33Å; T787-R791 WeakPolarHBondContact O-CG 3.28Å; T787-R791 PolarHBondContact O-N 3.44Å; Q788-R791 PolarHBondContact O-N 3.5Å; M789-R791 VanDerWaalsContact C-N 3.35Å; M789-R791 PolarHBondContact O-N 3.11Å; R791-S795 PolarHBondContact O-OG 2.95Å; R791-S795 VanDerWaalsContact O-OG 3.06Å |
| 792 | I | 79 | Confident | 83 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.7 | -45.6 | 173.5 | -75.5 | -177.9 | 0 | 0 | 0 | 110.9 | V760 L781 F784 Q788 M789 V790 D794 S795 C796 P800 | V760-I792 HydrophobicContact CG1-CG1 3.98Å; L781-I792 HydrophobicContact CD1-CD1 3.8Å; L781-I792 HydrophobicContact CD1-CG2 4.34Å; L781-I792 HydrophobicContact CD2-CD1 3.54Å; L781-I792 HydrophobicContact CG-CD1 4.33Å; F784-I792 HydrophobicContact CD1-CD1 3.91Å; F784-I792 HydrophobicContact CE1-CD1 3.29Å; F784-I792 HydrophobicContact CE1-CG1 4.37Å; F784-I792 HydrophobicContact CZ-CD1 3.85Å; Q788-I792 PolarHBondContact O-N 3.04Å; M789-I792 PolarHBondContact O-N 3.25Å; V790-I792 VanDerWaalsContact C-N 3.27Å; V790-I792 PolarHBondContact O-N 3.06Å; I792-D794 VanDerWaalsContact C-N 3.25Å; I792-D794 PolarHBondContact O-N 3.46Å; I792-S795 CarbonylContact O-C 3.59Å; I792-S795 PolarHBondContact O-N 2.67Å; I792-C796 HydrophobicContact CG2-CB 4.48Å; I792-C796 WeakPolarHBondContact O-CB 3.35Å; I792-C796 PolarHBondContact O-N 2.79Å; I792-P800 HydrophobicContact CG2-CG 4.01Å |
| 793 | M | 80.1 | Confident | 83.4 | Confident | 42 Ų | 42 | 45 Ų | 45 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -30.2 | 178.7 | -69.3 | -168.5 | -54.1 | 0 | 0 | 113.2 | M789 V790 S795 F819 I825 | M789-M793 WeakPolarHBondContact O-CG 3.2Å; M789-M793 PolarHBondContact O-N 2.69Å; V790-M793 HydrophobicContact CG2-CE 4.48Å; V790-M793 CarbonylContact O-C 3.49Å; V790-M793 PolarHBondContact O-N 3.07Å; M793-S795 PolarHBondContact O-N 2.89Å; M793-F819 HydrophobicContact CE-CE1 4.1Å; M793-F819 HydrophobicContact CE-CE2 4.45Å; M793-F819 HydrophobicContact CE-CZ 3.53Å; M793-I825 HydrophobicContact SD-CD1 4.28Å |
| 794 | D | 78.6 | Confident | 83.9 | Confident | 125 Ų | 125 | 43.9 Ų | 43.9 | 67% | 0.668 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -11.8 | 172.7 | -62.3 | -31 | 0 | 0 | 0 | 113.3 | V790 I792 | V790-D794 WeakPolarHBondContact CG1-OD2 3.47Å; V790-D794 PolarHBondContact O-N 3Å; I792-D794 VanDerWaalsContact C-N 3.25Å; I792-D794 PolarHBondContact O-N 3.46Å |
| 795 | S | 74.7 | Confident | 84.2 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -18.1 | -171.7 | -57.5 | 0 | 0 | 0 | 0 | 115.2 | V760 R791 I792 M793 | V760-S795 WeakPolarHBondContact CG1-OG 3.3Å; R791-S795 PolarHBondContact O-OG 2.95Å; R791-S795 VanDerWaalsContact O-OG 3.06Å; I792-S795 CarbonylContact O-C 3.59Å; I792-S795 PolarHBondContact O-N 2.67Å; M793-S795 PolarHBondContact O-N 2.89Å |
| 796 | C | 83.3 | Confident | 84.5 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -85.8 | 145.5 | -176.1 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | S764 E768 I792 V798 | S764-C796 VanDerWaalsContact OG-CA 3.23Å; S764-C796 WeakPolarHBondContact OG-CA 3.49Å; S764-C796 WeakPolarHBondContact OG-CB 3.47Å; E768-C796 WeakPolarHBondContact OE1-CA 3.26Å; I792-C796 HydrophobicContact CG2-CB 4.48Å; I792-C796 WeakPolarHBondContact O-CB 3.35Å; I792-C796 PolarHBondContact O-N 2.79Å; C796-V798 WeakPolarHBondContact CB-O 3.24Å | ||
| 797 | T | 83.7 | Confident | 85.2 | Confident | 112 Ų | 112 | 37.5 Ų | 37.5 | 69% | 0.687 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -91 | -29.5 | 166.5 | 76.4 | 0 | 0 | 0 | 0 | 111.8 | F765 E768 | F765-T797 HydrophobicContact CE1-CG2 4.39Å; E768-T797 VanDerWaalsContact CD-OG1 3.28Å; E768-T797 PolarHBondContact OE1-N 3.28Å; E768-T797 PolarHBondContact OE2-OG1 3.42Å |
| 798 | V | 86.7 | Confident | 86.2 | Confident | 47 Ų | 47 | 33.2 Ų | 33.2 | 29% | 0.285 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -112.9 | 125.8 | 172 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | E768 L771 I779 C796 | E768-V798 HydrophobicContact CG-CB 3.95Å; E768-V798 HydrophobicContact CG-CG2 4.02Å; E768-V798 PolarHBondContact OE1-N 3.49Å; L771-V798 HydrophobicContact CD2-CB 4.49Å; L771-V798 HydrophobicContact CD2-CG1 3.83Å; I779-V798 HydrophobicContact CD1-CB 4.31Å; I779-V798 HydrophobicContact CD1-CG1 4.31Å; C796-V798 WeakPolarHBondContact CB-O 3.24Å |
| 799 | K | 88.8 | Confident | 86.9 | Confident | 67 Ų | 67 | 31.4 Ų | 31.4 | 29% | 0.291 | 17% | 0.167 | S | C | . | . | trans | -67 | 146.1 | -177.3 | -162.3 | 172.5 | -163.4 | 171 | 0 | 111.6 | H615 H801 H823 | H615-K799 PolarHBondContact CE1-O 3.39Å; K799-H801 PolarHBondContact O-CE1 3.49Å; K799-H801 PolarHBondContact O-N 3.4Å; K799-H801 PolarHBondContact O-ND1 3.18Å; K799-H801 VanDerWaalsContact O-ND1 3.17Å; K799-H823 VanDerWaalsContact CE-O 3.27Å; K799-H823 WeakPolarHBondContact CE-O 3.37Å; K799-H823 PolarHBondContact NZ-O 3.45Å | ||
| 800 | P | 93.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 31.4 Ų | 31.4 | 5% | 0.045 | 17% | 0.167 | C | C | . | . | trans | -55.6 | 132.8 | 165 | -27.7 | 36.6 | 0 | 0 | 0 | 112.1 | H615 L781 I792 | H615-P800 PolarHBondContact CE1-O 3.41Å; L781-P800 HydrophobicContact CD1-CB 4.21Å; L781-P800 HydrophobicContact CD1-CG 3.86Å; L781-P800 HydrophobicContact CG-CB 4.09Å; L781-P800 HydrophobicContact CG-CG 4.04Å; I792-P800 HydrophobicContact CG2-CG 4.01Å | ||
| 801 | H | 95.8 | Very high | 87.9 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -88 | -31.3 | -176.9 | -60 | 66.9 | 0 | 0 | 0 | 112.2 | L614 H615 N616 I779 K799 S826 | L614-H801 HydrophobicContact CD1-CB 4.34Å; H615-H801 AromaticContact CE1-CD2 3.63Å; H615-H801 AromaticContact CE1-CG 3.56Å; H615-H801 AromaticContact CE1-ND1 3.84Å; H615-H801 AromaticContact CE1-NE2 3.97Å; H615-H801 AromaticContact NE2-CD2 3.83Å; H615-H801 AromaticContact NE2-NE2 3.8Å; N616-H801 PolarHBondContact ND2-CD2 3.13Å; N616-H801 PolarHBondContact ND2-NE2 2.9Å; I779-H801 PolarHBondContact N-ND1 2.87Å; I779-H801 WeakPolarHBondContact O-CB 3.24Å; I779-H801 PolarHBondContact O-N 3.29Å; I779-H801 PolarHBondContact O-ND1 2.81Å; K799-H801 PolarHBondContact O-CE1 3.49Å; K799-H801 PolarHBondContact O-N 3.4Å; K799-H801 PolarHBondContact O-ND1 3.18Å; K799-H801 VanDerWaalsContact O-ND1 3.17Å; H801-S826 PolarHBondContact O-N 3.32Å; H801-S826 PolarHBondContact O-OG 3.17Å |
| 802 | N | 97.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 148 | -176.9 | -174.9 | -102.5 | 0 | 0 | 0 | 111 | L714 L716 G780 L781 S826 T828 | L714-N802 HydrophobicContact CD1-CB 4.12Å; L714-N802 HydrophobicContact CD2-CB 3.86Å; L716-N802 HydrophobicContact CD2-CB 4.44Å; G780-N802 VanDerWaalsContact CA-O 3.29Å; G780-N802 WeakPolarHBondContact CA-O 3.44Å; L781-N802 PolarHBondContact N-O 3.05Å; N802-S826 CarbonylContact C-O 3.36Å; N802-S826 WeakPolarHBondContact CA-O 3.44Å; N802-S826 WeakPolarHBondContact CA-OG 3.48Å; N802-S826 WeakPolarHBondContact CB-OG 3.15Å; N802-S826 PolarHBondContact ND2-O 3.04Å; N802-S826 PolarHBondContact ND2-OG 2.77Å; N802-T828 VanDerWaalsContact CG-OG1 3.32Å; N802-T828 PolarHBondContact ND2-OG1 3.33Å; N802-T828 PolarHBondContact OD1-OG1 2.87Å |
| 803 | L | 97.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121 | 165.2 | 179.2 | 71.9 | 0 | 0 | 0 | 109.6 | L781 F784 M789 V805 L816 C820 I825 S826 F827 T828 | L781-L803 HydrophobicContact CB-CD1 3.89Å; L781-L803 CarbonylContact O-C 3.56Å; L781-L803 WeakPolarHBondContact O-CA 3.25Å; F784-L803 HydrophobicContact CB-CD1 3.98Å; M789-L803 HydrophobicContact CE-CB 4.42Å; M789-L803 HydrophobicContact CE-CD1 4.46Å; M789-L803 HydrophobicContact CE-CD2 4.14Å; M789-L803 HydrophobicContact SD-CD1 4.26Å; M789-L803 HydrophobicContact SD-CD2 3.64Å; M789-L803 HydrophobicContact SD-CG 4.48Å; L803-V805 HydrophobicContact CD1-CG1 4.24Å; L803-V805 HydrophobicContact CD2-CG1 4.21Å; L803-V805 HydrophobicContact CG-CG1 4.03Å; L803-L816 HydrophobicContact CD2-CD1 4.03Å; L803-L816 HydrophobicContact CD2-CD2 3.93Å; L803-L816 HydrophobicContact CD2-CG 3.84Å; L803-C820 VanDerWaalsContact CD2-SG 3.55Å; L803-I825 HydrophobicContact CB-CG2 4.32Å; L803-S826 PolarHBondContact N-O 2.69Å; L803-F827 HydrophobicContact CD2-CD2 4.33Å; L803-F827 HydrophobicContact CD2-CE2 3.91Å; L803-T828 PolarHBondContact O-N 2.92Å |
| 804 | Q | 96.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.3 | 176.8 | 176.8 | 170.2 | -15.1 | 0 | 0 | 111.8 | D651 K685 L716 L781 S782 N783 T828 Y830 I889 | D651-Q804 PolarHBondContact OD1-NE2 2.97Å; D651-Q804 PolarHBondContact OD2-OE1 3.24Å; K685-Q804 VanDerWaalsContact CE-CD 3.4Å; L716-Q804 HydrophobicContact CD1-CB 3.89Å; L781-Q804 PolarHBondContact O-N 2.89Å; S782-Q804 CarbonylContact C-O 3.54Å; S782-Q804 WeakPolarHBondContact CA-O 3.44Å; S782-Q804 WeakPolarHBondContact CB-O 3.44Å; S782-Q804 PolarHBondContact OG-O 2.85Å; N783-Q804 PolarHBondContact N-O 3.1Å; Q804-T828 WeakPolarHBondContact CA-O 3.22Å; Q804-T828 HydrophobicContact CB-CG2 4.39Å; Q804-T828 HydrophobicContact CG-CG2 4.05Å; Q804-Y830 HydrophobicContact CG-CD1 3.99Å; Q804-I889 HydrophobicContact CG-CD1 4.41Å |
| 805 | V | 91 | Very high | 90 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.3 | -177.4 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | L803 C807 Q813 L816 F827 T828 Y830 | L803-V805 HydrophobicContact CD1-CG1 4.24Å; L803-V805 HydrophobicContact CD2-CG1 4.21Å; L803-V805 HydrophobicContact CG-CG1 4.03Å; V805-C807 PolarHBondContact O-N 3.37Å; V805-Q813 HydrophobicContact CG2-CG 4.25Å; V805-L816 HydrophobicContact CG1-CD2 4.19Å; V805-L816 HydrophobicContact CG2-CD2 4.28Å; V805-F827 HydrophobicContact CG2-CE1 3.64Å; V805-F827 HydrophobicContact CG2-CE2 4.17Å; V805-F827 HydrophobicContact CG2-CZ 3.38Å; V805-T828 PolarHBondContact N-O 3.33Å; V805-Y830 WeakPolarHBondContact O-CD1 3.34Å; V805-Y830 PolarHBondContact O-N 3.18Å |
| 806 | E | 87 | Confident | 90.5 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 117.7 | 165.4 | -178.4 | -177.5 | -152.6 | 0 | 0 | 108.4 | H808 Q813 Y830 R925 I926 A927 | E806-H808 IonicContact OE1-NE2 3.72Å; E806-Q813 VanDerWaalsContact O-CG 3.25Å; E806-Q813 WeakPolarHBondContact O-CG 2.77Å; E806-Q813 PolarHBondContact O-NE2 2.81Å; E806-Y830 HydrophobicContact CB-CD2 4.32Å; E806-Y830 HydrophobicContact CB-CE1 4.41Å; E806-Y830 HydrophobicContact CB-CE2 3.65Å; E806-Y830 HydrophobicContact CG-CE2 4.32Å; E806-Y830 VanDerWaalsContact N-CZ 3.31Å; E806-R925 WeakPolarHBondContact OE1-CB 3.42Å; E806-R925 WeakPolarHBondContact OE2-CB 3.48Å; E806-R925 WeakPolarHBondContact OE2-CD 3.25Å; E806-R925 VanDerWaalsContact OE2-CG 3.24Å; E806-R925 WeakPolarHBondContact OE2-CG 3.46Å; E806-R925 IonicContact OE2-CZ 3.97Å; E806-R925 IonicContact OE2-NE 2.74Å; E806-R925 IonicContact OE2-NH1 3.73Å; E806-R925 PolarHBondContact OE2-NH1 3.47Å; E806-I926 PolarHBondContact OE1-N 3.23Å; E806-A927 PolarHBondContact OE1-N 3.15Å |
| 807 | C | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -151.7 | 121.7 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | V805 W811 P812 Q813 F827 A829 Y830 P832 | V805-C807 PolarHBondContact O-N 3.37Å; C807-W811 WeakPolarHBondContact CA-O 3.43Å; C807-P812 PolarHBondContact SG-O 2.87Å; C807-Q813 HydrophobicContact CB-CG 3.96Å; C807-F827 HydrophobicContact CB-CE1 4.24Å; C807-A829 HydrophobicContact CB-CB 3.72Å; C807-Y830 PolarHBondContact N-O 2.95Å; C807-P832 WeakPolarHBondContact O-CA 3.42Å | ||
| 808 | H | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -158.3 | 178.6 | -178.6 | 51.9 | 80.9 | 0 | 0 | 0 | 109.9 | E806 Y810 W811 P812 P832 P856 Q924 I926 | E806-H808 IonicContact OE1-NE2 3.72Å; H808-Y810 VanDerWaalsContact C-N 3.29Å; H808-Y810 PolarHBondContact ND1-N 2.6Å; H808-Y810 PolarHBondContact O-N 2.84Å; H808-W811 VanDerWaalsContact CE1-CB 3.43Å; H808-W811 WeakPolarHBondContact CE1-CB 3.44Å; H808-W811 PolarHBondContact CE1-N 3.42Å; H808-W811 PolarHBondContact N-O 3.04Å; H808-W811 VanDerWaalsContact N-O 3.1Å; H808-W811 PolarHBondContact ND1-N 2.74Å; H808-W811 CarbonylContact O-C 3.56Å; H808-W811 WeakPolarHBondContact O-CA 3.48Å; H808-W811 PolarHBondContact O-N 2.76Å; H808-W811 VanDerWaalsContact O-O 3.12Å; H808-P812 WeakPolarHBondContact O-CA 3.43Å; H808-P832 WeakPolarHBondContact CB-O 3.35Å; H808-P856 HydrophobicContact CB-CG 4.16Å; H808-Q924 PolarHBondContact CE1-O 2.69Å; H808-I926 VanDerWaalsContact CE1-CD1 3.48Å; H808-I926 WeakPolarHBondContact CE1-CD1 3.48Å; H808-I926 WeakPolarHBondContact NE2-CD1 3.47Å |
| 809 | L | 93.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -47.8 | -177 | -175.1 | 63.5 | 0 | 0 | 0 | 113.2 | W811 P856 D859 L877 W880 L917 V920 R923 | L809-W811 VanDerWaalsContact C-N 3.35Å; L809-P856 HydrophobicContact CB-CB 4.28Å; L809-D859 HydrophobicContact CD2-CB 3.98Å; L809-L877 HydrophobicContact CB-CD2 3.83Å; L809-L877 HydrophobicContact CD2-CD2 3.89Å; L809-L877 HydrophobicContact CG-CD2 4.42Å; L809-W880 HydrophobicContact CB-CZ3 4.44Å; L809-W880 HydrophobicContact CD1-CH2 4.44Å; L809-W880 HydrophobicContact CD1-CZ2 4.46Å; L809-L917 HydrophobicContact CD1-CB 3.99Å; L809-L917 HydrophobicContact CD1-CD2 3.8Å; L809-L917 WeakPolarHBondContact CD1-O 3.46Å; L809-L917 HydrophobicContact CD2-CD2 4.2Å; L809-V920 HydrophobicContact CD1-CB 4.23Å; L809-V920 HydrophobicContact CD1-CG2 4.07Å; L809-V920 HydrophobicContact CD2-CG1 4.47Å; L809-V920 HydrophobicContact CD2-CG2 4.38Å; L809-V920 HydrophobicContact CG-CB 4.4Å; L809-V920 HydrophobicContact CG-CG1 4.25Å; L809-V920 HydrophobicContact CG-CG2 4.4Å; L809-R923 PolarHBondContact O-NH1 3.2Å |
| 810 | Y | 91.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.9 | 178.6 | -57.2 | -20 | 0 | 0 | 0 | 115.3 | H808 R854 P856 D859 V920 I922 R923 Q924 | H808-Y810 VanDerWaalsContact C-N 3.29Å; H808-Y810 PolarHBondContact ND1-N 2.6Å; H808-Y810 PolarHBondContact O-N 2.84Å; Y810-R854 WeakPolarHBondContact CD2-O 3.21Å; Y810-R854 HydrophobicContact CE2-CB 3.71Å; Y810-R854 WeakPolarHBondContact CE2-O 3.3Å; Y810-P856 HydrophobicContact CD2-CG 3.97Å; Y810-P856 HydrophobicContact CE2-CG 4.44Å; Y810-P856 HydrophobicContact CG-CG 4.3Å; Y810-D859 HydrophobicContact CE1-CB 4.32Å; Y810-D859 VanDerWaalsContact CE1-OD2 3.23Å; Y810-D859 WeakPolarHBondContact CE1-OD2 3.43Å; Y810-D859 VanDerWaalsContact OH-CB 3.31Å; Y810-D859 WeakPolarHBondContact OH-CB 3.47Å; Y810-D859 PolarHBondContact OH-OD2 2.96Å; Y810-V920 HydrophobicContact CD1-CG1 4.01Å; Y810-V920 HydrophobicContact CE1-CG1 3.83Å; Y810-I922 WeakPolarHBondContact CA-O 3.11Å; Y810-I922 HydrophobicContact CD1-CB 3.63Å; Y810-I922 HydrophobicContact CD1-CD1 4.28Å; Y810-I922 HydrophobicContact CD1-CG2 3.79Å; Y810-I922 HydrophobicContact CD2-CG2 3.96Å; Y810-I922 HydrophobicContact CE1-CB 3.93Å; Y810-I922 HydrophobicContact CE1-CD1 3.67Å; Y810-I922 HydrophobicContact CE1-CG1 4.31Å; Y810-I922 HydrophobicContact CE1-CG2 4.24Å; Y810-I922 HydrophobicContact CE2-CD1 4.35Å; Y810-I922 HydrophobicContact CE2-CG2 4.38Å; Y810-I922 HydrophobicContact CG-CB 4.03Å; Y810-I922 HydrophobicContact CG-CG2 3.62Å; Y810-R923 CarbonylContact O-C 3.6Å; Y810-R923 VanDerWaalsContact O-CA 3.24Å; Y810-R923 WeakPolarHBondContact O-CA 3.33Å; Y810-Q924 CarbonylContact C-O 3.19Å; Y810-Q924 PolarHBondContact O-N 3.34Å; Y810-Q924 VanDerWaalsContact O-O 3.12Å |
| 811 | W | 87.2 | Confident | 90.8 | Very high | 66 Ų | 66 | 25.2 Ų | 25.2 | 25% | 0.25 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -141.9 | 73.5 | 173.5 | -160.5 | -104.1 | 0 | 0 | 0 | 110 | C807 H808 L809 Q813 R925 | C807-W811 WeakPolarHBondContact CA-O 3.43Å; H808-W811 VanDerWaalsContact CE1-CB 3.43Å; H808-W811 WeakPolarHBondContact CE1-CB 3.44Å; H808-W811 PolarHBondContact CE1-N 3.42Å; H808-W811 PolarHBondContact N-O 3.04Å; H808-W811 VanDerWaalsContact N-O 3.1Å; H808-W811 PolarHBondContact ND1-N 2.74Å; H808-W811 CarbonylContact O-C 3.56Å; H808-W811 WeakPolarHBondContact O-CA 3.48Å; H808-W811 PolarHBondContact O-N 2.76Å; H808-W811 VanDerWaalsContact O-O 3.12Å; L809-W811 VanDerWaalsContact C-N 3.35Å; W811-Q813 VanDerWaalsContact C-N 3.34Å; W811-Q813 VanDerWaalsContact NE1-NE2 3.15Å; W811-Q813 PolarHBondContact O-N 2.89Å; W811-R925 HydrophobicContact CD2-CG 3.51Å; W811-R925 HydrophobicContact CE3-CG 3.85Å; W811-R925 HydrophobicContact CG-CG 3.95Å; W811-R925 HydrophobicContact CH2-CG 4.23Å; W811-R925 HydrophobicContact CZ2-CG 3.94Å; W811-R925 HydrophobicContact CZ3-CG 4.18Å |
| 812 | P | 91.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | trans | -80.5 | -8 | -161.2 | 32.1 | -39.3 | 0 | 0 | 0 | 115.2 | C807 H808 F814 W880 R884 | C807-P812 PolarHBondContact SG-O 2.87Å; H808-P812 WeakPolarHBondContact O-CA 3.43Å; P812-F814 VanDerWaalsContact C-N 3.26Å; P812-F814 HydrophobicContact CB-CD1 4.26Å; P812-F814 HydrophobicContact CB-CD2 3.86Å; P812-F814 HydrophobicContact CB-CE1 3.92Å; P812-F814 HydrophobicContact CB-CE2 3.51Å; P812-F814 HydrophobicContact CB-CG 4.23Å; P812-F814 HydrophobicContact CB-CZ 3.53Å; P812-F814 HydrophobicContact CG-CD2 3.55Å; P812-F814 HydrophobicContact CG-CE2 3.32Å; P812-F814 HydrophobicContact CG-CG 4.31Å; P812-F814 HydrophobicContact CG-CZ 3.91Å; P812-F814 PolarHBondContact O-N 2.74Å; P812-F814 VanDerWaalsContact O-N 3.15Å; P812-W880 HydrophobicContact CB-CH2 3.88Å; P812-W880 HydrophobicContact CB-CZ2 4.28Å; P812-R884 PolarHBondContact O-NH1 2.71Å; P812-R884 PolarHBondContact O-NH2 2.87Å | ||
| 813 | Q | 89.9 | Confident | 89.7 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | trans | 51.1 | 34.5 | 175.8 | -59.1 | -83.3 | 21.8 | 0 | 0 | 114.8 | V805 E806 C807 W811 E815 L816 H817 F827 | V805-Q813 HydrophobicContact CG2-CG 4.25Å; E806-Q813 VanDerWaalsContact O-CG 3.25Å; E806-Q813 WeakPolarHBondContact O-CG 2.77Å; E806-Q813 PolarHBondContact O-NE2 2.81Å; C807-Q813 HydrophobicContact CB-CG 3.96Å; W811-Q813 VanDerWaalsContact C-N 3.34Å; W811-Q813 VanDerWaalsContact NE1-NE2 3.15Å; W811-Q813 PolarHBondContact O-N 2.89Å; Q813-E815 PolarHBondContact O-N 2.99Å; Q813-L816 PolarHBondContact O-N 3.28Å; Q813-H817 VanDerWaalsContact O-CB 3.22Å; Q813-H817 WeakPolarHBondContact O-CB 3.37Å; Q813-H817 PolarHBondContact O-N 3.07Å; Q813-F827 HydrophobicContact CB-CE1 4.23Å; Q813-F827 HydrophobicContact CB-CZ 3.81Å; Q813-F827 HydrophobicContact CG-CZ 4.4Å | ||
| 814 | F | 91.8 | Very high | 89.2 | Confident | 59 Ų | 59 | 40.6 Ų | 40.6 | 26% | 0.259 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56.4 | -46.2 | -170.3 | -67.7 | -57.8 | 0 | 0 | 0 | 113.3 | P812 E818 W880 N918 | P812-F814 VanDerWaalsContact C-N 3.26Å; P812-F814 HydrophobicContact CB-CD1 4.26Å; P812-F814 HydrophobicContact CB-CD2 3.86Å; P812-F814 HydrophobicContact CB-CE1 3.92Å; P812-F814 HydrophobicContact CB-CE2 3.51Å; P812-F814 HydrophobicContact CB-CG 4.23Å; P812-F814 HydrophobicContact CB-CZ 3.53Å; P812-F814 HydrophobicContact CG-CD2 3.55Å; P812-F814 HydrophobicContact CG-CE2 3.32Å; P812-F814 HydrophobicContact CG-CG 4.31Å; P812-F814 HydrophobicContact CG-CZ 3.91Å; P812-F814 PolarHBondContact O-N 2.74Å; P812-F814 VanDerWaalsContact O-N 3.15Å; F814-E818 VanDerWaalsContact O-CB 3.26Å; F814-E818 WeakPolarHBondContact O-CB 3.49Å; F814-E818 PolarHBondContact O-N 2.89Å; F814-W880 HydrophobicContact CE1-CZ2 4.47Å; F814-W880 HydrophobicContact CZ-CZ2 4.38Å; F814-N918 WeakPolarHBondContact CE1-OD1 3.39Å; F814-N918 HydrophobicContact CZ-CB 3.97Å |
| 815 | E | 84.3 | Confident | 89 | Confident | 138 Ų | 138 | 40.7 Ų | 40.7 | 65% | 0.645 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -70.2 | -38.6 | -176.2 | -57.5 | 76.7 | -171.7 | 0 | 0 | 112 | Q813 F819 | Q813-E815 PolarHBondContact O-N 2.99Å; E815-F819 WeakPolarHBondContact O-CB 3.35Å; E815-F819 PolarHBondContact O-N 3.03Å |
| 816 | L | 86.7 | Confident | 89.1 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.8 | -38.6 | 178 | -173.2 | 66.4 | 0 | 0 | 0 | 111.1 | I786 M789 L803 V805 Q813 F819 C820 F827 | I786-L816 HydrophobicContact CG1-CD1 3.6Å; M789-L816 HydrophobicContact SD-CD1 3.97Å; L803-L816 HydrophobicContact CD2-CD1 4.03Å; L803-L816 HydrophobicContact CD2-CD2 3.93Å; L803-L816 HydrophobicContact CD2-CG 3.84Å; V805-L816 HydrophobicContact CG1-CD2 4.19Å; V805-L816 HydrophobicContact CG2-CD2 4.28Å; Q813-L816 PolarHBondContact O-N 3.28Å; L816-F819 PolarHBondContact O-N 2.95Å; L816-C820 PolarHBondContact O-N 2.91Å; L816-C820 PolarHBondContact O-SG 3.34Å; L816-F827 HydrophobicContact CB-CE2 4.41Å; L816-F827 HydrophobicContact CD2-CE2 4.38Å; L816-F827 HydrophobicContact CD2-CZ 4.37Å; L816-F827 HydrophobicContact CG-CE2 4.03Å; L816-F827 HydrophobicContact CG-CZ 4.39Å |
| 817 | H | 92.9 | Very high | 89.5 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 7% | 0.069 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 173.3 | 173 | -113.4 | 0 | 0 | 0 | 112 | Q813 F819 C820 K821 F827 R884 | Q813-H817 VanDerWaalsContact O-CB 3.22Å; Q813-H817 WeakPolarHBondContact O-CB 3.37Å; Q813-H817 PolarHBondContact O-N 3.07Å; H817-F819 VanDerWaalsContact C-N 3.34Å; H817-F819 PolarHBondContact O-N 3.06Å; H817-C820 WeakPolarHBondContact O-CB 3.26Å; H817-C820 PolarHBondContact O-N 3.45Å; H817-K821 VanDerWaalsContact CE1-CE 3.48Å; H817-K821 WeakPolarHBondContact CE1-CE 3.5Å; H817-K821 WeakPolarHBondContact NE2-CE 3.43Å; H817-K821 PolarHBondContact O-N 2.64Å; H817-F827 HydrophobicContact CB-CD2 4.23Å; H817-F827 HydrophobicContact CB-CE1 4.38Å; H817-F827 HydrophobicContact CB-CE2 4Å; H817-F827 HydrophobicContact CB-CG 4.49Å; H817-F827 HydrophobicContact CB-CZ 4.08Å; H817-F827 AromaticContact CD2-CG 3.8Å; H817-R884 PolarHBondContact CE1-O 3.19Å; H817-R884 PolarHBondContact NE2-O 2.72Å |
| 818 | E | 87.9 | Confident | 89.8 | Confident | 76 Ų | 76 | 41.1 Ų | 41.1 | 36% | 0.355 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.7 | 176.8 | 61 | -170.8 | 0 | 0 | 111.9 | F814 K821 R822 | F814-E818 VanDerWaalsContact O-CB 3.26Å; F814-E818 WeakPolarHBondContact O-CB 3.49Å; F814-E818 PolarHBondContact O-N 2.89Å; E818-K821 PolarHBondContact O-N 3.47Å; E818-R822 VanDerWaalsContact O-CG 3.29Å; E818-R822 WeakPolarHBondContact O-CG 3.33Å; E818-R822 PolarHBondContact O-N 3.07Å; E818-R822 IonicContact OE1-CZ 3.61Å; E818-R822 IonicContact OE1-NE 2.69Å; E818-R822 PolarHBondContact OE1-NE 2.78Å; E818-R822 IonicContact OE1-NH2 3.73Å; E818-R822 PolarHBondContact OE1-NH2 2.92Å |
| 819 | F | 87.8 | Confident | 89.9 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 13% | 0.127 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 171.5 | 178.1 | -96.3 | 0 | 0 | 0 | 112.1 | I786 M789 V790 M793 E815 L816 H817 H823 | I786-F819 HydrophobicContact CD1-CB 4.3Å; I786-F819 HydrophobicContact CG1-CB 4.24Å; I786-F819 HydrophobicContact CG1-CD1 4.27Å; I786-F819 HydrophobicContact CG1-CD2 4.49Å; I786-F819 HydrophobicContact CG1-CG 4.09Å; I786-F819 HydrophobicContact CG2-CD2 3.88Å; I786-F819 HydrophobicContact CG2-CE1 4.44Å; I786-F819 HydrophobicContact CG2-CE2 3.76Å; I786-F819 HydrophobicContact CG2-CG 4.27Å; I786-F819 HydrophobicContact CG2-CZ 4.04Å; M789-F819 HydrophobicContact CB-CE1 3.75Å; M789-F819 HydrophobicContact CB-CZ 4.33Å; M789-F819 HydrophobicContact CE-CD1 4.38Å; M789-F819 HydrophobicContact CE-CE1 4.08Å; M789-F819 HydrophobicContact CG-CE1 4.4Å; M789-F819 HydrophobicContact SD-CD1 3.93Å; M789-F819 HydrophobicContact SD-CE1 3.75Å; V790-F819 HydrophobicContact CG2-CE2 4.19Å; V790-F819 HydrophobicContact CG2-CZ 3.87Å; M793-F819 HydrophobicContact CE-CE1 4.1Å; M793-F819 HydrophobicContact CE-CE2 4.45Å; M793-F819 HydrophobicContact CE-CZ 3.53Å; E815-F819 WeakPolarHBondContact O-CB 3.35Å; E815-F819 PolarHBondContact O-N 3.03Å; L816-F819 PolarHBondContact O-N 2.95Å; H817-F819 VanDerWaalsContact C-N 3.34Å; H817-F819 PolarHBondContact O-N 3.06Å; F819-H823 AromaticContact CD2-CD2 3.87Å; F819-H823 AromaticContact CD2-NE2 3.98Å; F819-H823 AromaticContact CE1-CD2 3.8Å; F819-H823 AromaticContact CE2-CD2 3.55Å; F819-H823 AromaticContact CE2-NE2 3.41Å; F819-H823 WeakPolarHBondContact CE2-NE2 3.48Å; F819-H823 AromaticContact CZ-CD2 3.53Å; F819-H823 AromaticContact CZ-NE2 3.69Å; F819-H823 WeakPolarHBondContact O-CB 3.49Å; F819-H823 PolarHBondContact O-CD2 3.41Å; F819-H823 VanDerWaalsContact O-CD2 3.32Å; F819-H823 PolarHBondContact O-N 2.76Å |
| 820 | C | 88.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | 175.5 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | L803 L816 H817 H823 S824 I825 F827 | L803-C820 VanDerWaalsContact CD2-SG 3.55Å; L816-C820 PolarHBondContact O-N 2.91Å; L816-C820 PolarHBondContact O-SG 3.34Å; H817-C820 WeakPolarHBondContact O-CB 3.26Å; H817-C820 PolarHBondContact O-N 3.45Å; C820-H823 CarbonylContact O-C 3.35Å; C820-H823 WeakPolarHBondContact O-CA 3.44Å; C820-H823 PolarHBondContact O-N 3.44Å; C820-S824 PolarHBondContact O-N 2.93Å; C820-I825 CarbonylContact C-O 3.59Å; C820-I825 HydrophobicContact CB-CB 4.17Å; C820-I825 WeakPolarHBondContact CB-O 3.25Å; C820-I825 PolarHBondContact O-N 2.78Å; C820-F827 HydrophobicContact CB-CD2 3.88Å |
| 821 | K | 84.1 | Confident | 89.7 | Confident | 86 Ų | 86 | 43.9 Ų | 43.9 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 176.2 | -82.4 | -169.8 | 163.9 | -179.6 | 0 | 112.3 | H817 E818 H823 S824 R884 D885 | H817-K821 VanDerWaalsContact CE1-CE 3.48Å; H817-K821 WeakPolarHBondContact CE1-CE 3.5Å; H817-K821 WeakPolarHBondContact NE2-CE 3.43Å; H817-K821 PolarHBondContact O-N 2.64Å; E818-K821 PolarHBondContact O-N 3.47Å; K821-H823 PolarHBondContact O-N 3.04Å; K821-S824 PolarHBondContact O-N 2.75Å; K821-R884 WeakPolarHBondContact CE-O 3.48Å; K821-R884 PolarHBondContact NZ-O 3.32Å; K821-D885 WeakPolarHBondContact CE-OD2 3.08Å; K821-D885 IonicContact NZ-OD2 2.73Å; K821-D885 PolarHBondContact NZ-OD2 2.76Å |
| 822 | R | 84.5 | Confident | 89.9 | Confident | 181 Ų | 181 | 40.8 Ų | 40.8 | 68% | 0.683 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -59.1 | -19.3 | 174.7 | -70.2 | 172.9 | -171.6 | -176.2 | 6.1 | 114.2 | E818 | E818-R822 VanDerWaalsContact O-CG 3.29Å; E818-R822 WeakPolarHBondContact O-CG 3.33Å; E818-R822 PolarHBondContact O-N 3.07Å; E818-R822 IonicContact OE1-CZ 3.61Å; E818-R822 IonicContact OE1-NE 2.69Å; E818-R822 PolarHBondContact OE1-NE 2.78Å; E818-R822 IonicContact OE1-NH2 3.73Å; E818-R822 PolarHBondContact OE1-NH2 2.92Å |
| 823 | H | 86.1 | Confident | 89.9 | Confident | 60 Ų | 60 | 41.6 Ų | 41.6 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 7 | 179.8 | -75.5 | -40.4 | 0 | 0 | 0 | 114.1 | K799 F819 C820 K821 I825 | K799-H823 VanDerWaalsContact CE-O 3.27Å; K799-H823 WeakPolarHBondContact CE-O 3.37Å; K799-H823 PolarHBondContact NZ-O 3.45Å; F819-H823 AromaticContact CD2-CD2 3.87Å; F819-H823 AromaticContact CD2-NE2 3.98Å; F819-H823 AromaticContact CE1-CD2 3.8Å; F819-H823 AromaticContact CE2-CD2 3.55Å; F819-H823 AromaticContact CE2-NE2 3.41Å; F819-H823 WeakPolarHBondContact CE2-NE2 3.48Å; F819-H823 AromaticContact CZ-CD2 3.53Å; F819-H823 AromaticContact CZ-NE2 3.69Å; F819-H823 WeakPolarHBondContact O-CB 3.49Å; F819-H823 PolarHBondContact O-CD2 3.41Å; F819-H823 VanDerWaalsContact O-CD2 3.32Å; F819-H823 PolarHBondContact O-N 2.76Å; C820-H823 CarbonylContact O-C 3.35Å; C820-H823 WeakPolarHBondContact O-CA 3.44Å; C820-H823 PolarHBondContact O-N 3.44Å; K821-H823 PolarHBondContact O-N 3.04Å; H823-I825 HydrophobicContact CB-CD1 4.13Å; H823-I825 HydrophobicContact CB-CG1 4.07Å; H823-I825 PolarHBondContact O-N 3.49Å |
| 824 | S | 87 | Confident | 89.5 | Confident | 86 Ų | 86 | 40.7 Ų | 40.7 | 60% | 0.601 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 33.1 | -177.4 | -46.4 | 0 | 0 | 0 | 0 | 113.3 | C820 K821 | C820-S824 PolarHBondContact O-N 2.93Å; K821-S824 PolarHBondContact O-N 2.75Å |
| 825 | I | 92 | Very high | 88.6 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | -98.6 | 126.5 | 173.1 | -52.8 | 179.8 | 0 | 0 | 0 | 106.9 | M789 M793 L803 C820 H823 | M789-I825 HydrophobicContact CE-CD1 3.58Å; M793-I825 HydrophobicContact SD-CD1 4.28Å; L803-I825 HydrophobicContact CB-CG2 4.32Å; C820-I825 CarbonylContact C-O 3.59Å; C820-I825 HydrophobicContact CB-CB 4.17Å; C820-I825 WeakPolarHBondContact CB-O 3.25Å; C820-I825 PolarHBondContact O-N 2.78Å; H823-I825 HydrophobicContact CB-CD1 4.13Å; H823-I825 HydrophobicContact CB-CG1 4.07Å; H823-I825 PolarHBondContact O-N 3.49Å | ||
| 826 | S | 92.9 | Very high | 87.4 | Confident | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 156.9 | 176.1 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | L614 H801 N802 L803 | L614-S826 WeakPolarHBondContact CD2-OG 3.22Å; H801-S826 PolarHBondContact O-N 3.32Å; H801-S826 PolarHBondContact O-OG 3.17Å; N802-S826 CarbonylContact C-O 3.36Å; N802-S826 WeakPolarHBondContact CA-O 3.44Å; N802-S826 WeakPolarHBondContact CA-OG 3.48Å; N802-S826 WeakPolarHBondContact CB-OG 3.15Å; N802-S826 PolarHBondContact ND2-O 3.04Å; N802-S826 PolarHBondContact ND2-OG 2.77Å; L803-S826 PolarHBondContact N-O 2.69Å |
| 827 | F | 96.1 | Very high | 86 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.9 | -171.8 | -154.7 | -91.4 | 0 | 0 | 0 | 111.2 | L803 V805 C807 Q813 L816 H817 C820 I886 I887 | L803-F827 HydrophobicContact CD2-CD2 4.33Å; L803-F827 HydrophobicContact CD2-CE2 3.91Å; V805-F827 HydrophobicContact CG2-CE1 3.64Å; V805-F827 HydrophobicContact CG2-CE2 4.17Å; V805-F827 HydrophobicContact CG2-CZ 3.38Å; C807-F827 HydrophobicContact CB-CE1 4.24Å; Q813-F827 HydrophobicContact CB-CE1 4.23Å; Q813-F827 HydrophobicContact CB-CZ 3.81Å; Q813-F827 HydrophobicContact CG-CZ 4.4Å; L816-F827 HydrophobicContact CB-CE2 4.41Å; L816-F827 HydrophobicContact CD2-CE2 4.38Å; L816-F827 HydrophobicContact CD2-CZ 4.37Å; L816-F827 HydrophobicContact CG-CE2 4.03Å; L816-F827 HydrophobicContact CG-CZ 4.39Å; H817-F827 HydrophobicContact CB-CD2 4.23Å; H817-F827 HydrophobicContact CB-CE1 4.38Å; H817-F827 HydrophobicContact CB-CE2 4Å; H817-F827 HydrophobicContact CB-CG 4.49Å; H817-F827 HydrophobicContact CB-CZ 4.08Å; H817-F827 AromaticContact CD2-CG 3.8Å; C820-F827 HydrophobicContact CB-CD2 3.88Å; F827-I886 HydrophobicContact CB-CG1 4.4Å; F827-I886 HydrophobicContact CD1-CD1 4.14Å; F827-I886 HydrophobicContact CD1-CG1 4.03Å; F827-I886 HydrophobicContact CD1-CG2 3.91Å; F827-I887 PolarHBondContact O-N 3.19Å |
| 828 | T | 97.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.7 | 179.4 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | N802 L803 Q804 V805 I887 I889 | N802-T828 VanDerWaalsContact CG-OG1 3.32Å; N802-T828 PolarHBondContact ND2-OG1 3.33Å; N802-T828 PolarHBondContact OD1-OG1 2.87Å; L803-T828 PolarHBondContact O-N 2.92Å; Q804-T828 WeakPolarHBondContact CA-O 3.22Å; Q804-T828 HydrophobicContact CB-CG2 4.39Å; Q804-T828 HydrophobicContact CG-CG2 4.05Å; V805-T828 PolarHBondContact N-O 3.33Å; T828-I887 CarbonylContact C-O 2.94Å; T828-I887 WeakPolarHBondContact CA-O 3.47Å; T828-I887 HydrophobicContact CG2-CB 4.42Å; T828-I887 HydrophobicContact CG2-CG2 4.24Å; T828-I889 HydrophobicContact CG2-CD1 3.86Å; T828-I889 HydrophobicContact CG2-CG1 3.95Å; T828-I889 HydrophobicContact CG2-CG2 4.24Å |
| 829 | A | 95.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C807 P832 L881 I886 I887 I889 | C807-A829 HydrophobicContact CB-CB 3.72Å; A829-P832 HydrophobicContact CB-CB 4.42Å; A829-L881 HydrophobicContact CB-CD1 3.86Å; A829-I886 HydrophobicContact CB-CG2 3.59Å; A829-I887 PolarHBondContact N-O 3.07Å; A829-I889 VanDerWaalsContact O-CG1 3.24Å; A829-I889 WeakPolarHBondContact O-CG1 3.42Å; A829-I889 PolarHBondContact O-N 3.45Å |
| 830 | Y | 90.9 | Very high | 80.5 | Confident | 39 Ų | 39 | 44.5 Ų | 44.5 | 15% | 0.153 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 154.1 | 161.3 | 77.2 | -110.3 | 0 | 0 | 0 | 111.6 | N783 Q804 V805 E806 C807 P832 | N783-Y830 VanDerWaalsContact OD1-CE1 3.26Å; N783-Y830 WeakPolarHBondContact OD1-CE1 3.36Å; N783-Y830 PolarHBondContact OD1-OH 3.5Å; Q804-Y830 HydrophobicContact CG-CD1 3.99Å; V805-Y830 WeakPolarHBondContact O-CD1 3.34Å; V805-Y830 PolarHBondContact O-N 3.18Å; E806-Y830 HydrophobicContact CB-CD2 4.32Å; E806-Y830 HydrophobicContact CB-CE1 4.41Å; E806-Y830 HydrophobicContact CB-CE2 3.65Å; E806-Y830 HydrophobicContact CG-CE2 4.32Å; E806-Y830 VanDerWaalsContact N-CZ 3.31Å; C807-Y830 PolarHBondContact N-O 2.95Å; Y830-P832 VanDerWaalsContact C-CD 3.45Å |
| 831 | S | 88.4 | Confident | 78.5 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 50.9 | 44.6 | -168.7 | -61.9 | 0 | 0 | 0 | 0 | 114 | I833 G834 S835 | S831-I833 PolarHBondContact O-N 3.36Å; S831-I833 VanDerWaalsContact O-N 3.15Å; S831-G834 WeakPolarHBondContact CB-O 3.29Å; S831-G834 PolarHBondContact O-N 2.93Å; S831-S835 WeakPolarHBondContact CB-OG 3.48Å; S831-S835 PolarHBondContact OG-OG 2.99Å |
| 832 | P | 92.5 | Very high | 76.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.5 | -174.1 | 27.3 | -36.3 | 0 | 0 | 0 | 113.4 | C807 H808 A829 Y830 M878 L881 V888 | C807-P832 WeakPolarHBondContact O-CA 3.42Å; H808-P832 WeakPolarHBondContact CB-O 3.35Å; A829-P832 HydrophobicContact CB-CB 4.42Å; Y830-P832 VanDerWaalsContact C-CD 3.45Å; P832-M878 HydrophobicContact CB-CG 4.18Å; P832-M878 HydrophobicContact CG-CG 4.23Å; P832-M878 HydrophobicContact CG-SD 4.43Å; P832-L881 HydrophobicContact CB-CD1 3.47Å; P832-L881 VanDerWaalsContact CB-CD1 3.47Å; P832-V888 HydrophobicContact CB-CB 4.24Å; P832-V888 HydrophobicContact CB-CG1 4.07Å; P832-V888 HydrophobicContact CG-CB 4.19Å |
| 833 | I | 90.3 | Very high | 74.3 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 21.9 | 177.2 | 65 | 172.3 | 0 | 0 | 0 | 112.1 | S831 L857 P874 L877 M878 | S831-I833 PolarHBondContact O-N 3.36Å; S831-I833 VanDerWaalsContact O-N 3.15Å; I833-L857 HydrophobicContact CB-CD2 4.31Å; I833-L857 VanDerWaalsContact O-CD1 3.24Å; I833-L857 WeakPolarHBondContact O-CD1 3.15Å; I833-L857 WeakPolarHBondContact O-CG 3.49Å; I833-P874 HydrophobicContact CD1-CB 4.41Å; I833-P874 HydrophobicContact CG2-CB 4.02Å; I833-L877 HydrophobicContact CB-CD1 4.41Å; I833-L877 HydrophobicContact CG2-CB 4.3Å; I833-M878 HydrophobicContact CG2-CE 4.14Å; I833-M878 HydrophobicContact CG2-CG 3.59Å; I833-M878 HydrophobicContact CG2-SD 3.95Å |
| 834 | G | 81.1 | Confident | 72 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | trans | 75.9 | -157.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.7 | S831 E855 I926 | S831-G834 WeakPolarHBondContact CB-O 3.29Å; S831-G834 PolarHBondContact O-N 2.93Å; G834-E855 WeakPolarHBondContact CA-OE2 3.47Å; G834-I926 VanDerWaalsContact CA-CD1 3.41Å | ||
| 835 | S | 73 | Confident | 69.5 | Low | 16 Ų | 16 | 41.5 Ų | 41.5 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | trans | -157.3 | 61.1 | -177.1 | -72.4 | 0 | 0 | 0 | 0 | 113.4 | S831 G837 R838 E855 | S831-S835 WeakPolarHBondContact CB-OG 3.48Å; S831-S835 PolarHBondContact OG-OG 2.99Å; S835-G837 PolarHBondContact O-N 3.1Å; S835-R838 WeakPolarHBondContact O-CB 3.38Å; S835-R838 PolarHBondContact O-N 3.29Å; S835-E855 PolarHBondContact N-OE2 3.49Å | ||
| 836 | P | 59.3 | Low | 66.9 | Low | 61 Ų | 61 | 46 Ų | 46 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -55.9 | -25.9 | -174.7 | 20.7 | -34.1 | 0 | 0 | 0 | 114.9 | R838 R839 E855 L857 | P836-R838 PolarHBondContact O-N 3.45Å; P836-R839 PolarHBondContact O-N 3.45Å; P836-E855 VanDerWaalsContact CA-OE1 3.27Å; P836-E855 WeakPolarHBondContact CA-OE1 3.38Å; P836-E855 HydrophobicContact CB-CG 4.14Å; P836-L857 HydrophobicContact CG-CD1 3.83Å |
| 837 | G | 57.2 | Low | 64.2 | Low | 51 Ų | 51 | 48.2 Ų | 48.2 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -63.5 | -22.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S835 R839 N840 | S835-G837 PolarHBondContact O-N 3.1Å; G837-R839 PolarHBondContact O-N 3.22Å; G837-N840 PolarHBondContact O-N 2.89Å |
| 838 | R | 54.4 | Low | 61.7 | Low | 38 Ų | 38 | 50.7 Ų | 50.7 | 14% | 0.143 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -67.1 | -16.9 | 176.1 | -75.3 | -179.1 | 172.5 | -87.6 | -5 | 113 | W628 D736 S835 P836 N840 H841 | W628-R838 HydrophobicContact CH2-CG 4.01Å; W628-R838 HydrophobicContact CZ3-CG 4.49Å; D736-R838 IonicContact OD1-NH2 2.61Å; D736-R838 IonicContact OD2-CZ 3.07Å; D736-R838 IonicContact OD2-NH1 3.91Å; D736-R838 PolarHBondContact OD2-NH1 3.39Å; D736-R838 IonicContact OD2-NH2 2.84Å; D736-R838 PolarHBondContact OD2-NH2 3.43Å; S835-R838 WeakPolarHBondContact O-CB 3.38Å; S835-R838 PolarHBondContact O-N 3.29Å; P836-R838 PolarHBondContact O-N 3.45Å; R838-N840 PolarHBondContact O-N 3.24Å; R838-H841 WeakPolarHBondContact O-CB 3.22Å; R838-H841 PolarHBondContact O-N 3.06Å |
| 839 | R | 50.4 | Low | 59.4 | Low | 89 Ų | 89 | 53.9 Ų | 53.9 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -61.5 | -25 | 173.6 | -71.5 | -177.8 | 174.8 | 154.8 | -0.1 | 113.4 | P836 G837 Q853 | P836-R839 PolarHBondContact O-N 3.45Å; G837-R839 PolarHBondContact O-N 3.22Å; R839-Q853 PolarHBondContact NH2-O 3.05Å |
| 840 | N | 49.4 | Very low | 57.2 | Low | 153 Ų | 153 | 55.2 Ų | 55.2 | 82% | 0.818 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -95.8 | 11.7 | 175.2 | -66.5 | 0.3 | 0 | 0 | 0 | 112.9 | G837 R838 | G837-N840 PolarHBondContact O-N 2.89Å; R838-N840 PolarHBondContact O-N 3.24Å |
| 841 | H | 45.6 | Very low | 55.5 | Low | 24 Ų | 24 | 57 Ų | 57 | 11% | 0.111 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -78.3 | 141.1 | -174.8 | -163.3 | -105 | 0 | 0 | 0 | 111.9 | D736 R838 L843 A844 | D736-H841 WeakPolarHBondContact CB-CE1 3.18Å; D736-H841 IonicContact OD2-CE1 2.83Å; R838-H841 WeakPolarHBondContact O-CB 3.22Å; R838-H841 PolarHBondContact O-N 3.06Å; H841-L843 PolarHBondContact O-N 3.28Å; H841-A844 PolarHBondContact O-N 2.93Å |
| 842 | P | 42.3 | Very low | 54.1 | Low | 93 Ų | 93 | 63.3 Ų | 63.3 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -56.6 | -13.5 | -179.8 | -29.3 | 37.1 | 0 | 0 | 0 | 116.2 | A844 V845 | P842-A844 PolarHBondContact O-N 2.98Å; P842-A844 VanDerWaalsContact O-N 3.14Å; P842-V845 VanDerWaalsContact O-CB 3.25Å; P842-V845 WeakPolarHBondContact O-CB 3.1Å; P842-V845 VanDerWaalsContact O-CG2 3.26Å; P842-V845 WeakPolarHBondContact O-CG2 3.34Å; P842-V845 PolarHBondContact O-N 3.23Å |
| 843 | L | 38.9 | Very low | 52.7 | Low | 51 Ų | 51 | 65.3 Ų | 65.3 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -61.4 | -14.2 | 171.3 | -78.8 | 170.6 | 0 | 0 | 0 | 114.1 | H841 V845 I846 | H841-L843 PolarHBondContact O-N 3.28Å; L843-V845 PolarHBondContact O-N 3.22Å; L843-I846 HydrophobicContact CD2-CD1 3.96Å; L843-I846 HydrophobicContact CD2-CG1 4.29Å; L843-I846 WeakPolarHBondContact O-CG1 3.38Å; L843-I846 PolarHBondContact O-N 2.86Å |
| 844 | A | 38.2 | Very low | 51.8 | Low | 53 Ų | 53 | 71.6 Ų | 71.6 | 44% | 0.438 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -59.7 | -22.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H841 P842 I846 G847 | H841-A844 PolarHBondContact O-N 2.93Å; P842-A844 PolarHBondContact O-N 2.98Å; P842-A844 VanDerWaalsContact O-N 3.14Å; A844-I846 VanDerWaalsContact C-N 3.28Å; A844-I846 PolarHBondContact O-N 2.68Å; A844-G847 PolarHBondContact O-N 3.32Å; A844-G847 VanDerWaalsContact O-N 3.15Å |
| 845 | V | 35 | Very low | 51.8 | Low | 130 Ų | 130 | 71.6 Ų | 71.6 | 79% | 0.788 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -68.3 | -23.4 | 179.8 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | P842 L843 G847 | P842-V845 VanDerWaalsContact O-CB 3.25Å; P842-V845 WeakPolarHBondContact O-CB 3.1Å; P842-V845 VanDerWaalsContact O-CG2 3.26Å; P842-V845 WeakPolarHBondContact O-CG2 3.34Å; P842-V845 PolarHBondContact O-N 3.23Å; L843-V845 PolarHBondContact O-N 3.22Å; V845-G847 PolarHBondContact O-N 3.03Å |
| 846 | I | 36.3 | Very low | 52.4 | Low | 99 Ų | 99 | 70.8 Ų | 70.8 | 51% | 0.508 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -86.2 | 19.6 | 172.7 | 60.3 | 162.7 | 0 | 0 | 0 | 113.4 | L843 A844 V848 L930 | L843-I846 HydrophobicContact CD2-CD1 3.96Å; L843-I846 HydrophobicContact CD2-CG1 4.29Å; L843-I846 WeakPolarHBondContact O-CG1 3.38Å; L843-I846 PolarHBondContact O-N 2.86Å; A844-I846 VanDerWaalsContact C-N 3.28Å; A844-I846 PolarHBondContact O-N 2.68Å; I846-V848 HydrophobicContact CD1-CG2 4.48Å; I846-V848 HydrophobicContact CG1-CG2 4.44Å; I846-V848 PolarHBondContact O-N 3.31Å; I846-L930 HydrophobicContact CD1-CD2 3.9Å |
| 847 | G | 37 | Very low | 53.8 | Low | 59 Ų | 59 | 69.9 Ų | 69.9 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -1.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A844 V845 D849 | A844-G847 PolarHBondContact O-N 3.32Å; A844-G847 VanDerWaalsContact O-N 3.15Å; V845-G847 PolarHBondContact O-N 3.03Å; G847-D849 PolarHBondContact O-N 3.18Å; G847-D849 VanDerWaalsContact O-N 3.11Å |
| 848 | V | 42.6 | Very low | 55.2 | Low | 56 Ų | 56 | 71.5 Ų | 71.5 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | trans | -74.5 | 102.1 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | I846 V850 L930 | I846-V848 HydrophobicContact CD1-CG2 4.48Å; I846-V848 HydrophobicContact CG1-CG2 4.44Å; I846-V848 PolarHBondContact O-N 3.31Å; V848-V850 VanDerWaalsContact C-N 3.3Å; V848-V850 HydrophobicContact CG1-CG1 4.29Å; V848-V850 PolarHBondContact O-N 3.11Å; V848-L930 HydrophobicContact CG2-CD2 4.13Å | ||
| 849 | D | 49.7 | Very low | 57 | Low | 67 Ų | 67 | 70 Ų | 70 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | trans | -71.9 | 80.6 | -179.4 | -177.1 | 7.9 | 0 | 0 | 0 | 112.6 | G847 S851 K852 | G847-D849 PolarHBondContact O-N 3.18Å; G847-D849 VanDerWaalsContact O-N 3.11Å; D849-S851 PolarHBondContact O-N 3.12Å; D849-S851 WeakPolarHBondContact OD1-CB 3.48Å; D849-S851 PolarHBondContact OD1-N 2.83Å; D849-S851 PolarHBondContact OD1-OG 3.14Å; D849-K852 HydrophobicContact CB-CD 4.42Å; D849-K852 PolarHBondContact O-N 3.46Å; D849-K852 VanDerWaalsContact OD2-CD 3.26Å; D849-K852 WeakPolarHBondContact OD2-CD 3.24Å; D849-K852 WeakPolarHBondContact OD2-CE 3.28Å; D849-K852 WeakPolarHBondContact OD2-CG 3.34Å; D849-K852 IonicContact OD2-NZ 3.49Å; D849-K852 PolarHBondContact OD2-NZ 2.72Å | ||
| 850 | V | 49.3 | Very low | 58.8 | Low | 28 Ų | 28 | 70.1 Ų | 70.1 | 17% | 0.17 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -64.6 | -10.7 | 174.2 | -67.8 | 0 | 0 | 0 | 0 | 113.8 | V848 K852 Q853 | V848-V850 VanDerWaalsContact C-N 3.3Å; V848-V850 HydrophobicContact CG1-CG1 4.29Å; V848-V850 PolarHBondContact O-N 3.11Å; V850-K852 PolarHBondContact O-N 2.71Å; V850-Q853 PolarHBondContact O-N 3.04Å |
| 851 | S | 54.4 | Low | 61 | Low | 78 Ų | 78 | 64.9 Ų | 64.9 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -66.7 | -29 | 175.9 | 81.2 | 0 | 0 | 0 | 0 | 112.1 | D849 Q853 | D849-S851 PolarHBondContact O-N 3.12Å; D849-S851 WeakPolarHBondContact OD1-CB 3.48Å; D849-S851 PolarHBondContact OD1-N 2.83Å; D849-S851 PolarHBondContact OD1-OG 3.14Å; S851-Q853 VanDerWaalsContact C-N 3.31Å; S851-Q853 PolarHBondContact O-N 3.19Å |
| 852 | K | 59.2 | Low | 63.2 | Low | 154 Ų | 154 | 63.7 Ų | 63.7 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -74.8 | -14.9 | 176.7 | -69.4 | 170.6 | 178.5 | 127.2 | 0 | 113.7 | D849 V850 R854 | D849-K852 HydrophobicContact CB-CD 4.42Å; D849-K852 PolarHBondContact O-N 3.46Å; D849-K852 VanDerWaalsContact OD2-CD 3.26Å; D849-K852 WeakPolarHBondContact OD2-CD 3.24Å; D849-K852 WeakPolarHBondContact OD2-CE 3.28Å; D849-K852 WeakPolarHBondContact OD2-CG 3.34Å; D849-K852 IonicContact OD2-NZ 3.49Å; D849-K852 PolarHBondContact OD2-NZ 2.72Å; V850-K852 PolarHBondContact O-N 2.71Å; K852-R854 PolarHBondContact O-N 2.66Å |
| 853 | Q | 62.2 | Low | 65.8 | Low | 42 Ų | 42 | 63 Ų | 63 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -73.8 | 124 | 178.9 | -70.5 | -160.3 | -39 | 0 | 0 | 111.7 | R839 V850 S851 R925 | R839-Q853 PolarHBondContact NH2-O 3.05Å; V850-Q853 PolarHBondContact O-N 3.04Å; S851-Q853 VanDerWaalsContact C-N 3.31Å; S851-Q853 PolarHBondContact O-N 3.19Å; Q853-R925 PolarHBondContact NE2-O 3.49Å |
| 854 | R | 71.7 | Confident | 68.4 | Low | 156 Ų | 156 | 67 Ų | 67 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 131.9 | 170.4 | -62.9 | -176.9 | 179.4 | -173.3 | 0.5 | 110.9 | Y810 K852 Q924 | Y810-R854 WeakPolarHBondContact CD2-O 3.21Å; Y810-R854 HydrophobicContact CE2-CB 3.71Å; Y810-R854 WeakPolarHBondContact CE2-O 3.3Å; K852-R854 PolarHBondContact O-N 2.66Å; R854-Q924 PolarHBondContact O-NE2 2.83Å |
| 855 | E | 81.1 | Confident | 71.1 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.023 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 142.5 | 171 | -74.8 | -71.4 | 167 | 0 | 0 | 110.2 | G834 S835 P836 L857 D858 | G834-E855 WeakPolarHBondContact CA-OE2 3.47Å; S835-E855 PolarHBondContact N-OE2 3.49Å; P836-E855 VanDerWaalsContact CA-OE1 3.27Å; P836-E855 WeakPolarHBondContact CA-OE1 3.38Å; P836-E855 HydrophobicContact CB-CG 4.14Å; E855-L857 PolarHBondContact O-N 2.91Å; E855-D858 WeakPolarHBondContact O-CA 3.44Å; E855-D858 WeakPolarHBondContact O-CB 3.26Å; E855-D858 PolarHBondContact O-N 3.11Å |
| 856 | P | 86.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -53.7 | -31.5 | 170.8 | -29.5 | 36.2 | 0 | 0 | 0 | 113.8 | H808 L809 Y810 D858 D859 L877 I926 | H808-P856 HydrophobicContact CB-CG 4.16Å; L809-P856 HydrophobicContact CB-CB 4.28Å; Y810-P856 HydrophobicContact CD2-CG 3.97Å; Y810-P856 HydrophobicContact CE2-CG 4.44Å; Y810-P856 HydrophobicContact CG-CG 4.3Å; P856-D858 PolarHBondContact O-N 2.84Å; P856-D859 VanDerWaalsContact O-CB 3.31Å; P856-D859 WeakPolarHBondContact O-CB 3.42Å; P856-D859 PolarHBondContact O-N 3.35Å; P856-L877 HydrophobicContact CB-CD1 3.84Å; P856-L877 HydrophobicContact CB-CD2 4.14Å; P856-I926 HydrophobicContact CG-CD1 3.95Å |
| 857 | L | 88.6 | Confident | 76.5 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -62.3 | -23.7 | 173.4 | -72.9 | 163 | 0 | 0 | 0 | 113.5 | I833 P836 E855 K863 V873 P874 L877 | I833-L857 HydrophobicContact CB-CD2 4.31Å; I833-L857 VanDerWaalsContact O-CD1 3.24Å; I833-L857 WeakPolarHBondContact O-CD1 3.15Å; I833-L857 WeakPolarHBondContact O-CG 3.49Å; P836-L857 HydrophobicContact CG-CD1 3.83Å; E855-L857 PolarHBondContact O-N 2.91Å; L857-K863 VanDerWaalsContact O-CE 3.29Å; L857-K863 WeakPolarHBondContact O-CE 3.07Å; L857-V873 HydrophobicContact CD2-CB 4.47Å; L857-V873 HydrophobicContact CD2-CG1 4.45Å; L857-P874 HydrophobicContact CD2-CG 3.67Å; L857-L877 HydrophobicContact CD2-CD1 4.3Å |
| 858 | D | 87.4 | Confident | 79.1 | Confident | 84 Ų | 84 | 63.5 Ų | 63.5 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -89.1 | -7.1 | 179.7 | -91.4 | -45.6 | 0 | 0 | 0 | 114.1 | E855 P856 K863 | E855-D858 WeakPolarHBondContact O-CA 3.44Å; E855-D858 WeakPolarHBondContact O-CB 3.26Å; E855-D858 PolarHBondContact O-N 3.11Å; P856-D858 PolarHBondContact O-N 2.84Å; D858-K863 VanDerWaalsContact CA-NZ 3.26Å; D858-K863 WeakPolarHBondContact O-CE 3.26Å; D858-K863 PolarHBondContact O-NZ 2.86Å; D858-K863 IonicContact OD1-NZ 2.67Å; D858-K863 PolarHBondContact OD1-NZ 2.85Å |
| 859 | D | 91.5 | Very high | 81.4 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | trans | -63.1 | 130.1 | -171.6 | -168.4 | -87.4 | 0 | 0 | 0 | 113.4 | L809 Y810 P856 L861 A862 K863 | L809-D859 HydrophobicContact CD2-CB 3.98Å; Y810-D859 HydrophobicContact CE1-CB 4.32Å; Y810-D859 VanDerWaalsContact CE1-OD2 3.23Å; Y810-D859 WeakPolarHBondContact CE1-OD2 3.43Å; Y810-D859 VanDerWaalsContact OH-CB 3.31Å; Y810-D859 WeakPolarHBondContact OH-CB 3.47Å; Y810-D859 PolarHBondContact OH-OD2 2.96Å; P856-D859 VanDerWaalsContact O-CB 3.31Å; P856-D859 WeakPolarHBondContact O-CB 3.42Å; P856-D859 PolarHBondContact O-N 3.35Å; D859-L861 PolarHBondContact O-N 3.11Å; D859-L861 WeakPolarHBondContact OD1-CA 3.49Å; D859-L861 WeakPolarHBondContact OD1-CB 3.16Å; D859-L861 PolarHBondContact OD1-N 2.95Å; D859-A862 HydrophobicContact CB-CB 3.98Å; D859-A862 PolarHBondContact O-N 3.22Å; D859-A862 PolarHBondContact OD1-N 3.15Å; D859-A862 VanDerWaalsContact OD1-N 3.15Å; D859-K863 WeakPolarHBondContact O-CB 3.08Å; D859-K863 VanDerWaalsContact O-CG 3.29Å; D859-K863 WeakPolarHBondContact O-CG 3.45Å; D859-K863 PolarHBondContact O-N 3.36Å | ||
| 860 | P | 89 | Confident | 83.2 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 60% | 0.597 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.6 | -32.5 | -176.5 | 27.7 | -35.3 | 0 | 0 | 0 | 113.5 | Q864 | P860-Q864 WeakPolarHBondContact O-CB 3.44Å; P860-Q864 PolarHBondContact O-N 2.89Å |
| 861 | L | 94.2 | Very high | 85.3 | Confident | 42 Ų | 42 | 64 Ų | 64 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.8 | -44.1 | 176.9 | 175.4 | 66.1 | 0 | 0 | 0 | 110 | D859 K863 Q864 I865 A916 L917 V920 | D859-L861 PolarHBondContact O-N 3.11Å; D859-L861 WeakPolarHBondContact OD1-CA 3.49Å; D859-L861 WeakPolarHBondContact OD1-CB 3.16Å; D859-L861 PolarHBondContact OD1-N 2.95Å; L861-K863 VanDerWaalsContact C-N 3.3Å; L861-K863 PolarHBondContact O-N 3.14Å; L861-Q864 PolarHBondContact O-N 2.73Å; L861-Q864 VanDerWaalsContact O-N 3.16Å; L861-I865 HydrophobicContact CD1-CD1 3.87Å; L861-I865 HydrophobicContact CD1-CG1 4.17Å; L861-I865 HydrophobicContact CG-CD1 3.86Å; L861-I865 HydrophobicContact CG-CG1 4.49Å; L861-I865 WeakPolarHBondContact O-CG1 3.45Å; L861-I865 PolarHBondContact O-N 3Å; L861-A916 HydrophobicContact CD1-CB 4.36Å; L861-A916 HydrophobicContact CD2-CB 3.78Å; L861-A916 WeakPolarHBondContact CD2-O 3.4Å; L861-L917 HydrophobicContact CD2-CD2 4Å; L861-L917 HydrophobicContact CD2-CG 4.35Å; L861-L917 HydrophobicContact CG-CD2 4.2Å; L861-V920 HydrophobicContact CD2-CG2 3.83Å |
| 862 | A | 93.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D859 A866 V873 L877 | D859-A862 HydrophobicContact CB-CB 3.98Å; D859-A862 PolarHBondContact O-N 3.22Å; D859-A862 PolarHBondContact OD1-N 3.15Å; D859-A862 VanDerWaalsContact OD1-N 3.15Å; A862-A866 WeakPolarHBondContact O-CB 3.17Å; A862-A866 PolarHBondContact O-N 2.93Å; A862-V873 HydrophobicContact CB-CG1 3.76Å; A862-L877 HydrophobicContact CB-CD2 4.06Å; A862-L877 HydrophobicContact CB-CG 4.45Å |
| 863 | K | 95.1 | Very high | 88.8 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 34% | 0.339 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 171.5 | -75.5 | 167.5 | 177.8 | 168.8 | 0 | 113 | L857 D858 D859 L861 T867 V873 | L857-K863 VanDerWaalsContact O-CE 3.29Å; L857-K863 WeakPolarHBondContact O-CE 3.07Å; D858-K863 VanDerWaalsContact CA-NZ 3.26Å; D858-K863 WeakPolarHBondContact O-CE 3.26Å; D858-K863 PolarHBondContact O-NZ 2.86Å; D858-K863 IonicContact OD1-NZ 2.67Å; D858-K863 PolarHBondContact OD1-NZ 2.85Å; D859-K863 WeakPolarHBondContact O-CB 3.08Å; D859-K863 VanDerWaalsContact O-CG 3.29Å; D859-K863 WeakPolarHBondContact O-CG 3.45Å; D859-K863 PolarHBondContact O-N 3.36Å; L861-K863 VanDerWaalsContact C-N 3.3Å; L861-K863 PolarHBondContact O-N 3.14Å; K863-T867 WeakPolarHBondContact O-CB 3.3Å; K863-T867 PolarHBondContact O-N 3.31Å; K863-T867 PolarHBondContact O-OG1 3.5Å; K863-V873 HydrophobicContact CB-CG2 4.4Å; K863-V873 HydrophobicContact CG-CG2 3.66Å |
| 864 | Q | 94 | Very high | 90.4 | Very high | 135 Ų | 135 | 55 Ų | 55 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.1 | -47.8 | 176.6 | -176 | -179.1 | 1.8 | 0 | 0 | 111.9 | P860 L861 T867 K868 | P860-Q864 WeakPolarHBondContact O-CB 3.44Å; P860-Q864 PolarHBondContact O-N 2.89Å; L861-Q864 PolarHBondContact O-N 2.73Å; L861-Q864 VanDerWaalsContact O-N 3.16Å; Q864-T867 PolarHBondContact O-N 2.89Å; Q864-K868 PolarHBondContact O-N 3.32Å |
| 865 | I | 95.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 179 | -64.6 | 171.5 | 0 | 0 | 0 | 110.6 | L861 T867 K868 H869 V876 L909 E913 L917 | L861-I865 HydrophobicContact CD1-CD1 3.87Å; L861-I865 HydrophobicContact CD1-CG1 4.17Å; L861-I865 HydrophobicContact CG-CD1 3.86Å; L861-I865 HydrophobicContact CG-CG1 4.49Å; L861-I865 WeakPolarHBondContact O-CG1 3.45Å; L861-I865 PolarHBondContact O-N 3Å; I865-T867 PolarHBondContact O-N 2.93Å; I865-K868 PolarHBondContact O-N 3.29Å; I865-H869 PolarHBondContact O-CD2 3.31Å; I865-H869 PolarHBondContact O-N 3.17Å; I865-H869 VanDerWaalsContact O-N 3.07Å; I865-V876 HydrophobicContact CB-CG1 4.06Å; I865-V876 HydrophobicContact CG2-CG1 3.66Å; I865-V876 HydrophobicContact CG2-CG2 3.96Å; I865-L909 HydrophobicContact CG2-CD2 3.57Å; I865-E913 HydrophobicContact CD1-CB 4.04Å; I865-E913 HydrophobicContact CD1-CG 4.04Å; I865-E913 HydrophobicContact CG1-CG 4.12Å; I865-E913 HydrophobicContact CG2-CG 4.35Å; I865-L917 HydrophobicContact CD1-CD1 3.95Å; I865-L917 HydrophobicContact CD1-CD2 4.07Å; I865-L917 HydrophobicContact CD1-CG 3.84Å |
| 866 | A | 93.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A862 K868 H869 G870 K871 V873 V876 | A862-A866 WeakPolarHBondContact O-CB 3.17Å; A862-A866 PolarHBondContact O-N 2.93Å; A866-K868 PolarHBondContact O-N 2.71Å; A866-H869 PolarHBondContact O-N 2.73Å; A866-G870 PolarHBondContact O-N 3.04Å; A866-G870 VanDerWaalsContact O-N 3.09Å; A866-K871 CarbonylContact C-O 3.58Å; A866-K871 WeakPolarHBondContact CB-O 2.8Å; A866-K871 PolarHBondContact O-N 3.08Å; A866-K871 VanDerWaalsContact O-O 3.09Å; A866-V873 HydrophobicContact CB-CG2 4.02Å; A866-V876 HydrophobicContact CB-CG2 3.84Å |
| 867 | T | 90.8 | Very high | 92.8 | Very high | 117 Ų | 117 | 47.9 Ų | 47.9 | 72% | 0.718 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 175.8 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | K863 Q864 I865 H869 G870 | K863-T867 WeakPolarHBondContact O-CB 3.3Å; K863-T867 PolarHBondContact O-N 3.31Å; K863-T867 PolarHBondContact O-OG1 3.5Å; Q864-T867 PolarHBondContact O-N 2.89Å; I865-T867 PolarHBondContact O-N 2.93Å; T867-H869 PolarHBondContact O-N 2.99Å; T867-G870 PolarHBondContact O-N 2.9Å |
| 868 | K | 91.4 | Very high | 93.1 | Very high | 139 Ų | 139 | 45.9 Ų | 45.9 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 178.9 | -177.5 | -173.1 | 170.9 | -170.4 | 0 | 112.9 | Q864 I865 A866 E913 | Q864-K868 PolarHBondContact O-N 3.32Å; I865-K868 PolarHBondContact O-N 3.29Å; A866-K868 PolarHBondContact O-N 2.71Å; K868-E913 WeakPolarHBondContact CD-OE1 3.49Å; K868-E913 WeakPolarHBondContact CE-OE1 3.43Å; K868-E913 IonicContact NZ-OE1 3.22Å; K868-E913 PolarHBondContact NZ-OE1 2.83Å |
| 869 | H | 89.9 | Confident | 93.5 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -87.8 | -3.6 | -178.8 | -75.9 | -81 | 0 | 0 | 0 | 114.2 | I865 A866 T867 K871 F907 E908 E913 | I865-H869 PolarHBondContact O-CD2 3.31Å; I865-H869 PolarHBondContact O-N 3.17Å; I865-H869 VanDerWaalsContact O-N 3.07Å; A866-H869 PolarHBondContact O-N 2.73Å; T867-H869 PolarHBondContact O-N 2.99Å; H869-K871 HydrophobicContact CB-CB 4.46Å; H869-K871 HydrophobicContact CB-CG 3.84Å; H869-K871 PolarHBondContact O-N 3.48Å; H869-F907 HydrophobicContact CB-CD2 4.11Å; H869-F907 AromaticContact CG-CD2 3.93Å; H869-F907 AromaticContact ND1-CD2 3.87Å; H869-E908 PolarHBondContact CE1-O 3.19Å; H869-E913 IonicContact CD2-OE2 2.67Å; H869-E913 IonicContact CE1-OE2 2.79Å; H869-E913 IonicContact NE2-OE1 2.72Å; H869-E913 IonicContact NE2-OE2 3.91Å; H869-E913 PolarHBondContact NE2-OE2 2.89Å |
| 870 | G | 89.1 | Confident | 93.8 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 73% | 0.732 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 26.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A866 T867 | A866-G870 PolarHBondContact O-N 3.04Å; A866-G870 VanDerWaalsContact O-N 3.09Å; T867-G870 PolarHBondContact O-N 2.9Å |
| 871 | K | 93.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 18% | 0.183 | 21% | 0.206 | C | C | . | . | trans | -112.8 | 171 | -177.4 | -53.2 | -67 | 170 | 157.6 | 0 | 110.6 | A866 H869 Q875 D906 F907 | A866-K871 CarbonylContact C-O 3.58Å; A866-K871 WeakPolarHBondContact CB-O 2.8Å; A866-K871 PolarHBondContact O-N 3.08Å; A866-K871 VanDerWaalsContact O-O 3.09Å; H869-K871 HydrophobicContact CB-CB 4.46Å; H869-K871 HydrophobicContact CB-CG 3.84Å; H869-K871 PolarHBondContact O-N 3.48Å; K871-Q875 HydrophobicContact CB-CB 4.12Å; K871-D906 PolarHBondContact NZ-O 2.99Å; K871-D906 IonicContact NZ-OD1 3.28Å; K871-D906 PolarHBondContact NZ-OD1 3.29Å; K871-D906 IonicContact NZ-OD2 3.49Å; K871-D906 PolarHBondContact NZ-OD2 3.39Å; K871-F907 HydrophobicContact CB-CZ 4.4Å; K871-F907 HydrophobicContact CD-CD1 3.75Å; K871-F907 HydrophobicContact CD-CE1 4.02Å; K871-F907 HydrophobicContact CD-CG 4.17Å; K871-F907 HydrophobicContact CG-CD1 3.84Å; K871-F907 HydrophobicContact CG-CD2 4.07Å; K871-F907 HydrophobicContact CG-CE1 3.87Å; K871-F907 HydrophobicContact CG-CE2 4.11Å; K871-F907 HydrophobicContact CG-CG 3.94Å; K871-F907 HydrophobicContact CG-CZ 4.01Å | ||
| 872 | S | 92.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | trans | -82.8 | 158.4 | 171.8 | 74.1 | 0 | 0 | 0 | 0 | 112.4 | P874 Q875 V876 S900 | S872-P874 WeakPolarHBondContact OG-CD 3.25Å; S872-Q875 VanDerWaalsContact CB-OE1 3.29Å; S872-Q875 WeakPolarHBondContact O-CB 3.45Å; S872-Q875 PolarHBondContact O-N 3.41Å; S872-Q875 VanDerWaalsContact O-N 3.08Å; S872-Q875 WeakPolarHBondContact OG-CG 3.26Å; S872-Q875 PolarHBondContact OG-N 3.46Å; S872-Q875 PolarHBondContact OG-OE1 3.32Å; S872-V876 PolarHBondContact O-N 3.13Å; S872-S900 PolarHBondContact OG-OG 3.03Å | ||
| 873 | V | 94.4 | Very high | 94 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -43 | 173.6 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | L857 A862 K863 A866 Q875 V876 L877 | L857-V873 HydrophobicContact CD2-CB 4.47Å; L857-V873 HydrophobicContact CD2-CG1 4.45Å; A862-V873 HydrophobicContact CB-CG1 3.76Å; K863-V873 HydrophobicContact CB-CG2 4.4Å; K863-V873 HydrophobicContact CG-CG2 3.66Å; A866-V873 HydrophobicContact CB-CG2 4.02Å; V873-Q875 VanDerWaalsContact C-N 3.28Å; V873-Q875 PolarHBondContact O-N 3.32Å; V873-V876 PolarHBondContact O-N 2.8Å; V873-L877 HydrophobicContact CG1-CD1 3.91Å; V873-L877 HydrophobicContact CG1-CG 4.19Å; V873-L877 WeakPolarHBondContact O-CG 3.24Å; V873-L877 PolarHBondContact O-N 3.27Å |
| 874 | P | 95.4 | Very high | 93.8 | Very high | 27 Ų | 27 | 35.8 Ų | 35.8 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -47.7 | -46.7 | 168.3 | -28.4 | 31 | 0 | 0 | 0 | 114.1 | I833 L857 S872 L877 M878 N901 | I833-P874 HydrophobicContact CD1-CB 4.41Å; I833-P874 HydrophobicContact CG2-CB 4.02Å; L857-P874 HydrophobicContact CD2-CG 3.67Å; S872-P874 WeakPolarHBondContact OG-CD 3.25Å; P874-L877 PolarHBondContact O-N 2.96Å; P874-M878 HydrophobicContact CB-CE 4.08Å; P874-M878 WeakPolarHBondContact O-CB 3.45Å; P874-M878 VanDerWaalsContact O-CE 3.3Å; P874-M878 WeakPolarHBondContact O-CE 3.24Å; P874-M878 WeakPolarHBondContact O-CG 3.34Å; P874-M878 PolarHBondContact O-N 3.4Å; P874-N901 WeakPolarHBondContact CB-OD1 3.4Å |
| 875 | Q | 96.2 | Very high | 93.5 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | -177.4 | -71.5 | 164.3 | -80.7 | 0 | 0 | 111.8 | K871 S872 V873 M878 K879 S900 Q903 L904 F907 | K871-Q875 HydrophobicContact CB-CB 4.12Å; S872-Q875 VanDerWaalsContact CB-OE1 3.29Å; S872-Q875 WeakPolarHBondContact O-CB 3.45Å; S872-Q875 PolarHBondContact O-N 3.41Å; S872-Q875 VanDerWaalsContact O-N 3.08Å; S872-Q875 WeakPolarHBondContact OG-CG 3.26Å; S872-Q875 PolarHBondContact OG-N 3.46Å; S872-Q875 PolarHBondContact OG-OE1 3.32Å; V873-Q875 VanDerWaalsContact C-N 3.28Å; V873-Q875 PolarHBondContact O-N 3.32Å; Q875-M878 PolarHBondContact O-N 3.28Å; Q875-K879 WeakPolarHBondContact O-CB 3.12Å; Q875-K879 PolarHBondContact O-N 3.36Å; Q875-S900 WeakPolarHBondContact CG-O 3.48Å; Q875-S900 PolarHBondContact NE2-O 2.65Å; Q875-S900 PolarHBondContact OE1-OG 3.33Å; Q875-Q903 PolarHBondContact NE2-O 3.37Å; Q875-L904 HydrophobicContact CB-CD2 3.75Å; Q875-L904 HydrophobicContact CG-CD2 3.73Å; Q875-F907 HydrophobicContact CB-CE1 4.19Å; Q875-F907 HydrophobicContact CB-CZ 4.1Å |
| 876 | V | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 112 | I865 A866 S872 V873 M878 K879 W880 F907 L909 L917 | I865-V876 HydrophobicContact CB-CG1 4.06Å; I865-V876 HydrophobicContact CG2-CG1 3.66Å; I865-V876 HydrophobicContact CG2-CG2 3.96Å; A866-V876 HydrophobicContact CB-CG2 3.84Å; S872-V876 PolarHBondContact O-N 3.13Å; V873-V876 PolarHBondContact O-N 2.8Å; V876-M878 VanDerWaalsContact C-N 3.33Å; V876-M878 PolarHBondContact O-N 3.02Å; V876-K879 PolarHBondContact O-N 2.74Å; V876-W880 PolarHBondContact O-N 3.05Å; V876-F907 HydrophobicContact CG2-CE2 4.47Å; V876-L909 HydrophobicContact CG1-CD1 4.32Å; V876-L909 HydrophobicContact CG1-CD2 4.36Å; V876-L917 HydrophobicContact CG1-CD1 4.09Å |
| 877 | L | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | -179.5 | -68.8 | 171.5 | 0 | 0 | 0 | 112.1 | L809 I833 P856 L857 A862 V873 P874 | L809-L877 HydrophobicContact CB-CD2 3.83Å; L809-L877 HydrophobicContact CD2-CD2 3.89Å; L809-L877 HydrophobicContact CG-CD2 4.42Å; I833-L877 HydrophobicContact CB-CD1 4.41Å; I833-L877 HydrophobicContact CG2-CB 4.3Å; P856-L877 HydrophobicContact CB-CD1 3.84Å; P856-L877 HydrophobicContact CB-CD2 4.14Å; L857-L877 HydrophobicContact CD2-CD1 4.3Å; A862-L877 HydrophobicContact CB-CD2 4.06Å; A862-L877 HydrophobicContact CB-CG 4.45Å; V873-L877 HydrophobicContact CG1-CD1 3.91Å; V873-L877 HydrophobicContact CG1-CG 4.19Å; V873-L877 WeakPolarHBondContact O-CG 3.24Å; V873-L877 PolarHBondContact O-N 3.27Å; P874-L877 PolarHBondContact O-N 2.96Å |
| 878 | M | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74.6 | -37.6 | 177.1 | -69.4 | -174.2 | -70.5 | 0 | 0 | 112.5 | P832 I833 P874 Q875 V876 W880 L881 I882 V888 P890 N901 L904 | P832-M878 HydrophobicContact CB-CG 4.18Å; P832-M878 HydrophobicContact CG-CG 4.23Å; P832-M878 HydrophobicContact CG-SD 4.43Å; I833-M878 HydrophobicContact CG2-CE 4.14Å; I833-M878 HydrophobicContact CG2-CG 3.59Å; I833-M878 HydrophobicContact CG2-SD 3.95Å; P874-M878 HydrophobicContact CB-CE 4.08Å; P874-M878 WeakPolarHBondContact O-CB 3.45Å; P874-M878 VanDerWaalsContact O-CE 3.3Å; P874-M878 WeakPolarHBondContact O-CE 3.24Å; P874-M878 WeakPolarHBondContact O-CG 3.34Å; P874-M878 PolarHBondContact O-N 3.4Å; Q875-M878 PolarHBondContact O-N 3.28Å; V876-M878 VanDerWaalsContact C-N 3.33Å; V876-M878 PolarHBondContact O-N 3.02Å; M878-W880 VanDerWaalsContact C-N 3.33Å; M878-W880 PolarHBondContact O-N 2.97Å; M878-L881 PolarHBondContact O-N 3.02Å; M878-L881 VanDerWaalsContact O-N 3.13Å; M878-I882 WeakPolarHBondContact O-CG1 3.45Å; M878-I882 PolarHBondContact O-N 3.25Å; M878-V888 HydrophobicContact CB-CG1 4.4Å; M878-V888 HydrophobicContact CB-CG2 4.23Å; M878-V888 HydrophobicContact CG-CB 4.4Å; M878-V888 HydrophobicContact CG-CG1 4.48Å; M878-V888 HydrophobicContact CG-CG2 4.38Å; M878-V888 HydrophobicContact SD-CG2 4.35Å; M878-P890 HydrophobicContact SD-CB 3.69Å; M878-P890 HydrophobicContact SD-CG 3.55Å; M878-P890 VanDerWaalsContact SD-CG 3.55Å; M878-N901 HydrophobicContact CE-CB 3.79Å; M878-N901 WeakPolarHBondContact CE-OD1 3.49Å; M878-L904 HydrophobicContact CB-CD1 3.83Å; M878-L904 HydrophobicContact CB-CD2 4.22Å; M878-L904 HydrophobicContact CE-CD1 4.23Å; M878-L904 HydrophobicContact CE-CD2 4.15Å; M878-L904 HydrophobicContact SD-CD1 4.33Å |
| 879 | K | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 177.7 | -176.1 | 62 | 173.3 | -153.5 | 0 | 112.1 | Q875 V876 L881 I882 Q883 L904 F907 E908 L909 | Q875-K879 WeakPolarHBondContact O-CB 3.12Å; Q875-K879 PolarHBondContact O-N 3.36Å; V876-K879 PolarHBondContact O-N 2.74Å; K879-L881 VanDerWaalsContact C-N 3.29Å; K879-L881 PolarHBondContact O-N 3.49Å; K879-I882 PolarHBondContact O-N 3.31Å; K879-Q883 HydrophobicContact CD-CG 4.36Å; K879-Q883 WeakPolarHBondContact O-CB 3.34Å; K879-Q883 PolarHBondContact O-N 3.25Å; K879-L904 WeakPolarHBondContact CD-O 3.26Å; K879-L904 PolarHBondContact NZ-O 3.19Å; K879-F907 HydrophobicContact CB-CE1 4.45Å; K879-F907 HydrophobicContact CB-CE2 4.15Å; K879-F907 HydrophobicContact CB-CZ 3.71Å; K879-F907 WeakPolarHBondContact CE-O 3.29Å; K879-F907 HydrophobicContact CG-CE1 4.5Å; K879-F907 HydrophobicContact CG-CE2 4Å; K879-F907 HydrophobicContact CG-CZ 3.9Å; K879-F907 PolarHBondContact NZ-O 2.93Å; K879-E908 WeakPolarHBondContact CE-OE1 3.36Å; K879-E908 IonicContact NZ-OE1 2.81Å; K879-E908 PolarHBondContact NZ-OE1 3.36Å; K879-L909 HydrophobicContact CB-CD1 4.31Å; K879-L909 HydrophobicContact CB-CG 4.46Å; K879-L909 HydrophobicContact CG-CD1 4.25Å; K879-L909 HydrophobicContact CG-CG 3.97Å |
| 880 | W | 97.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -31.6 | 173.4 | 166.6 | 77.2 | 0 | 0 | 0 | 113.5 | L809 P812 F814 V876 M878 R884 L909 M914 L917 N918 | L809-W880 HydrophobicContact CB-CZ3 4.44Å; L809-W880 HydrophobicContact CD1-CH2 4.44Å; L809-W880 HydrophobicContact CD1-CZ2 4.46Å; P812-W880 HydrophobicContact CB-CH2 3.88Å; P812-W880 HydrophobicContact CB-CZ2 4.28Å; F814-W880 HydrophobicContact CE1-CZ2 4.47Å; F814-W880 HydrophobicContact CZ-CZ2 4.38Å; V876-W880 PolarHBondContact O-N 3.05Å; M878-W880 VanDerWaalsContact C-N 3.33Å; M878-W880 PolarHBondContact O-N 2.97Å; W880-R884 WeakPolarHBondContact O-CD 3.29Å; W880-R884 WeakPolarHBondContact O-CG 3.32Å; W880-L909 HydrophobicContact CB-CD1 3.83Å; W880-M914 HydrophobicContact CB-SD 4.33Å; W880-M914 HydrophobicContact CG-SD 4.44Å; W880-L917 HydrophobicContact CB-CD1 3.87Å; W880-L917 HydrophobicContact CD2-CB 4.46Å; W880-L917 HydrophobicContact CG-CB 4.09Å; W880-L917 HydrophobicContact CG-CD1 3.95Å; W880-N918 PolarHBondContact NE1-OD1 2.85Å |
| 881 | L | 97 | Very high | 94 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -76.5 | -42.7 | 171.4 | -70.1 | 170.1 | 0 | 0 | 0 | 111.7 | A829 P832 M878 K879 Q883 R884 I886 V888 | A829-L881 HydrophobicContact CB-CD1 3.86Å; P832-L881 HydrophobicContact CB-CD1 3.47Å; P832-L881 VanDerWaalsContact CB-CD1 3.47Å; M878-L881 PolarHBondContact O-N 3.02Å; M878-L881 VanDerWaalsContact O-N 3.13Å; K879-L881 VanDerWaalsContact C-N 3.29Å; K879-L881 PolarHBondContact O-N 3.49Å; L881-Q883 PolarHBondContact O-N 2.59Å; L881-R884 WeakPolarHBondContact O-CA 3.47Å; L881-R884 WeakPolarHBondContact O-CB 3.42Å; L881-R884 PolarHBondContact O-N 3.4Å; L881-I886 HydrophobicContact CB-CB 4.23Å; L881-I886 HydrophobicContact CB-CG2 4.36Å; L881-I886 HydrophobicContact CD2-CD1 3.95Å; L881-I886 HydrophobicContact CD2-CG2 4.36Å; L881-I886 WeakPolarHBondContact O-CB 3.47Å; L881-I886 PolarHBondContact O-N 3.42Å; L881-I886 VanDerWaalsContact O-N 3.09Å; L881-V888 HydrophobicContact CB-CG1 3.58Å; L881-V888 HydrophobicContact CD1-CG1 3.8Å; L881-V888 HydrophobicContact CG-CG1 4.35Å |
| 882 | I | 92 | Very high | 93.8 | Very high | 12 Ų | 12 | 18.5 Ų | 18.5 | 6% | 0.062 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.3 | -74.9 | 171.2 | 0 | 0 | 0 | 111.5 | L622 V623 M878 K879 R884 D885 V888 L904 F905 | L622-I882 HydrophobicContact CD1-CG2 4.26Å; V623-I882 HydrophobicContact CG2-CD1 3.79Å; M878-I882 WeakPolarHBondContact O-CG1 3.45Å; M878-I882 PolarHBondContact O-N 3.25Å; K879-I882 PolarHBondContact O-N 3.31Å; I882-R884 PolarHBondContact O-N 2.89Å; I882-D885 PolarHBondContact O-N 3.28Å; I882-V888 HydrophobicContact CD1-CG2 3.92Å; I882-V888 HydrophobicContact CG1-CG1 4.42Å; I882-V888 HydrophobicContact CG1-CG2 4.04Å; I882-L904 HydrophobicContact CD1-CB 4.07Å; I882-L904 HydrophobicContact CD1-CD1 3.54Å; I882-L904 HydrophobicContact CD1-CG 4.44Å; I882-F905 HydrophobicContact CG2-CE1 4.46Å |
| 883 | Q | 90.8 | Very high | 93.5 | Very high | 59 Ų | 59 | 19.3 Ų | 19.3 | 28% | 0.276 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 5.5 | 174.3 | -75.5 | -179.6 | -115.4 | 0 | 0 | 114 | K879 L881 L909 M914 | K879-Q883 HydrophobicContact CD-CG 4.36Å; K879-Q883 WeakPolarHBondContact O-CB 3.34Å; K879-Q883 PolarHBondContact O-N 3.25Å; L881-Q883 PolarHBondContact O-N 2.59Å; Q883-L909 PolarHBondContact NE2-O 3.2Å; Q883-M914 HydrophobicContact CB-CE 3.51Å; Q883-M914 HydrophobicContact CB-SD 3.87Å |
| 884 | R | 91.7 | Very high | 93.2 | Very high | 20 Ų | 20 | 21.3 Ų | 21.3 | 8% | 0.075 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 3.9 | 168 | -68.8 | 169.7 | 53.3 | -169.6 | -6.7 | 113 | P812 H817 K821 W880 L881 I882 I886 M914 | P812-R884 PolarHBondContact O-NH1 2.71Å; P812-R884 PolarHBondContact O-NH2 2.87Å; H817-R884 PolarHBondContact CE1-O 3.19Å; H817-R884 PolarHBondContact NE2-O 2.72Å; K821-R884 WeakPolarHBondContact CE-O 3.48Å; K821-R884 PolarHBondContact NZ-O 3.32Å; W880-R884 WeakPolarHBondContact O-CD 3.29Å; W880-R884 WeakPolarHBondContact O-CG 3.32Å; L881-R884 WeakPolarHBondContact O-CA 3.47Å; L881-R884 WeakPolarHBondContact O-CB 3.42Å; L881-R884 PolarHBondContact O-N 3.4Å; I882-R884 PolarHBondContact O-N 2.89Å; R884-I886 HydrophobicContact CB-CD1 3.98Å; R884-I886 HydrophobicContact CB-CG1 4.14Å; R884-M914 HydrophobicContact CG-CE 4.17Å |
| 885 | D | 87.1 | Confident | 92.6 | Very high | 96 Ų | 96 | 23.1 Ų | 23.1 | 51% | 0.513 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 27.3 | -168.1 | -46.7 | -59.6 | 0 | 0 | 0 | 114.6 | K821 I882 | K821-D885 WeakPolarHBondContact CE-OD2 3.08Å; K821-D885 IonicContact NZ-OD2 2.73Å; K821-D885 PolarHBondContact NZ-OD2 2.76Å; I882-D885 PolarHBondContact O-N 3.28Å |
| 886 | I | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.6 | 179.6 | -61.5 | 171.7 | 0 | 0 | 0 | 110.1 | F827 A829 L881 R884 | F827-I886 HydrophobicContact CB-CG1 4.4Å; F827-I886 HydrophobicContact CD1-CD1 4.14Å; F827-I886 HydrophobicContact CD1-CG1 4.03Å; F827-I886 HydrophobicContact CD1-CG2 3.91Å; A829-I886 HydrophobicContact CB-CG2 3.59Å; L881-I886 HydrophobicContact CB-CB 4.23Å; L881-I886 HydrophobicContact CB-CG2 4.36Å; L881-I886 HydrophobicContact CD2-CD1 3.95Å; L881-I886 HydrophobicContact CD2-CG2 4.36Å; L881-I886 WeakPolarHBondContact O-CB 3.47Å; L881-I886 PolarHBondContact O-N 3.42Å; L881-I886 VanDerWaalsContact O-N 3.09Å; R884-I886 HydrophobicContact CB-CD1 3.98Å; R884-I886 HydrophobicContact CB-CG1 4.14Å |
| 887 | I | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 131.6 | 174.8 | -59.8 | 155 | 0 | 0 | 0 | 108.6 | V612 M620 P621 L622 F827 T828 A829 | V612-I887 HydrophobicContact CB-CD1 4.23Å; V612-I887 HydrophobicContact CB-CG1 4.31Å; V612-I887 HydrophobicContact CG2-CD1 4.36Å; V612-I887 HydrophobicContact CG2-CG1 3.94Å; M620-I887 HydrophobicContact CB-CD1 4.46Å; M620-I887 HydrophobicContact CE-CD1 4.13Å; M620-I887 HydrophobicContact CE-CG2 4.45Å; M620-I887 HydrophobicContact CG-CD1 3.98Å; M620-I887 HydrophobicContact SD-CD1 3.71Å; P621-I887 WeakPolarHBondContact O-CG2 3.16Å; L622-I887 HydrophobicContact CD2-CG1 4.1Å; F827-I887 PolarHBondContact O-N 3.19Å; T828-I887 CarbonylContact C-O 2.94Å; T828-I887 WeakPolarHBondContact CA-O 3.47Å; T828-I887 HydrophobicContact CG2-CB 4.42Å; T828-I887 HydrophobicContact CG2-CG2 4.24Å; A829-I887 PolarHBondContact N-O 3.07Å |
| 888 | V | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.7 | -178.9 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | L622 V623 G624 P832 M878 L881 I882 P890 L904 | L622-V888 WeakPolarHBondContact O-CG2 3.27Å; L622-V888 PolarHBondContact O-N 3.38Å; V623-V888 HydrophobicContact CG2-CG2 4.2Å; G624-V888 PolarHBondContact N-O 3.26Å; P832-V888 HydrophobicContact CB-CB 4.24Å; P832-V888 HydrophobicContact CB-CG1 4.07Å; P832-V888 HydrophobicContact CG-CB 4.19Å; M878-V888 HydrophobicContact CB-CG1 4.4Å; M878-V888 HydrophobicContact CB-CG2 4.23Å; M878-V888 HydrophobicContact CG-CB 4.4Å; M878-V888 HydrophobicContact CG-CG1 4.48Å; M878-V888 HydrophobicContact CG-CG2 4.38Å; M878-V888 HydrophobicContact SD-CG2 4.35Å; L881-V888 HydrophobicContact CB-CG1 3.58Å; L881-V888 HydrophobicContact CD1-CG1 3.8Å; L881-V888 HydrophobicContact CG-CG1 4.35Å; I882-V888 HydrophobicContact CD1-CG2 3.92Å; I882-V888 HydrophobicContact CG1-CG1 4.42Å; I882-V888 HydrophobicContact CG1-CG2 4.04Å; V888-P890 VanDerWaalsContact C-CD 3.49Å; V888-P890 WeakPolarHBondContact O-CD 3.27Å; V888-L904 HydrophobicContact CG2-CD1 4.46Å |
| 889 | I | 94.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.046 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 73.4 | 177.2 | 49 | 167.9 | 0 | 0 | 0 | 112.1 | G624 D651 Q804 T828 A829 | G624-I889 WeakPolarHBondContact O-CA 3.48Å; D651-I889 HydrophobicContact CB-CD1 4.1Å; D651-I889 HydrophobicContact CB-CG2 4.16Å; D651-I889 VanDerWaalsContact OD1-CD1 3.28Å; D651-I889 WeakPolarHBondContact OD1-CD1 3.36Å; Q804-I889 HydrophobicContact CG-CD1 4.41Å; T828-I889 HydrophobicContact CG2-CD1 3.86Å; T828-I889 HydrophobicContact CG2-CG1 3.95Å; T828-I889 HydrophobicContact CG2-CG2 4.24Å; A829-I889 VanDerWaalsContact O-CG1 3.24Å; A829-I889 WeakPolarHBondContact O-CG1 3.42Å; A829-I889 PolarHBondContact O-N 3.45Å |
| 890 | P | 93 | Very high | 90.5 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | trans | -62.3 | 149.4 | 170.1 | 29.2 | -38.3 | 0 | 0 | 0 | 112.3 | G624 G626 M878 V888 N901 | G624-P890 WeakPolarHBondContact O-CD 3.46Å; G626-P890 PolarHBondContact N-O 2.95Å; M878-P890 HydrophobicContact SD-CB 3.69Å; M878-P890 HydrophobicContact SD-CG 3.55Å; M878-P890 VanDerWaalsContact SD-CG 3.55Å; V888-P890 VanDerWaalsContact C-CD 3.49Å; V888-P890 WeakPolarHBondContact O-CD 3.27Å; P890-N901 HydrophobicContact CG-CB 4.26Å | ||
| 891 | K | 88.1 | Confident | 90.3 | Very high | 78 Ų | 78 | 34.9 Ų | 34.9 | 34% | 0.339 | 19% | 0.192 | S | C | . | . | trans | -116.1 | 128.8 | 172.1 | -178.4 | -103.8 | -178 | 153.5 | 0 | 110.5 | G626 W628 Q629 | G626-K891 VanDerWaalsContact O-CB 3.27Å; G626-K891 WeakPolarHBondContact O-CB 3.22Å; G626-K891 WeakPolarHBondContact O-CG 3.38Å; W628-K891 WeakPolarHBondContact O-CD 3.45Å; W628-K891 WeakPolarHBondContact O-CE 3.36Å; W628-K891 PolarHBondContact O-NZ 3.2Å; Q629-K891 PolarHBondContact O-NZ 3.44Å | ||
| 892 | S | 89 | Confident | 89.8 | Confident | 15 Ų | 15 | 37 Ų | 37 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | trans | -152.8 | 144 | 170 | 179 | 0 | 0 | 0 | 0 | 110.3 | Y625 N894 H897 I898 | Y625-S892 VanDerWaalsContact CE2-O 3.31Å; Y625-S892 WeakPolarHBondContact CE2-O 3.46Å; Y625-S892 PolarHBondContact OH-O 3.43Å; S892-N894 PolarHBondContact OG-N 2.96Å; S892-N894 PolarHBondContact OG-O 3.42Å; S892-H897 WeakPolarHBondContact OG-CB 3.35Å; S892-I898 WeakPolarHBondContact O-CD1 3.49Å | ||
| 893 | T | 86.3 | Confident | 89.5 | Confident | 52 Ų | 52 | 40.8 Ų | 40.8 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | trans | -104.4 | -4.9 | 165.8 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | A634 P895 | A634-T893 HydrophobicContact CB-CG2 4.15Å; A634-T893 WeakPolarHBondContact O-CB 3.47Å; A634-T893 VanDerWaalsContact O-CG2 3.26Å; A634-T893 WeakPolarHBondContact O-CG2 3.39Å; T893-P895 WeakPolarHBondContact O-CD 3.44Å | ||
| 894 | N | 88 | Confident | 89.3 | Confident | 64 Ų | 64 | 38 Ų | 38 | 34% | 0.342 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -83.1 | 119.7 | 175.4 | 178.8 | 0.2 | 0 | 0 | 0 | 110.3 | S892 S896 H897 I898 | S892-N894 PolarHBondContact OG-N 2.96Å; S892-N894 PolarHBondContact OG-O 3.42Å; N894-S896 VanDerWaalsContact C-N 3.33Å; N894-S896 PolarHBondContact ND2-OG 3.31Å; N894-S896 PolarHBondContact O-N 2.89Å; N894-S896 PolarHBondContact OD1-N 3.39Å; N894-S896 PolarHBondContact OD1-OG 2.91Å; N894-H897 HydrophobicContact CB-CB 4.23Å; N894-H897 PolarHBondContact ND2-CD2 2.87Å; N894-H897 VanDerWaalsContact ND2-CD2 3.29Å; N894-H897 PolarHBondContact ND2-NE2 2.7Å; N894-H897 PolarHBondContact O-N 3.06Å; N894-I898 WeakPolarHBondContact O-CG1 3.06Å; N894-I898 PolarHBondContact O-N 3.2Å |
| 895 | P | 82 | Confident | 88.8 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -50.1 | -41.9 | 178.6 | -32.2 | 38.7 | 0 | 0 | 0 | 115.6 | K641 T893 I898 V899 | K641-P895 HydrophobicContact CG-CB 4.12Å; T893-P895 WeakPolarHBondContact O-CD 3.44Å; P895-I898 PolarHBondContact O-N 2.81Å; P895-V899 WeakPolarHBondContact O-CG2 3.44Å; P895-V899 PolarHBondContact O-N 3.31Å; P895-V899 VanDerWaalsContact O-N 3.09Å |
| 896 | S | 83.6 | Confident | 88.5 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.6 | -38 | -177.3 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | N894 I898 V899 S900 | N894-S896 VanDerWaalsContact C-N 3.33Å; N894-S896 PolarHBondContact ND2-OG 3.31Å; N894-S896 PolarHBondContact O-N 2.89Å; N894-S896 PolarHBondContact OD1-N 3.39Å; N894-S896 PolarHBondContact OD1-OG 2.91Å; S896-I898 VanDerWaalsContact C-N 3.32Å; S896-V899 PolarHBondContact O-N 3.11Å; S896-S900 WeakPolarHBondContact O-CB 3.34Å; S896-S900 PolarHBondContact O-N 2.99Å |
| 897 | H | 91.3 | Very high | 88.1 | Confident | 104 Ų | 104 | 39.3 Ų | 39.3 | 48% | 0.481 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.2 | -32.9 | 174 | -63.8 | -174.2 | 0 | 0 | 0 | 111.4 | S892 N894 N901 | S892-H897 WeakPolarHBondContact OG-CB 3.35Å; N894-H897 HydrophobicContact CB-CB 4.23Å; N894-H897 PolarHBondContact ND2-CD2 2.87Å; N894-H897 VanDerWaalsContact ND2-CD2 3.29Å; N894-H897 PolarHBondContact ND2-NE2 2.7Å; N894-H897 PolarHBondContact O-N 3.06Å; H897-N901 WeakPolarHBondContact O-CB 3.33Å; H897-N901 PolarHBondContact O-N 3.43Å; H897-N901 PolarHBondContact O-ND2 2.82Å |
| 898 | I | 89.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -43.7 | 176.4 | -66.3 | 164.9 | 0 | 0 | 0 | 110.4 | Y625 G638 K641 A642 Y647 S892 N894 P895 S896 F902 | Y625-I898 HydrophobicContact CE2-CD1 4.12Å; Y625-I898 HydrophobicContact CE2-CG1 4.24Å; G638-I898 WeakPolarHBondContact O-CD1 3.45Å; K641-I898 HydrophobicContact CB-CD1 4.39Å; K641-I898 HydrophobicContact CG-CG2 4.41Å; A642-I898 HydrophobicContact CB-CG2 3.97Å; Y647-I898 HydrophobicContact CD2-CG2 4.3Å; Y647-I898 HydrophobicContact CE2-CG2 3.85Å; S892-I898 WeakPolarHBondContact O-CD1 3.49Å; N894-I898 WeakPolarHBondContact O-CG1 3.06Å; N894-I898 PolarHBondContact O-N 3.2Å; P895-I898 PolarHBondContact O-N 2.81Å; S896-I898 VanDerWaalsContact C-N 3.32Å; I898-F902 PolarHBondContact O-N 3.48Å |
| 899 | V | 84.7 | Confident | 87.5 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 30% | 0.297 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61 | -53.9 | 173.2 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | V645 P895 S896 N901 F902 Q903 | V645-V899 HydrophobicContact CG2-CG2 3.64Å; P895-V899 WeakPolarHBondContact O-CG2 3.44Å; P895-V899 PolarHBondContact O-N 3.31Å; P895-V899 VanDerWaalsContact O-N 3.09Å; S896-V899 PolarHBondContact O-N 3.11Å; V899-N901 VanDerWaalsContact C-N 3.33Å; V899-N901 PolarHBondContact O-N 3Å; V899-F902 PolarHBondContact O-N 2.96Å; V899-F902 VanDerWaalsContact O-N 3.08Å; V899-Q903 PolarHBondContact O-N 3.09Å |
| 900 | S | 88.1 | Confident | 87.2 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -35.7 | -176.9 | 178.4 | 0 | 0 | 0 | 0 | 113 | S872 Q875 S896 F902 Q903 | S872-S900 PolarHBondContact OG-OG 3.03Å; Q875-S900 WeakPolarHBondContact CG-O 3.48Å; Q875-S900 PolarHBondContact NE2-O 2.65Å; Q875-S900 PolarHBondContact OE1-OG 3.33Å; S896-S900 WeakPolarHBondContact O-CB 3.34Å; S896-S900 PolarHBondContact O-N 2.99Å; S900-F902 PolarHBondContact O-N 2.8Å; S900-Q903 PolarHBondContact O-N 3.35Å |
| 901 | N | 92.3 | Very high | 86.6 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.3 | -13.7 | 177.1 | -73.7 | -16 | 0 | 0 | 0 | 113.9 | Y647 P874 M878 P890 H897 V899 L904 | Y647-N901 WeakPolarHBondContact OH-CB 3.35Å; P874-N901 WeakPolarHBondContact CB-OD1 3.4Å; M878-N901 HydrophobicContact CE-CB 3.79Å; M878-N901 WeakPolarHBondContact CE-OD1 3.49Å; P890-N901 HydrophobicContact CG-CB 4.26Å; H897-N901 WeakPolarHBondContact O-CB 3.33Å; H897-N901 PolarHBondContact O-N 3.43Å; H897-N901 PolarHBondContact O-ND2 2.82Å; V899-N901 VanDerWaalsContact C-N 3.33Å; V899-N901 PolarHBondContact O-N 3Å; N901-L904 VanDerWaalsContact O-CD1 3.31Å; N901-L904 WeakPolarHBondContact O-CD1 3.29Å; N901-L904 WeakPolarHBondContact O-CG 3.31Å |
| 902 | F | 87.7 | Confident | 86.6 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 19% | 0.193 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -93.6 | -25.2 | 175.6 | -162.7 | -112.5 | 0 | 0 | 0 | 112.4 | V623 V645 G646 Y647 I898 V899 S900 L904 | V623-F902 HydrophobicContact CG1-CD2 4.09Å; V645-F902 HydrophobicContact CG1-CB 3.62Å; V645-F902 HydrophobicContact CG1-CD1 3.69Å; V645-F902 HydrophobicContact CG1-CG 3.75Å; V645-F902 WeakPolarHBondContact O-CD1 3.49Å; V645-F902 WeakPolarHBondContact O-CE1 3.04Å; G646-F902 VanDerWaalsContact O-CZ 3.27Å; G646-F902 WeakPolarHBondContact O-CZ 3.25Å; Y647-F902 HydrophobicContact CD1-CD2 4.26Å; Y647-F902 HydrophobicContact CD2-CB 4.48Å; Y647-F902 AromaticContact CD2-CD2 3.78Å; Y647-F902 HydrophobicContact CD2-CD2 3.78Å; Y647-F902 HydrophobicContact CD2-CE2 4.34Å; Y647-F902 HydrophobicContact CD2-CG 4.3Å; Y647-F902 HydrophobicContact CE1-CD2 4.21Å; Y647-F902 HydrophobicContact CE2-CB 3.79Å; Y647-F902 AromaticContact CE2-CD2 3.71Å; Y647-F902 HydrophobicContact CE2-CD2 3.71Å; Y647-F902 HydrophobicContact CE2-CG 4.05Å; Y647-F902 HydrophobicContact CG-CD2 4.07Å; Y647-F902 HydrophobicContact CG-CE2 4.29Å; Y647-F902 AromaticContact CZ-CD2 3.93Å; I898-F902 PolarHBondContact O-N 3.48Å; V899-F902 PolarHBondContact O-N 2.96Å; V899-F902 VanDerWaalsContact O-N 3.08Å; S900-F902 PolarHBondContact O-N 2.8Å; F902-L904 VanDerWaalsContact C-N 3.27Å; F902-L904 PolarHBondContact O-N 3.19Å |
| 903 | Q | 84.9 | Confident | 86.9 | Confident | 93 Ų | 93 | 53.8 Ų | 53.8 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | trans | -74.9 | 74.3 | 177.2 | -68.7 | 171.3 | -39.2 | 0 | 0 | 111.1 | Q875 V899 S900 | Q875-Q903 PolarHBondContact NE2-O 3.37Å; V899-Q903 PolarHBondContact O-N 3.09Å; S900-Q903 PolarHBondContact O-N 3.35Å | ||
| 904 | L | 88 | Confident | 87.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -122.3 | -0.1 | -176.6 | -57.2 | 179.9 | 0 | 0 | 0 | 113.8 | V623 Q875 M878 K879 I882 V888 N901 F902 | V623-L904 HydrophobicContact CG1-CD1 4.33Å; V623-L904 HydrophobicContact CG2-CD1 3.91Å; Q875-L904 HydrophobicContact CB-CD2 3.75Å; Q875-L904 HydrophobicContact CG-CD2 3.73Å; M878-L904 HydrophobicContact CB-CD1 3.83Å; M878-L904 HydrophobicContact CB-CD2 4.22Å; M878-L904 HydrophobicContact CE-CD1 4.23Å; M878-L904 HydrophobicContact CE-CD2 4.15Å; M878-L904 HydrophobicContact SD-CD1 4.33Å; K879-L904 WeakPolarHBondContact CD-O 3.26Å; K879-L904 PolarHBondContact NZ-O 3.19Å; I882-L904 HydrophobicContact CD1-CB 4.07Å; I882-L904 HydrophobicContact CD1-CD1 3.54Å; I882-L904 HydrophobicContact CD1-CG 4.44Å; V888-L904 HydrophobicContact CG2-CD1 4.46Å; N901-L904 VanDerWaalsContact O-CD1 3.31Å; N901-L904 WeakPolarHBondContact O-CD1 3.29Å; N901-L904 WeakPolarHBondContact O-CG 3.31Å; F902-L904 VanDerWaalsContact C-N 3.27Å; F902-L904 PolarHBondContact O-N 3.19Å | ||
| 905 | F | 80.7 | Confident | 87.3 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 22% | 0.219 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -112.8 | -0.3 | -173.7 | -56.4 | -66.9 | 0 | 0 | 0 | 113.4 | K610 V623 I882 | K610-F905 HydrophobicContact CB-CE1 3.93Å; K610-F905 HydrophobicContact CB-CZ 4.29Å; K610-F905 HydrophobicContact CD-CD1 3.98Å; K610-F905 HydrophobicContact CD-CE1 3.95Å; K610-F905 HydrophobicContact CG-CD1 4.23Å; K610-F905 HydrophobicContact CG-CE1 4.02Å; V623-F905 HydrophobicContact CG2-CE2 4.04Å; V623-F905 HydrophobicContact CG2-CZ 3.77Å; I882-F905 HydrophobicContact CG2-CE1 4.46Å |
| 906 | D | 80.4 | Confident | 87.7 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -105.3 | 21.2 | -177 | 68.4 | -20.6 | 0 | 0 | 0 | 112.8 | K871 | K871-D906 PolarHBondContact NZ-O 2.99Å; K871-D906 IonicContact NZ-OD1 3.28Å; K871-D906 PolarHBondContact NZ-OD1 3.29Å; K871-D906 IonicContact NZ-OD2 3.49Å; K871-D906 PolarHBondContact NZ-OD2 3.39Å |
| 907 | F | 85.9 | Confident | 88.3 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | trans | -167.3 | 160.2 | 168.8 | 75.1 | -69 | 0 | 0 | 0 | 109.6 | H869 K871 Q875 V876 K879 L909 | H869-F907 HydrophobicContact CB-CD2 4.11Å; H869-F907 AromaticContact CG-CD2 3.93Å; H869-F907 AromaticContact ND1-CD2 3.87Å; K871-F907 HydrophobicContact CB-CZ 4.4Å; K871-F907 HydrophobicContact CD-CD1 3.75Å; K871-F907 HydrophobicContact CD-CE1 4.02Å; K871-F907 HydrophobicContact CD-CG 4.17Å; K871-F907 HydrophobicContact CG-CD1 3.84Å; K871-F907 HydrophobicContact CG-CD2 4.07Å; K871-F907 HydrophobicContact CG-CE1 3.87Å; K871-F907 HydrophobicContact CG-CE2 4.11Å; K871-F907 HydrophobicContact CG-CG 3.94Å; K871-F907 HydrophobicContact CG-CZ 4.01Å; Q875-F907 HydrophobicContact CB-CE1 4.19Å; Q875-F907 HydrophobicContact CB-CZ 4.1Å; V876-F907 HydrophobicContact CG2-CE2 4.47Å; K879-F907 HydrophobicContact CB-CE1 4.45Å; K879-F907 HydrophobicContact CB-CE2 4.15Å; K879-F907 HydrophobicContact CB-CZ 3.71Å; K879-F907 WeakPolarHBondContact CE-O 3.29Å; K879-F907 HydrophobicContact CG-CE1 4.5Å; K879-F907 HydrophobicContact CG-CE2 4Å; K879-F907 HydrophobicContact CG-CZ 3.9Å; K879-F907 PolarHBondContact NZ-O 2.93Å; F907-L909 HydrophobicContact CD2-CD2 4.48Å; F907-L909 HydrophobicContact CE2-CD2 3.98Å; F907-L909 HydrophobicContact CE2-CG 4.45Å | ||
| 908 | E | 86.8 | Confident | 88.3 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | trans | -132.8 | 144.4 | 173.8 | -54.2 | -117.2 | 114.1 | 0 | 0 | 111.3 | H869 K879 | H869-E908 PolarHBondContact CE1-O 3.19Å; K879-E908 WeakPolarHBondContact CE-OE1 3.36Å; K879-E908 IonicContact NZ-OE1 2.81Å; K879-E908 PolarHBondContact NZ-OE1 3.36Å | ||
| 909 | L | 92 | Very high | 88.3 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | trans | -83 | 129.3 | 172.4 | -59.4 | 179.1 | 0 | 0 | 0 | 109 | I865 V876 K879 W880 Q883 F907 E913 M914 L917 | I865-L909 HydrophobicContact CG2-CD2 3.57Å; V876-L909 HydrophobicContact CG1-CD1 4.32Å; V876-L909 HydrophobicContact CG1-CD2 4.36Å; K879-L909 HydrophobicContact CB-CD1 4.31Å; K879-L909 HydrophobicContact CB-CG 4.46Å; K879-L909 HydrophobicContact CG-CD1 4.25Å; K879-L909 HydrophobicContact CG-CG 3.97Å; W880-L909 HydrophobicContact CB-CD1 3.83Å; Q883-L909 PolarHBondContact NE2-O 3.2Å; F907-L909 HydrophobicContact CD2-CD2 4.48Å; F907-L909 HydrophobicContact CE2-CD2 3.98Å; F907-L909 HydrophobicContact CE2-CG 4.45Å; L909-E913 HydrophobicContact CB-CB 4.28Å; L909-M914 HydrophobicContact CB-CG 3.96Å; L909-M914 HydrophobicContact CB-SD 3.94Å; L909-M914 HydrophobicContact CD1-SD 4Å; L909-L917 HydrophobicContact CD1-CD1 3.91Å | ||
| 910 | N | 88.1 | Confident | 88.4 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | trans | -76.6 | 166 | 176.6 | 53.9 | 72 | 0 | 0 | 0 | 111.9 | A912 E913 M914 | N910-A912 PolarHBondContact O-N 3.34Å; N910-A912 VanDerWaalsContact O-N 3.12Å; N910-A912 PolarHBondContact OD1-N 3.19Å; N910-E913 PolarHBondContact N-OE2 3.08Å; N910-E913 PolarHBondContact ND2-OE1 2.86Å; N910-E913 PolarHBondContact ND2-OE2 3.17Å; N910-E913 VanDerWaalsContact ND2-OE2 3.11Å; N910-E913 WeakPolarHBondContact O-CB 3.46Å; N910-E913 PolarHBondContact O-N 2.77Å; N910-E913 PolarHBondContact OD1-N 3.41Å; N910-M914 PolarHBondContact O-N 3.33Å | ||
| 911 | D | 81.9 | Confident | 87.7 | Confident | 143 Ų | 143 | 58.3 Ų | 58.3 | 77% | 0.765 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -55 | -34.6 | -176 | -62.9 | -41.1 | 0 | 0 | 0 | 113.9 | K915 | D911-K915 WeakPolarHBondContact O-CB 3.49Å; D911-K915 PolarHBondContact O-N 3.13Å |
| 912 | A | 86.9 | Confident | 87 | Confident | 71 Ų | 71 | 59.9 Ų | 59.9 | 59% | 0.587 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.6 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | N910 A916 | N910-A912 PolarHBondContact O-N 3.34Å; N910-A912 VanDerWaalsContact O-N 3.12Å; N910-A912 PolarHBondContact OD1-N 3.19Å; A912-A916 VanDerWaalsContact O-CB 3.25Å; A912-A916 WeakPolarHBondContact O-CB 3.3Å; A912-A916 PolarHBondContact O-N 3.33Å |
| 913 | E | 95.4 | Very high | 86.5 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.2 | -44 | 174.9 | -73 | 158.1 | -164 | 0 | 0 | 111.9 | I865 K868 H869 L909 N910 K915 A916 L917 | I865-E913 HydrophobicContact CD1-CB 4.04Å; I865-E913 HydrophobicContact CD1-CG 4.04Å; I865-E913 HydrophobicContact CG1-CG 4.12Å; I865-E913 HydrophobicContact CG2-CG 4.35Å; K868-E913 WeakPolarHBondContact CD-OE1 3.49Å; K868-E913 WeakPolarHBondContact CE-OE1 3.43Å; K868-E913 IonicContact NZ-OE1 3.22Å; K868-E913 PolarHBondContact NZ-OE1 2.83Å; H869-E913 IonicContact CD2-OE2 2.67Å; H869-E913 IonicContact CE1-OE2 2.79Å; H869-E913 IonicContact NE2-OE1 2.72Å; H869-E913 IonicContact NE2-OE2 3.91Å; H869-E913 PolarHBondContact NE2-OE2 2.89Å; L909-E913 HydrophobicContact CB-CB 4.28Å; N910-E913 PolarHBondContact N-OE2 3.08Å; N910-E913 PolarHBondContact ND2-OE1 2.86Å; N910-E913 PolarHBondContact ND2-OE2 3.17Å; N910-E913 VanDerWaalsContact ND2-OE2 3.11Å; N910-E913 WeakPolarHBondContact O-CB 3.46Å; N910-E913 PolarHBondContact O-N 2.77Å; N910-E913 PolarHBondContact OD1-N 3.41Å; E913-K915 VanDerWaalsContact C-N 3.32Å; E913-K915 PolarHBondContact O-N 3.43Å; E913-A916 PolarHBondContact O-N 3.49Å; E913-L917 WeakPolarHBondContact O-CB 3.41Å; E913-L917 WeakPolarHBondContact O-CG 3.34Å; E913-L917 PolarHBondContact O-N 3.06Å |
| 914 | M | 96.1 | Very high | 85.7 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 174 | -73.3 | -64.7 | -68.4 | 0 | 0 | 111.4 | W880 Q883 R884 L909 N910 N918 | W880-M914 HydrophobicContact CB-SD 4.33Å; W880-M914 HydrophobicContact CG-SD 4.44Å; Q883-M914 HydrophobicContact CB-CE 3.51Å; Q883-M914 HydrophobicContact CB-SD 3.87Å; R884-M914 HydrophobicContact CG-CE 4.17Å; L909-M914 HydrophobicContact CB-CG 3.96Å; L909-M914 HydrophobicContact CB-SD 3.94Å; L909-M914 HydrophobicContact CD1-SD 4Å; N910-M914 PolarHBondContact O-N 3.33Å; M914-N918 PolarHBondContact O-N 3.49Å; M914-N918 VanDerWaalsContact O-N 3.1Å; M914-N918 PolarHBondContact O-ND2 3.22Å; M914-N918 VanDerWaalsContact O-ND2 3.14Å |
| 915 | K | 86.5 | Confident | 84.6 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -51.7 | 174.4 | 179.9 | 177.2 | 174.7 | 179.7 | 0 | 111.6 | D911 E913 L917 N918 E919 | D911-K915 WeakPolarHBondContact O-CB 3.49Å; D911-K915 PolarHBondContact O-N 3.13Å; E913-K915 VanDerWaalsContact C-N 3.32Å; E913-K915 PolarHBondContact O-N 3.43Å; K915-L917 VanDerWaalsContact C-N 3.29Å; K915-L917 PolarHBondContact O-N 2.94Å; K915-N918 WeakPolarHBondContact O-CB 3.5Å; K915-N918 PolarHBondContact O-N 3.39Å; K915-E919 WeakPolarHBondContact CE-OE1 3.43Å; K915-E919 WeakPolarHBondContact CE-OE2 3.43Å; K915-E919 HydrophobicContact CG-CG 4.33Å; K915-E919 IonicContact NZ-OE1 2.72Å; K915-E919 WeakPolarHBondContact O-CG 3.47Å; K915-E919 PolarHBondContact O-N 3.15Å |
| 916 | A | 91.5 | Very high | 83.7 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L861 A912 E913 E919 V920 | L861-A916 HydrophobicContact CD1-CB 4.36Å; L861-A916 HydrophobicContact CD2-CB 3.78Å; L861-A916 WeakPolarHBondContact CD2-O 3.4Å; A912-A916 VanDerWaalsContact O-CB 3.25Å; A912-A916 WeakPolarHBondContact O-CB 3.3Å; A912-A916 PolarHBondContact O-N 3.33Å; E913-A916 PolarHBondContact O-N 3.49Å; A916-E919 PolarHBondContact O-N 3.14Å; A916-V920 PolarHBondContact O-N 2.95Å |
| 917 | L | 95.1 | Very high | 82.3 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 174.8 | -71.3 | 169.5 | 0 | 0 | 0 | 112.5 | L809 L861 I865 V876 W880 L909 E913 K915 E919 | L809-L917 HydrophobicContact CD1-CB 3.99Å; L809-L917 HydrophobicContact CD1-CD2 3.8Å; L809-L917 WeakPolarHBondContact CD1-O 3.46Å; L809-L917 HydrophobicContact CD2-CD2 4.2Å; L861-L917 HydrophobicContact CD2-CD2 4Å; L861-L917 HydrophobicContact CD2-CG 4.35Å; L861-L917 HydrophobicContact CG-CD2 4.2Å; I865-L917 HydrophobicContact CD1-CD1 3.95Å; I865-L917 HydrophobicContact CD1-CD2 4.07Å; I865-L917 HydrophobicContact CD1-CG 3.84Å; V876-L917 HydrophobicContact CG1-CD1 4.09Å; W880-L917 HydrophobicContact CB-CD1 3.87Å; W880-L917 HydrophobicContact CD2-CB 4.46Å; W880-L917 HydrophobicContact CG-CB 4.09Å; W880-L917 HydrophobicContact CG-CD1 3.95Å; L909-L917 HydrophobicContact CD1-CD1 3.91Å; E913-L917 WeakPolarHBondContact O-CB 3.41Å; E913-L917 WeakPolarHBondContact O-CG 3.34Å; E913-L917 PolarHBondContact O-N 3.06Å; K915-L917 VanDerWaalsContact C-N 3.29Å; K915-L917 PolarHBondContact O-N 2.94Å; L917-E919 VanDerWaalsContact C-N 3.33Å; L917-E919 PolarHBondContact O-N 2.8Å |
| 918 | N | 92.1 | Very high | 80.2 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 172.9 | -70 | -28.5 | 0 | 0 | 0 | 112.3 | F814 W880 M914 K915 V920 R923 | F814-N918 WeakPolarHBondContact CE1-OD1 3.39Å; F814-N918 HydrophobicContact CZ-CB 3.97Å; W880-N918 PolarHBondContact NE1-OD1 2.85Å; M914-N918 PolarHBondContact O-N 3.49Å; M914-N918 VanDerWaalsContact O-N 3.1Å; M914-N918 PolarHBondContact O-ND2 3.22Å; M914-N918 VanDerWaalsContact O-ND2 3.14Å; K915-N918 WeakPolarHBondContact O-CB 3.5Å; K915-N918 PolarHBondContact O-N 3.39Å; N918-V920 VanDerWaalsContact C-N 3.32Å; N918-V920 PolarHBondContact O-N 3.3Å; N918-R923 PolarHBondContact O-NH2 3Å |
| 919 | E | 88.9 | Confident | 78.1 | Confident | 116 Ų | 116 | 58.6 Ų | 58.6 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.3 | -7 | -176.7 | -71.3 | 179.1 | 155.9 | 0 | 0 | 114.6 | K915 A916 L917 Q921 | K915-E919 WeakPolarHBondContact CE-OE1 3.43Å; K915-E919 WeakPolarHBondContact CE-OE2 3.43Å; K915-E919 HydrophobicContact CG-CG 4.33Å; K915-E919 IonicContact NZ-OE1 2.72Å; K915-E919 WeakPolarHBondContact O-CG 3.47Å; K915-E919 PolarHBondContact O-N 3.15Å; A916-E919 PolarHBondContact O-N 3.14Å; L917-E919 VanDerWaalsContact C-N 3.33Å; L917-E919 PolarHBondContact O-N 2.8Å; E919-Q921 PolarHBondContact O-N 2.75Å |
| 920 | V | 87.9 | Confident | 75.3 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 11% | 0.109 | 31% | 0.314 | C | S | . | . | trans | -54.1 | 113.5 | 172.3 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | L809 Y810 L861 A916 N918 I922 R923 | L809-V920 HydrophobicContact CD1-CB 4.23Å; L809-V920 HydrophobicContact CD1-CG2 4.07Å; L809-V920 HydrophobicContact CD2-CG1 4.47Å; L809-V920 HydrophobicContact CD2-CG2 4.38Å; L809-V920 HydrophobicContact CG-CB 4.4Å; L809-V920 HydrophobicContact CG-CG1 4.25Å; L809-V920 HydrophobicContact CG-CG2 4.4Å; Y810-V920 HydrophobicContact CD1-CG1 4.01Å; Y810-V920 HydrophobicContact CE1-CG1 3.83Å; L861-V920 HydrophobicContact CD2-CG2 3.83Å; A916-V920 PolarHBondContact O-N 2.95Å; N918-V920 VanDerWaalsContact C-N 3.32Å; N918-V920 PolarHBondContact O-N 3.3Å; V920-I922 VanDerWaalsContact C-N 3.28Å; V920-I922 HydrophobicContact CG1-CB 4.36Å; V920-I922 PolarHBondContact O-N 3.34Å; V920-R923 PolarHBondContact O-NH1 3.2Å; V920-R923 PolarHBondContact O-NH2 2.75Å; V920-R923 VanDerWaalsContact O-NH2 3.11Å | ||
| 921 | Q | 73.3 | Confident | 72.6 | Confident | 182 Ų | 182 | 64.2 Ų | 64.2 | 85% | 0.85 | 32% | 0.319 | S | S | * | . | trans | -76.6 | -5.7 | -169.6 | -65.4 | -167.6 | -12.6 | 0 | 0 | 115.4 | E919 R923 | E919-Q921 PolarHBondContact O-N 2.75Å; Q921-R923 PolarHBondContact O-N 3.01Å | ||
| 922 | I | 77.4 | Confident | 70.4 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | trans | -71 | 124 | 179.6 | -58.7 | 171.6 | 0 | 0 | 0 | 109.1 | Y810 V920 Q924 | Y810-I922 WeakPolarHBondContact CA-O 3.11Å; Y810-I922 HydrophobicContact CD1-CB 3.63Å; Y810-I922 HydrophobicContact CD1-CD1 4.28Å; Y810-I922 HydrophobicContact CD1-CG2 3.79Å; Y810-I922 HydrophobicContact CD2-CG2 3.96Å; Y810-I922 HydrophobicContact CE1-CB 3.93Å; Y810-I922 HydrophobicContact CE1-CD1 3.67Å; Y810-I922 HydrophobicContact CE1-CG1 4.31Å; Y810-I922 HydrophobicContact CE1-CG2 4.24Å; Y810-I922 HydrophobicContact CE2-CD1 4.35Å; Y810-I922 HydrophobicContact CE2-CG2 4.38Å; Y810-I922 HydrophobicContact CG-CB 4.03Å; Y810-I922 HydrophobicContact CG-CG2 3.62Å; V920-I922 VanDerWaalsContact C-N 3.28Å; V920-I922 HydrophobicContact CG1-CB 4.36Å; V920-I922 PolarHBondContact O-N 3.34Å; I922-Q924 HydrophobicContact CG2-CG 4.07Å | ||
| 923 | R | 75.9 | Confident | 67.8 | Low | 107 Ų | 107 | 63.2 Ų | 63.2 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | trans | -130.4 | 81.9 | -179.1 | -64.6 | -66.9 | 174.4 | -100 | -3.4 | 110.1 | L809 Y810 N918 V920 Q921 | L809-R923 PolarHBondContact O-NH1 3.2Å; Y810-R923 CarbonylContact O-C 3.6Å; Y810-R923 VanDerWaalsContact O-CA 3.24Å; Y810-R923 WeakPolarHBondContact O-CA 3.33Å; N918-R923 PolarHBondContact O-NH2 3Å; V920-R923 PolarHBondContact O-NH1 3.2Å; V920-R923 PolarHBondContact O-NH2 2.75Å; V920-R923 VanDerWaalsContact O-NH2 3.11Å; Q921-R923 PolarHBondContact O-N 3.01Å | ||
| 924 | Q | 68.7 | Low | 64.7 | Low | 50 Ų | 50 | 65.7 Ų | 65.7 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | trans | -138.3 | 138.1 | -179.5 | 75.7 | -165.5 | 13.9 | 0 | 0 | 110.9 | H808 Y810 R854 I922 | H808-Q924 PolarHBondContact CE1-O 2.69Å; Y810-Q924 CarbonylContact C-O 3.19Å; Y810-Q924 PolarHBondContact O-N 3.34Å; Y810-Q924 VanDerWaalsContact O-O 3.12Å; R854-Q924 PolarHBondContact O-NE2 2.83Å; I922-Q924 HydrophobicContact CG2-CG 4.07Å | ||
| 925 | R | 64.5 | Low | 61.7 | Low | 69 Ų | 69 | 65.9 Ų | 65.9 | 26% | 0.26 | 32% | 0.316 | S | S | . | . | trans | -77 | 145.5 | 165.7 | -66.3 | -178.4 | 176.3 | -98.7 | 10.2 | 110.3 | E806 W811 Q853 A927 | E806-R925 WeakPolarHBondContact OE1-CB 3.42Å; E806-R925 WeakPolarHBondContact OE2-CB 3.48Å; E806-R925 WeakPolarHBondContact OE2-CD 3.25Å; E806-R925 VanDerWaalsContact OE2-CG 3.24Å; E806-R925 WeakPolarHBondContact OE2-CG 3.46Å; E806-R925 IonicContact OE2-CZ 3.97Å; E806-R925 IonicContact OE2-NE 2.74Å; E806-R925 IonicContact OE2-NH1 3.73Å; E806-R925 PolarHBondContact OE2-NH1 3.47Å; W811-R925 HydrophobicContact CD2-CG 3.51Å; W811-R925 HydrophobicContact CE3-CG 3.85Å; W811-R925 HydrophobicContact CG-CG 3.95Å; W811-R925 HydrophobicContact CH2-CG 4.23Å; W811-R925 HydrophobicContact CZ2-CG 3.94Å; W811-R925 HydrophobicContact CZ3-CG 4.18Å; Q853-R925 PolarHBondContact NE2-O 3.49Å; R925-A927 WeakPolarHBondContact CB-O 3.48Å | ||
| 926 | I | 62 | Low | 59 | Low | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -90.7 | -25.1 | 173.4 | -59.2 | 162.6 | 0 | 0 | 0 | 109.7 | E806 H808 G834 P856 P928 | E806-I926 PolarHBondContact OE1-N 3.23Å; H808-I926 VanDerWaalsContact CE1-CD1 3.48Å; H808-I926 WeakPolarHBondContact CE1-CD1 3.48Å; H808-I926 WeakPolarHBondContact NE2-CD1 3.47Å; G834-I926 VanDerWaalsContact CA-CD1 3.41Å; P856-I926 HydrophobicContact CG-CD1 3.95Å; I926-P928 WeakPolarHBondContact O-CD 3.49Å |
| 927 | A | 51.8 | Low | 55.9 | Low | 11 Ų | 11 | 66.8 Ų | 66.8 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -104.5 | 91.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | E806 R925 F929 | E806-A927 PolarHBondContact OE1-N 3.15Å; R925-A927 WeakPolarHBondContact CB-O 3.48Å; A927-F929 PolarHBondContact O-N 3.35Å |
| 928 | P | 42.5 | Very low | 52.8 | Low | 52 Ų | 52 | 72.3 Ų | 72.3 | 34% | 0.338 | 36% | 0.359 | S | S | . | . | trans | -56.8 | 108.8 | 160.4 | 25.5 | -32.3 | 0 | 0 | 0 | 107.2 | I926 L930 | I926-P928 WeakPolarHBondContact O-CD 3.49Å; P928-L930 HydrophobicContact CB-CD1 4.45Å; P928-L930 PolarHBondContact O-N 3.23Å | ||
| 929 | F | 41.9 | Very low | 49.7 | Very low | 66 Ų | 66 | 72.2 Ų | 72.2 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | trans | -78.2 | 60.2 | -174.5 | -141.2 | -77.1 | 0 | 0 | 0 | 109.3 | N783 A927 W931 C932 | N783-F929 HydrophobicContact CB-CZ 4.47Å; A927-F929 PolarHBondContact O-N 3.35Å; F929-W931 PolarHBondContact O-N 2.89Å; F929-C932 HydrophobicContact CD1-CB 3.94Å; F929-C932 WeakPolarHBondContact CD1-SG 3.49Å; F929-C932 VanDerWaalsContact CE1-SG 3.53Å; F929-C932 PolarHBondContact O-N 3.06Å | ||
| 930 | L | 32.9 | Very low | 46.6 | Very low | 67 Ų | 67 | 76.2 Ų | 76.2 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 15.5 | -155.7 | -156.6 | 70.5 | 0 | 0 | 0 | 114.6 | I846 V848 P928 L934 | I846-L930 HydrophobicContact CD1-CD2 3.9Å; V848-L930 HydrophobicContact CG2-CD2 4.13Å; P928-L930 HydrophobicContact CB-CD1 4.45Å; P928-L930 PolarHBondContact O-N 3.23Å; L930-L934 HydrophobicContact CD1-CD1 3.74Å; L930-L934 HydrophobicContact CG-CD1 3.77Å; L930-L934 WeakPolarHBondContact O-CB 3.39Å |
| 931 | W | 32 | Very low | 43.6 | Very low | 123 Ų | 123 | 78 Ų | 78 | 47% | 0.466 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | -20.5 | 178.9 | -69.2 | 86.1 | 0 | 0 | 0 | 112.7 | F929 I935 | F929-W931 PolarHBondContact O-N 2.89Å; W931-I935 HydrophobicContact CB-CD1 4.21Å; W931-I935 HydrophobicContact CB-CG1 4.46Å; W931-I935 HydrophobicContact CE3-CD1 4.04Å; W931-I935 HydrophobicContact CE3-CG1 3.9Å; W931-I935 WeakPolarHBondContact O-CB 3.18Å; W931-I935 VanDerWaalsContact O-CD1 3.31Å; W931-I935 WeakPolarHBondContact O-CD1 3.28Å; W931-I935 WeakPolarHBondContact O-CG1 3.44Å; W931-I935 PolarHBondContact O-N 3.13Å |
| 932 | C | 35.3 | Very low | 41.4 | Very low | 38 Ų | 38 | 72.3 Ų | 72.3 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73.8 | -44.9 | 176.3 | -82.7 | 0 | 0 | 0 | 0 | 112.8 | F929 | F929-C932 HydrophobicContact CD1-CB 3.94Å; F929-C932 WeakPolarHBondContact CD1-SG 3.49Å; F929-C932 VanDerWaalsContact CE1-SG 3.53Å; F929-C932 PolarHBondContact O-N 3.06Å |
| 933 | E | 31.4 | Very low | 38.8 | Very low | 155 Ų | 155 | 77.5 Ų | 77.5 | 72% | 0.724 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -82.8 | -40.2 | 175.4 | -67.2 | -176.7 | -177 | 0 | 0 | 111.1 | I935 S936 | E933-I935 PolarHBondContact O-N 2.8Å; E933-S936 WeakPolarHBondContact O-CB 3.23Å; E933-S936 PolarHBondContact O-N 3Å |
| 934 | L | 30.9 | Very low | 36.5 | Very low | 66 Ų | 66 | 76.9 Ų | 76.9 | 35% | 0.346 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.1 | -24.4 | -178.8 | -95.7 | 165.2 | 0 | 0 | 0 | 114.1 | L930 S936 A937 Y938 | L930-L934 HydrophobicContact CD1-CD1 3.74Å; L930-L934 HydrophobicContact CG-CD1 3.77Å; L930-L934 WeakPolarHBondContact O-CB 3.39Å; L934-S936 VanDerWaalsContact C-N 3.3Å; L934-S936 PolarHBondContact O-N 3.25Å; L934-A937 HydrophobicContact CD2-CB 4.36Å; L934-A937 CarbonylContact O-C 3.52Å; L934-A937 PolarHBondContact O-N 3.24Å; L934-Y938 HydrophobicContact CB-CD2 4.42Å; L934-Y938 HydrophobicContact CD2-CD2 3.89Å; L934-Y938 HydrophobicContact CD2-CE2 4.01Å; L934-Y938 WeakPolarHBondContact O-CB 3.46Å; L934-Y938 PolarHBondContact O-N 3.25Å |
| 935 | I | 33.9 | Very low | 34.4 | Very low | 24 Ų | 24 | 81.2 Ų | 81.2 | 12% | 0.123 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.5 | -32.2 | 171.2 | -75.5 | 171.9 | 0 | 0 | 0 | 111.7 | M752 W931 E933 A937 Y938 C939 | M752-I935 HydrophobicContact CE-CD1 3.46Å; M752-I935 VanDerWaalsContact CE-CD1 3.46Å; M752-I935 HydrophobicContact SD-CD1 4.04Å; W931-I935 HydrophobicContact CB-CD1 4.21Å; W931-I935 HydrophobicContact CB-CG1 4.46Å; W931-I935 HydrophobicContact CE3-CD1 4.04Å; W931-I935 HydrophobicContact CE3-CG1 3.9Å; W931-I935 WeakPolarHBondContact O-CB 3.18Å; W931-I935 VanDerWaalsContact O-CD1 3.31Å; W931-I935 WeakPolarHBondContact O-CD1 3.28Å; W931-I935 WeakPolarHBondContact O-CG1 3.44Å; W931-I935 PolarHBondContact O-N 3.13Å; E933-I935 PolarHBondContact O-N 2.8Å; I935-A937 PolarHBondContact O-N 3.24Å; I935-A937 VanDerWaalsContact O-N 3.15Å; I935-Y938 PolarHBondContact O-N 3.47Å; I935-C939 VanDerWaalsContact O-CB 3.27Å; I935-C939 WeakPolarHBondContact O-CB 3.02Å; I935-C939 PolarHBondContact O-N 2.9Å; I935-C939 PolarHBondContact O-SG 2.99Å |
| 936 | S | 29.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 83.2 Ų | 83.2 | 72% | 0.72 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.1 | -19.5 | 172.1 | -70.2 | 0 | 0 | 0 | 0 | 113.2 | E933 L934 | E933-S936 WeakPolarHBondContact O-CB 3.23Å; E933-S936 PolarHBondContact O-N 3Å; L934-S936 VanDerWaalsContact C-N 3.3Å; L934-S936 PolarHBondContact O-N 3.25Å |
| 937 | A | 26.9 | Very low | 30.7 | Very low | 53 Ų | 53 | 90.7 Ų | 90.7 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -98.4 | -38.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L934 I935 C939 F940 | L934-A937 HydrophobicContact CD2-CB 4.36Å; L934-A937 CarbonylContact O-C 3.52Å; L934-A937 PolarHBondContact O-N 3.24Å; I935-A937 PolarHBondContact O-N 3.24Å; I935-A937 VanDerWaalsContact O-N 3.15Å; A937-C939 VanDerWaalsContact C-N 3.33Å; A937-C939 PolarHBondContact O-N 3.13Å; A937-F940 WeakPolarHBondContact O-CA 3.35Å; A937-F940 VanDerWaalsContact O-CB 3.3Å; A937-F940 WeakPolarHBondContact O-CB 3.22Å; A937-F940 PolarHBondContact O-N 2.64Å |
| 938 | Y | 28.4 | Very low | 29.3 | Very low | 118 Ų | 118 | 95.3 Ų | 95.3 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.2 | -21.6 | -179 | -98.6 | -84.5 | 0 | 0 | 0 | 113.6 | L934 I935 F940 A941 S942 | L934-Y938 HydrophobicContact CB-CD2 4.42Å; L934-Y938 HydrophobicContact CD2-CD2 3.89Å; L934-Y938 HydrophobicContact CD2-CE2 4.01Å; L934-Y938 WeakPolarHBondContact O-CB 3.46Å; L934-Y938 PolarHBondContact O-N 3.25Å; I935-Y938 PolarHBondContact O-N 3.47Å; Y938-F940 PolarHBondContact O-N 3.21Å; Y938-A941 HydrophobicContact CD1-CB 3.94Å; Y938-A941 HydrophobicContact CE1-CB 4.17Å; Y938-A941 HydrophobicContact CG-CB 4.38Å; Y938-A941 PolarHBondContact O-N 2.86Å; Y938-S942 PolarHBondContact O-N 3Å; Y938-S942 PolarHBondContact O-OG 2.95Å |
| 939 | C | 27 | Very low | 28.4 | Very low | 49 Ų | 49 | 101.2 Ų | 101.2 | 33% | 0.331 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -7.9 | 160.8 | -77.3 | 0 | 0 | 0 | 0 | 113.8 | W749 I935 A937 | W749-C939 HydrophobicContact CZ2-CB 4.29Å; W749-C939 PolarHBondContact NE1-SG 3.04Å; W749-C939 VanDerWaalsContact NE1-SG 3.41Å; I935-C939 VanDerWaalsContact O-CB 3.27Å; I935-C939 WeakPolarHBondContact O-CB 3.02Å; I935-C939 PolarHBondContact O-N 2.9Å; I935-C939 PolarHBondContact O-SG 2.99Å; A937-C939 VanDerWaalsContact C-N 3.33Å; A937-C939 PolarHBondContact O-N 3.13Å |
| 940 | F | 24.7 | Very low | 27.5 | Very low | 201 Ų | 201 | 105.9 Ų | 105.9 | 88% | 0.882 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -4.8 | 171.1 | -121.1 | -88 | 0 | 0 | 0 | 114.8 | A937 Y938 | A937-F940 WeakPolarHBondContact O-CA 3.35Å; A937-F940 VanDerWaalsContact O-CB 3.3Å; A937-F940 WeakPolarHBondContact O-CB 3.22Å; A937-F940 PolarHBondContact O-N 2.64Å; Y938-F940 PolarHBondContact O-N 3.21Å |
| 941 | A | 25.7 | Very low | 27 | Very low | 54 Ų | 54 | 111.2 Ų | 111.2 | 45% | 0.446 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.2 | -28.3 | -165 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y938 | Y938-A941 HydrophobicContact CD1-CB 3.94Å; Y938-A941 HydrophobicContact CE1-CB 4.17Å; Y938-A941 HydrophobicContact CG-CB 4.38Å; Y938-A941 PolarHBondContact O-N 2.86Å |
| 942 | S | 25.4 | Very low | 26.5 | Very low | 64 Ų | 64 | 111 Ų | 111 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.3 | 42.4 | -169.6 | 54.6 | 0 | 0 | 0 | 0 | 116.1 | Y938 | Y938-S942 PolarHBondContact O-N 3Å; Y938-S942 PolarHBondContact O-OG 2.95Å |
| 943 | V | 23.3 | Very low | 25.8 | Very low | 149 Ų | 149 | 116 Ų | 116 | 90% | 0.903 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -15.4 | 157 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 944 | I | 27.4 | Very low | 25.2 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 49% | 0.487 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -99.7 | -13.8 | -165.3 | -65.3 | 177.3 | 0 | 0 | 0 | 114 | T965 | I944-T965 HydrophobicContact CG2-CG2 4.39Š|
| 945 | L | 26.2 | Very low | 24.7 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -111 | 20.3 | -165.1 | -122.2 | 89.1 | 0 | 0 | 0 | 117.9 | ||
| 946 | L | 24.4 | Very low | 24.1 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 59% | 0.586 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -124.3 | 39.4 | 172.5 | -153.9 | 74.1 | 0 | 0 | 0 | 114.5 | H745 | H745-L946 HydrophobicContact CB-CD2 4.29Š|
| 947 | N | 22.6 | Very low | 23.8 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -118.5 | 5.3 | 163.5 | -100 | -38 | 0 | 0 | 0 | 112.8 | ||
| 948 | C | 23.4 | Very low | 23.9 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | -143.5 | 89.7 | -177.1 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 949 | L | 24 | Very low | 24.1 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | trans | -171.4 | 44.8 | 146.9 | -104.3 | 168 | 0 | 0 | 0 | 112.7 | ||||
| 950 | I | 22.1 | Very low | 25 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -108.3 | 108.4 | 156 | -57.9 | 175.1 | 0 | 0 | 0 | 106.8 | ||||
| 951 | M | 22.6 | Very low | 26.5 | Very low | 178 Ų | 178 | 126 Ų | 126 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | trans | -179.2 | 153 | 136.4 | -100 | -175.9 | -168.8 | 0 | 0 | 111.4 | ||||
| 952 | P | 21.9 | Very low | 28.8 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | trans | -88.9 | 163.4 | -171 | 35.8 | -36.4 | 0 | 0 | 0 | 114.5 | ||||
| 953 | V | 19.8 | Very low | 31.6 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | -33.3 | 127 | 171.6 | -177.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 954 | K | 19.8 | Very low | 34.5 | Very low | 184 Ų | 184 | 124.3 Ų | 124.3 | 80% | 0.8 | 70% | 0.697 | S | S | * | * | trans | -152.9 | 156.6 | 150.1 | -126.7 | 178.3 | 179.4 | -175.9 | 0 | 115.4 | ||||
| 955 | E | 20.2 | Very low | 37.5 | Very low | 153 Ų | 153 | 123 Ų | 123 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | trans | -64.4 | 145.4 | -161.8 | -61.1 | 131.5 | 129.7 | 0 | 0 | 116.4 | ||||
| 956 | S | 21.5 | Very low | 40.6 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 85% | 0.853 | 66% | 0.659 | S | S | * | * | trans | 33.2 | 91.2 | 149.3 | 62.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 957 | C | 22.6 | Very low | 43.4 | Very low | 131 Ų | 131 | 113.8 Ų | 113.8 | 89% | 0.885 | 64% | 0.644 | S | S | * | * | trans | -142.9 | 174.6 | 153.1 | -158.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 958 | A | 29.3 | Very low | 46.5 | Very low | 86 Ų | 86 | 109.2 Ų | 109.2 | 71% | 0.711 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 143 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 959 | M | 31.7 | Very low | 49.5 | Very low | 165 Ų | 165 | 106.2 Ų | 106.2 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 127.2 | 179.9 | -74.7 | -84 | -79 | 0 | 0 | 111.5 | S961 | M959-S961 PolarHBondContact O-N 2.89Š|
| 960 | P | 45.6 | Very low | 52.6 | Low | 116 Ų | 116 | 98.4 Ų | 98.4 | 75% | 0.753 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 129.4 | 179.4 | 27.5 | -33.7 | 0 | 0 | 0 | 110.8 | K962 | P960-K962 PolarHBondContact O-N 3.11Š|
| 961 | S | 56.6 | Low | 55.8 | Low | 21 Ų | 21 | 94.2 Ų | 94.2 | 15% | 0.147 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 128.3 | 170.2 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | M959 C963 | M959-S961 PolarHBondContact O-N 2.89Å; S961-C963 PolarHBondContact O-N 3.32Å; S961-C963 PolarHBondContact O-SG 3.32Å |
| 962 | K | 74.5 | Confident | 59.2 | Low | 112 Ų | 112 | 86 Ų | 86 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 139.3 | 174 | -60 | -175.4 | -177.5 | 177.1 | 0 | 109.5 | P960 L974 F1218 | P960-K962 PolarHBondContact O-N 3.11Å; K962-L974 HydrophobicContact CB-CD1 3.73Å; K962-L974 WeakPolarHBondContact O-CB 3.37Å; K962-L974 PolarHBondContact O-N 3.06Å; K962-F1218 HydrophobicContact CB-CD1 4.38Å; K962-F1218 HydrophobicContact CB-CE1 3.72Å; K962-F1218 HydrophobicContact CB-CZ 4Å; K962-F1218 HydrophobicContact CD-CD1 3.72Å; K962-F1218 HydrophobicContact CD-CE1 3.84Å; K962-F1218 HydrophobicContact CG-CD1 3.93Å; K962-F1218 HydrophobicContact CG-CE1 3.79Å; K962-F1218 HydrophobicContact CG-CZ 4.32Å |
| 963 | C | 84.5 | Confident | 62.5 | Low | 63 Ų | 63 | 80.8 Ų | 80.8 | 43% | 0.426 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 155.3 | -180 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | S961 P971 M972 | S961-C963 PolarHBondContact O-N 3.32Å; S961-C963 PolarHBondContact O-SG 3.32Å; C963-P971 HydrophobicContact CB-CB 4.32Å; C963-M972 CarbonylContact C-O 3.33Å; C963-M972 VanDerWaalsContact CA-O 3.28Å; C963-M972 WeakPolarHBondContact CA-O 3.07Å; C963-M972 WeakPolarHBondContact CB-O 2.8Å |
| 964 | V | 84.6 | Confident | 65.6 | Low | 56 Ų | 56 | 78.9 Ų | 78.9 | 34% | 0.339 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 140.5 | 162.4 | 62.9 | 0 | 0 | 0 | 0 | 109 | M972 L974 | V964-M972 HydrophobicContact CG1-CB 4.2Å; V964-M972 PolarHBondContact N-O 3.43Å; V964-M972 PolarHBondContact O-N 3.04Å; V964-L974 HydrophobicContact CB-CD2 4.23Å; V964-L974 HydrophobicContact CB-CG 4.42Å; V964-L974 HydrophobicContact CG1-CD2 4.43Å |
| 965 | T | 89 | Confident | 68.8 | Low | 68 Ų | 68 | 71 Ų | 71 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.1 | 178.7 | -49.8 | 0 | 0 | 0 | 0 | 110 | I944 | I944-T965 HydrophobicContact CG2-CG2 4.39Å |
| 966 | L | 91.3 | Very high | 72 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 41% | 0.409 | C | S | . | . | trans | -70.5 | 160.8 | 171.3 | -60.1 | -170.9 | 0 | 0 | 0 | 111 | N968 G969 L970 M972 F1033 S1115 H1138 S1163 | L966-N968 VanDerWaalsContact CB-OD1 3.29Å; L966-N968 WeakPolarHBondContact CB-OD1 3.35Å; L966-N968 PolarHBondContact O-N 3.39Å; L966-G969 PolarHBondContact O-N 3.37Å; L966-L970 HydrophobicContact CB-CB 4.27Å; L966-L970 WeakPolarHBondContact CB-O 3.45Å; L966-L970 HydrophobicContact CD1-CB 4.34Å; L966-L970 HydrophobicContact CD1-CD2 4.26Å; L966-L970 WeakPolarHBondContact CG-O 3.47Å; L966-L970 PolarHBondContact N-O 2.83Å; L966-M972 HydrophobicContact CD1-SD 4.49Å; L966-M972 HydrophobicContact CD2-CB 4.27Å; L966-M972 HydrophobicContact CD2-SD 3.93Å; L966-M972 HydrophobicContact CG-CB 4.2Å; L966-F1033 HydrophobicContact CD1-CE2 4.15Å; L966-F1033 HydrophobicContact CD1-CZ 3.86Å; L966-S1115 WeakPolarHBondContact CD1-OG 3.39Å; L966-H1138 HydrophobicContact CD1-CB 4.27Å; L966-S1163 WeakPolarHBondContact CD2-OG 3.03Å | ||
| 967 | H | 83.2 | Confident | 75.3 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20 | -173.9 | 75.6 | 53.8 | 0 | 0 | 0 | 114.9 | G969 K1136 P1137 H1138 | H967-G969 VanDerWaalsContact C-N 3.29Å; H967-K1136 WeakPolarHBondContact NE2-CA 3.25Å; H967-K1136 WeakPolarHBondContact NE2-CB 3.02Å; H967-K1136 PolarHBondContact NE2-O 3.17Å; H967-P1137 PolarHBondContact CD2-O 2.69Å; H967-P1137 VanDerWaalsContact CD2-O 3.29Å; H967-P1137 PolarHBondContact NE2-O 2.83Å; H967-H1138 AromaticContact CE1-CD2 3.3Å; H967-H1138 PolarHBondContact CE1-CD2 2.89Å; H967-H1138 AromaticContact CE1-CE1 3.05Å; H967-H1138 PolarHBondContact CE1-CE1 3.22Å; H967-H1138 AromaticContact CE1-CG 3.79Å; H967-H1138 AromaticContact CE1-ND1 3.64Å; H967-H1138 AromaticContact CE1-NE2 2.81Å; H967-H1138 PolarHBondContact CE1-NE2 2.83Å; H967-H1138 AromaticContact ND1-CD2 3.76Å; H967-H1138 AromaticContact ND1-NE2 3.97Å; H967-H1138 WeakPolarHBondContact NE2-CA 3.38Å; H967-H1138 AromaticContact NE2-CD2 3.75Å; H967-H1138 AromaticContact NE2-CE1 3.57Å; H967-H1138 AromaticContact NE2-CG 3.33Å; H967-H1138 VanDerWaalsContact NE2-CG 3.33Å; H967-H1138 PolarHBondContact NE2-N 3.49Å; H967-H1138 AromaticContact NE2-ND1 3.21Å; H967-H1138 PolarHBondContact NE2-ND1 3.16Å; H967-H1138 AromaticContact NE2-NE2 3.91Å |
| 968 | N | 88.1 | Confident | 78.4 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 8.2 | 174.2 | 67.8 | -18.5 | 0 | 0 | 0 | 113.4 | L966 L970 R1114 S1115 H1138 | L966-N968 VanDerWaalsContact CB-OD1 3.29Å; L966-N968 WeakPolarHBondContact CB-OD1 3.35Å; L966-N968 PolarHBondContact O-N 3.39Å; N968-L970 VanDerWaalsContact C-N 3.33Å; N968-L970 WeakPolarHBondContact OD1-CB 3.17Å; N968-L970 PolarHBondContact OD1-N 2.74Å; N968-L970 VanDerWaalsContact OD1-N 3.15Å; N968-R1114 PolarHBondContact ND2-O 3.16Å; N968-S1115 PolarHBondContact ND2-OG 3.06Å; N968-H1138 PolarHBondContact ND2-CD2 2.67Å |
| 969 | G | 86.8 | Confident | 81.3 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 46% | 0.464 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 82.7 | 0.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | L966 H967 P971 | L966-G969 PolarHBondContact O-N 3.37Å; H967-G969 VanDerWaalsContact C-N 3.29Å; G969-P971 WeakPolarHBondContact O-CD 3.49Å |
| 970 | L | 89.2 | Confident | 83.8 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | trans | -75.2 | 122.5 | -177.3 | -168.4 | 71.5 | 0 | 0 | 0 | 111 | L966 N968 F1033 D1065 R1114 S1115 | L966-L970 HydrophobicContact CB-CB 4.27Å; L966-L970 WeakPolarHBondContact CB-O 3.45Å; L966-L970 HydrophobicContact CD1-CB 4.34Å; L966-L970 HydrophobicContact CD1-CD2 4.26Å; L966-L970 WeakPolarHBondContact CG-O 3.47Å; L966-L970 PolarHBondContact N-O 2.83Å; N968-L970 VanDerWaalsContact C-N 3.33Å; N968-L970 WeakPolarHBondContact OD1-CB 3.17Å; N968-L970 PolarHBondContact OD1-N 2.74Å; N968-L970 VanDerWaalsContact OD1-N 3.15Å; L970-F1033 HydrophobicContact CD2-CD2 4.46Å; L970-F1033 HydrophobicContact CD2-CE2 3.62Å; L970-F1033 HydrophobicContact CD2-CZ 4.21Å; L970-F1033 HydrophobicContact CG-CE2 4.01Å; L970-D1065 HydrophobicContact CD2-CB 4.28Å; L970-R1114 HydrophobicContact CD2-CB 3.92Å; L970-S1115 WeakPolarHBondContact CD2-OG 3.47Å | ||
| 971 | P | 89.5 | Confident | 85.4 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.8 | 177.5 | 30.1 | -33.2 | 0 | 0 | 0 | 111.1 | C963 G969 F1033 | C963-P971 HydrophobicContact CB-CB 4.32Å; G969-P971 WeakPolarHBondContact O-CD 3.49Å; P971-F1033 WeakPolarHBondContact O-CD2 3.49Å |
| 972 | M | 93.2 | Very high | 86.6 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.1 | 177.6 | -176.5 | 175.7 | -179.2 | 0 | 0 | 109.2 | C963 V964 L966 L974 H1001 F1033 L1066 | C963-M972 CarbonylContact C-O 3.33Å; C963-M972 VanDerWaalsContact CA-O 3.28Å; C963-M972 WeakPolarHBondContact CA-O 3.07Å; C963-M972 WeakPolarHBondContact CB-O 2.8Å; V964-M972 HydrophobicContact CG1-CB 4.2Å; V964-M972 PolarHBondContact N-O 3.43Å; V964-M972 PolarHBondContact O-N 3.04Å; L966-M972 HydrophobicContact CD1-SD 4.49Å; L966-M972 HydrophobicContact CD2-CB 4.27Å; L966-M972 HydrophobicContact CD2-SD 3.93Å; L966-M972 HydrophobicContact CG-CB 4.2Å; M972-L974 PolarHBondContact O-N 3.41Å; M972-H1001 WeakPolarHBondContact CE-CE1 3.4Å; M972-F1033 HydrophobicContact CB-CD2 4.02Å; M972-F1033 HydrophobicContact CB-CE1 4.49Å; M972-F1033 HydrophobicContact CB-CE2 3.61Å; M972-F1033 HydrophobicContact CB-CZ 3.89Å; M972-F1033 HydrophobicContact CE-CE1 3.98Å; M972-F1033 HydrophobicContact CE-CZ 4.47Å; M972-F1033 HydrophobicContact CG-CD1 4.1Å; M972-F1033 HydrophobicContact CG-CD2 4.14Å; M972-F1033 HydrophobicContact CG-CE1 3.79Å; M972-F1033 HydrophobicContact CG-CE2 3.83Å; M972-F1033 HydrophobicContact CG-CG 4.27Å; M972-F1033 HydrophobicContact CG-CZ 3.66Å; M972-F1033 HydrophobicContact SD-CE1 3.94Å; M972-F1033 HydrophobicContact SD-CZ 3.82Å; M972-L1066 HydrophobicContact CE-CD2 4.01Å; M972-L1066 HydrophobicContact SD-CD2 4.28Å |
| 973 | P | 90.6 | Very high | 87 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 8% | 0.078 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 137.7 | 175.8 | -26.5 | 34 | 0 | 0 | 0 | 112.4 | V975 R1000 H1001 F1033 | P973-V975 PolarHBondContact O-N 3.43Å; P973-V975 VanDerWaalsContact O-N 3.14Å; P973-R1000 HydrophobicContact CG-CB 4.07Å; P973-H1001 HydrophobicContact CB-CB 3.88Å; P973-H1001 HydrophobicContact CG-CB 3.99Å; P973-F1033 HydrophobicContact CG-CB 4.44Å |
| 974 | L | 86.5 | Confident | 87 | Confident | 102 Ų | 102 | 46.1 Ų | 46.1 | 53% | 0.534 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -67.9 | -10 | -178.8 | -86.2 | 158.9 | 0 | 0 | 0 | 114 | K962 V964 M972 | K962-L974 HydrophobicContact CB-CD1 3.73Å; K962-L974 WeakPolarHBondContact O-CB 3.37Å; K962-L974 PolarHBondContact O-N 3.06Å; V964-L974 HydrophobicContact CB-CD2 4.23Å; V964-L974 HydrophobicContact CB-CG 4.42Å; V964-L974 HydrophobicContact CG1-CD2 4.43Å; M972-L974 PolarHBondContact O-N 3.41Å |
| 975 | V | 85.7 | Confident | 86.9 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -132.1 | 111.3 | -177.2 | -167 | 0 | 0 | 0 | 0 | 109.6 | P973 Y999 L1217 F1218 | P973-V975 PolarHBondContact O-N 3.43Å; P973-V975 VanDerWaalsContact O-N 3.14Å; V975-Y999 HydrophobicContact CG1-CD1 4.43Å; V975-Y999 HydrophobicContact CG1-CE1 3.63Å; V975-L1217 HydrophobicContact CG2-CD2 3.58Å; V975-L1217 HydrophobicContact CG2-CG 4.5Å; V975-F1218 HydrophobicContact CG2-CE1 4.48Å; V975-F1218 HydrophobicContact CG2-CE2 4.11Å; V975-F1218 HydrophobicContact CG2-CZ 3.67Å |
| 976 | G | 88.6 | Confident | 86.5 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 146.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1001 | G976-H1001 WeakPolarHBondContact CA-ND1 3.37Å; G976-H1001 WeakPolarHBondContact CA-O 3.35Å |
| 977 | Y | 89.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 100.8 | 166.4 | -172.5 | -99.1 | 0 | 0 | 0 | 109.3 | T979 L987 G990 L991 A994 H1001 D1003 I1211 | Y977-T979 HydrophobicContact CD1-CG2 3.95Å; Y977-T979 HydrophobicContact CE1-CG2 4.06Å; Y977-L987 HydrophobicContact CE1-CD1 4.19Å; Y977-G990 WeakPolarHBondContact OH-CA 3.39Å; Y977-L991 HydrophobicContact CD1-CD1 3.88Å; Y977-L991 HydrophobicContact CE1-CB 4.09Å; Y977-L991 HydrophobicContact CE1-CD1 4.24Å; Y977-A994 HydrophobicContact CD2-CB 3.59Å; Y977-A994 HydrophobicContact CE2-CB 4.03Å; Y977-A994 HydrophobicContact CG-CB 3.86Å; Y977-H1001 PolarHBondContact N-O 3.42Å; Y977-D1003 PolarHBondContact O-N 2.86Å; Y977-I1211 HydrophobicContact CE2-CD1 3.66Å; Y977-I1211 HydrophobicContact CE2-CG1 4.1Å |
| 978 | G | 89 | Confident | 86.7 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 136.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 979 | T | 90.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | trans | -110 | 4.9 | -172.9 | 61 | 0 | 0 | 0 | 0 | 114.7 | Y977 G982 L987 I1002 D1003 T1004 N1010 I1014 | Y977-T979 HydrophobicContact CD1-CG2 3.95Å; Y977-T979 HydrophobicContact CE1-CG2 4.06Å; T979-G982 PolarHBondContact O-N 3.15Å; T979-L987 HydrophobicContact CG2-CD1 3.88Å; T979-I1002 HydrophobicContact CG2-CG2 4.26Å; T979-D1003 WeakPolarHBondContact CB-O 3.45Å; T979-D1003 PolarHBondContact N-O 3Å; T979-D1003 PolarHBondContact OG1-O 3.38Å; T979-T1004 VanDerWaalsContact OG1-CA 3.29Å; T979-T1004 WeakPolarHBondContact OG1-CA 3.33Å; T979-T1004 WeakPolarHBondContact OG1-CB 3.22Å; T979-T1004 PolarHBondContact OG1-OG1 2.94Å; T979-N1010 PolarHBondContact O-ND2 3.27Å; T979-I1014 HydrophobicContact CG2-CD1 3.78Å; T979-I1014 HydrophobicContact CG2-CG1 4.36Å | ||
| 980 | W | 84.8 | Confident | 86.6 | Confident | 109 Ų | 109 | 46.7 Ų | 46.7 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 138.2 | 173.3 | 178.4 | 78.6 | 0 | 0 | 0 | 111.5 | G982 Y1008 R1175 | W980-G982 PolarHBondContact O-N 2.91Å; W980-Y1008 HydrophobicContact CB-CD2 4.32Å; W980-Y1008 HydrophobicContact CB-CE1 4.24Å; W980-Y1008 HydrophobicContact CB-CE2 4Å; W980-Y1008 AromaticContact CD1-CD1 3.84Å; W980-Y1008 AromaticContact CD1-CE1 3.6Å; W980-Y1008 HydrophobicContact CG-CE1 4.31Å; W980-R1175 HydrophobicContact CH2-CG 4.28Å |
| 981 | Q | 78 | Confident | 86.8 | Confident | 116 Ų | 116 | 46.1 Ų | 46.1 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -5.7 | -168.6 | -69.9 | -173.7 | -21.6 | 0 | 0 | 116.6 | Q983 | Q981-Q983 PolarHBondContact O-N 3.21Š|
| 982 | G | 81.5 | Confident | 86.8 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -68.7 | 119.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | T979 W980 N1010 | T979-G982 PolarHBondContact O-N 3.15Å; W980-G982 PolarHBondContact O-N 2.91Å; G982-N1010 PolarHBondContact O-ND2 2.74Å | ||
| 983 | Q | 82.5 | Confident | 86.5 | Confident | 94 Ų | 94 | 49.6 Ų | 49.6 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | trans | -139.7 | 156.8 | 178.1 | -81.6 | -65.4 | -8 | 0 | 0 | 111.6 | Q981 L987 Y1008 E1009 | Q981-Q983 PolarHBondContact O-N 3.21Å; Q983-L987 PolarHBondContact O-N 3.45Å; Q983-Y1008 PolarHBondContact NE2-O 2.71Å; Q983-E1009 PolarHBondContact NE2-O 2.63Å | ||
| 984 | G | 86.4 | Confident | 86.4 | Confident | 29 Ų | 29 | 49 Ų | 49 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | 53.8 | -145.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | A986 L987 R988 | G984-A986 VanDerWaalsContact C-N 3.29Å; G984-A986 PolarHBondContact O-N 3.4Å; G984-L987 PolarHBondContact O-N 2.92Å; G984-R988 PolarHBondContact O-N 2.91Å |
| 985 | D | 81.6 | Confident | 86.6 | Confident | 111 Ų | 111 | 44.3 Ų | 44.3 | 59% | 0.594 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -73.5 | -17.9 | -173.3 | -61.7 | -41.9 | 0 | 0 | 0 | 114.2 | R988 S989 | D985-R988 PolarHBondContact O-N 2.86Å; D985-R988 WeakPolarHBondContact OD1-CD 3.48Å; D985-R988 IonicContact OD1-CZ 2.71Å; D985-R988 IonicContact OD1-NE 3.23Å; D985-R988 IonicContact OD1-NH1 3.58Å; D985-R988 PolarHBondContact OD1-NH1 3.42Å; D985-S989 WeakPolarHBondContact O-CB 3.38Å; D985-S989 PolarHBondContact O-N 3.15Å; D985-S989 PolarHBondContact O-OG 2.82Å |
| 986 | A | 80.3 | Confident | 86.6 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 54% | 0.537 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G984 S989 G990 | G984-A986 VanDerWaalsContact C-N 3.29Å; G984-A986 PolarHBondContact O-N 3.4Å; A986-S989 PolarHBondContact O-OG 3.06Å; A986-G990 PolarHBondContact O-N 2.85Å |
| 987 | L | 89.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 171.5 | 176.7 | 60.9 | 0 | 0 | 0 | 111.4 | Y977 T979 Q983 G984 S989 L991 N1010 I1013 I1014 | Y977-L987 HydrophobicContact CE1-CD1 4.19Å; T979-L987 HydrophobicContact CG2-CD1 3.88Å; Q983-L987 PolarHBondContact O-N 3.45Å; G984-L987 PolarHBondContact O-N 2.92Å; L987-S989 PolarHBondContact O-N 3.17Å; L987-L991 VanDerWaalsContact O-CB 3.23Å; L987-L991 WeakPolarHBondContact O-CB 3.37Å; L987-L991 PolarHBondContact O-N 3.09Å; L987-N1010 HydrophobicContact CD2-CB 3.68Å; L987-I1013 HydrophobicContact CD2-CB 4.12Å; L987-I1013 HydrophobicContact CD2-CG2 3.96Å; L987-I1013 HydrophobicContact CG-CG2 4.19Å; L987-I1014 HydrophobicContact CD2-CG1 4.15Å |
| 988 | R | 89.6 | Confident | 86.3 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 179.3 | -66.7 | -170.8 | 178 | 113 | -3.3 | 112.5 | G984 D985 K992 I1013 E1016 V1017 | G984-R988 PolarHBondContact O-N 2.91Å; D985-R988 PolarHBondContact O-N 2.86Å; D985-R988 WeakPolarHBondContact OD1-CD 3.48Å; D985-R988 IonicContact OD1-CZ 2.71Å; D985-R988 IonicContact OD1-NE 3.23Å; D985-R988 IonicContact OD1-NH1 3.58Å; D985-R988 PolarHBondContact OD1-NH1 3.42Å; R988-K992 WeakPolarHBondContact O-CB 3.46Å; R988-K992 VanDerWaalsContact O-CG 3.26Å; R988-K992 WeakPolarHBondContact O-CG 3.49Å; R988-K992 PolarHBondContact O-N 3.22Å; R988-K992 VanDerWaalsContact O-N 3.12Å; R988-I1013 HydrophobicContact CG-CG2 3.41Å; R988-I1013 VanDerWaalsContact CG-CG2 3.41Å; R988-E1016 IonicContact CZ-OE2 3.55Å; R988-E1016 IonicContact NE-OE2 2.71Å; R988-E1016 PolarHBondContact NE-OE2 2.68Å; R988-E1016 VanDerWaalsContact NE-OE2 3.11Å; R988-E1016 IonicContact NH2-OE1 3.71Å; R988-E1016 IonicContact NH2-OE2 3.86Å; R988-E1016 PolarHBondContact NH2-OE2 3.42Å; R988-V1017 HydrophobicContact CB-CG2 4.13Å; R988-V1017 HydrophobicContact CG-CG2 4.05Å |
| 989 | S | 86.9 | Confident | 86.3 | Confident | 55 Ų | 55 | 48.3 Ų | 48.3 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.6 | -43.4 | 179.5 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | D985 A986 L987 K992 K993 | D985-S989 WeakPolarHBondContact O-CB 3.38Å; D985-S989 PolarHBondContact O-N 3.15Å; D985-S989 PolarHBondContact O-OG 2.82Å; A986-S989 PolarHBondContact O-OG 3.06Å; L987-S989 PolarHBondContact O-N 3.17Å; S989-K992 PolarHBondContact O-N 3.24Å; S989-K993 PolarHBondContact O-N 3.29Å |
| 990 | G | 86.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y977 A986 K992 K993 A994 I1211 | Y977-G990 WeakPolarHBondContact OH-CA 3.39Å; A986-G990 PolarHBondContact O-N 2.85Å; G990-K992 PolarHBondContact O-N 2.68Å; G990-K993 PolarHBondContact O-N 3.48Å; G990-A994 WeakPolarHBondContact O-CB 3.4Å; G990-A994 PolarHBondContact O-N 3.22Å; G990-I1211 WeakPolarHBondContact O-CD1 3.12Å |
| 991 | L | 91.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 179 | -179.8 | 58.8 | 0 | 0 | 0 | 112.3 | Y977 L987 K993 A994 L995 I1002 I1014 V1017 | Y977-L991 HydrophobicContact CD1-CD1 3.88Å; Y977-L991 HydrophobicContact CE1-CB 4.09Å; Y977-L991 HydrophobicContact CE1-CD1 4.24Å; L987-L991 VanDerWaalsContact O-CB 3.23Å; L987-L991 WeakPolarHBondContact O-CB 3.37Å; L987-L991 PolarHBondContact O-N 3.09Å; L991-K993 VanDerWaalsContact C-N 3.33Å; L991-K993 PolarHBondContact O-N 3.48Å; L991-A994 PolarHBondContact O-N 3.32Å; L991-L995 HydrophobicContact CD1-CD1 4.38Å; L991-L995 HydrophobicContact CD1-CG 4.42Å; L991-L995 HydrophobicContact CG-CD1 4.28Å; L991-L995 WeakPolarHBondContact O-CG 3.27Å; L991-L995 PolarHBondContact O-N 3.33Å; L991-I1002 HydrophobicContact CD1-CD1 3.85Å; L991-I1002 HydrophobicContact CD1-CG1 4.04Å; L991-I1014 HydrophobicContact CD2-CB 4.23Å; L991-I1014 HydrophobicContact CD2-CG1 4.23Å; L991-I1014 HydrophobicContact CD2-CG2 3.95Å; L991-V1017 HydrophobicContact CB-CG1 4.23Å; L991-V1017 HydrophobicContact CD2-CB 3.85Å; L991-V1017 HydrophobicContact CD2-CG1 3.79Å; L991-V1017 HydrophobicContact CD2-CG2 4.47Å; L991-V1017 HydrophobicContact CG-CB 4.39Å; L991-V1017 HydrophobicContact CG-CG1 3.76Å |
| 992 | K | 90.3 | Very high | 87.7 | Confident | 98 Ų | 98 | 41 Ų | 41 | 43% | 0.426 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 172.1 | -78.2 | -178.7 | 178 | -172.7 | 0 | 111.5 | R988 S989 G990 L995 E996 V1017 Q1020 | R988-K992 WeakPolarHBondContact O-CB 3.46Å; R988-K992 VanDerWaalsContact O-CG 3.26Å; R988-K992 WeakPolarHBondContact O-CG 3.49Å; R988-K992 PolarHBondContact O-N 3.22Å; R988-K992 VanDerWaalsContact O-N 3.12Å; S989-K992 PolarHBondContact O-N 3.24Å; G990-K992 PolarHBondContact O-N 2.68Å; K992-L995 PolarHBondContact O-N 2.96Å; K992-E996 WeakPolarHBondContact O-CB 3.32Å; K992-E996 PolarHBondContact O-N 2.91Å; K992-E996 VanDerWaalsContact O-N 3.09Å; K992-V1017 HydrophobicContact CG-CG1 3.65Å; K992-Q1020 VanDerWaalsContact CE-OE1 3.25Å |
| 993 | K | 87.3 | Confident | 88.4 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 24% | 0.239 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.3 | -39.1 | 177.8 | -169.2 | 54.3 | 164.8 | -175.3 | 0 | 112.4 | S989 G990 L991 L995 E996 V997 P1208 | S989-K993 PolarHBondContact O-N 3.29Å; G990-K993 PolarHBondContact O-N 3.48Å; L991-K993 VanDerWaalsContact C-N 3.33Å; L991-K993 PolarHBondContact O-N 3.48Å; K993-L995 PolarHBondContact O-N 3.1Å; K993-E996 HydrophobicContact CD-CB 4.31Å; K993-E996 WeakPolarHBondContact CD-OE2 3.05Å; K993-E996 IonicContact NZ-OE1 3.18Å; K993-E996 PolarHBondContact NZ-OE1 2.89Å; K993-E996 IonicContact NZ-OE2 2.81Å; K993-E996 PolarHBondContact NZ-OE2 3.03Å; K993-E996 WeakPolarHBondContact O-CB 3.45Å; K993-E996 PolarHBondContact O-N 2.77Å; K993-E996 VanDerWaalsContact O-N 3.17Å; K993-V997 WeakPolarHBondContact O-CG2 3.12Å; K993-V997 PolarHBondContact O-N 3.37Å; K993-P1208 HydrophobicContact CB-CB 4.17Å; K993-P1208 HydrophobicContact CG-CB 4.04Å |
| 994 | A | 87.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y977 G990 L991 E996 V997 G998 Y999 I1211 | Y977-A994 HydrophobicContact CD2-CB 3.59Å; Y977-A994 HydrophobicContact CE2-CB 4.03Å; Y977-A994 HydrophobicContact CG-CB 3.86Å; G990-A994 WeakPolarHBondContact O-CB 3.4Å; G990-A994 PolarHBondContact O-N 3.22Å; L991-A994 PolarHBondContact O-N 3.32Å; A994-E996 VanDerWaalsContact C-N 3.29Å; A994-E996 PolarHBondContact O-N 3.43Å; A994-V997 PolarHBondContact O-N 3.42Å; A994-G998 PolarHBondContact O-N 3.16Å; A994-G998 VanDerWaalsContact O-N 3.16Å; A994-Y999 HydrophobicContact CB-CD2 3.94Å; A994-Y999 HydrophobicContact CB-CG 3.97Å; A994-Y999 WeakPolarHBondContact O-CB 3.46Å; A994-Y999 PolarHBondContact O-N 2.85Å; A994-I1211 HydrophobicContact CB-CG2 3.84Å |
| 995 | L | 90.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -37.2 | 175.4 | -68.8 | 164.8 | 0 | 0 | 0 | 112.3 | L991 K992 K993 R1000 I1002 V1017 L1018 W1021 L1032 | L991-L995 HydrophobicContact CD1-CD1 4.38Å; L991-L995 HydrophobicContact CD1-CG 4.42Å; L991-L995 HydrophobicContact CG-CD1 4.28Å; L991-L995 WeakPolarHBondContact O-CG 3.27Å; L991-L995 PolarHBondContact O-N 3.33Å; K992-L995 PolarHBondContact O-N 2.96Å; K993-L995 PolarHBondContact O-N 3.1Å; L995-R1000 PolarHBondContact O-NH1 3.29Å; L995-I1002 HydrophobicContact CD2-CD1 4.47Å; L995-V1017 HydrophobicContact CD1-CG1 4.15Å; L995-L1018 HydrophobicContact CD1-CD2 4.11Å; L995-L1018 HydrophobicContact CD2-CD2 4.49Å; L995-W1021 HydrophobicContact CB-CG 4.49Å; L995-W1021 HydrophobicContact CD1-CB 4.09Å; L995-W1021 HydrophobicContact CD1-CD2 4.22Å; L995-W1021 HydrophobicContact CD1-CG 3.9Å; L995-W1021 HydrophobicContact CD2-CD2 4.16Å; L995-W1021 HydrophobicContact CD2-CE3 4.32Å; L995-W1021 HydrophobicContact CD2-CZ2 4.35Å; L995-L1032 HydrophobicContact CD2-CD1 4.41Å; L995-L1032 HydrophobicContact CD2-CD2 3.76Å |
| 996 | E | 86.7 | Confident | 90 | Very high | 133 Ų | 133 | 30.4 Ų | 30.4 | 62% | 0.621 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -65.6 | -48.4 | 176.9 | -165.8 | -150.9 | 126 | 0 | 0 | 112.8 | K992 K993 A994 G998 | K992-E996 WeakPolarHBondContact O-CB 3.32Å; K992-E996 PolarHBondContact O-N 2.91Å; K992-E996 VanDerWaalsContact O-N 3.09Å; K993-E996 HydrophobicContact CD-CB 4.31Å; K993-E996 WeakPolarHBondContact CD-OE2 3.05Å; K993-E996 IonicContact NZ-OE1 3.18Å; K993-E996 PolarHBondContact NZ-OE1 2.89Å; K993-E996 IonicContact NZ-OE2 2.81Å; K993-E996 PolarHBondContact NZ-OE2 3.03Å; K993-E996 WeakPolarHBondContact O-CB 3.45Å; K993-E996 PolarHBondContact O-N 2.77Å; K993-E996 VanDerWaalsContact O-N 3.17Å; A994-E996 VanDerWaalsContact C-N 3.29Å; A994-E996 PolarHBondContact O-N 3.43Å; E996-G998 VanDerWaalsContact C-N 3.3Å; E996-G998 PolarHBondContact O-N 3.31Å |
| 997 | V | 84.3 | Confident | 90.4 | Very high | 40 Ų | 40 | 30.4 Ų | 30.4 | 24% | 0.242 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -78.8 | -7.7 | 179.9 | -70.2 | 0 | 0 | 0 | 0 | 114.7 | K993 A994 Y999 I1211 A1212 F1215 | K993-V997 WeakPolarHBondContact O-CG2 3.12Å; K993-V997 PolarHBondContact O-N 3.37Å; A994-V997 PolarHBondContact O-N 3.42Å; V997-Y999 HydrophobicContact CG2-CD2 4.11Å; V997-Y999 HydrophobicContact CG2-CE2 4.32Å; V997-I1211 HydrophobicContact CG2-CG2 4Å; V997-A1212 HydrophobicContact CG1-CB 4.06Å; V997-F1215 WeakPolarHBondContact O-CD1 3.31Å; V997-F1215 VanDerWaalsContact O-CE1 3.29Å; V997-F1215 WeakPolarHBondContact O-CE1 3.27Å |
| 998 | G | 86.9 | Confident | 90.5 | Very high | 13 Ų | 13 | 32 Ų | 32 | 13% | 0.134 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 118.8 | 8.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | A994 E996 R1000 F1215 | A994-G998 PolarHBondContact O-N 3.16Å; A994-G998 VanDerWaalsContact O-N 3.16Å; E996-G998 VanDerWaalsContact C-N 3.3Å; E996-G998 PolarHBondContact O-N 3.31Å; G998-R1000 PolarHBondContact O-N 3.14Å; G998-F1215 VanDerWaalsContact C-CE2 3.44Å; G998-F1215 VanDerWaalsContact C-CZ 3.48Å; G998-F1215 WeakPolarHBondContact O-CE2 3.24Å; G998-F1215 WeakPolarHBondContact O-CZ 3.14Å |
| 999 | Y | 89.2 | Confident | 90.5 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | trans | -61.2 | 132.1 | 169.8 | -78 | -106.1 | 0 | 0 | 0 | 110.2 | V975 A994 V997 I1211 N1214 F1215 | V975-Y999 HydrophobicContact CG1-CD1 4.43Å; V975-Y999 HydrophobicContact CG1-CE1 3.63Å; A994-Y999 HydrophobicContact CB-CD2 3.94Å; A994-Y999 HydrophobicContact CB-CG 3.97Å; A994-Y999 WeakPolarHBondContact O-CB 3.46Å; A994-Y999 PolarHBondContact O-N 2.85Å; V997-Y999 HydrophobicContact CG2-CD2 4.11Å; V997-Y999 HydrophobicContact CG2-CE2 4.32Å; Y999-I1211 HydrophobicContact CD2-CG2 4.17Å; Y999-I1211 HydrophobicContact CE2-CG2 3.76Å; Y999-N1214 WeakPolarHBondContact OH-CB 3.11Å; Y999-F1215 AromaticContact CD2-CD2 3.75Å; Y999-F1215 HydrophobicContact CD2-CD2 3.75Å; Y999-F1215 HydrophobicContact CD2-CE2 4.28Å; Y999-F1215 HydrophobicContact CE2-CB 4.16Å; Y999-F1215 AromaticContact CE2-CD2 3.72Å; Y999-F1215 HydrophobicContact CE2-CD2 3.72Å; Y999-F1215 HydrophobicContact CE2-CG 4.36Å; Y999-F1215 HydrophobicContact CG-CD2 4.37Å | ||
| 1000 | R | 92.9 | Very high | 90.8 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 24% | 0.238 | 15% | 0.146 | C | C | . | . | trans | -124.1 | -15.4 | 175 | -62.5 | -62.1 | 175.5 | -100.6 | 6.1 | 113.7 | P973 L995 G998 D1031 L1032 F1033 | P973-R1000 HydrophobicContact CG-CB 4.07Å; L995-R1000 PolarHBondContact O-NH1 3.29Å; G998-R1000 PolarHBondContact O-N 3.14Å; R1000-D1031 WeakPolarHBondContact CD-O 3.32Å; R1000-L1032 HydrophobicContact CB-CD2 4.33Å; R1000-L1032 WeakPolarHBondContact O-CA 3.26Å; R1000-F1033 PolarHBondContact O-N 3.39Å | ||
| 1001 | H | 94.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.4 | 167.7 | 174.5 | -147.4 | 0 | 0 | 0 | 110.6 | M972 P973 G976 Y977 F1033 T1035 | M972-H1001 WeakPolarHBondContact CE-CE1 3.4Å; P973-H1001 HydrophobicContact CB-CB 3.88Å; P973-H1001 HydrophobicContact CG-CB 3.99Å; G976-H1001 WeakPolarHBondContact CA-ND1 3.37Å; G976-H1001 WeakPolarHBondContact CA-O 3.35Å; Y977-H1001 PolarHBondContact N-O 3.42Å; H1001-F1033 CarbonylContact C-O 3.6Å; H1001-F1033 VanDerWaalsContact CA-O 3.31Å; H1001-F1033 WeakPolarHBondContact CA-O 3.43Å; H1001-F1033 HydrophobicContact CB-CB 4.35Å; H1001-F1033 AromaticContact CD2-CD1 3.56Å; H1001-F1033 PolarHBondContact CD2-O 3.4Å; H1001-T1035 PolarHBondContact NE2-OG1 2.62Å |
| 1002 | I | 95 | Very high | 91.4 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.9 | 173.7 | -60.8 | 163.4 | 0 | 0 | 0 | 108.3 | T979 L991 L995 I1014 L1018 L1032 F1033 T1035 | T979-I1002 HydrophobicContact CG2-CG2 4.26Å; L991-I1002 HydrophobicContact CD1-CD1 3.85Å; L991-I1002 HydrophobicContact CD1-CG1 4.04Å; L995-I1002 HydrophobicContact CD2-CD1 4.47Å; I1002-I1014 HydrophobicContact CG2-CG2 4.32Å; I1002-L1018 HydrophobicContact CD1-CD1 4.27Å; I1002-L1018 HydrophobicContact CD1-CD2 3.67Å; I1002-L1018 HydrophobicContact CD1-CG 4.41Å; I1002-L1032 HydrophobicContact CD1-CD1 4.44Å; I1002-F1033 PolarHBondContact N-O 2.94Å; I1002-T1035 PolarHBondContact O-N 3.45Å |
| 1003 | D | 95.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.8 | 176.2 | -179.7 | -84.9 | 0 | 0 | 0 | 111.2 | Y977 T979 T1035 K1037 Q1141 | Y977-D1003 PolarHBondContact O-N 2.86Å; T979-D1003 WeakPolarHBondContact CB-O 3.45Å; T979-D1003 PolarHBondContact N-O 3Å; T979-D1003 PolarHBondContact OG1-O 3.38Å; D1003-T1035 WeakPolarHBondContact OD2-CG2 3.42Å; D1003-K1037 IonicContact OD1-NZ 3.29Å; D1003-K1037 PolarHBondContact OD1-NZ 3.17Å; D1003-K1037 IonicContact OD2-NZ 3.76Å; D1003-K1037 PolarHBondContact OD2-NZ 2.95Å; D1003-Q1141 PolarHBondContact OD2-NE2 3.24Å; D1003-Q1141 PolarHBondContact OD2-OE1 2.82Å |
| 1004 | T | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -138.1 | -173 | 174.7 | -169 | 0 | 0 | 0 | 0 | 110.7 | T979 Y1008 N1010 E1011 I1014 T1035 T1036 K1037 L1059 | T979-T1004 VanDerWaalsContact OG1-CA 3.29Å; T979-T1004 WeakPolarHBondContact OG1-CA 3.33Å; T979-T1004 WeakPolarHBondContact OG1-CB 3.22Å; T979-T1004 PolarHBondContact OG1-OG1 2.94Å; T1004-Y1008 VanDerWaalsContact C-CE2 3.48Å; T1004-N1010 PolarHBondContact OG1-OD1 2.97Å; T1004-N1010 VanDerWaalsContact OG1-OD1 3.12Å; T1004-E1011 HydrophobicContact CG2-CG 4.14Å; T1004-I1014 HydrophobicContact CG2-CD1 3.98Å; T1004-I1014 WeakPolarHBondContact OG1-CD1 3.5Å; T1004-T1035 WeakPolarHBondContact CG2-O 3.48Å; T1004-T1035 PolarHBondContact N-O 3.1Å; T1004-T1036 WeakPolarHBondContact O-CA 3.35Å; T1004-K1037 WeakPolarHBondContact O-CG 3.42Å; T1004-K1037 PolarHBondContact O-NZ 2.87Å; T1004-L1059 HydrophobicContact CG2-CD2 4.17Å | ||
| 1005 | A | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -159.5 | 152.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1007 Y1008 T1036 K1037 | A1005-V1007 HydrophobicContact CB-CG2 4.21Å; A1005-V1007 PolarHBondContact O-N 3.14Å; A1005-V1007 VanDerWaalsContact O-N 3.09Å; A1005-Y1008 HydrophobicContact CB-CD1 3.91Å; A1005-Y1008 HydrophobicContact CB-CD2 3.96Å; A1005-Y1008 HydrophobicContact CB-CE1 3.73Å; A1005-Y1008 HydrophobicContact CB-CE2 3.79Å; A1005-Y1008 HydrophobicContact CB-CG 3.99Å; A1005-Y1008 VanDerWaalsContact N-CD2 3.29Å; A1005-Y1008 WeakPolarHBondContact O-CB 3.42Å; A1005-Y1008 PolarHBondContact O-N 2.93Å; A1005-T1036 WeakPolarHBondContact CA-OG1 3.42Å; A1005-K1037 HydrophobicContact CB-CB 3.81Å; A1005-K1037 HydrophobicContact CB-CD 3.99Å; A1005-K1037 HydrophobicContact CB-CG 3.83Å | ||
| 1006 | Y | 92.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -46.3 | -43.1 | 172.3 | 177.9 | -79.5 | 0 | 0 | 0 | 113.1 | Y1008 E1009 P1039 H1041 E1054 R1058 K1081 | Y1006-Y1008 VanDerWaalsContact C-N 3.28Å; Y1006-Y1008 PolarHBondContact O-N 3.34Å; Y1006-E1009 PolarHBondContact O-N 3.44Å; Y1006-P1039 HydrophobicContact CD1-CB 3.83Å; Y1006-P1039 HydrophobicContact CD1-CG 3.7Å; Y1006-P1039 HydrophobicContact CE1-CB 4.47Å; Y1006-P1039 HydrophobicContact CE1-CG 4.2Å; Y1006-P1039 HydrophobicContact CG-CB 4.39Å; Y1006-P1039 HydrophobicContact CG-CG 3.97Å; Y1006-H1041 AromaticContact CE1-CE1 3.98Å; Y1006-E1054 HydrophobicContact CE2-CB 4.43Å; Y1006-R1058 PolarHBondContact OH-NH2 3.2Å; Y1006-K1081 WeakPolarHBondContact CE1-O 3.36Å; Y1006-K1081 PolarHBondContact OH-O 2.82Å |
| 1007 | V | 88.5 | Confident | 93 | Very high | 65 Ų | 65 | 24.1 Ų | 24.1 | 39% | 0.394 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -77.6 | -1.9 | -177.7 | -55.4 | 0 | 0 | 0 | 0 | 114.9 | A1005 E1009 P1039 H1070 | A1005-V1007 HydrophobicContact CB-CG2 4.21Å; A1005-V1007 PolarHBondContact O-N 3.14Å; A1005-V1007 VanDerWaalsContact O-N 3.09Å; V1007-E1009 VanDerWaalsContact C-N 3.3Å; V1007-P1039 HydrophobicContact CG1-CB 3.62Å; V1007-H1070 WeakPolarHBondContact CG2-CE1 3.38Å |
| 1008 | Y | 92 | Very high | 93.6 | Very high | 36 Ų | 36 | 22.2 Ų | 22.2 | 14% | 0.141 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -83.7 | -12.6 | 172.1 | -57.9 | -11.9 | 0 | 0 | 0 | 111.7 | W980 Q983 T1004 A1005 Y1006 N1010 K1037 H1070 | W980-Y1008 HydrophobicContact CB-CD2 4.32Å; W980-Y1008 HydrophobicContact CB-CE1 4.24Å; W980-Y1008 HydrophobicContact CB-CE2 4Å; W980-Y1008 AromaticContact CD1-CD1 3.84Å; W980-Y1008 AromaticContact CD1-CE1 3.6Å; W980-Y1008 HydrophobicContact CG-CE1 4.31Å; Q983-Y1008 PolarHBondContact NE2-O 2.71Å; T1004-Y1008 VanDerWaalsContact C-CE2 3.48Å; A1005-Y1008 HydrophobicContact CB-CD1 3.91Å; A1005-Y1008 HydrophobicContact CB-CD2 3.96Å; A1005-Y1008 HydrophobicContact CB-CE1 3.73Å; A1005-Y1008 HydrophobicContact CB-CE2 3.79Å; A1005-Y1008 HydrophobicContact CB-CG 3.99Å; A1005-Y1008 VanDerWaalsContact N-CD2 3.29Å; A1005-Y1008 WeakPolarHBondContact O-CB 3.42Å; A1005-Y1008 PolarHBondContact O-N 2.93Å; Y1006-Y1008 VanDerWaalsContact C-N 3.28Å; Y1006-Y1008 PolarHBondContact O-N 3.34Å; Y1008-N1010 PolarHBondContact O-N 3.4Å; Y1008-N1010 VanDerWaalsContact O-N 3.15Å; Y1008-K1037 PolarHBondContact OH-NZ 3.03Å; Y1008-K1037 VanDerWaalsContact OH-NZ 3.14Å; Y1008-H1070 AromaticContact CE1-CE1 3.75Å |
| 1009 | E | 89.1 | Confident | 93.9 | Very high | 91 Ų | 91 | 25.5 Ų | 25.5 | 43% | 0.425 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 51 | 38.8 | 174.7 | -59.2 | -173.6 | -178.6 | 0 | 0 | 113.1 | Q983 Y1006 V1007 R1082 | Q983-E1009 PolarHBondContact NE2-O 2.63Å; Y1006-E1009 PolarHBondContact O-N 3.44Å; V1007-E1009 VanDerWaalsContact C-N 3.3Å; E1009-R1082 IonicContact OE1-CZ 3.66Å; E1009-R1082 VanDerWaalsContact OE1-CZ 3.27Å; E1009-R1082 IonicContact OE1-NE 3.85Å; E1009-R1082 PolarHBondContact OE1-NE 2.85Å; E1009-R1082 IonicContact OE1-NH2 2.6Å; E1009-R1082 PolarHBondContact OE1-NH2 3.46Å; E1009-R1082 IonicContact OE2-CZ 3.56Å; E1009-R1082 IonicContact OE2-NH2 3.42Å; E1009-R1082 PolarHBondContact OE2-NH2 2.67Å |
| 1010 | N | 93.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | trans | -135.4 | 4.4 | -178.9 | 65.3 | 11.2 | 0 | 0 | 0 | 114.1 | T979 G982 L987 T1004 Y1008 D1012 I1013 I1014 | T979-N1010 PolarHBondContact O-ND2 3.27Å; G982-N1010 PolarHBondContact O-ND2 2.74Å; L987-N1010 HydrophobicContact CD2-CB 3.68Å; T1004-N1010 PolarHBondContact OG1-OD1 2.97Å; T1004-N1010 VanDerWaalsContact OG1-OD1 3.12Å; Y1008-N1010 PolarHBondContact O-N 3.4Å; Y1008-N1010 VanDerWaalsContact O-N 3.15Å; N1010-D1012 PolarHBondContact O-N 3.22Å; N1010-I1013 WeakPolarHBondContact O-CB 3.46Å; N1010-I1013 PolarHBondContact O-N 2.85Å; N1010-I1014 PolarHBondContact O-N 3.37Å; N1010-I1014 VanDerWaalsContact O-N 3.17Å | ||
| 1011 | E | 97 | Very high | 94.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.2 | -35.7 | -178.8 | -68.6 | -173.8 | 128 | 0 | 0 | 112.6 | T1004 I1013 I1014 G1015 T1036 S1055 R1058 L1059 | T1004-E1011 HydrophobicContact CG2-CG 4.14Å; E1011-I1013 PolarHBondContact O-N 2.95Å; E1011-I1014 PolarHBondContact O-N 3.43Å; E1011-G1015 PolarHBondContact O-N 3.41Å; E1011-T1036 WeakPolarHBondContact OE1-CB 3.19Å; E1011-T1036 PolarHBondContact OE1-OG1 2.94Å; E1011-S1055 VanDerWaalsContact CD-OG 3.32Å; E1011-S1055 WeakPolarHBondContact OE1-CB 3.43Å; E1011-S1055 PolarHBondContact OE1-OG 3.16Å; E1011-S1055 VanDerWaalsContact OE1-OG 3.1Å; E1011-S1055 WeakPolarHBondContact OE2-CA 3.47Å; E1011-S1055 WeakPolarHBondContact OE2-CB 3.44Å; E1011-S1055 PolarHBondContact OE2-OG 2.95Å; E1011-R1058 HydrophobicContact CB-CB 3.59Å; E1011-R1058 IonicContact OE2-NH1 3.75Å; E1011-L1059 HydrophobicContact CB-CD2 3.9Å; E1011-L1059 HydrophobicContact CB-CG 4.03Å; E1011-L1059 HydrophobicContact CG-CD2 4.14Å; E1011-L1059 HydrophobicContact CG-CG 4.3Å |
| 1012 | D | 94 | Very high | 94 | Very high | 70 Ų | 70 | 29.3 Ų | 29.3 | 37% | 0.374 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.5 | -38.6 | 176.4 | -61.6 | -88.2 | 0 | 0 | 0 | 113.6 | N1010 G1015 E1016 R1058 | N1010-D1012 PolarHBondContact O-N 3.22Å; D1012-G1015 PolarHBondContact O-N 3.2Å; D1012-E1016 WeakPolarHBondContact O-CG 3.48Å; D1012-E1016 PolarHBondContact O-N 3.21Å; D1012-R1058 WeakPolarHBondContact CA-O 3.14Å; D1012-R1058 WeakPolarHBondContact OD2-CD 3.39Å; D1012-R1058 WeakPolarHBondContact OD2-CG 3.35Å |
| 1013 | I | 93.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.4 | -38.8 | 178.1 | -59.9 | 177.1 | 0 | 0 | 0 | 109.9 | L987 R988 N1010 E1011 E1016 V1017 | L987-I1013 HydrophobicContact CD2-CB 4.12Å; L987-I1013 HydrophobicContact CD2-CG2 3.96Å; L987-I1013 HydrophobicContact CG-CG2 4.19Å; R988-I1013 HydrophobicContact CG-CG2 3.41Å; R988-I1013 VanDerWaalsContact CG-CG2 3.41Å; N1010-I1013 WeakPolarHBondContact O-CB 3.46Å; N1010-I1013 PolarHBondContact O-N 2.85Å; E1011-I1013 PolarHBondContact O-N 2.95Å; I1013-E1016 PolarHBondContact O-N 3.06Å; I1013-V1017 WeakPolarHBondContact O-CG2 3.4Å; I1013-V1017 PolarHBondContact O-N 3.04Å; I1013-V1017 VanDerWaalsContact O-N 3.15Å |
| 1014 | I | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 173.3 | -61.4 | 169.7 | 0 | 0 | 0 | 109.3 | T979 L987 L991 I1002 T1004 N1010 E1011 E1016 V1017 L1018 L1059 | T979-I1014 HydrophobicContact CG2-CD1 3.78Å; T979-I1014 HydrophobicContact CG2-CG1 4.36Å; L987-I1014 HydrophobicContact CD2-CG1 4.15Å; L991-I1014 HydrophobicContact CD2-CB 4.23Å; L991-I1014 HydrophobicContact CD2-CG1 4.23Å; L991-I1014 HydrophobicContact CD2-CG2 3.95Å; I1002-I1014 HydrophobicContact CG2-CG2 4.32Å; T1004-I1014 HydrophobicContact CG2-CD1 3.98Å; T1004-I1014 WeakPolarHBondContact OG1-CD1 3.5Å; N1010-I1014 PolarHBondContact O-N 3.37Å; N1010-I1014 VanDerWaalsContact O-N 3.17Å; E1011-I1014 PolarHBondContact O-N 3.43Å; I1014-E1016 PolarHBondContact O-N 2.87Å; I1014-V1017 PolarHBondContact O-N 2.93Å; I1014-V1017 VanDerWaalsContact O-N 3.15Å; I1014-L1018 HydrophobicContact CG2-CD1 3.98Å; I1014-L1018 HydrophobicContact CG2-CG 4.23Å; I1014-L1018 WeakPolarHBondContact O-CG 3.26Å; I1014-L1018 PolarHBondContact O-N 2.83Å; I1014-L1059 HydrophobicContact CB-CD2 4.05Å; I1014-L1059 HydrophobicContact CG2-CD2 3.86Å |
| 1015 | G | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1011 D1012 Q1019 L1059 | E1011-G1015 PolarHBondContact O-N 3.41Å; D1012-G1015 PolarHBondContact O-N 3.2Å; G1015-Q1019 WeakPolarHBondContact O-CB 3.46Å; G1015-Q1019 VanDerWaalsContact O-CG 3.28Å; G1015-Q1019 WeakPolarHBondContact O-CG 3.4Å; G1015-Q1019 PolarHBondContact O-N 2.87Å; G1015-L1059 WeakPolarHBondContact CA-O 3.23Å |
| 1016 | E | 94.3 | Very high | 91.8 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 171 | -75.9 | 176 | 176.3 | 0 | 0 | 112.7 | R988 D1012 I1013 I1014 Q1020 | R988-E1016 IonicContact CZ-OE2 3.55Å; R988-E1016 IonicContact NE-OE2 2.71Å; R988-E1016 PolarHBondContact NE-OE2 2.68Å; R988-E1016 VanDerWaalsContact NE-OE2 3.11Å; R988-E1016 IonicContact NH2-OE1 3.71Å; R988-E1016 IonicContact NH2-OE2 3.86Å; R988-E1016 PolarHBondContact NH2-OE2 3.42Å; D1012-E1016 WeakPolarHBondContact O-CG 3.48Å; D1012-E1016 PolarHBondContact O-N 3.21Å; I1013-E1016 PolarHBondContact O-N 3.06Å; I1014-E1016 PolarHBondContact O-N 2.87Å; E1016-Q1020 WeakPolarHBondContact O-CB 3.38Å; E1016-Q1020 VanDerWaalsContact O-CG 3.23Å; E1016-Q1020 WeakPolarHBondContact O-CG 2.88Å; E1016-Q1020 PolarHBondContact O-N 2.77Å |
| 1017 | V | 96.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71 | -40.1 | -178.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | R988 L991 K992 L995 I1013 I1014 Q1020 W1021 | R988-V1017 HydrophobicContact CB-CG2 4.13Å; R988-V1017 HydrophobicContact CG-CG2 4.05Å; L991-V1017 HydrophobicContact CB-CG1 4.23Å; L991-V1017 HydrophobicContact CD2-CB 3.85Å; L991-V1017 HydrophobicContact CD2-CG1 3.79Å; L991-V1017 HydrophobicContact CD2-CG2 4.47Å; L991-V1017 HydrophobicContact CG-CB 4.39Å; L991-V1017 HydrophobicContact CG-CG1 3.76Å; K992-V1017 HydrophobicContact CG-CG1 3.65Å; L995-V1017 HydrophobicContact CD1-CG1 4.15Å; I1013-V1017 WeakPolarHBondContact O-CG2 3.4Å; I1013-V1017 PolarHBondContact O-N 3.04Å; I1013-V1017 VanDerWaalsContact O-N 3.15Å; I1014-V1017 PolarHBondContact O-N 2.93Å; I1014-V1017 VanDerWaalsContact O-N 3.15Å; V1017-Q1020 PolarHBondContact O-N 3.23Å; V1017-W1021 WeakPolarHBondContact O-CB 3.47Å; V1017-W1021 PolarHBondContact O-N 2.99Å |
| 1018 | L | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 176.6 | -71.1 | -174.2 | 0 | 0 | 0 | 111.9 | L995 I1002 I1014 Q1020 W1021 F1022 L1032 V1034 L1061 | L995-L1018 HydrophobicContact CD1-CD2 4.11Å; L995-L1018 HydrophobicContact CD2-CD2 4.49Å; I1002-L1018 HydrophobicContact CD1-CD1 4.27Å; I1002-L1018 HydrophobicContact CD1-CD2 3.67Å; I1002-L1018 HydrophobicContact CD1-CG 4.41Å; I1014-L1018 HydrophobicContact CG2-CD1 3.98Å; I1014-L1018 HydrophobicContact CG2-CG 4.23Å; I1014-L1018 WeakPolarHBondContact O-CG 3.26Å; I1014-L1018 PolarHBondContact O-N 2.83Å; L1018-Q1020 VanDerWaalsContact C-N 3.32Å; L1018-Q1020 PolarHBondContact O-N 3.45Å; L1018-W1021 PolarHBondContact O-N 3.22Å; L1018-W1021 VanDerWaalsContact O-N 3.09Å; L1018-F1022 HydrophobicContact CB-CE2 4.02Å; L1018-F1022 HydrophobicContact CB-CZ 4.17Å; L1018-F1022 VanDerWaalsContact O-CD2 3.23Å; L1018-F1022 WeakPolarHBondContact O-CD2 3.3Å; L1018-F1022 WeakPolarHBondContact O-CG 3.37Å; L1018-F1022 PolarHBondContact O-N 3.47Å; L1018-L1032 HydrophobicContact CD1-CD1 4.5Å; L1018-L1032 HydrophobicContact CD2-CD1 3.47Å; L1018-L1032 VanDerWaalsContact CD2-CD1 3.47Å; L1018-V1034 HydrophobicContact CD1-CG2 4.44Å; L1018-L1061 HydrophobicContact CD1-CD1 4.44Å |
| 1019 | Q | 94.3 | Very high | 91.6 | Very high | 82 Ų | 82 | 45.1 Ų | 45.1 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 175.8 | -70.4 | -65.9 | -16.7 | 0 | 0 | 112.1 | G1015 A1023 K1060 | G1015-Q1019 WeakPolarHBondContact O-CB 3.46Å; G1015-Q1019 VanDerWaalsContact O-CG 3.28Å; G1015-Q1019 WeakPolarHBondContact O-CG 3.4Å; G1015-Q1019 PolarHBondContact O-N 2.87Å; Q1019-A1023 WeakPolarHBondContact O-CB 3.45Å; Q1019-A1023 PolarHBondContact O-N 2.75Å; Q1019-K1060 HydrophobicContact CG-CB 3.97Å; Q1019-K1060 HydrophobicContact CG-CD 4.45Å; Q1019-K1060 PolarHBondContact NE2-O 2.67Å |
| 1020 | Q | 91.7 | Very high | 91.6 | Very high | 89 Ų | 89 | 46.8 Ų | 46.8 | 42% | 0.416 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 170.6 | -73.7 | 169 | 33.2 | 0 | 0 | 112.7 | K992 E1016 V1017 L1018 S1024 | K992-Q1020 VanDerWaalsContact CE-OE1 3.25Å; E1016-Q1020 WeakPolarHBondContact O-CB 3.38Å; E1016-Q1020 VanDerWaalsContact O-CG 3.23Å; E1016-Q1020 WeakPolarHBondContact O-CG 2.88Å; E1016-Q1020 PolarHBondContact O-N 2.77Å; V1017-Q1020 PolarHBondContact O-N 3.23Å; L1018-Q1020 VanDerWaalsContact C-N 3.32Å; L1018-Q1020 PolarHBondContact O-N 3.45Å; Q1020-S1024 WeakPolarHBondContact O-CB 3.36Å; Q1020-S1024 PolarHBondContact O-N 2.87Å |
| 1021 | W | 93.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.3 | -46 | 178.5 | -172.6 | 70 | 0 | 0 | 0 | 111.7 | L995 V1017 L1018 A1023 S1024 A1026 D1031 L1032 | L995-W1021 HydrophobicContact CB-CG 4.49Å; L995-W1021 HydrophobicContact CD1-CB 4.09Å; L995-W1021 HydrophobicContact CD1-CD2 4.22Å; L995-W1021 HydrophobicContact CD1-CG 3.9Å; L995-W1021 HydrophobicContact CD2-CD2 4.16Å; L995-W1021 HydrophobicContact CD2-CE3 4.32Å; L995-W1021 HydrophobicContact CD2-CZ2 4.35Å; V1017-W1021 WeakPolarHBondContact O-CB 3.47Å; V1017-W1021 PolarHBondContact O-N 2.99Å; L1018-W1021 PolarHBondContact O-N 3.22Å; L1018-W1021 VanDerWaalsContact O-N 3.09Å; W1021-A1023 PolarHBondContact O-N 2.93Å; W1021-S1024 PolarHBondContact O-N 3.19Å; W1021-S1024 VanDerWaalsContact O-N 3.17Å; W1021-S1024 PolarHBondContact O-OG 2.84Å; W1021-A1026 WeakPolarHBondContact CZ2-O 3.3Å; W1021-D1031 HydrophobicContact CH2-CB 4.41Å; W1021-L1032 HydrophobicContact CE3-CD1 3.96Å; W1021-L1032 HydrophobicContact CE3-CG 4.43Å; W1021-L1032 HydrophobicContact CH2-CD2 3.97Å; W1021-L1032 HydrophobicContact CH2-CG 4.25Å; W1021-L1032 HydrophobicContact CZ3-CD1 3.68Å; W1021-L1032 HydrophobicContact CZ3-CD2 3.81Å; W1021-L1032 HydrophobicContact CZ3-CG 3.66Å |
| 1022 | F | 92.5 | Very high | 91.2 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 18% | 0.18 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 173 | -55.4 | -35.3 | 0 | 0 | 0 | 111.6 | L1018 S1024 G1025 K1028 R1029 L1032 L1061 | L1018-F1022 HydrophobicContact CB-CE2 4.02Å; L1018-F1022 HydrophobicContact CB-CZ 4.17Å; L1018-F1022 VanDerWaalsContact O-CD2 3.23Å; L1018-F1022 WeakPolarHBondContact O-CD2 3.3Å; L1018-F1022 WeakPolarHBondContact O-CG 3.37Å; L1018-F1022 PolarHBondContact O-N 3.47Å; F1022-S1024 PolarHBondContact O-N 3.38Å; F1022-G1025 PolarHBondContact O-N 2.7Å; F1022-K1028 WeakPolarHBondContact CE1-O 2.9Å; F1022-R1029 HydrophobicContact CE1-CB 4.39Å; F1022-R1029 HydrophobicContact CE2-CB 4.47Å; F1022-R1029 HydrophobicContact CZ-CB 4.08Å; F1022-L1032 HydrophobicContact CE1-CD1 3.69Å; F1022-L1032 HydrophobicContact CE1-CG 4.47Å; F1022-L1032 HydrophobicContact CZ-CD1 3.89Å; F1022-L1061 HydrophobicContact CE2-CD2 3.98Å; F1022-L1061 HydrophobicContact CZ-CD2 4.39Å |
| 1023 | A | 86.9 | Confident | 91.4 | Very high | 90 Ų | 90 | 47.5 Ų | 47.5 | 74% | 0.744 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.4 | -22.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1019 W1021 G1025 | Q1019-A1023 WeakPolarHBondContact O-CB 3.45Å; Q1019-A1023 PolarHBondContact O-N 2.75Å; W1021-A1023 PolarHBondContact O-N 2.93Å; A1023-G1025 VanDerWaalsContact C-N 3.28Å |
| 1024 | S | 87.6 | Confident | 91.5 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -10.1 | 173.3 | 76.8 | 0 | 0 | 0 | 0 | 114.1 | Q1020 W1021 F1022 A1026 | Q1020-S1024 WeakPolarHBondContact O-CB 3.36Å; Q1020-S1024 PolarHBondContact O-N 2.87Å; W1021-S1024 PolarHBondContact O-N 3.19Å; W1021-S1024 VanDerWaalsContact O-N 3.17Å; W1021-S1024 PolarHBondContact O-OG 2.84Å; F1022-S1024 PolarHBondContact O-N 3.38Å; S1024-A1026 PolarHBondContact O-N 2.75Å; S1024-A1026 WeakPolarHBondContact OG-CB 3.08Å; S1024-A1026 PolarHBondContact OG-N 3.39Å |
| 1025 | G | 82 | Confident | 91.6 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 67% | 0.67 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 2.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | F1022 A1023 G1027 | F1022-G1025 PolarHBondContact O-N 2.7Å; A1023-G1025 VanDerWaalsContact C-N 3.28Å; G1025-G1027 PolarHBondContact O-N 2.77Å |
| 1026 | A | 80.2 | Confident | 91.8 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 50% | 0.504 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -70.6 | -7.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | W1021 S1024 | W1021-A1026 WeakPolarHBondContact CZ2-O 3.3Å; S1024-A1026 PolarHBondContact O-N 2.75Å; S1024-A1026 WeakPolarHBondContact OG-CB 3.08Å; S1024-A1026 PolarHBondContact OG-N 3.39Å |
| 1027 | G | 85 | Confident | 91.9 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | trans | 170.8 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1025 D1031 | G1025-G1027 PolarHBondContact O-N 2.77Å; G1027-D1031 WeakPolarHBondContact CA-OD2 3.2Å | ||
| 1028 | K | 89.2 | Confident | 92 | Very high | 117 Ų | 117 | 43.3 Ų | 43.3 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | trans | -120.4 | 170.6 | -173.1 | -54.1 | 177.5 | -171.8 | 179.6 | 0 | 111.9 | F1022 E1030 D1031 | F1022-K1028 WeakPolarHBondContact CE1-O 2.9Å; K1028-E1030 VanDerWaalsContact C-N 3.26Å; K1028-E1030 HydrophobicContact CB-CG 3.79Å; K1028-E1030 HydrophobicContact CD-CG 3.7Å; K1028-E1030 WeakPolarHBondContact CD-OE1 3.12Å; K1028-E1030 WeakPolarHBondContact CE-OE1 3.49Å; K1028-E1030 HydrophobicContact CG-CG 4.47Å; K1028-E1030 IonicContact NZ-OE1 2.67Å; K1028-E1030 PolarHBondContact NZ-OE1 2.89Å; K1028-E1030 PolarHBondContact O-N 2.72Å; K1028-D1031 PolarHBondContact N-OD2 2.85Å; K1028-D1031 PolarHBondContact O-N 2.74Å | ||
| 1029 | R | 93.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -58.6 | -37.4 | 171.1 | 175.5 | 55.9 | -171.6 | 102.4 | -10 | 112.9 | F1022 D1031 L1032 Y1063 D1065 | F1022-R1029 HydrophobicContact CE1-CB 4.39Å; F1022-R1029 HydrophobicContact CE2-CB 4.47Å; F1022-R1029 HydrophobicContact CZ-CB 4.08Å; R1029-D1031 VanDerWaalsContact C-N 3.26Å; R1029-D1031 PolarHBondContact O-N 3.27Å; R1029-L1032 PolarHBondContact NH1-O 2.97Å; R1029-L1032 PolarHBondContact O-N 2.82Å; R1029-Y1063 HydrophobicContact CG-CE1 3.99Å; R1029-Y1063 VanDerWaalsContact CZ-CE2 3.4Å; R1029-Y1063 PolarHBondContact NH2-O 3.24Å; R1029-D1065 IonicContact CZ-OD2 2.73Å; R1029-D1065 IonicContact NH1-OD1 2.71Å; R1029-D1065 IonicContact NH1-OD2 3.72Å; R1029-D1065 PolarHBondContact NH1-OD2 3.03Å; R1029-D1065 IonicContact NH2-OD2 3.95Å; R1029-D1065 PolarHBondContact NH2-OD2 3.19Å |
| 1030 | E | 89.1 | Confident | 91.7 | Very high | 126 Ų | 126 | 41.5 Ų | 41.5 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -70.1 | -17.5 | 179.5 | 55.6 | -171.3 | -161.9 | 0 | 0 | 114.1 | K1028 L1032 | K1028-E1030 VanDerWaalsContact C-N 3.26Å; K1028-E1030 HydrophobicContact CB-CG 3.79Å; K1028-E1030 HydrophobicContact CD-CG 3.7Å; K1028-E1030 WeakPolarHBondContact CD-OE1 3.12Å; K1028-E1030 WeakPolarHBondContact CE-OE1 3.49Å; K1028-E1030 HydrophobicContact CG-CG 4.47Å; K1028-E1030 IonicContact NZ-OE1 2.67Å; K1028-E1030 PolarHBondContact NZ-OE1 2.89Å; K1028-E1030 PolarHBondContact O-N 2.72Å; E1030-L1032 VanDerWaalsContact C-N 3.32Å |
| 1031 | D | 89.6 | Confident | 91.7 | Very high | 76 Ų | 76 | 37.5 Ų | 37.5 | 41% | 0.406 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -82.4 | -8.7 | 176.1 | -55.6 | -33.5 | 0 | 0 | 0 | 113 | R1000 W1021 G1027 K1028 R1029 | R1000-D1031 WeakPolarHBondContact CD-O 3.32Å; W1021-D1031 HydrophobicContact CH2-CB 4.41Å; G1027-D1031 WeakPolarHBondContact CA-OD2 3.2Å; K1028-D1031 PolarHBondContact N-OD2 2.85Å; K1028-D1031 PolarHBondContact O-N 2.74Å; R1029-D1031 VanDerWaalsContact C-N 3.26Å; R1029-D1031 PolarHBondContact O-N 3.27Å |
| 1032 | L | 93.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | trans | -112.9 | 146.4 | -174.3 | -64.3 | -178.3 | 0 | 0 | 0 | 112.9 | L995 R1000 I1002 L1018 W1021 F1022 R1029 E1030 V1034 D1065 | L995-L1032 HydrophobicContact CD2-CD1 4.41Å; L995-L1032 HydrophobicContact CD2-CD2 3.76Å; R1000-L1032 HydrophobicContact CB-CD2 4.33Å; R1000-L1032 WeakPolarHBondContact O-CA 3.26Å; I1002-L1032 HydrophobicContact CD1-CD1 4.44Å; L1018-L1032 HydrophobicContact CD1-CD1 4.5Å; L1018-L1032 HydrophobicContact CD2-CD1 3.47Å; L1018-L1032 VanDerWaalsContact CD2-CD1 3.47Å; W1021-L1032 HydrophobicContact CE3-CD1 3.96Å; W1021-L1032 HydrophobicContact CE3-CG 4.43Å; W1021-L1032 HydrophobicContact CH2-CD2 3.97Å; W1021-L1032 HydrophobicContact CH2-CG 4.25Å; W1021-L1032 HydrophobicContact CZ3-CD1 3.68Å; W1021-L1032 HydrophobicContact CZ3-CD2 3.81Å; W1021-L1032 HydrophobicContact CZ3-CG 3.66Å; F1022-L1032 HydrophobicContact CE1-CD1 3.69Å; F1022-L1032 HydrophobicContact CE1-CG 4.47Å; F1022-L1032 HydrophobicContact CZ-CD1 3.89Å; R1029-L1032 PolarHBondContact NH1-O 2.97Å; R1029-L1032 PolarHBondContact O-N 2.82Å; E1030-L1032 VanDerWaalsContact C-N 3.32Å; L1032-V1034 HydrophobicContact CB-CG2 4.39Å; L1032-D1065 VanDerWaalsContact O-OD2 3.12Å | ||
| 1033 | F | 96.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 111 | 169.2 | -165.6 | -72.3 | 0 | 0 | 0 | 108.8 | L966 L970 P971 M972 P973 R1000 H1001 I1002 D1065 L1066 | L966-F1033 HydrophobicContact CD1-CE2 4.15Å; L966-F1033 HydrophobicContact CD1-CZ 3.86Å; L970-F1033 HydrophobicContact CD2-CD2 4.46Å; L970-F1033 HydrophobicContact CD2-CE2 3.62Å; L970-F1033 HydrophobicContact CD2-CZ 4.21Å; L970-F1033 HydrophobicContact CG-CE2 4.01Å; P971-F1033 WeakPolarHBondContact O-CD2 3.49Å; M972-F1033 HydrophobicContact CB-CD2 4.02Å; M972-F1033 HydrophobicContact CB-CE1 4.49Å; M972-F1033 HydrophobicContact CB-CE2 3.61Å; M972-F1033 HydrophobicContact CB-CZ 3.89Å; M972-F1033 HydrophobicContact CE-CE1 3.98Å; M972-F1033 HydrophobicContact CE-CZ 4.47Å; M972-F1033 HydrophobicContact CG-CD1 4.1Å; M972-F1033 HydrophobicContact CG-CD2 4.14Å; M972-F1033 HydrophobicContact CG-CE1 3.79Å; M972-F1033 HydrophobicContact CG-CE2 3.83Å; M972-F1033 HydrophobicContact CG-CG 4.27Å; M972-F1033 HydrophobicContact CG-CZ 3.66Å; M972-F1033 HydrophobicContact SD-CE1 3.94Å; M972-F1033 HydrophobicContact SD-CZ 3.82Å; P973-F1033 HydrophobicContact CG-CB 4.44Å; R1000-F1033 PolarHBondContact O-N 3.39Å; H1001-F1033 CarbonylContact C-O 3.6Å; H1001-F1033 VanDerWaalsContact CA-O 3.31Å; H1001-F1033 WeakPolarHBondContact CA-O 3.43Å; H1001-F1033 HydrophobicContact CB-CB 4.35Å; H1001-F1033 AromaticContact CD2-CD1 3.56Å; H1001-F1033 PolarHBondContact CD2-O 3.4Å; I1002-F1033 PolarHBondContact N-O 2.94Å; F1033-D1065 WeakPolarHBondContact CA-OD2 3.28Å; F1033-D1065 HydrophobicContact CB-CB 4.5Å; F1033-D1065 HydrophobicContact CD1-CB 3.91Å; F1033-D1065 HydrophobicContact CD2-CB 3.79Å; F1033-D1065 HydrophobicContact CE1-CB 3.98Å; F1033-D1065 HydrophobicContact CE2-CB 3.88Å; F1033-D1065 HydrophobicContact CG-CB 3.81Å; F1033-D1065 HydrophobicContact CZ-CB 3.95Å; F1033-L1066 HydrophobicContact CE1-CB 3.59Å; F1033-L1066 HydrophobicContact CE1-CD2 4.11Å; F1033-L1066 HydrophobicContact CZ-CB 3.84Å; F1033-L1066 HydrophobicContact CZ-CD2 4.38Å |
| 1034 | V | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.5 | -177.8 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | L1018 L1032 L1059 L1061 V1064 D1065 L1066 | L1018-V1034 HydrophobicContact CD1-CG2 4.44Å; L1032-V1034 HydrophobicContact CB-CG2 4.39Å; V1034-L1059 HydrophobicContact CG1-CD1 4.22Å; V1034-L1061 HydrophobicContact CB-CD1 4.23Å; V1034-L1061 HydrophobicContact CG1-CD1 4.08Å; V1034-L1061 HydrophobicContact CG2-CD1 3.96Å; V1034-V1064 HydrophobicContact CG1-CG1 4.31Å; V1034-D1065 PolarHBondContact N-OD2 2.88Å; V1034-D1065 PolarHBondContact O-N 3.18Å; V1034-L1066 PolarHBondContact O-N 2.8Å; V1034-L1066 VanDerWaalsContact O-N 3.13Å |
| 1035 | T | 98.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128 | 175.8 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | H1001 I1002 D1003 T1004 L1066 L1068 | H1001-T1035 PolarHBondContact NE2-OG1 2.62Å; I1002-T1035 PolarHBondContact O-N 3.45Å; D1003-T1035 WeakPolarHBondContact OD2-CG2 3.42Å; T1004-T1035 WeakPolarHBondContact CG2-O 3.48Å; T1004-T1035 PolarHBondContact N-O 3.1Å; T1035-L1066 WeakPolarHBondContact CA-O 3.36Å; T1035-L1066 HydrophobicContact CG2-CB 4.17Å; T1035-L1066 HydrophobicContact CG2-CD2 3.97Å; T1035-L1066 HydrophobicContact CG2-CG 4.03Å; T1035-L1068 HydrophobicContact CG2-CD1 3.84Å; T1035-L1068 HydrophobicContact CG2-CG 4.1Å |
| 1036 | T | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 173.6 | 164.4 | -167 | 0 | 0 | 0 | 0 | 111.3 | T1004 A1005 E1011 L1052 L1059 V1064 L1066 F1067 L1068 | T1004-T1036 WeakPolarHBondContact O-CA 3.35Å; A1005-T1036 WeakPolarHBondContact CA-OG1 3.42Å; E1011-T1036 WeakPolarHBondContact OE1-CB 3.19Å; E1011-T1036 PolarHBondContact OE1-OG1 2.94Å; T1036-L1052 HydrophobicContact CG2-CD1 4.28Å; T1036-L1059 HydrophobicContact CG2-CD1 4.43Å; T1036-V1064 HydrophobicContact CG2-CG1 4.02Å; T1036-V1064 HydrophobicContact CG2-CG2 4.44Å; T1036-L1066 PolarHBondContact N-O 2.83Å; T1036-L1066 VanDerWaalsContact N-O 3.16Å; T1036-F1067 HydrophobicContact CG2-CD2 3.84Å; T1036-F1067 HydrophobicContact CG2-CE2 4.12Å; T1036-F1067 WeakPolarHBondContact O-CA 3.35Å; T1036-L1068 PolarHBondContact O-N 3.12Å |
| 1037 | K | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 131.8 | -166.2 | -41.6 | -175.6 | -179.8 | 73.1 | 0 | 113 | D1003 T1004 A1005 Y1008 L1068 H1070 | D1003-K1037 IonicContact OD1-NZ 3.29Å; D1003-K1037 PolarHBondContact OD1-NZ 3.17Å; D1003-K1037 IonicContact OD2-NZ 3.76Å; D1003-K1037 PolarHBondContact OD2-NZ 2.95Å; T1004-K1037 WeakPolarHBondContact O-CG 3.42Å; T1004-K1037 PolarHBondContact O-NZ 2.87Å; A1005-K1037 HydrophobicContact CB-CB 3.81Å; A1005-K1037 HydrophobicContact CB-CD 3.99Å; A1005-K1037 HydrophobicContact CB-CG 3.83Å; Y1008-K1037 PolarHBondContact OH-NZ 3.03Å; Y1008-K1037 VanDerWaalsContact OH-NZ 3.14Å; K1037-L1068 CarbonylContact C-O 3.58Å; K1037-L1068 WeakPolarHBondContact CA-O 3.35Å; K1037-L1068 HydrophobicContact CB-CB 4.37Å; K1037-L1068 HydrophobicContact CD-CD1 4.43Å; K1037-L1068 HydrophobicContact CG-CB 4.09Å; K1037-L1068 HydrophobicContact CG-CD1 4.4Å; K1037-H1070 HydrophobicContact CB-CB 3.9Å |
| 1038 | L | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 122.2 | 174.4 | -177.1 | 73.8 | 0 | 0 | 0 | 110.7 | N1042 V1048 F1067 L1068 H1070 T1100 M1104 | L1038-N1042 HydrophobicContact CD1-CB 3.91Å; L1038-V1048 HydrophobicContact CD1-CB 4.29Å; L1038-V1048 HydrophobicContact CD1-CG1 4.14Å; L1038-V1048 HydrophobicContact CD1-CG2 4.35Å; L1038-V1048 HydrophobicContact CD2-CG1 4.32Å; L1038-V1048 HydrophobicContact CD2-CG2 3.96Å; L1038-F1067 HydrophobicContact CB-CE1 4.17Å; L1038-F1067 HydrophobicContact CB-CE2 4.21Å; L1038-F1067 HydrophobicContact CB-CZ 3.68Å; L1038-F1067 HydrophobicContact CD1-CE1 4.31Å; L1038-F1067 HydrophobicContact CD1-CZ 3.88Å; L1038-F1067 HydrophobicContact CG-CZ 4.4Å; L1038-L1068 PolarHBondContact N-O 2.87Å; L1038-H1070 WeakPolarHBondContact O-CB 3.48Å; L1038-H1070 PolarHBondContact O-N 3.08Å; L1038-T1100 HydrophobicContact CD2-CG2 3.58Å; L1038-M1104 HydrophobicContact CD2-SD 4.27Å |
| 1039 | P | 94.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | trans | -74 | 151.5 | 179.6 | 33.8 | -37.1 | 0 | 0 | 0 | 111.7 | Y1006 V1007 H1041 N1042 H1043 S1051 | Y1006-P1039 HydrophobicContact CD1-CB 3.83Å; Y1006-P1039 HydrophobicContact CD1-CG 3.7Å; Y1006-P1039 HydrophobicContact CE1-CB 4.47Å; Y1006-P1039 HydrophobicContact CE1-CG 4.2Å; Y1006-P1039 HydrophobicContact CG-CB 4.39Å; Y1006-P1039 HydrophobicContact CG-CG 3.97Å; V1007-P1039 HydrophobicContact CG1-CB 3.62Å; P1039-H1041 VanDerWaalsContact CB-CE1 3.49Å; P1039-H1041 WeakPolarHBondContact CB-CE1 3.38Å; P1039-H1041 PolarHBondContact O-N 3.12Å; P1039-N1042 HydrophobicContact CG-CB 4.05Å; P1039-N1042 WeakPolarHBondContact CG-ND2 3.45Å; P1039-N1042 PolarHBondContact O-N 3.34Å; P1039-H1043 PolarHBondContact O-CD2 3.01Å; P1039-S1051 WeakPolarHBondContact CD-OG 3.34Å | ||
| 1040 | M | 91.2 | Very high | 94.2 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 22% | 0.217 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -51.9 | -28.3 | -175 | -63.9 | -177.1 | -69.6 | 0 | 0 | 114.7 | H1043 A1071 L1073 S1074 A1075 A1083 F1085 V1090 | M1040-H1043 PolarHBondContact O-CD2 2.59Å; M1040-H1043 VanDerWaalsContact O-CD2 3.32Å; M1040-A1071 HydrophobicContact CG-CB 4.18Å; M1040-A1071 HydrophobicContact SD-CB 4.18Å; M1040-L1073 WeakPolarHBondContact CB-O 3.35Å; M1040-L1073 WeakPolarHBondContact CG-O 3.38Å; M1040-S1074 WeakPolarHBondContact O-CA 3.29Å; M1040-A1075 HydrophobicContact CB-CB 3.75Å; M1040-A1075 PolarHBondContact O-N 3.05Å; M1040-A1083 HydrophobicContact CE-CB 4.44Å; M1040-F1085 HydrophobicContact CE-CZ 4.45Å; M1040-V1090 HydrophobicContact CE-CB 4.42Å; M1040-V1090 HydrophobicContact CE-CG1 4.45Å; M1040-V1090 HydrophobicContact CE-CG2 4.01Å; M1040-V1090 HydrophobicContact SD-CG1 4.33Å |
| 1041 | H | 91.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -82.8 | -17.2 | -179.1 | 57.6 | -96.6 | 0 | 0 | 0 | 115.1 | Y1006 P1039 A1075 T1077 K1081 A1083 | Y1006-H1041 AromaticContact CE1-CE1 3.98Å; P1039-H1041 VanDerWaalsContact CB-CE1 3.49Å; P1039-H1041 WeakPolarHBondContact CB-CE1 3.38Å; P1039-H1041 PolarHBondContact O-N 3.12Å; H1041-A1075 WeakPolarHBondContact CA-O 3.37Å; H1041-T1077 HydrophobicContact CB-CG2 3.86Å; H1041-K1081 PolarHBondContact CE1-O 3.38Å; H1041-K1081 PolarHBondContact NE2-O 3.08Å; H1041-A1083 HydrophobicContact CB-CB 4.41Å; H1041-A1083 PolarHBondContact ND1-N 2.83Å |
| 1042 | N | 94.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -99.1 | 29.3 | -179.2 | -72.7 | -29.3 | 0 | 0 | 0 | 112.8 | L1038 P1039 R1044 D1047 R1050 S1051 | L1038-N1042 HydrophobicContact CD1-CB 3.91Å; P1039-N1042 HydrophobicContact CG-CB 4.05Å; P1039-N1042 WeakPolarHBondContact CG-ND2 3.45Å; P1039-N1042 PolarHBondContact O-N 3.34Å; N1042-R1044 VanDerWaalsContact C-N 3.34Å; N1042-R1044 PolarHBondContact O-N 2.67Å; N1042-D1047 HydrophobicContact CB-CB 3.92Å; N1042-R1050 PolarHBondContact OD1-NH2 3.48Å; N1042-S1051 VanDerWaalsContact ND2-CB 3.3Å; N1042-S1051 WeakPolarHBondContact ND2-CB 3.21Å; N1042-S1051 PolarHBondContact ND2-OG 3.27Å |
| 1043 | H | 95.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | trans | -74.3 | -12.7 | -173.6 | -88.6 | -139.5 | 0 | 0 | 0 | 115.6 | P1039 M1040 A1071 L1073 V1095 T1100 | P1039-H1043 PolarHBondContact O-CD2 3.01Å; M1040-H1043 PolarHBondContact O-CD2 2.59Å; M1040-H1043 VanDerWaalsContact O-CD2 3.32Å; H1043-A1071 PolarHBondContact CE1-O 3.47Å; H1043-A1071 VanDerWaalsContact CE1-O 3.29Å; H1043-L1073 PolarHBondContact CE1-O 3.25Å; H1043-V1095 HydrophobicContact CB-CB 4.38Å; H1043-V1095 HydrophobicContact CB-CG1 4.25Å; H1043-V1095 WeakPolarHBondContact O-CG1 3.42Å; H1043-T1100 HydrophobicContact CB-CG2 4.27Å; H1043-T1100 WeakPolarHBondContact O-CA 3.49Å; H1043-T1100 WeakPolarHBondContact O-CB 3.46Å; H1043-T1100 PolarHBondContact O-OG1 3.22Å | ||
| 1044 | R | 91.1 | Very high | 95 | Very high | 104 Ų | 104 | 33.3 Ų | 33.3 | 39% | 0.392 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -73.1 | 140.3 | 176.7 | -56.4 | 172.6 | 163.5 | 66.2 | 12.6 | 109.4 | N1042 P1046 D1047 V1048 D1093 V1095 | N1042-R1044 VanDerWaalsContact C-N 3.34Å; N1042-R1044 PolarHBondContact O-N 2.67Å; R1044-P1046 VanDerWaalsContact C-CD 3.44Å; R1044-P1046 VanDerWaalsContact C-N 3.33Å; R1044-D1047 HydrophobicContact CB-CB 4.49Å; R1044-D1047 WeakPolarHBondContact CB-OD2 3.25Å; R1044-D1047 WeakPolarHBondContact CD-OD2 3.25Å; R1044-D1047 WeakPolarHBondContact O-CA 3.48Å; R1044-D1047 WeakPolarHBondContact O-CB 3.14Å; R1044-D1047 PolarHBondContact O-N 3.43Å; R1044-V1048 PolarHBondContact O-N 3.42Å; R1044-D1093 IonicContact CZ-OD2 3.52Å; R1044-D1093 IonicContact NH1-OD2 2.86Å; R1044-D1093 PolarHBondContact NH1-OD2 3.42Å; R1044-D1093 IonicContact NH2-OD1 3.64Å; R1044-D1093 PolarHBondContact NH2-OD1 3.46Å; R1044-D1093 IonicContact NH2-OD2 3.17Å; R1044-D1093 PolarHBondContact NH2-OD2 2.94Å; R1044-V1095 HydrophobicContact CG-CG1 4.35Å; R1044-V1095 HydrophobicContact CG-CG2 3.88Å |
| 1045 | R | 93.5 | Very high | 95 | Very high | 99 Ų | 99 | 33.3 Ų | 33.3 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -42.5 | -44.8 | -176.5 | -174.8 | 170.5 | -179 | 177.4 | 2 | 115.6 | D1106 | R1045-D1106 IonicContact CZ-OD1 2.82Å; R1045-D1106 IonicContact CZ-OD2 3.9Å; R1045-D1106 VanDerWaalsContact CZ-OD2 3.32Å; R1045-D1106 IonicContact NE-OD1 3.28Å; R1045-D1106 IonicContact NE-OD2 3.12Å; R1045-D1106 PolarHBondContact NE-OD2 3.49Å; R1045-D1106 VanDerWaalsContact NH2-CG 3.31Å; R1045-D1106 IonicContact NH2-OD1 3.67Å; R1045-D1106 PolarHBondContact NH2-OD1 2.88Å; R1045-D1106 IonicContact NH2-OD2 3.72Å; R1045-D1106 PolarHBondContact NH2-OD2 3.16Å; R1045-D1106 VanDerWaalsContact NH2-OD2 3.09Å |
| 1046 | P | 88.7 | Confident | 94.9 | Very high | 101 Ų | 101 | 33.9 Ų | 33.9 | 66% | 0.656 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -73.4 | -30 | 177.5 | -16.3 | 32.6 | 0 | 0 | 0 | 114.3 | R1044 V1048 | R1044-P1046 VanDerWaalsContact C-CD 3.44Å; R1044-P1046 VanDerWaalsContact C-N 3.33Å; P1046-V1048 VanDerWaalsContact C-N 3.27Å; P1046-V1048 PolarHBondContact O-N 3.45Å |
| 1047 | D | 93.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71 | -25.1 | -179.8 | -62.7 | -39.8 | 0 | 0 | 0 | 111.6 | N1042 R1044 E1049 R1050 S1051 | N1042-D1047 HydrophobicContact CB-CB 3.92Å; R1044-D1047 HydrophobicContact CB-CB 4.49Å; R1044-D1047 WeakPolarHBondContact CB-OD2 3.25Å; R1044-D1047 WeakPolarHBondContact CD-OD2 3.25Å; R1044-D1047 WeakPolarHBondContact O-CA 3.48Å; R1044-D1047 WeakPolarHBondContact O-CB 3.14Å; R1044-D1047 PolarHBondContact O-N 3.43Å; D1047-E1049 PolarHBondContact O-N 2.96Å; D1047-R1050 PolarHBondContact O-N 3.03Å; D1047-R1050 IonicContact OD1-CZ 3.32Å; D1047-R1050 VanDerWaalsContact OD1-CZ 3.24Å; D1047-R1050 IonicContact OD1-NH1 2.66Å; D1047-R1050 PolarHBondContact OD1-NH1 3.28Å; D1047-R1050 IonicContact OD1-NH2 2.71Å; D1047-R1050 PolarHBondContact OD1-NH2 2.87Å; D1047-S1051 WeakPolarHBondContact O-CB 3.29Å; D1047-S1051 PolarHBondContact O-N 3.38Å |
| 1048 | V | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | L1038 R1044 P1046 L1052 F1067 T1100 M1104 V1107 | L1038-V1048 HydrophobicContact CD1-CB 4.29Å; L1038-V1048 HydrophobicContact CD1-CG1 4.14Å; L1038-V1048 HydrophobicContact CD1-CG2 4.35Å; L1038-V1048 HydrophobicContact CD2-CG1 4.32Å; L1038-V1048 HydrophobicContact CD2-CG2 3.96Å; R1044-V1048 PolarHBondContact O-N 3.42Å; P1046-V1048 VanDerWaalsContact C-N 3.27Å; P1046-V1048 PolarHBondContact O-N 3.45Å; V1048-L1052 PolarHBondContact O-N 3.2Å; V1048-L1052 VanDerWaalsContact O-N 3.12Å; V1048-F1067 HydrophobicContact CG1-CE1 3.86Å; V1048-T1100 HydrophobicContact CG2-CG2 4.37Å; V1048-M1104 HydrophobicContact CG1-SD 3.74Å; V1048-V1107 HydrophobicContact CG1-CG1 4.34Å; V1048-V1107 HydrophobicContact CG1-CG2 4.43Å |
| 1049 | E | 96.1 | Very high | 94.8 | Very high | 44 Ų | 44 | 39.1 Ų | 39.1 | 21% | 0.206 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.7 | -38.7 | 177.9 | -178.3 | 177.5 | 179.1 | 0 | 0 | 112.5 | D1047 K1053 V1107 K1110 L1112 | D1047-E1049 PolarHBondContact O-N 2.96Å; E1049-K1053 HydrophobicContact CG-CD 4.22Å; E1049-K1053 WeakPolarHBondContact O-CG 3.29Å; E1049-K1053 PolarHBondContact O-N 2.82Å; E1049-K1053 VanDerWaalsContact O-N 3.1Å; E1049-K1053 WeakPolarHBondContact OE1-CE 3.41Å; E1049-K1053 IonicContact OE1-NZ 3.19Å; E1049-K1053 PolarHBondContact OE1-NZ 2.81Å; E1049-V1107 HydrophobicContact CB-CG1 3.8Å; E1049-V1107 HydrophobicContact CG-CG1 4.24Å; E1049-K1110 IonicContact OE1-NZ 3.87Å; E1049-K1110 PolarHBondContact OE1-NZ 3.32Å; E1049-K1110 IonicContact OE2-NZ 3.02Å; E1049-K1110 PolarHBondContact OE2-NZ 3.49Å; E1049-L1112 HydrophobicContact CG-CD1 4.08Å |
| 1050 | R | 93.2 | Very high | 94.8 | Very high | 100 Ų | 100 | 43 Ų | 43 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.4 | -52.2 | 174 | -177.5 | -175.9 | 66.2 | -113.4 | -5.4 | 110 | N1042 D1047 L1052 K1053 E1054 | N1042-R1050 PolarHBondContact OD1-NH2 3.48Å; D1047-R1050 PolarHBondContact O-N 3.03Å; D1047-R1050 IonicContact OD1-CZ 3.32Å; D1047-R1050 VanDerWaalsContact OD1-CZ 3.24Å; D1047-R1050 IonicContact OD1-NH1 2.66Å; D1047-R1050 PolarHBondContact OD1-NH1 3.28Å; D1047-R1050 IonicContact OD1-NH2 2.71Å; D1047-R1050 PolarHBondContact OD1-NH2 2.87Å; R1050-L1052 VanDerWaalsContact C-N 3.32Å; R1050-L1052 PolarHBondContact O-N 2.72Å; R1050-K1053 PolarHBondContact O-N 2.81Å; R1050-K1053 VanDerWaalsContact O-N 3.14Å; R1050-E1054 VanDerWaalsContact CD-OE1 3.28Å; R1050-E1054 WeakPolarHBondContact CD-OE1 3.35Å; R1050-E1054 HydrophobicContact CG-CG 4.45Å; R1050-E1054 WeakPolarHBondContact CG-OE1 3.4Å; R1050-E1054 IonicContact NE-OE1 2.75Å; R1050-E1054 WeakPolarHBondContact O-CG 3.34Å; R1050-E1054 PolarHBondContact O-N 2.84Å |
| 1051 | S | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -37.6 | -175.6 | -161.9 | 0 | 0 | 0 | 0 | 112.8 | P1039 N1042 D1047 S1055 | P1039-S1051 WeakPolarHBondContact CD-OG 3.34Å; N1042-S1051 VanDerWaalsContact ND2-CB 3.3Å; N1042-S1051 WeakPolarHBondContact ND2-CB 3.21Å; N1042-S1051 PolarHBondContact ND2-OG 3.27Å; D1047-S1051 WeakPolarHBondContact O-CB 3.29Å; D1047-S1051 PolarHBondContact O-N 3.38Å; S1051-S1055 PolarHBondContact O-N 2.94Å; S1051-S1055 VanDerWaalsContact O-N 3.13Å |
| 1052 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.7 | -41.5 | 175.1 | -179.3 | 56.3 | 0 | 0 | 0 | 111.6 | T1036 V1048 R1050 E1054 S1055 L1056 V1064 F1067 V1107 L1112 | T1036-L1052 HydrophobicContact CG2-CD1 4.28Å; V1048-L1052 PolarHBondContact O-N 3.2Å; V1048-L1052 VanDerWaalsContact O-N 3.12Å; R1050-L1052 VanDerWaalsContact C-N 3.32Å; R1050-L1052 PolarHBondContact O-N 2.72Å; L1052-E1054 VanDerWaalsContact C-N 3.3Å; L1052-E1054 PolarHBondContact O-N 3.42Å; L1052-S1055 PolarHBondContact O-N 3.1Å; L1052-L1056 HydrophobicContact CD1-CD1 4.35Å; L1052-L1056 HydrophobicContact CD1-CG 4.13Å; L1052-L1056 HydrophobicContact CG-CD1 4.01Å; L1052-L1056 HydrophobicContact CG-CG 4.29Å; L1052-L1056 WeakPolarHBondContact O-CB 3.08Å; L1052-L1056 VanDerWaalsContact O-CG 3.26Å; L1052-L1056 WeakPolarHBondContact O-CG 3.5Å; L1052-L1056 PolarHBondContact O-N 2.92Å; L1052-V1064 HydrophobicContact CD1-CG2 3.88Å; L1052-F1067 HydrophobicContact CB-CE1 3.98Å; L1052-F1067 HydrophobicContact CB-CE2 4.32Å; L1052-F1067 HydrophobicContact CB-CZ 3.85Å; L1052-F1067 HydrophobicContact CD1-CD1 4.44Å; L1052-F1067 HydrophobicContact CD1-CD2 3.8Å; L1052-F1067 HydrophobicContact CD1-CE2 3.9Å; L1052-F1067 HydrophobicContact CD1-CG 4.08Å; L1052-F1067 HydrophobicContact CD1-CZ 4.26Å; L1052-F1067 HydrophobicContact CD2-CD1 4.08Å; L1052-F1067 HydrophobicContact CD2-CE1 4.31Å; L1052-F1067 HydrophobicContact CD2-CG 4.35Å; L1052-F1067 HydrophobicContact CG-CE1 4.5Å; L1052-F1067 HydrophobicContact CG-CZ 4.5Å; L1052-V1107 HydrophobicContact CD2-CB 3.8Å; L1052-V1107 HydrophobicContact CD2-CG1 4.25Å; L1052-V1107 HydrophobicContact CD2-CG2 3.9Å; L1052-L1112 HydrophobicContact CD2-CB 3.56Å; L1052-L1112 HydrophobicContact CG-CB 4.31Å |
| 1053 | K | 96.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 50.5 Ų | 50.5 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -35.5 | 175.9 | -73.7 | 176.9 | -176.7 | 173.4 | 0 | 112.7 | E1049 R1050 G1057 L1112 | E1049-K1053 HydrophobicContact CG-CD 4.22Å; E1049-K1053 WeakPolarHBondContact O-CG 3.29Å; E1049-K1053 PolarHBondContact O-N 2.82Å; E1049-K1053 VanDerWaalsContact O-N 3.1Å; E1049-K1053 WeakPolarHBondContact OE1-CE 3.41Å; E1049-K1053 IonicContact OE1-NZ 3.19Å; E1049-K1053 PolarHBondContact OE1-NZ 2.81Å; R1050-K1053 PolarHBondContact O-N 2.81Å; R1050-K1053 VanDerWaalsContact O-N 3.14Å; K1053-G1057 PolarHBondContact O-N 3.28Å; K1053-L1112 HydrophobicContact CG-CD1 4.3Å |
| 1054 | E | 94.7 | Very high | 95.5 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 172.6 | -72.1 | 172.3 | -167.1 | 0 | 0 | 111.6 | Y1006 R1050 L1052 G1057 R1058 | Y1006-E1054 HydrophobicContact CE2-CB 4.43Å; R1050-E1054 VanDerWaalsContact CD-OE1 3.28Å; R1050-E1054 WeakPolarHBondContact CD-OE1 3.35Å; R1050-E1054 HydrophobicContact CG-CG 4.45Å; R1050-E1054 WeakPolarHBondContact CG-OE1 3.4Å; R1050-E1054 IonicContact NE-OE1 2.75Å; R1050-E1054 WeakPolarHBondContact O-CG 3.34Å; R1050-E1054 PolarHBondContact O-N 2.84Å; L1052-E1054 VanDerWaalsContact C-N 3.3Å; L1052-E1054 PolarHBondContact O-N 3.42Å; E1054-G1057 PolarHBondContact O-N 2.58Å; E1054-R1058 PolarHBondContact O-N 3.36Å; E1054-R1058 VanDerWaalsContact O-N 3.1Å |
| 1055 | S | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 176 | -75.4 | 0 | 0 | 0 | 0 | 113.1 | E1011 S1051 L1052 G1057 R1058 L1059 | E1011-S1055 VanDerWaalsContact CD-OG 3.32Å; E1011-S1055 WeakPolarHBondContact OE1-CB 3.43Å; E1011-S1055 PolarHBondContact OE1-OG 3.16Å; E1011-S1055 VanDerWaalsContact OE1-OG 3.1Å; E1011-S1055 WeakPolarHBondContact OE2-CA 3.47Å; E1011-S1055 WeakPolarHBondContact OE2-CB 3.44Å; E1011-S1055 PolarHBondContact OE2-OG 2.95Å; S1051-S1055 PolarHBondContact O-N 2.94Å; S1051-S1055 VanDerWaalsContact O-N 3.13Å; L1052-S1055 PolarHBondContact O-N 3.1Å; S1055-G1057 VanDerWaalsContact C-N 3.31Å; S1055-G1057 PolarHBondContact O-N 3.45Å; S1055-R1058 PolarHBondContact O-N 3.11Å; S1055-L1059 VanDerWaalsContact O-CB 3.32Å; S1055-L1059 WeakPolarHBondContact O-CB 3.08Å; S1055-L1059 VanDerWaalsContact O-CG 3.26Å; S1055-L1059 WeakPolarHBondContact O-CG 3.23Å; S1055-L1059 PolarHBondContact O-N 2.84Å |
| 1056 | L | 97.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 173.5 | -74.5 | 172.1 | 0 | 0 | 0 | 111.9 | L1052 K1060 L1061 Y1063 V1064 L1112 | L1052-L1056 HydrophobicContact CD1-CD1 4.35Å; L1052-L1056 HydrophobicContact CD1-CG 4.13Å; L1052-L1056 HydrophobicContact CG-CD1 4.01Å; L1052-L1056 HydrophobicContact CG-CG 4.29Å; L1052-L1056 WeakPolarHBondContact O-CB 3.08Å; L1052-L1056 VanDerWaalsContact O-CG 3.26Å; L1052-L1056 WeakPolarHBondContact O-CG 3.5Å; L1052-L1056 PolarHBondContact O-N 2.92Å; L1056-K1060 WeakPolarHBondContact O-CA 3.37Å; L1056-K1060 PolarHBondContact O-N 2.92Å; L1056-L1061 WeakPolarHBondContact CB-O 3.3Å; L1056-L1061 HydrophobicContact CD2-CB 4.34Å; L1056-L1061 WeakPolarHBondContact CD2-O 3.44Å; L1056-L1061 PolarHBondContact O-N 3.04Å; L1056-L1061 VanDerWaalsContact O-N 3.1Å; L1056-Y1063 VanDerWaalsContact CD2-C 3.45Å; L1056-V1064 HydrophobicContact CD2-CG1 3.81Å; L1056-L1112 HydrophobicContact CD1-CB 4.17Å; L1056-L1112 HydrophobicContact CD1-CD2 4.13Å |
| 1057 | G | 95.1 | Very high | 96.5 | Very high | 52 Ų | 52 | 36 Ų | 36 | 54% | 0.536 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1053 E1054 S1055 K1060 | K1053-G1057 PolarHBondContact O-N 3.28Å; E1054-G1057 PolarHBondContact O-N 2.58Å; S1055-G1057 VanDerWaalsContact C-N 3.31Å; S1055-G1057 PolarHBondContact O-N 3.45Å; G1057-K1060 PolarHBondContact O-N 3.01Å |
| 1058 | R | 97.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 22% | 0.219 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.2 | -48.6 | 175.9 | -65.6 | -179.4 | -171.3 | 153.5 | 4.8 | 111.9 | Y1006 E1011 D1012 E1054 S1055 K1060 | Y1006-R1058 PolarHBondContact OH-NH2 3.2Å; E1011-R1058 HydrophobicContact CB-CB 3.59Å; E1011-R1058 IonicContact OE2-NH1 3.75Å; D1012-R1058 WeakPolarHBondContact CA-O 3.14Å; D1012-R1058 WeakPolarHBondContact OD2-CD 3.39Å; D1012-R1058 WeakPolarHBondContact OD2-CG 3.35Å; E1054-R1058 PolarHBondContact O-N 3.36Å; E1054-R1058 VanDerWaalsContact O-N 3.1Å; S1055-R1058 PolarHBondContact O-N 3.11Å; R1058-K1060 PolarHBondContact O-N 2.93Å |
| 1059 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -16.5 | 176.7 | -68.5 | 171.5 | 0 | 0 | 0 | 113.2 | T1004 E1011 I1014 G1015 V1034 T1036 S1055 L1061 V1064 | T1004-L1059 HydrophobicContact CG2-CD2 4.17Å; E1011-L1059 HydrophobicContact CB-CD2 3.9Å; E1011-L1059 HydrophobicContact CB-CG 4.03Å; E1011-L1059 HydrophobicContact CG-CD2 4.14Å; E1011-L1059 HydrophobicContact CG-CG 4.3Å; I1014-L1059 HydrophobicContact CB-CD2 4.05Å; I1014-L1059 HydrophobicContact CG2-CD2 3.86Å; G1015-L1059 WeakPolarHBondContact CA-O 3.23Å; V1034-L1059 HydrophobicContact CG1-CD1 4.22Å; T1036-L1059 HydrophobicContact CG2-CD1 4.43Å; S1055-L1059 VanDerWaalsContact O-CB 3.32Å; S1055-L1059 WeakPolarHBondContact O-CB 3.08Å; S1055-L1059 VanDerWaalsContact O-CG 3.26Å; S1055-L1059 WeakPolarHBondContact O-CG 3.23Å; S1055-L1059 PolarHBondContact O-N 2.84Å; L1059-L1061 VanDerWaalsContact C-N 3.34Å; L1059-L1061 HydrophobicContact CB-CB 4.45Å; L1059-L1061 HydrophobicContact CB-CD1 4.11Å; L1059-L1061 HydrophobicContact CB-CG 3.99Å; L1059-V1064 HydrophobicContact CD1-CG1 3.99Å |
| 1060 | K | 96 | Very high | 96.7 | Very high | 83 Ų | 83 | 34.3 Ų | 34.3 | 36% | 0.361 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 46.2 | -176.8 | -60.5 | 155.8 | -169.1 | 163.2 | 0 | 111.1 | Q1019 L1056 G1057 R1058 | Q1019-K1060 HydrophobicContact CG-CB 3.97Å; Q1019-K1060 HydrophobicContact CG-CD 4.45Å; Q1019-K1060 PolarHBondContact NE2-O 2.67Å; L1056-K1060 WeakPolarHBondContact O-CA 3.37Å; L1056-K1060 PolarHBondContact O-N 2.92Å; G1057-K1060 PolarHBondContact O-N 3.01Å; R1058-K1060 PolarHBondContact O-N 2.93Å |
| 1061 | L | 96.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | trans | -128.9 | 148.2 | -178.6 | -59.6 | -177.1 | 0 | 0 | 0 | 111 | L1018 F1022 V1034 L1056 L1059 | L1018-L1061 HydrophobicContact CD1-CD1 4.44Å; F1022-L1061 HydrophobicContact CE2-CD2 3.98Å; F1022-L1061 HydrophobicContact CZ-CD2 4.39Å; V1034-L1061 HydrophobicContact CB-CD1 4.23Å; V1034-L1061 HydrophobicContact CG1-CD1 4.08Å; V1034-L1061 HydrophobicContact CG2-CD1 3.96Å; L1056-L1061 WeakPolarHBondContact CB-O 3.3Å; L1056-L1061 HydrophobicContact CD2-CB 4.34Å; L1056-L1061 WeakPolarHBondContact CD2-O 3.44Å; L1056-L1061 PolarHBondContact O-N 3.04Å; L1056-L1061 VanDerWaalsContact O-N 3.1Å; L1059-L1061 VanDerWaalsContact C-N 3.34Å; L1059-L1061 HydrophobicContact CB-CB 4.45Å; L1059-L1061 HydrophobicContact CB-CD1 4.11Å; L1059-L1061 HydrophobicContact CB-CG 3.99Å | ||
| 1062 | D | 93.5 | Very high | 96.3 | Very high | 145 Ų | 145 | 31.8 Ų | 31.8 | 78% | 0.775 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -77.3 | -27.8 | 175.1 | -50.5 | -71.9 | 0 | 0 | 0 | 113.2 | ||
| 1063 | Y | 97.9 | Very high | 95.7 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | trans | -150.3 | 158 | 178.7 | 72.9 | -88.3 | 0 | 0 | 0 | 111.9 | R1029 L1056 L1112 R1114 | R1029-Y1063 HydrophobicContact CG-CE1 3.99Å; R1029-Y1063 VanDerWaalsContact CZ-CE2 3.4Å; R1029-Y1063 PolarHBondContact NH2-O 3.24Å; L1056-Y1063 VanDerWaalsContact CD2-C 3.45Å; Y1063-L1112 WeakPolarHBondContact CA-O 3.46Å; Y1063-R1114 HydrophobicContact CD2-CG 3.89Å; Y1063-R1114 HydrophobicContact CE2-CG 4.11Å | ||
| 1064 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -106.5 | 156.2 | 165.5 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | V1034 T1036 L1052 L1056 L1059 F1067 L1112 T1113 R1114 | V1034-V1064 HydrophobicContact CG1-CG1 4.31Å; T1036-V1064 HydrophobicContact CG2-CG1 4.02Å; T1036-V1064 HydrophobicContact CG2-CG2 4.44Å; L1052-V1064 HydrophobicContact CD1-CG2 3.88Å; L1056-V1064 HydrophobicContact CD2-CG1 3.81Å; L1059-V1064 HydrophobicContact CD1-CG1 3.99Å; V1064-F1067 HydrophobicContact CG2-CB 4.2Å; V1064-L1112 PolarHBondContact N-O 3.36Å; V1064-L1112 VanDerWaalsContact N-O 3.16Å; V1064-T1113 CarbonylContact O-C 3.55Å; V1064-T1113 WeakPolarHBondContact O-CA 3.28Å; V1064-T1113 PolarHBondContact O-OG1 3.47Å; V1064-R1114 PolarHBondContact O-N 2.7Å |
| 1065 | D | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -82.5 | -28.4 | 179.9 | -61.4 | -83.9 | 0 | 0 | 0 | 111.7 | L970 R1029 L1032 F1033 V1034 R1114 S1115 | L970-D1065 HydrophobicContact CD2-CB 4.28Å; R1029-D1065 IonicContact CZ-OD2 2.73Å; R1029-D1065 IonicContact NH1-OD1 2.71Å; R1029-D1065 IonicContact NH1-OD2 3.72Å; R1029-D1065 PolarHBondContact NH1-OD2 3.03Å; R1029-D1065 IonicContact NH2-OD2 3.95Å; R1029-D1065 PolarHBondContact NH2-OD2 3.19Å; L1032-D1065 VanDerWaalsContact O-OD2 3.12Å; F1033-D1065 WeakPolarHBondContact CA-OD2 3.28Å; F1033-D1065 HydrophobicContact CB-CB 4.5Å; F1033-D1065 HydrophobicContact CD1-CB 3.91Å; F1033-D1065 HydrophobicContact CD2-CB 3.79Å; F1033-D1065 HydrophobicContact CE1-CB 3.98Å; F1033-D1065 HydrophobicContact CE2-CB 3.88Å; F1033-D1065 HydrophobicContact CG-CB 3.81Å; F1033-D1065 HydrophobicContact CZ-CB 3.95Å; V1034-D1065 PolarHBondContact N-OD2 2.88Å; V1034-D1065 PolarHBondContact O-N 3.18Å; D1065-R1114 CarbonylContact O-C 3.54Å; D1065-R1114 WeakPolarHBondContact OD1-CD 2.96Å; D1065-R1114 IonicContact OD1-CZ 2.67Å; D1065-R1114 IonicContact OD1-NE 3.04Å; D1065-R1114 IonicContact OD1-NH1 3.58Å; D1065-R1114 PolarHBondContact OD1-NH1 3.48Å; D1065-S1115 VanDerWaalsContact O-CB 3.25Å; D1065-S1115 WeakPolarHBondContact O-CB 3.15Å; D1065-S1115 PolarHBondContact O-N 3.23Å |
| 1066 | L | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.9 | 177.5 | -179.6 | 60.5 | 0 | 0 | 0 | 111.4 | M972 F1033 V1034 T1035 T1036 L1068 S1115 N1139 | M972-L1066 HydrophobicContact CE-CD2 4.01Å; M972-L1066 HydrophobicContact SD-CD2 4.28Å; F1033-L1066 HydrophobicContact CE1-CB 3.59Å; F1033-L1066 HydrophobicContact CE1-CD2 4.11Å; F1033-L1066 HydrophobicContact CZ-CB 3.84Å; F1033-L1066 HydrophobicContact CZ-CD2 4.38Å; V1034-L1066 PolarHBondContact O-N 2.8Å; V1034-L1066 VanDerWaalsContact O-N 3.13Å; T1035-L1066 WeakPolarHBondContact CA-O 3.36Å; T1035-L1066 HydrophobicContact CG2-CB 4.17Å; T1035-L1066 HydrophobicContact CG2-CD2 3.97Å; T1035-L1066 HydrophobicContact CG2-CG 4.03Å; T1036-L1066 PolarHBondContact N-O 2.83Å; T1036-L1066 VanDerWaalsContact N-O 3.16Å; L1066-L1068 HydrophobicContact CD1-CD2 3.76Å; L1066-L1068 HydrophobicContact CD2-CD2 3.98Å; L1066-L1068 HydrophobicContact CD2-CG 4.39Å; L1066-L1068 HydrophobicContact CG-CD2 3.75Å; L1066-L1068 HydrophobicContact CG-CG 4.12Å; L1066-S1115 WeakPolarHBondContact CA-O 3.34Å; L1066-N1139 HydrophobicContact CD1-CB 4.1Å; L1066-N1139 HydrophobicContact CD2-CB 3.79Å |
| 1067 | F | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.9 | 173 | -170.4 | -132.8 | 0 | 0 | 0 | 110.3 | T1036 L1038 V1048 L1052 V1064 M1104 V1107 T1113 S1115 I1116 G1117 | T1036-F1067 HydrophobicContact CG2-CD2 3.84Å; T1036-F1067 HydrophobicContact CG2-CE2 4.12Å; T1036-F1067 WeakPolarHBondContact O-CA 3.35Å; L1038-F1067 HydrophobicContact CB-CE1 4.17Å; L1038-F1067 HydrophobicContact CB-CE2 4.21Å; L1038-F1067 HydrophobicContact CB-CZ 3.68Å; L1038-F1067 HydrophobicContact CD1-CE1 4.31Å; L1038-F1067 HydrophobicContact CD1-CZ 3.88Å; L1038-F1067 HydrophobicContact CG-CZ 4.4Å; V1048-F1067 HydrophobicContact CG1-CE1 3.86Å; L1052-F1067 HydrophobicContact CB-CE1 3.98Å; L1052-F1067 HydrophobicContact CB-CE2 4.32Å; L1052-F1067 HydrophobicContact CB-CZ 3.85Å; L1052-F1067 HydrophobicContact CD1-CD1 4.44Å; L1052-F1067 HydrophobicContact CD1-CD2 3.8Å; L1052-F1067 HydrophobicContact CD1-CE2 3.9Å; L1052-F1067 HydrophobicContact CD1-CG 4.08Å; L1052-F1067 HydrophobicContact CD1-CZ 4.26Å; L1052-F1067 HydrophobicContact CD2-CD1 4.08Å; L1052-F1067 HydrophobicContact CD2-CE1 4.31Å; L1052-F1067 HydrophobicContact CD2-CG 4.35Å; L1052-F1067 HydrophobicContact CG-CE1 4.5Å; L1052-F1067 HydrophobicContact CG-CZ 4.5Å; V1064-F1067 HydrophobicContact CG2-CB 4.2Å; F1067-M1104 HydrophobicContact CB-CE 4.26Å; F1067-M1104 HydrophobicContact CD1-CE 3.43Å; F1067-M1104 VanDerWaalsContact CD1-CE 3.43Å; F1067-M1104 HydrophobicContact CD1-SD 3.74Å; F1067-M1104 HydrophobicContact CE1-CE 4.03Å; F1067-M1104 HydrophobicContact CE1-SD 3.78Å; F1067-M1104 HydrophobicContact CG-CE 3.98Å; F1067-M1104 WeakPolarHBondContact O-CE 3.48Å; F1067-V1107 HydrophobicContact CD1-CG2 4.03Å; F1067-V1107 HydrophobicContact CE1-CG2 4.39Å; F1067-T1113 HydrophobicContact CB-CG2 4.09Å; F1067-T1113 PolarHBondContact N-OG1 3.33Å; F1067-S1115 PolarHBondContact N-O 3.04Å; F1067-I1116 CarbonylContact O-C 3Å; F1067-I1116 VanDerWaalsContact O-CA 3.31Å; F1067-I1116 WeakPolarHBondContact O-CA 3.37Å; F1067-G1117 PolarHBondContact O-N 3.25Å |
| 1068 | L | 98.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.6 | -174.8 | -55.4 | 176.8 | 0 | 0 | 0 | 112.3 | T1035 T1036 K1037 L1038 L1066 H1070 G1117 N1139 Q1141 | T1035-L1068 HydrophobicContact CG2-CD1 3.84Å; T1035-L1068 HydrophobicContact CG2-CG 4.1Å; T1036-L1068 PolarHBondContact O-N 3.12Å; K1037-L1068 CarbonylContact C-O 3.58Å; K1037-L1068 WeakPolarHBondContact CA-O 3.35Å; K1037-L1068 HydrophobicContact CB-CB 4.37Å; K1037-L1068 HydrophobicContact CD-CD1 4.43Å; K1037-L1068 HydrophobicContact CG-CB 4.09Å; K1037-L1068 HydrophobicContact CG-CD1 4.4Å; L1038-L1068 PolarHBondContact N-O 2.87Å; L1066-L1068 HydrophobicContact CD1-CD2 3.76Å; L1066-L1068 HydrophobicContact CD2-CD2 3.98Å; L1066-L1068 HydrophobicContact CD2-CG 4.39Å; L1066-L1068 HydrophobicContact CG-CD2 3.75Å; L1066-L1068 HydrophobicContact CG-CG 4.12Å; L1068-H1070 PolarHBondContact O-N 2.65Å; L1068-G1117 WeakPolarHBondContact CA-O 3.43Å; L1068-G1117 VanDerWaalsContact CD2-C 3.45Å; L1068-G1117 VanDerWaalsContact CD2-CA 3.48Å; L1068-N1139 HydrophobicContact CD2-CB 4.33Å; L1068-Q1141 HydrophobicContact CD1-CB 3.77Å |
| 1069 | V | 97.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 116.1 | 161 | -175.6 | 0 | 0 | 0 | 0 | 108 | A1071 T1100 M1104 G1117 L1118 S1119 F1121 | V1069-A1071 WeakPolarHBondContact CG1-O 3.43Å; V1069-A1071 PolarHBondContact O-N 3.36Å; V1069-T1100 HydrophobicContact CG1-CG2 4.42Å; V1069-T1100 HydrophobicContact CG2-CG2 4.19Å; V1069-M1104 HydrophobicContact CG2-CE 3.99Å; V1069-M1104 HydrophobicContact CG2-CG 3.86Å; V1069-M1104 HydrophobicContact CG2-SD 3.82Å; V1069-G1117 PolarHBondContact N-O 3.31Å; V1069-L1118 HydrophobicContact CB-CD2 3.94Å; V1069-L1118 HydrophobicContact CG2-CD2 3.86Å; V1069-S1119 WeakPolarHBondContact O-CA 3.12Å; V1069-S1119 VanDerWaalsContact O-CB 3.3Å; V1069-S1119 WeakPolarHBondContact O-CB 3.33Å; V1069-S1119 PolarHBondContact O-N 2.84Å; V1069-F1121 HydrophobicContact CB-CE2 4.13Å; V1069-F1121 HydrophobicContact CB-CZ 4.48Å; V1069-F1121 HydrophobicContact CG1-CE2 3.94Å; V1069-F1121 HydrophobicContact CG1-CZ 4.17Å |
| 1070 | H | 94.4 | Very high | 91 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -64.5 | -35.6 | -166.8 | -161.4 | 126 | 0 | 0 | 0 | 113.8 | V1007 Y1008 K1037 L1038 L1068 S1119 N1120 | V1007-H1070 WeakPolarHBondContact CG2-CE1 3.38Å; Y1008-H1070 AromaticContact CE1-CE1 3.75Å; K1037-H1070 HydrophobicContact CB-CB 3.9Å; L1038-H1070 WeakPolarHBondContact O-CB 3.48Å; L1038-H1070 PolarHBondContact O-N 3.08Å; L1068-H1070 PolarHBondContact O-N 2.65Å; H1070-S1119 CarbonylContact C-O 3.58Å; H1070-S1119 CarbonylContact O-C 2.94Å; H1070-S1119 WeakPolarHBondContact O-CB 3.4Å; H1070-S1119 VanDerWaalsContact O-O 3.1Å; H1070-S1119 PolarHBondContact O-OG 2.7Å; H1070-N1120 PolarHBondContact O-ND2 3.07Å |
| 1071 | A | 89.4 | Confident | 90 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 13% | 0.132 | 23% | 0.234 | C | C | . | . | trans | -149.6 | 154.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1040 H1043 V1069 L1073 S1119 | M1040-A1071 HydrophobicContact CG-CB 4.18Å; M1040-A1071 HydrophobicContact SD-CB 4.18Å; H1043-A1071 PolarHBondContact CE1-O 3.47Å; H1043-A1071 VanDerWaalsContact CE1-O 3.29Å; V1069-A1071 WeakPolarHBondContact CG1-O 3.43Å; V1069-A1071 PolarHBondContact O-N 3.36Å; A1071-L1073 PolarHBondContact O-N 3.46Å; A1071-S1119 WeakPolarHBondContact CA-O 2.98Å | ||
| 1072 | P | 89.6 | Confident | 89.2 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -75.4 | 32.9 | 176.7 | 33.7 | -38.9 | 0 | 0 | 0 | 113.4 | N1120 F1121 Q1125 | P1072-N1120 VanDerWaalsContact CD-O 3.29Å; P1072-N1120 WeakPolarHBondContact CD-O 3.36Å; P1072-N1120 WeakPolarHBondContact CG-O 3.37Å; P1072-F1121 VanDerWaalsContact CA-CE2 3.42Å; P1072-F1121 HydrophobicContact CB-CD1 4.09Å; P1072-F1121 HydrophobicContact CB-CD2 3.69Å; P1072-F1121 HydrophobicContact CB-CE1 3.99Å; P1072-F1121 HydrophobicContact CB-CE2 3.6Å; P1072-F1121 HydrophobicContact CB-CG 3.92Å; P1072-F1121 HydrophobicContact CB-CZ 3.74Å; P1072-F1121 HydrophobicContact CG-CD2 4.21Å; P1072-F1121 HydrophobicContact CG-CE2 4.45Å; P1072-Q1125 HydrophobicContact CB-CG 4.4Å |
| 1073 | L | 86.1 | Confident | 88.8 | Confident | 72 Ų | 72 | 42.1 Ų | 42.1 | 38% | 0.377 | 22% | 0.224 | S | C | . | . | trans | -138.5 | 111.2 | -170.2 | -179.6 | 56.5 | 0 | 0 | 0 | 109.9 | M1040 H1043 A1071 V1090 P1092 | M1040-L1073 WeakPolarHBondContact CB-O 3.35Å; M1040-L1073 WeakPolarHBondContact CG-O 3.38Å; H1043-L1073 PolarHBondContact CE1-O 3.25Å; A1071-L1073 PolarHBondContact O-N 3.46Å; L1073-V1090 HydrophobicContact CD2-CG1 3.47Å; L1073-V1090 VanDerWaalsContact CD2-CG1 3.47Å; L1073-V1090 HydrophobicContact CG-CG1 4.17Å; L1073-P1092 HydrophobicContact CD1-CB 4.25Å | ||
| 1074 | S | 88.8 | Confident | 88.1 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | trans | -76.6 | 136.1 | 167.9 | 26.8 | 0 | 0 | 0 | 0 | 109.6 | M1040 P1092 D1093 V1095 | M1040-S1074 WeakPolarHBondContact O-CA 3.29Å; S1074-P1092 WeakPolarHBondContact O-CA 3.27Å; S1074-D1093 PolarHBondContact O-N 2.91Å; S1074-D1093 PolarHBondContact OG-O 3.42Å; S1074-D1093 VanDerWaalsContact OG-O 3.11Å; S1074-V1095 PolarHBondContact OG-O 3.3Å | ||
| 1075 | A | 89.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -126.9 | 153.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1040 H1041 A1083 V1090 V1091 | M1040-A1075 HydrophobicContact CB-CB 3.75Å; M1040-A1075 PolarHBondContact O-N 3.05Å; H1041-A1075 WeakPolarHBondContact CA-O 3.37Å; A1075-A1083 HydrophobicContact CB-CB 3.75Å; A1075-V1090 HydrophobicContact CB-CG1 4.43Å; A1075-V1090 HydrophobicContact CB-CG2 3.6Å; A1075-V1091 CarbonylContact C-O 3.53Å; A1075-V1091 VanDerWaalsContact CA-O 3.27Å; A1075-V1091 WeakPolarHBondContact CA-O 3.39Å |
| 1076 | K | 85.6 | Confident | 85.7 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | trans | -76.3 | 160 | 173.2 | -66.1 | -172.4 | -176.3 | 178.1 | 0 | 110.7 | A1083 D1084 V1091 P1092 D1093 | K1076-A1083 CarbonylContact O-C 3.51Å; K1076-A1083 WeakPolarHBondContact O-CA 3.37Å; K1076-D1084 VanDerWaalsContact C-OD2 3.25Å; K1076-D1084 WeakPolarHBondContact CB-OD2 3.49Å; K1076-D1084 PolarHBondContact O-N 2.85Å; K1076-V1091 HydrophobicContact CB-CB 4.48Å; K1076-V1091 HydrophobicContact CB-CG1 4.28Å; K1076-V1091 HydrophobicContact CD-CG1 3.98Å; K1076-V1091 HydrophobicContact CG-CG1 4.29Å; K1076-V1091 PolarHBondContact N-O 3.01Å; K1076-P1092 WeakPolarHBondContact CE-O 3.47Å; K1076-D1093 HydrophobicContact CG-CB 3.73Å | ||
| 1077 | T | 86.1 | Confident | 84.2 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 28% | 0.282 | 31% | 0.312 | S | S | . | . | trans | -143.2 | 130.3 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | H1041 D1079 G1080 R1082 D1084 | H1041-T1077 HydrophobicContact CB-CG2 3.86Å; T1077-D1079 PolarHBondContact OG1-N 2.85Å; T1077-D1079 PolarHBondContact OG1-OD1 3.48Å; T1077-D1079 VanDerWaalsContact OG1-OD1 3.12Å; T1077-G1080 WeakPolarHBondContact OG1-CA 3.31Å; T1077-G1080 PolarHBondContact OG1-N 3.48Å; T1077-R1082 WeakPolarHBondContact CB-O 3.43Å; T1077-R1082 PolarHBondContact OG1-O 3.21Å; T1077-D1084 VanDerWaalsContact C-OD2 3.3Å; T1077-D1084 VanDerWaalsContact CA-OD2 3.27Å; T1077-D1084 WeakPolarHBondContact CA-OD2 3.42Å; T1077-D1084 PolarHBondContact N-OD2 3.23Å; T1077-D1084 VanDerWaalsContact N-OD2 3.16Å | ||
| 1078 | S | 79.8 | Confident | 82.5 | Confident | 106 Ų | 106 | 65.7 Ų | 65.7 | 74% | 0.741 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -91.6 | -20.9 | 174.4 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | D1084 | S1078-D1084 VanDerWaalsContact CB-OD1 3.27Å; S1078-D1084 WeakPolarHBondContact CB-OD1 3.48Å; S1078-D1084 PolarHBondContact N-OD1 3.32Å; S1078-D1084 PolarHBondContact N-OD2 3.27Å; S1078-D1084 PolarHBondContact OG-OD1 3.3Å |
| 1079 | D | 77.1 | Confident | 80.6 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -110.1 | -8.4 | -178.4 | 78.3 | -18.3 | 0 | 0 | 0 | 114.5 | T1077 K1081 R1082 | T1077-D1079 PolarHBondContact OG1-N 2.85Å; T1077-D1079 PolarHBondContact OG1-OD1 3.48Å; T1077-D1079 VanDerWaalsContact OG1-OD1 3.12Å; D1079-K1081 VanDerWaalsContact C-N 3.28Å; D1079-K1081 PolarHBondContact O-N 3.04Å; D1079-K1081 PolarHBondContact OD1-N 3.23Å; D1079-R1082 PolarHBondContact OD1-N 3.05Å |
| 1080 | G | 71.1 | Confident | 79.8 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 75.2 | 6.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1077 | T1077-G1080 WeakPolarHBondContact OG1-CA 3.31Å; T1077-G1080 PolarHBondContact OG1-N 3.48Å |
| 1081 | K | 74.4 | Confident | 79.2 | Confident | 136 Ų | 136 | 74.1 Ų | 74.1 | 59% | 0.591 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -132.3 | -24.4 | -170 | -60.3 | 175.2 | -177.1 | 176.4 | 0 | 114.4 | Y1006 H1041 D1079 | Y1006-K1081 WeakPolarHBondContact CE1-O 3.36Å; Y1006-K1081 PolarHBondContact OH-O 2.82Å; H1041-K1081 PolarHBondContact CE1-O 3.38Å; H1041-K1081 PolarHBondContact NE2-O 3.08Å; D1079-K1081 VanDerWaalsContact C-N 3.28Å; D1079-K1081 PolarHBondContact O-N 3.04Å; D1079-K1081 PolarHBondContact OD1-N 3.23Å |
| 1082 | R | 80.4 | Confident | 78.8 | Confident | 139 Ų | 139 | 77.3 Ų | 77.3 | 53% | 0.525 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -135.4 | 155.8 | 177 | -70.3 | -176.5 | 177.4 | 150.2 | -4.4 | 109.9 | E1009 T1077 D1079 | E1009-R1082 IonicContact OE1-CZ 3.66Å; E1009-R1082 VanDerWaalsContact OE1-CZ 3.27Å; E1009-R1082 IonicContact OE1-NE 3.85Å; E1009-R1082 PolarHBondContact OE1-NE 2.85Å; E1009-R1082 IonicContact OE1-NH2 2.6Å; E1009-R1082 PolarHBondContact OE1-NH2 3.46Å; E1009-R1082 IonicContact OE2-CZ 3.56Å; E1009-R1082 IonicContact OE2-NH2 3.42Å; E1009-R1082 PolarHBondContact OE2-NH2 2.67Å; T1077-R1082 WeakPolarHBondContact CB-O 3.43Å; T1077-R1082 PolarHBondContact OG1-O 3.21Å; D1079-R1082 PolarHBondContact OD1-N 3.05Å |
| 1083 | A | 85.3 | Confident | 78.6 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | trans | -76.8 | 143.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | M1040 H1041 A1075 K1076 F1085 V1090 | M1040-A1083 HydrophobicContact CE-CB 4.44Å; H1041-A1083 HydrophobicContact CB-CB 4.41Å; H1041-A1083 PolarHBondContact ND1-N 2.83Å; A1075-A1083 HydrophobicContact CB-CB 3.75Å; K1076-A1083 CarbonylContact O-C 3.51Å; K1076-A1083 WeakPolarHBondContact O-CA 3.37Å; A1083-F1085 HydrophobicContact CB-CE2 4.24Å; A1083-F1085 WeakPolarHBondContact O-CD2 3.49Å; A1083-F1085 WeakPolarHBondContact O-CE2 3.21Å; A1083-V1090 HydrophobicContact CB-CG2 3.51Å | ||
| 1084 | D | 82.3 | Confident | 78.5 | Confident | 39 Ų | 39 | 81.5 Ų | 81.5 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | trans | -72.3 | 137.8 | 175.7 | -60.4 | -39.3 | 0 | 0 | 0 | 110.3 | K1076 T1077 S1078 V1090 V1091 | K1076-D1084 VanDerWaalsContact C-OD2 3.25Å; K1076-D1084 WeakPolarHBondContact CB-OD2 3.49Å; K1076-D1084 PolarHBondContact O-N 2.85Å; T1077-D1084 VanDerWaalsContact C-OD2 3.3Å; T1077-D1084 VanDerWaalsContact CA-OD2 3.27Å; T1077-D1084 WeakPolarHBondContact CA-OD2 3.42Å; T1077-D1084 PolarHBondContact N-OD2 3.23Å; T1077-D1084 VanDerWaalsContact N-OD2 3.16Å; S1078-D1084 VanDerWaalsContact CB-OD1 3.27Å; S1078-D1084 WeakPolarHBondContact CB-OD1 3.48Å; S1078-D1084 PolarHBondContact N-OD1 3.32Å; S1078-D1084 PolarHBondContact N-OD2 3.27Å; S1078-D1084 PolarHBondContact OG-OD1 3.3Å; D1084-V1090 CarbonylContact O-C 2.96Å; D1084-V1090 WeakPolarHBondContact O-CA 3.28Å; D1084-V1090 VanDerWaalsContact O-CG2 3.3Å; D1084-V1090 WeakPolarHBondContact O-CG2 3.39Å; D1084-V1091 HydrophobicContact CB-CB 4.11Å; D1084-V1091 HydrophobicContact CB-CG2 3.97Å; D1084-V1091 PolarHBondContact O-N 3.16Å | ||
| 1085 | F | 77 | Confident | 78.5 | Confident | 121 Ų | 121 | 81.9 Ų | 81.9 | 53% | 0.531 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140 | 175.5 | -72.4 | -97.4 | 0 | 0 | 0 | 111 | M1040 A1083 H1089 V1090 | M1040-F1085 HydrophobicContact CE-CZ 4.45Å; A1083-F1085 HydrophobicContact CB-CE2 4.24Å; A1083-F1085 WeakPolarHBondContact O-CD2 3.49Å; A1083-F1085 WeakPolarHBondContact O-CE2 3.21Å; F1085-H1089 CarbonylContact C-O 3.45Å; F1085-H1089 WeakPolarHBondContact CA-O 3.46Å; F1085-V1090 HydrophobicContact CD1-CB 4.04Å; F1085-V1090 HydrophobicContact CD1-CG2 4.37Å; F1085-V1090 HydrophobicContact CD2-CG2 4.47Å; F1085-V1090 HydrophobicContact CE1-CB 3.77Å; F1085-V1090 HydrophobicContact CE1-CG2 4.06Å; F1085-V1090 HydrophobicContact CE2-CG2 4.16Å; F1085-V1090 HydrophobicContact CZ-CB 4.14Å; F1085-V1090 HydrophobicContact CZ-CG2 3.95Å |
| 1086 | V | 68.5 | Low | 78.4 | Confident | 89 Ų | 89 | 85 Ų | 85 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 120 | 171.6 | 174.2 | 0 | 0 | 0 | 0 | 107.6 | D1088 H1089 V1091 | V1086-D1088 VanDerWaalsContact C-N 3.35Å; V1086-D1088 PolarHBondContact O-N 2.87Å; V1086-H1089 PolarHBondContact N-O 3.14Å; V1086-H1089 PolarHBondContact O-N 3.28Å; V1086-H1089 VanDerWaalsContact O-N 3.13Å; V1086-V1091 HydrophobicContact CB-CG2 4.27Å; V1086-V1091 HydrophobicContact CG2-CG2 3.69Å |
| 1087 | N | 68.6 | Low | 78.4 | Confident | 143 Ų | 143 | 81.8 Ų | 81.8 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 50.5 | -176.4 | -54.2 | -21.5 | 0 | 0 | 0 | 112.4 | H1089 | N1087-H1089 PolarHBondContact O-CD2 3.49Å; N1087-H1089 VanDerWaalsContact O-CD2 3.23Å; N1087-H1089 PolarHBondContact O-N 2.83Å |
| 1088 | D | 61.6 | Low | 78.7 | Confident | 154 Ų | 154 | 80.8 Ų | 80.8 | 82% | 0.824 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -0.1 | -175.9 | -59.1 | -34.5 | 0 | 0 | 0 | 116.8 | V1086 | V1086-D1088 VanDerWaalsContact C-N 3.35Å; V1086-D1088 PolarHBondContact O-N 2.87Å |
| 1089 | H | 59.5 | Low | 79.3 | Confident | 148 Ų | 148 | 79.3 Ų | 79.3 | 69% | 0.685 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.9 | 169.3 | -63.9 | -69.6 | 0 | 0 | 0 | 110.7 | F1085 V1086 N1087 | F1085-H1089 CarbonylContact C-O 3.45Å; F1085-H1089 WeakPolarHBondContact CA-O 3.46Å; V1086-H1089 PolarHBondContact N-O 3.14Å; V1086-H1089 PolarHBondContact O-N 3.28Å; V1086-H1089 VanDerWaalsContact O-N 3.13Å; N1087-H1089 PolarHBondContact O-CD2 3.49Å; N1087-H1089 VanDerWaalsContact O-CD2 3.23Å; N1087-H1089 PolarHBondContact O-N 2.83Å |
| 1090 | V | 80.1 | Confident | 80.2 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 137.6 | 176.5 | 81.4 | 0 | 0 | 0 | 0 | 110.1 | M1040 L1073 A1075 A1083 D1084 F1085 P1092 | M1040-V1090 HydrophobicContact CE-CB 4.42Å; M1040-V1090 HydrophobicContact CE-CG1 4.45Å; M1040-V1090 HydrophobicContact CE-CG2 4.01Å; M1040-V1090 HydrophobicContact SD-CG1 4.33Å; L1073-V1090 HydrophobicContact CD2-CG1 3.47Å; L1073-V1090 VanDerWaalsContact CD2-CG1 3.47Å; L1073-V1090 HydrophobicContact CG-CG1 4.17Å; A1075-V1090 HydrophobicContact CB-CG1 4.43Å; A1075-V1090 HydrophobicContact CB-CG2 3.6Å; A1083-V1090 HydrophobicContact CB-CG2 3.51Å; D1084-V1090 CarbonylContact O-C 2.96Å; D1084-V1090 WeakPolarHBondContact O-CA 3.28Å; D1084-V1090 VanDerWaalsContact O-CG2 3.3Å; D1084-V1090 WeakPolarHBondContact O-CG2 3.39Å; F1085-V1090 HydrophobicContact CD1-CB 4.04Å; F1085-V1090 HydrophobicContact CD1-CG2 4.37Å; F1085-V1090 HydrophobicContact CD2-CG2 4.47Å; F1085-V1090 HydrophobicContact CE1-CB 3.77Å; F1085-V1090 HydrophobicContact CE1-CG2 4.06Å; F1085-V1090 HydrophobicContact CE2-CG2 4.16Å; F1085-V1090 HydrophobicContact CZ-CB 4.14Å; F1085-V1090 HydrophobicContact CZ-CG2 3.95Å; V1090-P1092 WeakPolarHBondContact O-CD 3.34Å |
| 1091 | V | 82.6 | Confident | 81.5 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | trans | -76.1 | 115.6 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 109 | A1075 K1076 D1084 V1086 | A1075-V1091 CarbonylContact C-O 3.53Å; A1075-V1091 VanDerWaalsContact CA-O 3.27Å; A1075-V1091 WeakPolarHBondContact CA-O 3.39Å; K1076-V1091 HydrophobicContact CB-CB 4.48Å; K1076-V1091 HydrophobicContact CB-CG1 4.28Å; K1076-V1091 HydrophobicContact CD-CG1 3.98Å; K1076-V1091 HydrophobicContact CG-CG1 4.29Å; K1076-V1091 PolarHBondContact N-O 3.01Å; D1084-V1091 HydrophobicContact CB-CB 4.11Å; D1084-V1091 HydrophobicContact CB-CG2 3.97Å; D1084-V1091 PolarHBondContact O-N 3.16Å; V1086-V1091 HydrophobicContact CB-CG2 4.27Å; V1086-V1091 HydrophobicContact CG2-CG2 3.69Å | ||
| 1092 | P | 80.6 | Confident | 82.5 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 146.8 | -176.7 | 28.8 | -35.1 | 0 | 0 | 0 | 112.2 | L1073 S1074 K1076 V1090 | L1073-P1092 HydrophobicContact CD1-CB 4.25Å; S1074-P1092 WeakPolarHBondContact O-CA 3.27Å; K1076-P1092 WeakPolarHBondContact CE-O 3.47Å; V1090-P1092 WeakPolarHBondContact O-CD 3.34Å |
| 1093 | D | 86 | Confident | 83.3 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | trans | -113 | 152.3 | 168.6 | -160.3 | -5.1 | 0 | 0 | 0 | 109.8 | R1044 S1074 K1076 V1095 | R1044-D1093 IonicContact CZ-OD2 3.52Å; R1044-D1093 IonicContact NH1-OD2 2.86Å; R1044-D1093 PolarHBondContact NH1-OD2 3.42Å; R1044-D1093 IonicContact NH2-OD1 3.64Å; R1044-D1093 PolarHBondContact NH2-OD1 3.46Å; R1044-D1093 IonicContact NH2-OD2 3.17Å; R1044-D1093 PolarHBondContact NH2-OD2 2.94Å; S1074-D1093 PolarHBondContact O-N 2.91Å; S1074-D1093 PolarHBondContact OG-O 3.42Å; S1074-D1093 VanDerWaalsContact OG-O 3.11Å; K1076-D1093 HydrophobicContact CG-CB 3.73Å; D1093-V1095 VanDerWaalsContact C-N 3.34Å; D1093-V1095 PolarHBondContact O-N 2.97Å; D1093-V1095 VanDerWaalsContact O-N 3.15Å | ||
| 1094 | N | 84.6 | Confident | 83.9 | Confident | 162 Ų | 162 | 64 Ų | 64 | 87% | 0.866 | 33% | 0.334 | S | S | * | . | trans | -93.5 | 65 | -174.3 | -166.1 | 18.2 | 0 | 0 | 0 | 111.2 | ||||
| 1095 | V | 87.3 | Confident | 84.6 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 13% | 0.133 | 33% | 0.33 | C | S | . | . | trans | -112.7 | 118.4 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | H1043 R1044 S1074 D1093 H1097 | H1043-V1095 HydrophobicContact CB-CB 4.38Å; H1043-V1095 HydrophobicContact CB-CG1 4.25Å; H1043-V1095 WeakPolarHBondContact O-CG1 3.42Å; R1044-V1095 HydrophobicContact CG-CG1 4.35Å; R1044-V1095 HydrophobicContact CG-CG2 3.88Å; S1074-V1095 PolarHBondContact OG-O 3.3Å; D1093-V1095 VanDerWaalsContact C-N 3.34Å; D1093-V1095 PolarHBondContact O-N 2.97Å; D1093-V1095 VanDerWaalsContact O-N 3.15Å; V1095-H1097 PolarHBondContact O-N 3.34Å | ||
| 1096 | D | 87.5 | Confident | 85.6 | Confident | 66 Ų | 66 | 59.6 Ų | 59.6 | 35% | 0.353 | 32% | 0.316 | S | S | . | . | trans | -65.4 | 127.6 | 177.1 | -168.2 | -35.2 | 0 | 0 | 0 | 110.9 | L1098 E1099 T1100 R1128 | D1096-L1098 PolarHBondContact O-N 2.72Å; D1096-L1098 VanDerWaalsContact O-N 3.08Å; D1096-L1098 WeakPolarHBondContact OD1-CB 3.4Å; D1096-L1098 PolarHBondContact OD1-N 3.15Å; D1096-E1099 PolarHBondContact O-N 3.04Å; D1096-T1100 PolarHBondContact O-N 3.43Å; D1096-T1100 PolarHBondContact O-OG1 3.14Å; D1096-R1128 IonicContact OD1-CZ 3.9Å; D1096-R1128 IonicContact OD1-NH1 2.71Å; D1096-R1128 PolarHBondContact OD1-NH1 2.89Å; D1096-R1128 IonicContact OD1-NH2 2.73Å; D1096-R1128 PolarHBondContact OD1-NH2 3.06Å; D1096-R1128 IonicContact OD2-CZ 3.79Å; D1096-R1128 IonicContact OD2-NH1 3.12Å; D1096-R1128 PolarHBondContact OD2-NH1 3.23Å; D1096-R1128 IonicContact OD2-NH2 3.69Å; D1096-R1128 PolarHBondContact OD2-NH2 2.97Å | ||
| 1097 | H | 86.9 | Confident | 87 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -14.6 | 177.9 | 56.7 | -112.9 | 0 | 0 | 0 | 114.1 | V1095 W1101 F1121 R1128 | V1095-H1097 PolarHBondContact O-N 3.34Å; H1097-W1101 VanDerWaalsContact O-CB 3.31Å; H1097-W1101 WeakPolarHBondContact O-CB 3.37Å; H1097-W1101 PolarHBondContact O-N 3.14Å; H1097-F1121 HydrophobicContact CB-CZ 4.44Å; H1097-R1128 PolarHBondContact CD2-NH1 2.87Å; H1097-R1128 PolarHBondContact CE1-NH1 3.48Å; H1097-R1128 VanDerWaalsContact CE1-NH1 3.27Å; H1097-R1128 WeakPolarHBondContact NE2-CD 3.21Å; H1097-R1128 PolarHBondContact NE2-NH1 3.33Å |
| 1098 | L | 91.8 | Very high | 88.3 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -75 | -31.8 | 170.2 | -62.7 | -179.4 | 0 | 0 | 0 | 112.8 | D1096 W1101 K1102 R1128 V1129 N1132 | D1096-L1098 PolarHBondContact O-N 2.72Å; D1096-L1098 VanDerWaalsContact O-N 3.08Å; D1096-L1098 WeakPolarHBondContact OD1-CB 3.4Å; D1096-L1098 PolarHBondContact OD1-N 3.15Å; L1098-W1101 PolarHBondContact O-N 3.45Å; L1098-K1102 WeakPolarHBondContact O-CG 3.47Å; L1098-K1102 PolarHBondContact O-N 3.32Å; L1098-R1128 HydrophobicContact CD1-CG 4.48Å; L1098-V1129 HydrophobicContact CD2-CG2 4.45Å; L1098-N1132 HydrophobicContact CD1-CB 3.9Å; L1098-N1132 HydrophobicContact CD2-CB 3.73Å; L1098-N1132 HydrophobicContact CG-CB 4.46Å |
| 1099 | E | 91.6 | Very high | 89.9 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.2 | -34.8 | 169.3 | -70.1 | -54.6 | 135 | 0 | 0 | 111.3 | D1096 W1101 K1102 G1103 | D1096-E1099 PolarHBondContact O-N 3.04Å; E1099-W1101 VanDerWaalsContact C-N 3.32Å; E1099-K1102 PolarHBondContact O-N 3.28Å; E1099-K1102 IonicContact OE1-NZ 2.73Å; E1099-K1102 PolarHBondContact OE1-NZ 2.98Å; E1099-G1103 PolarHBondContact O-N 3.12Å |
| 1100 | T | 96 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 167.2 | -46.9 | 0 | 0 | 0 | 0 | 110.6 | L1038 H1043 V1048 V1069 D1096 K1102 G1103 M1104 | L1038-T1100 HydrophobicContact CD2-CG2 3.58Å; H1043-T1100 HydrophobicContact CB-CG2 4.27Å; H1043-T1100 WeakPolarHBondContact O-CA 3.49Å; H1043-T1100 WeakPolarHBondContact O-CB 3.46Å; H1043-T1100 PolarHBondContact O-OG1 3.22Å; V1048-T1100 HydrophobicContact CG2-CG2 4.37Å; V1069-T1100 HydrophobicContact CG1-CG2 4.42Å; V1069-T1100 HydrophobicContact CG2-CG2 4.19Å; D1096-T1100 PolarHBondContact O-N 3.43Å; D1096-T1100 PolarHBondContact O-OG1 3.14Å; T1100-K1102 PolarHBondContact O-N 3.21Å; T1100-G1103 WeakPolarHBondContact O-CA 3.2Å; T1100-G1103 PolarHBondContact O-N 3.28Å; T1100-M1104 WeakPolarHBondContact O-CG 3.45Å; T1100-M1104 PolarHBondContact O-N 3.41Å |
| 1101 | W | 97.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -39.5 | -179.7 | -166.9 | -101 | 0 | 0 | 0 | 113 | H1097 L1098 E1099 G1103 M1104 E1105 I1116 L1118 V1129 C1133 V1135 P1137 | H1097-W1101 VanDerWaalsContact O-CB 3.31Å; H1097-W1101 WeakPolarHBondContact O-CB 3.37Å; H1097-W1101 PolarHBondContact O-N 3.14Å; L1098-W1101 PolarHBondContact O-N 3.45Å; E1099-W1101 VanDerWaalsContact C-N 3.32Å; W1101-G1103 PolarHBondContact O-N 3.47Å; W1101-M1104 HydrophobicContact CD2-CB 4.4Å; W1101-M1104 HydrophobicContact CE3-CB 4.13Å; W1101-M1104 HydrophobicContact CE3-CG 3.95Å; W1101-M1104 HydrophobicContact CZ3-CB 4.3Å; W1101-M1104 HydrophobicContact CZ3-CG 4.2Å; W1101-M1104 WeakPolarHBondContact O-CA 3.44Å; W1101-M1104 VanDerWaalsContact O-CB 3.3Å; W1101-M1104 WeakPolarHBondContact O-CB 3.4Å; W1101-M1104 PolarHBondContact O-N 2.82Å; W1101-E1105 PolarHBondContact NE1-OE1 3.42Å; W1101-E1105 PolarHBondContact O-N 3.24Å; W1101-I1116 HydrophobicContact CH2-CB 4.07Å; W1101-I1116 HydrophobicContact CH2-CD1 3.94Å; W1101-I1116 HydrophobicContact CH2-CG1 3.79Å; W1101-I1116 HydrophobicContact CZ2-CD1 3.56Å; W1101-I1116 HydrophobicContact CZ2-CG1 3.79Å; W1101-L1118 HydrophobicContact CE3-CD2 3.68Å; W1101-L1118 HydrophobicContact CE3-CG 4.39Å; W1101-L1118 HydrophobicContact CH2-CG 4.47Å; W1101-L1118 HydrophobicContact CZ3-CD2 3.47Å; W1101-L1118 VanDerWaalsContact CZ3-CD2 3.47Å; W1101-L1118 HydrophobicContact CZ3-CG 3.82Å; W1101-V1129 HydrophobicContact CB-CG1 4.44Å; W1101-V1129 HydrophobicContact CD2-CG1 3.57Å; W1101-V1129 HydrophobicContact CE3-CG1 3.98Å; W1101-V1129 HydrophobicContact CG-CG1 3.75Å; W1101-C1133 VanDerWaalsContact NE1-CB 3.31Å; W1101-V1135 WeakPolarHBondContact CZ2-O 3.32Å; W1101-V1135 PolarHBondContact NE1-O 3.39Å; W1101-P1137 HydrophobicContact CH2-CB 3.95Å; W1101-P1137 HydrophobicContact CH2-CG 3.83Å; W1101-P1137 HydrophobicContact CZ2-CB 4.33Å; W1101-P1137 HydrophobicContact CZ2-CG 3.9Å; W1101-P1137 HydrophobicContact CZ3-CG 4.43Å |
| 1102 | K | 96 | Very high | 92.8 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 35% | 0.348 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59 | -34.2 | 170.9 | -70.5 | 166.8 | -170.7 | 174 | 0 | 112.3 | L1098 E1099 T1100 E1105 D1106 | L1098-K1102 WeakPolarHBondContact O-CG 3.47Å; L1098-K1102 PolarHBondContact O-N 3.32Å; E1099-K1102 PolarHBondContact O-N 3.28Å; E1099-K1102 IonicContact OE1-NZ 2.73Å; E1099-K1102 PolarHBondContact OE1-NZ 2.98Å; T1100-K1102 PolarHBondContact O-N 3.21Å; K1102-E1105 PolarHBondContact O-N 3.26Å; K1102-D1106 PolarHBondContact O-N 3.37Å |
| 1103 | G | 96.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68 | -34 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1099 T1100 W1101 D1106 V1107 | E1099-G1103 PolarHBondContact O-N 3.12Å; T1100-G1103 WeakPolarHBondContact O-CA 3.2Å; T1100-G1103 PolarHBondContact O-N 3.28Å; W1101-G1103 PolarHBondContact O-N 3.47Å; G1103-D1106 PolarHBondContact O-N 2.91Å; G1103-V1107 PolarHBondContact O-N 3.46Å; G1103-V1107 VanDerWaalsContact O-N 3.14Å |
| 1104 | M | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 171.5 | -56.3 | -64.5 | -73.4 | 0 | 0 | 110.6 | L1038 V1048 F1067 V1069 T1100 W1101 V1107 L1108 I1116 | L1038-M1104 HydrophobicContact CD2-SD 4.27Å; V1048-M1104 HydrophobicContact CG1-SD 3.74Å; F1067-M1104 HydrophobicContact CB-CE 4.26Å; F1067-M1104 HydrophobicContact CD1-CE 3.43Å; F1067-M1104 VanDerWaalsContact CD1-CE 3.43Å; F1067-M1104 HydrophobicContact CD1-SD 3.74Å; F1067-M1104 HydrophobicContact CE1-CE 4.03Å; F1067-M1104 HydrophobicContact CE1-SD 3.78Å; F1067-M1104 HydrophobicContact CG-CE 3.98Å; F1067-M1104 WeakPolarHBondContact O-CE 3.48Å; V1069-M1104 HydrophobicContact CG2-CE 3.99Å; V1069-M1104 HydrophobicContact CG2-CG 3.86Å; V1069-M1104 HydrophobicContact CG2-SD 3.82Å; T1100-M1104 WeakPolarHBondContact O-CG 3.45Å; T1100-M1104 PolarHBondContact O-N 3.41Å; W1101-M1104 HydrophobicContact CD2-CB 4.4Å; W1101-M1104 HydrophobicContact CE3-CB 4.13Å; W1101-M1104 HydrophobicContact CE3-CG 3.95Å; W1101-M1104 HydrophobicContact CZ3-CB 4.3Å; W1101-M1104 HydrophobicContact CZ3-CG 4.2Å; W1101-M1104 WeakPolarHBondContact O-CA 3.44Å; W1101-M1104 VanDerWaalsContact O-CB 3.3Å; W1101-M1104 WeakPolarHBondContact O-CB 3.4Å; W1101-M1104 PolarHBondContact O-N 2.82Å; M1104-V1107 VanDerWaalsContact O-CG2 3.23Å; M1104-V1107 WeakPolarHBondContact O-CG2 3.5Å; M1104-V1107 PolarHBondContact O-N 2.85Å; M1104-L1108 PolarHBondContact O-N 2.98Å; M1104-L1108 VanDerWaalsContact O-N 3.09Å; M1104-I1116 HydrophobicContact CB-CB 4.19Å; M1104-I1116 HydrophobicContact CB-CD1 3.9Å; M1104-I1116 HydrophobicContact CB-CG2 4.11Å; M1104-I1116 HydrophobicContact CE-CB 4.3Å; M1104-I1116 HydrophobicContact CE-CG2 4.26Å |
| 1105 | E | 97.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 175.2 | -66.7 | 179.7 | 172.4 | 0 | 0 | 112 | W1101 K1102 L1108 S1109 I1116 T1134 V1135 | W1101-E1105 PolarHBondContact NE1-OE1 3.42Å; W1101-E1105 PolarHBondContact O-N 3.24Å; K1102-E1105 PolarHBondContact O-N 3.26Å; E1105-L1108 PolarHBondContact O-N 2.82Å; E1105-S1109 WeakPolarHBondContact O-CB 3.43Å; E1105-S1109 PolarHBondContact O-N 2.98Å; E1105-I1116 HydrophobicContact CG-CD1 3.93Å; E1105-T1134 WeakPolarHBondContact OE1-CA 3.22Å; E1105-T1134 PolarHBondContact OE1-N 3.21Å; E1105-T1134 WeakPolarHBondContact OE2-CB 3.34Å; E1105-T1134 PolarHBondContact OE2-OG1 3.09Å; E1105-V1135 HydrophobicContact CG-CB 4.19Å; E1105-V1135 HydrophobicContact CG-CG2 4.33Å; E1105-V1135 PolarHBondContact OE1-N 3.3Å |
| 1106 | D | 97.1 | Very high | 95.3 | Very high | 46 Ų | 46 | 37.3 Ų | 37.3 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 174.1 | -68.7 | -29.6 | 0 | 0 | 0 | 111.9 | R1045 K1102 G1103 L1108 S1109 K1110 | R1045-D1106 IonicContact CZ-OD1 2.82Å; R1045-D1106 IonicContact CZ-OD2 3.9Å; R1045-D1106 VanDerWaalsContact CZ-OD2 3.32Å; R1045-D1106 IonicContact NE-OD1 3.28Å; R1045-D1106 IonicContact NE-OD2 3.12Å; R1045-D1106 PolarHBondContact NE-OD2 3.49Å; R1045-D1106 VanDerWaalsContact NH2-CG 3.31Å; R1045-D1106 IonicContact NH2-OD1 3.67Å; R1045-D1106 PolarHBondContact NH2-OD1 2.88Å; R1045-D1106 IonicContact NH2-OD2 3.72Å; R1045-D1106 PolarHBondContact NH2-OD2 3.16Å; R1045-D1106 VanDerWaalsContact NH2-OD2 3.09Å; K1102-D1106 PolarHBondContact O-N 3.37Å; G1103-D1106 PolarHBondContact O-N 2.91Å; D1106-L1108 VanDerWaalsContact C-N 3.34Å; D1106-L1108 PolarHBondContact O-N 3.15Å; D1106-S1109 PolarHBondContact O-N 3.2Å; D1106-S1109 PolarHBondContact O-OG 3.28Å; D1106-K1110 WeakPolarHBondContact O-CG 3.39Å; D1106-K1110 PolarHBondContact O-N 2.93Å; D1106-K1110 VanDerWaalsContact O-N 3.13Å |
| 1107 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.6 | -29.1 | -178 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | V1048 E1049 L1052 F1067 G1103 M1104 K1110 G1111 L1112 T1113 | V1048-V1107 HydrophobicContact CG1-CG1 4.34Å; V1048-V1107 HydrophobicContact CG1-CG2 4.43Å; E1049-V1107 HydrophobicContact CB-CG1 3.8Å; E1049-V1107 HydrophobicContact CG-CG1 4.24Å; L1052-V1107 HydrophobicContact CD2-CB 3.8Å; L1052-V1107 HydrophobicContact CD2-CG1 4.25Å; L1052-V1107 HydrophobicContact CD2-CG2 3.9Å; F1067-V1107 HydrophobicContact CD1-CG2 4.03Å; F1067-V1107 HydrophobicContact CE1-CG2 4.39Å; G1103-V1107 PolarHBondContact O-N 3.46Å; G1103-V1107 VanDerWaalsContact O-N 3.14Å; M1104-V1107 VanDerWaalsContact O-CG2 3.23Å; M1104-V1107 WeakPolarHBondContact O-CG2 3.5Å; M1104-V1107 PolarHBondContact O-N 2.85Å; V1107-K1110 PolarHBondContact O-N 3.14Å; V1107-G1111 PolarHBondContact O-N 3.06Å; V1107-L1112 HydrophobicContact CB-CB 4.49Å; V1107-L1112 HydrophobicContact CB-CD1 4.4Å; V1107-L1112 HydrophobicContact CG1-CD1 4.32Å; V1107-L1112 PolarHBondContact O-N 2.8Å; V1107-T1113 HydrophobicContact CG2-CG2 4.15Å |
| 1108 | L | 97.5 | Very high | 96.3 | Very high | 37 Ų | 37 | 32.6 Ų | 32.6 | 19% | 0.194 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -47.8 | 169 | -176.9 | 73.8 | 0 | 0 | 0 | 110.6 | M1104 E1105 D1106 K1110 G1111 T1113 R1114 I1116 V1135 | M1104-L1108 PolarHBondContact O-N 2.98Å; M1104-L1108 VanDerWaalsContact O-N 3.09Å; E1105-L1108 PolarHBondContact O-N 2.82Å; D1106-L1108 VanDerWaalsContact C-N 3.34Å; D1106-L1108 PolarHBondContact O-N 3.15Å; L1108-K1110 PolarHBondContact O-N 2.93Å; L1108-G1111 PolarHBondContact O-N 3.05Å; L1108-T1113 HydrophobicContact CB-CG2 4.31Å; L1108-T1113 HydrophobicContact CD1-CG2 4.21Å; L1108-R1114 WeakPolarHBondContact CD1-O 3.05Å; L1108-I1116 HydrophobicContact CB-CD1 4.38Å; L1108-I1116 HydrophobicContact CB-CG2 4.06Å; L1108-I1116 HydrophobicContact CD1-CG2 4.45Å; L1108-I1116 HydrophobicContact CD2-CD1 4.05Å; L1108-I1116 HydrophobicContact CD2-CG1 4.15Å; L1108-V1135 HydrophobicContact CD2-CB 4.37Å; L1108-V1135 HydrophobicContact CD2-CG1 3.81Å; L1108-V1135 HydrophobicContact CD2-CG2 4.26Å |
| 1109 | S | 93.6 | Very high | 96.5 | Very high | 96 Ų | 96 | 31.5 Ų | 31.5 | 67% | 0.671 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -62.1 | -25.6 | 179.5 | 78.5 | 0 | 0 | 0 | 0 | 113.4 | E1105 D1106 | E1105-S1109 WeakPolarHBondContact O-CB 3.43Å; E1105-S1109 PolarHBondContact O-N 2.98Å; D1106-S1109 PolarHBondContact O-N 3.2Å; D1106-S1109 PolarHBondContact O-OG 3.28Å |
| 1110 | K | 94.8 | Very high | 96.6 | Very high | 111 Ų | 111 | 30.4 Ų | 30.4 | 48% | 0.483 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.2 | 176.3 | -69.1 | 176.6 | 179.6 | -170.9 | 0 | 114.1 | E1049 D1106 V1107 L1108 L1112 | E1049-K1110 IonicContact OE1-NZ 3.87Å; E1049-K1110 PolarHBondContact OE1-NZ 3.32Å; E1049-K1110 IonicContact OE2-NZ 3.02Å; E1049-K1110 PolarHBondContact OE2-NZ 3.49Å; D1106-K1110 WeakPolarHBondContact O-CG 3.39Å; D1106-K1110 PolarHBondContact O-N 2.93Å; D1106-K1110 VanDerWaalsContact O-N 3.13Å; V1107-K1110 PolarHBondContact O-N 3.14Å; L1108-K1110 PolarHBondContact O-N 2.93Å; K1110-L1112 HydrophobicContact CB-CD1 4.28Å; K1110-L1112 HydrophobicContact CB-CG 4.11Å; K1110-L1112 PolarHBondContact O-N 3.41Å |
| 1111 | G | 93.3 | Very high | 96.5 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 46% | 0.464 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 7.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1107 L1108 T1113 | V1107-G1111 PolarHBondContact O-N 3.06Å; L1108-G1111 PolarHBondContact O-N 3.05Å; G1111-T1113 PolarHBondContact O-N 2.92Å |
| 1112 | L | 96.5 | Very high | 96.1 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -69.9 | -21.1 | 177.8 | -59.2 | 175 | 0 | 0 | 0 | 111.9 | E1049 L1052 K1053 L1056 Y1063 V1064 V1107 K1110 | E1049-L1112 HydrophobicContact CG-CD1 4.08Å; L1052-L1112 HydrophobicContact CD2-CB 3.56Å; L1052-L1112 HydrophobicContact CG-CB 4.31Å; K1053-L1112 HydrophobicContact CG-CD1 4.3Å; L1056-L1112 HydrophobicContact CD1-CB 4.17Å; L1056-L1112 HydrophobicContact CD1-CD2 4.13Å; Y1063-L1112 WeakPolarHBondContact CA-O 3.46Å; V1064-L1112 PolarHBondContact N-O 3.36Å; V1064-L1112 VanDerWaalsContact N-O 3.16Å; V1107-L1112 HydrophobicContact CB-CB 4.49Å; V1107-L1112 HydrophobicContact CB-CD1 4.4Å; V1107-L1112 HydrophobicContact CG1-CD1 4.32Å; V1107-L1112 PolarHBondContact O-N 2.8Å; K1110-L1112 HydrophobicContact CB-CD1 4.28Å; K1110-L1112 HydrophobicContact CB-CG 4.11Å; K1110-L1112 PolarHBondContact O-N 3.41Å |
| 1113 | T | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -137 | 153.6 | 167.3 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | V1064 F1067 V1107 L1108 G1111 S1115 I1116 | V1064-T1113 CarbonylContact O-C 3.55Å; V1064-T1113 WeakPolarHBondContact O-CA 3.28Å; V1064-T1113 PolarHBondContact O-OG1 3.47Å; F1067-T1113 HydrophobicContact CB-CG2 4.09Å; F1067-T1113 PolarHBondContact N-OG1 3.33Å; V1107-T1113 HydrophobicContact CG2-CG2 4.15Å; L1108-T1113 HydrophobicContact CB-CG2 4.31Å; L1108-T1113 HydrophobicContact CD1-CG2 4.21Å; G1111-T1113 PolarHBondContact O-N 2.92Å; T1113-S1115 PolarHBondContact OG1-N 2.86Å; T1113-S1115 PolarHBondContact OG1-O 3.13Å; T1113-I1116 HydrophobicContact CG2-CG2 3.62Å |
| 1114 | R | 96.3 | Very high | 95.3 | Very high | 109 Ų | 109 | 38.5 Ų | 38.5 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -92.1 | -19.8 | 174.4 | -64.3 | 169.4 | 73.8 | -165.4 | 14.9 | 113.3 | N968 L970 Y1063 V1064 D1065 L1108 | N968-R1114 PolarHBondContact ND2-O 3.16Å; L970-R1114 HydrophobicContact CD2-CB 3.92Å; Y1063-R1114 HydrophobicContact CD2-CG 3.89Å; Y1063-R1114 HydrophobicContact CE2-CG 4.11Å; V1064-R1114 PolarHBondContact O-N 2.7Å; D1065-R1114 CarbonylContact O-C 3.54Å; D1065-R1114 WeakPolarHBondContact OD1-CD 2.96Å; D1065-R1114 IonicContact OD1-CZ 2.67Å; D1065-R1114 IonicContact OD1-NE 3.04Å; D1065-R1114 IonicContact OD1-NH1 3.58Å; D1065-R1114 PolarHBondContact OD1-NH1 3.48Å; L1108-R1114 WeakPolarHBondContact CD1-O 3.05Å |
| 1115 | S | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -145.6 | 155.4 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | L966 N968 L970 D1065 L1066 F1067 T1113 | L966-S1115 WeakPolarHBondContact CD1-OG 3.39Å; N968-S1115 PolarHBondContact ND2-OG 3.06Å; L970-S1115 WeakPolarHBondContact CD2-OG 3.47Å; D1065-S1115 VanDerWaalsContact O-CB 3.25Å; D1065-S1115 WeakPolarHBondContact O-CB 3.15Å; D1065-S1115 PolarHBondContact O-N 3.23Å; L1066-S1115 WeakPolarHBondContact CA-O 3.34Å; F1067-S1115 PolarHBondContact N-O 3.04Å; T1113-S1115 PolarHBondContact OG1-N 2.86Å; T1113-S1115 PolarHBondContact OG1-O 3.13Å | ||
| 1116 | I | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.4 | 175.6 | 55.6 | 176.6 | 0 | 0 | 0 | 111.6 | F1067 W1101 M1104 E1105 L1108 T1113 V1135 H1138 | F1067-I1116 CarbonylContact O-C 3Å; F1067-I1116 VanDerWaalsContact O-CA 3.31Å; F1067-I1116 WeakPolarHBondContact O-CA 3.37Å; W1101-I1116 HydrophobicContact CH2-CB 4.07Å; W1101-I1116 HydrophobicContact CH2-CD1 3.94Å; W1101-I1116 HydrophobicContact CH2-CG1 3.79Å; W1101-I1116 HydrophobicContact CZ2-CD1 3.56Å; W1101-I1116 HydrophobicContact CZ2-CG1 3.79Å; M1104-I1116 HydrophobicContact CB-CB 4.19Å; M1104-I1116 HydrophobicContact CB-CD1 3.9Å; M1104-I1116 HydrophobicContact CB-CG2 4.11Å; M1104-I1116 HydrophobicContact CE-CB 4.3Å; M1104-I1116 HydrophobicContact CE-CG2 4.26Å; E1105-I1116 HydrophobicContact CG-CD1 3.93Å; L1108-I1116 HydrophobicContact CB-CD1 4.38Å; L1108-I1116 HydrophobicContact CB-CG2 4.06Å; L1108-I1116 HydrophobicContact CD1-CG2 4.45Å; L1108-I1116 HydrophobicContact CD2-CD1 4.05Å; L1108-I1116 HydrophobicContact CD2-CG1 4.15Å; T1113-I1116 HydrophobicContact CG2-CG2 3.62Å; I1116-V1135 HydrophobicContact CD1-CB 4.45Å; I1116-H1138 PolarHBondContact N-ND1 2.69Å; I1116-H1138 VanDerWaalsContact N-ND1 3.18Å; I1116-H1138 WeakPolarHBondContact O-CB 3.21Å; I1116-H1138 PolarHBondContact O-N 3.25Å; I1116-H1138 PolarHBondContact O-ND1 3.11Å |
| 1117 | G | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | -167.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1067 L1068 V1069 N1139 | F1067-G1117 PolarHBondContact O-N 3.25Å; L1068-G1117 WeakPolarHBondContact CA-O 3.43Å; L1068-G1117 VanDerWaalsContact CD2-C 3.45Å; L1068-G1117 VanDerWaalsContact CD2-CA 3.48Å; V1069-G1117 PolarHBondContact N-O 3.31Å; G1117-N1139 VanDerWaalsContact CA-O 3.25Å; G1117-N1139 WeakPolarHBondContact CA-O 3.26Å |
| 1118 | L | 97.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 155.6 | -172.3 | -62.2 | 173.1 | 0 | 0 | 0 | 110 | V1069 W1101 F1121 M1126 V1129 P1137 N1139 L1140 Q1141 | V1069-L1118 HydrophobicContact CB-CD2 3.94Å; V1069-L1118 HydrophobicContact CG2-CD2 3.86Å; W1101-L1118 HydrophobicContact CE3-CD2 3.68Å; W1101-L1118 HydrophobicContact CE3-CG 4.39Å; W1101-L1118 HydrophobicContact CH2-CG 4.47Å; W1101-L1118 HydrophobicContact CZ3-CD2 3.47Å; W1101-L1118 VanDerWaalsContact CZ3-CD2 3.47Å; W1101-L1118 HydrophobicContact CZ3-CG 3.82Å; L1118-F1121 HydrophobicContact CB-CB 4.37Å; L1118-F1121 HydrophobicContact CB-CD2 3.85Å; L1118-F1121 HydrophobicContact CB-CE2 4.28Å; L1118-F1121 HydrophobicContact CB-CG 4Å; L1118-F1121 HydrophobicContact CD1-CD1 3.83Å; L1118-F1121 HydrophobicContact CD1-CE1 4.16Å; L1118-F1121 HydrophobicContact CD1-CG 4.13Å; L1118-F1121 HydrophobicContact CD2-CD1 4.25Å; L1118-F1121 HydrophobicContact CD2-CD2 4.17Å; L1118-F1121 HydrophobicContact CD2-CE1 3.89Å; L1118-F1121 HydrophobicContact CD2-CE2 3.79Å; L1118-F1121 HydrophobicContact CD2-CG 4.42Å; L1118-F1121 HydrophobicContact CD2-CZ 3.66Å; L1118-F1121 HydrophobicContact CG-CD1 4.42Å; L1118-F1121 HydrophobicContact CG-CD2 4.42Å; L1118-F1121 HydrophobicContact CG-CG 4.41Å; L1118-M1126 HydrophobicContact CB-SD 4.18Å; L1118-M1126 HydrophobicContact CD1-SD 3.48Å; L1118-M1126 WeakPolarHBondContact CD1-SD 3.43Å; L1118-M1126 HydrophobicContact CG-SD 4.44Å; L1118-V1129 HydrophobicContact CD1-CB 4.09Å; L1118-V1129 HydrophobicContact CD1-CG1 4.12Å; L1118-V1129 HydrophobicContact CD1-CG2 4.1Å; L1118-P1137 HydrophobicContact CD1-CB 4.12Å; L1118-P1137 HydrophobicContact CD1-CG 3.65Å; L1118-P1137 HydrophobicContact CG-CB 4.24Å; L1118-P1137 HydrophobicContact CG-CG 4.17Å; L1118-N1139 PolarHBondContact N-O 3.34Å; L1118-L1140 HydrophobicContact CB-CD1 4.01Å; L1118-L1140 WeakPolarHBondContact O-CA 3.42Å; L1118-Q1141 PolarHBondContact O-N 3.3Å |
| 1119 | S | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137.3 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | V1069 H1070 A1071 F1121 Q1141 | V1069-S1119 WeakPolarHBondContact O-CA 3.12Å; V1069-S1119 VanDerWaalsContact O-CB 3.3Å; V1069-S1119 WeakPolarHBondContact O-CB 3.33Å; V1069-S1119 PolarHBondContact O-N 2.84Å; H1070-S1119 CarbonylContact C-O 3.58Å; H1070-S1119 CarbonylContact O-C 2.94Å; H1070-S1119 WeakPolarHBondContact O-CB 3.4Å; H1070-S1119 VanDerWaalsContact O-O 3.1Å; H1070-S1119 PolarHBondContact O-OG 2.7Å; A1071-S1119 WeakPolarHBondContact CA-O 2.98Å; S1119-F1121 WeakPolarHBondContact O-CD2 3.27Å; S1119-F1121 PolarHBondContact O-N 3.43Å; S1119-Q1141 CarbonylContact C-O 3.59Å; S1119-Q1141 WeakPolarHBondContact CA-O 3.32Å; S1119-Q1141 PolarHBondContact OG-O 2.9Å |
| 1120 | N | 93.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 61.4 | 18.1 | -176.6 | -53.2 | -68.7 | 0 | 0 | 0 | 115.5 | H1070 P1072 Q1141 Y1167 | H1070-N1120 PolarHBondContact O-ND2 3.07Å; P1072-N1120 VanDerWaalsContact CD-O 3.29Å; P1072-N1120 WeakPolarHBondContact CD-O 3.36Å; P1072-N1120 WeakPolarHBondContact CG-O 3.37Å; N1120-Q1141 PolarHBondContact N-O 3.34Å; N1120-Y1167 VanDerWaalsContact OD1-CE1 3.28Å; N1120-Y1167 WeakPolarHBondContact OD1-CE1 3.4Å; N1120-Y1167 PolarHBondContact OD1-OH 2.94Å |
| 1121 | F | 94.6 | Very high | 93 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.013 | 21% | 0.205 | C | C | . | . | trans | -79.5 | 135.3 | 173 | -81.4 | -124.1 | 0 | 0 | 0 | 110.7 | V1069 P1072 H1097 L1118 S1119 Q1125 M1126 V1129 L1140 | V1069-F1121 HydrophobicContact CB-CE2 4.13Å; V1069-F1121 HydrophobicContact CB-CZ 4.48Å; V1069-F1121 HydrophobicContact CG1-CE2 3.94Å; V1069-F1121 HydrophobicContact CG1-CZ 4.17Å; P1072-F1121 VanDerWaalsContact CA-CE2 3.42Å; P1072-F1121 HydrophobicContact CB-CD1 4.09Å; P1072-F1121 HydrophobicContact CB-CD2 3.69Å; P1072-F1121 HydrophobicContact CB-CE1 3.99Å; P1072-F1121 HydrophobicContact CB-CE2 3.6Å; P1072-F1121 HydrophobicContact CB-CG 3.92Å; P1072-F1121 HydrophobicContact CB-CZ 3.74Å; P1072-F1121 HydrophobicContact CG-CD2 4.21Å; P1072-F1121 HydrophobicContact CG-CE2 4.45Å; H1097-F1121 HydrophobicContact CB-CZ 4.44Å; L1118-F1121 HydrophobicContact CB-CB 4.37Å; L1118-F1121 HydrophobicContact CB-CD2 3.85Å; L1118-F1121 HydrophobicContact CB-CE2 4.28Å; L1118-F1121 HydrophobicContact CB-CG 4Å; L1118-F1121 HydrophobicContact CD1-CD1 3.83Å; L1118-F1121 HydrophobicContact CD1-CE1 4.16Å; L1118-F1121 HydrophobicContact CD1-CG 4.13Å; L1118-F1121 HydrophobicContact CD2-CD1 4.25Å; L1118-F1121 HydrophobicContact CD2-CD2 4.17Å; L1118-F1121 HydrophobicContact CD2-CE1 3.89Å; L1118-F1121 HydrophobicContact CD2-CE2 3.79Å; L1118-F1121 HydrophobicContact CD2-CG 4.42Å; L1118-F1121 HydrophobicContact CD2-CZ 3.66Å; L1118-F1121 HydrophobicContact CG-CD1 4.42Å; L1118-F1121 HydrophobicContact CG-CD2 4.42Å; L1118-F1121 HydrophobicContact CG-CG 4.41Å; S1119-F1121 WeakPolarHBondContact O-CD2 3.27Å; S1119-F1121 PolarHBondContact O-N 3.43Å; F1121-Q1125 HydrophobicContact CB-CB 4.26Å; F1121-Q1125 HydrophobicContact CD1-CB 3.55Å; F1121-Q1125 HydrophobicContact CE1-CB 4.24Å; F1121-Q1125 HydrophobicContact CG-CB 4.21Å; F1121-M1126 HydrophobicContact CB-CG 3.91Å; F1121-M1126 HydrophobicContact CB-SD 4.03Å; F1121-V1129 HydrophobicContact CD1-CG2 4.47Å; F1121-V1129 HydrophobicContact CE1-CG2 3.98Å; F1121-L1140 HydrophobicContact CB-CD1 4.02Å | ||
| 1122 | N | 89.1 | Confident | 92.9 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 40% | 0.401 | 21% | 0.208 | S | C | . | . | trans | -83.8 | 172.9 | 170.6 | 71.3 | 38.5 | 0 | 0 | 0 | 112.1 | T1124 Q1125 M1126 | N1122-T1124 VanDerWaalsContact C-N 3.3Å; N1122-T1124 PolarHBondContact O-N 2.79Å; N1122-T1124 WeakPolarHBondContact OD1-CB 3.15Å; N1122-T1124 PolarHBondContact OD1-N 2.74Å; N1122-Q1125 PolarHBondContact ND2-OE1 2.91Å; N1122-Q1125 PolarHBondContact O-N 2.98Å; N1122-Q1125 VanDerWaalsContact O-N 3.17Å; N1122-Q1125 WeakPolarHBondContact OD1-CG 3.4Å; N1122-Q1125 PolarHBondContact OD1-N 3.44Å; N1122-Q1125 PolarHBondContact OD1-OE1 2.81Å; N1122-M1126 WeakPolarHBondContact O-CB 3.46Å; N1122-M1126 WeakPolarHBondContact O-CG 3.34Å; N1122-M1126 PolarHBondContact O-N 3.23Å | ||
| 1123 | I | 89.9 | Confident | 92.7 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 34% | 0.344 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -53.2 | -43.3 | -177.8 | -64.5 | -179.8 | 0 | 0 | 0 | 112.4 | A1127 E1152 L1153 F1156 | I1123-A1127 VanDerWaalsContact O-CB 3.31Å; I1123-A1127 WeakPolarHBondContact O-CB 3.16Å; I1123-A1127 PolarHBondContact O-N 2.73Å; I1123-E1152 HydrophobicContact CD1-CB 4.14Å; I1123-L1153 HydrophobicContact CG1-CB 4.4Å; I1123-L1153 HydrophobicContact CG1-CD1 3.6Å; I1123-F1156 HydrophobicContact CD1-CB 4.38Å; I1123-F1156 HydrophobicContact CG1-CB 4.24Å; I1123-F1156 HydrophobicContact CG1-CG 4.39Å; I1123-F1156 HydrophobicContact CG2-CD2 3.64Å; I1123-F1156 HydrophobicContact CG2-CE2 3.96Å; I1123-F1156 HydrophobicContact CG2-CG 4.12Å |
| 1124 | T | 86.4 | Confident | 92.3 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 68% | 0.681 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68.2 | -40.1 | -178.5 | -49.1 | 0 | 0 | 0 | 0 | 112.1 | N1122 R1128 | N1122-T1124 VanDerWaalsContact C-N 3.3Å; N1122-T1124 PolarHBondContact O-N 2.79Å; N1122-T1124 WeakPolarHBondContact OD1-CB 3.15Å; N1122-T1124 PolarHBondContact OD1-N 2.74Å; T1124-R1128 PolarHBondContact O-N 2.75Å; T1124-R1128 VanDerWaalsContact O-N 3.11Å |
| 1125 | Q | 91.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.9 | -41.1 | 177.6 | -64.2 | 161.1 | -30.4 | 0 | 0 | 111.2 | P1072 F1121 N1122 R1128 V1129 | P1072-Q1125 HydrophobicContact CB-CG 4.4Å; F1121-Q1125 HydrophobicContact CB-CB 4.26Å; F1121-Q1125 HydrophobicContact CD1-CB 3.55Å; F1121-Q1125 HydrophobicContact CE1-CB 4.24Å; F1121-Q1125 HydrophobicContact CG-CB 4.21Å; N1122-Q1125 PolarHBondContact ND2-OE1 2.91Å; N1122-Q1125 PolarHBondContact O-N 2.98Å; N1122-Q1125 VanDerWaalsContact O-N 3.17Å; N1122-Q1125 WeakPolarHBondContact OD1-CG 3.4Å; N1122-Q1125 PolarHBondContact OD1-N 3.44Å; N1122-Q1125 PolarHBondContact OD1-OE1 2.81Å; Q1125-R1128 PolarHBondContact O-N 2.66Å; Q1125-V1129 PolarHBondContact O-N 3.16Å |
| 1126 | M | 89.6 | Confident | 91.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -51.5 | 171.8 | -80.6 | -65.5 | -66.1 | 0 | 0 | 111.4 | L1118 F1121 N1122 R1128 V1129 T1130 L1140 L1153 F1156 V1162 | L1118-M1126 HydrophobicContact CB-SD 4.18Å; L1118-M1126 HydrophobicContact CD1-SD 3.48Å; L1118-M1126 WeakPolarHBondContact CD1-SD 3.43Å; L1118-M1126 HydrophobicContact CG-SD 4.44Å; F1121-M1126 HydrophobicContact CB-CG 3.91Å; F1121-M1126 HydrophobicContact CB-SD 4.03Å; N1122-M1126 WeakPolarHBondContact O-CB 3.46Å; N1122-M1126 WeakPolarHBondContact O-CG 3.34Å; N1122-M1126 PolarHBondContact O-N 3.23Å; M1126-R1128 PolarHBondContact O-N 3.49Å; M1126-V1129 PolarHBondContact O-N 2.98Å; M1126-T1130 PolarHBondContact O-N 3.39Å; M1126-T1130 PolarHBondContact O-OG1 2.99Å; M1126-L1140 HydrophobicContact CE-CB 4.16Å; M1126-L1140 HydrophobicContact CE-CD2 4.22Å; M1126-L1140 HydrophobicContact CG-CD2 3.88Å; M1126-L1140 HydrophobicContact SD-CB 4.19Å; M1126-L1140 HydrophobicContact SD-CD1 3.8Å; M1126-L1140 HydrophobicContact SD-CD2 3.81Å; M1126-L1140 HydrophobicContact SD-CG 4.13Å; M1126-L1153 HydrophobicContact CG-CD1 4.48Å; M1126-F1156 HydrophobicContact CB-CD1 4.19Å; M1126-F1156 HydrophobicContact CB-CE1 3.61Å; M1126-F1156 HydrophobicContact CB-CZ 4.27Å; M1126-F1156 HydrophobicContact CE-CE1 4.35Å; M1126-F1156 HydrophobicContact CG-CE1 4.46Å; M1126-V1162 HydrophobicContact CE-CB 4.49Å; M1126-V1162 HydrophobicContact CE-CG1 4.12Å; M1126-V1162 HydrophobicContact CE-CG2 4.2Å |
| 1127 | A | 86.4 | Confident | 91.7 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.3 | -46.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1123 V1129 T1130 D1131 F1156 | I1123-A1127 VanDerWaalsContact O-CB 3.31Å; I1123-A1127 WeakPolarHBondContact O-CB 3.16Å; I1123-A1127 PolarHBondContact O-N 2.73Å; A1127-V1129 VanDerWaalsContact C-N 3.27Å; A1127-V1129 PolarHBondContact O-N 3.46Å; A1127-T1130 WeakPolarHBondContact CA-OG1 3.2Å; A1127-T1130 PolarHBondContact O-N 3.49Å; A1127-T1130 VanDerWaalsContact O-N 3.14Å; A1127-T1130 PolarHBondContact O-OG1 3.46Å; A1127-T1130 VanDerWaalsContact O-OG1 3.1Å; A1127-D1131 WeakPolarHBondContact O-CB 3.35Å; A1127-D1131 PolarHBondContact O-N 3.31Å; A1127-F1156 HydrophobicContact CB-CE2 4.37Å; A1127-F1156 HydrophobicContact CB-CZ 4.04Å |
| 1128 | R | 92.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.1 | -37.9 | 178.1 | -172.8 | 167.3 | -177.2 | -91 | 1.5 | 112.5 | D1096 H1097 L1098 T1124 Q1125 M1126 N1132 | D1096-R1128 IonicContact OD1-CZ 3.9Å; D1096-R1128 IonicContact OD1-NH1 2.71Å; D1096-R1128 PolarHBondContact OD1-NH1 2.89Å; D1096-R1128 IonicContact OD1-NH2 2.73Å; D1096-R1128 PolarHBondContact OD1-NH2 3.06Å; D1096-R1128 IonicContact OD2-CZ 3.79Å; D1096-R1128 IonicContact OD2-NH1 3.12Å; D1096-R1128 PolarHBondContact OD2-NH1 3.23Å; D1096-R1128 IonicContact OD2-NH2 3.69Å; D1096-R1128 PolarHBondContact OD2-NH2 2.97Å; H1097-R1128 PolarHBondContact CD2-NH1 2.87Å; H1097-R1128 PolarHBondContact CE1-NH1 3.48Å; H1097-R1128 VanDerWaalsContact CE1-NH1 3.27Å; H1097-R1128 WeakPolarHBondContact NE2-CD 3.21Å; H1097-R1128 PolarHBondContact NE2-NH1 3.33Å; L1098-R1128 HydrophobicContact CD1-CG 4.48Å; T1124-R1128 PolarHBondContact O-N 2.75Å; T1124-R1128 VanDerWaalsContact O-N 3.11Å; Q1125-R1128 PolarHBondContact O-N 2.66Å; M1126-R1128 PolarHBondContact O-N 3.49Å; R1128-N1132 PolarHBondContact O-ND2 3.44Å |
| 1129 | V | 91.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.3 | -49.9 | 172.8 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | L1098 W1101 L1118 F1121 Q1125 M1126 A1127 D1131 N1132 C1133 P1137 | L1098-V1129 HydrophobicContact CD2-CG2 4.45Å; W1101-V1129 HydrophobicContact CB-CG1 4.44Å; W1101-V1129 HydrophobicContact CD2-CG1 3.57Å; W1101-V1129 HydrophobicContact CE3-CG1 3.98Å; W1101-V1129 HydrophobicContact CG-CG1 3.75Å; L1118-V1129 HydrophobicContact CD1-CB 4.09Å; L1118-V1129 HydrophobicContact CD1-CG1 4.12Å; L1118-V1129 HydrophobicContact CD1-CG2 4.1Å; F1121-V1129 HydrophobicContact CD1-CG2 4.47Å; F1121-V1129 HydrophobicContact CE1-CG2 3.98Å; Q1125-V1129 PolarHBondContact O-N 3.16Å; M1126-V1129 PolarHBondContact O-N 2.98Å; A1127-V1129 VanDerWaalsContact C-N 3.27Å; A1127-V1129 PolarHBondContact O-N 3.46Å; V1129-D1131 PolarHBondContact O-N 3.18Å; V1129-N1132 PolarHBondContact O-N 3.49Å; V1129-N1132 VanDerWaalsContact O-N 3.12Å; V1129-C1133 VanDerWaalsContact O-CB 3.31Å; V1129-C1133 WeakPolarHBondContact O-CB 3.3Å; V1129-C1133 PolarHBondContact O-N 2.84Å; V1129-P1137 HydrophobicContact CG1-CG 3.92Å |
| 1130 | T | 88 | Confident | 91.8 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -26 | -176.6 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | M1126 A1127 C1133 P1137 H1160 | M1126-T1130 PolarHBondContact O-N 3.39Å; M1126-T1130 PolarHBondContact O-OG1 2.99Å; A1127-T1130 WeakPolarHBondContact CA-OG1 3.2Å; A1127-T1130 PolarHBondContact O-N 3.49Å; A1127-T1130 VanDerWaalsContact O-N 3.14Å; A1127-T1130 PolarHBondContact O-OG1 3.46Å; A1127-T1130 VanDerWaalsContact O-OG1 3.1Å; T1130-C1133 PolarHBondContact O-SG 3.45Å; T1130-P1137 HydrophobicContact CG2-CG 4.33Å; T1130-H1160 PolarHBondContact OG1-ND1 2.81Å |
| 1131 | D | 88.2 | Confident | 92 | Very high | 122 Ų | 122 | 46.1 Ų | 46.1 | 65% | 0.652 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.8 | 179.9 | -66.2 | -2.1 | 0 | 0 | 0 | 112.6 | A1127 V1129 | A1127-D1131 WeakPolarHBondContact O-CB 3.35Å; A1127-D1131 PolarHBondContact O-N 3.31Å; V1129-D1131 PolarHBondContact O-N 3.18Å |
| 1132 | N | 92.2 | Very high | 91.9 | Very high | 101 Ų | 101 | 46.1 Ų | 46.1 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -1.7 | -173.6 | -67.6 | -89.5 | 0 | 0 | 0 | 114.3 | L1098 R1128 V1129 | L1098-N1132 HydrophobicContact CD1-CB 3.9Å; L1098-N1132 HydrophobicContact CD2-CB 3.73Å; L1098-N1132 HydrophobicContact CG-CB 4.46Å; R1128-N1132 PolarHBondContact O-ND2 3.44Å; V1129-N1132 PolarHBondContact O-N 3.49Å; V1129-N1132 VanDerWaalsContact O-N 3.12Å |
| 1133 | C | 91.7 | Very high | 91.8 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | trans | -81.4 | 149.2 | -179 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | W1101 V1129 T1130 V1135 | W1101-C1133 VanDerWaalsContact NE1-CB 3.31Å; V1129-C1133 VanDerWaalsContact O-CB 3.31Å; V1129-C1133 WeakPolarHBondContact O-CB 3.3Å; V1129-C1133 PolarHBondContact O-N 2.84Å; T1130-C1133 PolarHBondContact O-SG 3.45Å; C1133-V1135 WeakPolarHBondContact CB-O 3.28Å | ||
| 1134 | T | 91 | Very high | 91.6 | Very high | 126 Ų | 126 | 42 Ų | 42 | 77% | 0.773 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -79.3 | -37.9 | 163.9 | -31.9 | 0 | 0 | 0 | 0 | 110.6 | E1105 | E1105-T1134 WeakPolarHBondContact OE1-CA 3.22Å; E1105-T1134 PolarHBondContact OE1-N 3.21Å; E1105-T1134 WeakPolarHBondContact OE2-CB 3.34Å; E1105-T1134 PolarHBondContact OE2-OG1 3.09Å |
| 1135 | V | 91.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 26% | 0.255 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -122.5 | 122.7 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | W1101 E1105 L1108 I1116 C1133 | W1101-V1135 WeakPolarHBondContact CZ2-O 3.32Å; W1101-V1135 PolarHBondContact NE1-O 3.39Å; E1105-V1135 HydrophobicContact CG-CB 4.19Å; E1105-V1135 HydrophobicContact CG-CG2 4.33Å; E1105-V1135 PolarHBondContact OE1-N 3.3Å; L1108-V1135 HydrophobicContact CD2-CB 4.37Å; L1108-V1135 HydrophobicContact CD2-CG1 3.81Å; L1108-V1135 HydrophobicContact CD2-CG2 4.26Å; I1116-V1135 HydrophobicContact CD1-CB 4.45Å; C1133-V1135 WeakPolarHBondContact CB-O 3.28Å |
| 1136 | K | 91.2 | Very high | 90.8 | Very high | 102 Ų | 102 | 37.7 Ų | 37.7 | 44% | 0.443 | 20% | 0.2 | S | C | . | . | trans | -64.3 | 151.1 | -179.2 | -70.1 | -178.4 | 176.2 | -176.8 | 0 | 112.1 | H967 H1138 | H967-K1136 WeakPolarHBondContact NE2-CA 3.25Å; H967-K1136 WeakPolarHBondContact NE2-CB 3.02Å; H967-K1136 PolarHBondContact NE2-O 3.17Å; K1136-H1138 PolarHBondContact O-N 3.06Å; K1136-H1138 PolarHBondContact O-ND1 3.32Å | ||
| 1137 | P | 97 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -54.2 | 128.9 | 165.7 | -24 | 34.2 | 0 | 0 | 0 | 111.2 | H967 W1101 L1118 V1129 T1130 V1162 | H967-P1137 PolarHBondContact CD2-O 2.69Å; H967-P1137 VanDerWaalsContact CD2-O 3.29Å; H967-P1137 PolarHBondContact NE2-O 2.83Å; W1101-P1137 HydrophobicContact CH2-CB 3.95Å; W1101-P1137 HydrophobicContact CH2-CG 3.83Å; W1101-P1137 HydrophobicContact CZ2-CB 4.33Å; W1101-P1137 HydrophobicContact CZ2-CG 3.9Å; W1101-P1137 HydrophobicContact CZ3-CG 4.43Å; L1118-P1137 HydrophobicContact CD1-CB 4.12Å; L1118-P1137 HydrophobicContact CD1-CG 3.65Å; L1118-P1137 HydrophobicContact CG-CB 4.24Å; L1118-P1137 HydrophobicContact CG-CG 4.17Å; V1129-P1137 HydrophobicContact CG1-CG 3.92Å; T1130-P1137 HydrophobicContact CG2-CG 4.33Å; P1137-V1162 HydrophobicContact CB-CG1 4.32Å; P1137-V1162 WeakPolarHBondContact O-CG2 3.43Å | ||
| 1138 | H | 97.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -82 | -31.6 | 179.6 | -59.9 | 70.7 | 0 | 0 | 0 | 111.4 | L966 H967 N968 I1116 K1136 S1163 | L966-H1138 HydrophobicContact CD1-CB 4.27Å; H967-H1138 AromaticContact CE1-CD2 3.3Å; H967-H1138 PolarHBondContact CE1-CD2 2.89Å; H967-H1138 AromaticContact CE1-CE1 3.05Å; H967-H1138 PolarHBondContact CE1-CE1 3.22Å; H967-H1138 AromaticContact CE1-CG 3.79Å; H967-H1138 AromaticContact CE1-ND1 3.64Å; H967-H1138 AromaticContact CE1-NE2 2.81Å; H967-H1138 PolarHBondContact CE1-NE2 2.83Å; H967-H1138 AromaticContact ND1-CD2 3.76Å; H967-H1138 AromaticContact ND1-NE2 3.97Å; H967-H1138 WeakPolarHBondContact NE2-CA 3.38Å; H967-H1138 AromaticContact NE2-CD2 3.75Å; H967-H1138 AromaticContact NE2-CE1 3.57Å; H967-H1138 AromaticContact NE2-CG 3.33Å; H967-H1138 VanDerWaalsContact NE2-CG 3.33Å; H967-H1138 PolarHBondContact NE2-N 3.49Å; H967-H1138 AromaticContact NE2-ND1 3.21Å; H967-H1138 PolarHBondContact NE2-ND1 3.16Å; H967-H1138 AromaticContact NE2-NE2 3.91Å; N968-H1138 PolarHBondContact ND2-CD2 2.67Å; I1116-H1138 PolarHBondContact N-ND1 2.69Å; I1116-H1138 VanDerWaalsContact N-ND1 3.18Å; I1116-H1138 WeakPolarHBondContact O-CB 3.21Å; I1116-H1138 PolarHBondContact O-N 3.25Å; I1116-H1138 PolarHBondContact O-ND1 3.11Å; K1136-H1138 PolarHBondContact O-N 3.06Å; K1136-H1138 PolarHBondContact O-ND1 3.32Å; H1138-S1163 PolarHBondContact O-N 3.49Å; H1138-S1163 VanDerWaalsContact O-N 3.08Å; H1138-S1163 PolarHBondContact O-OG 2.68Å |
| 1139 | N | 97.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 145.7 | -177.5 | -173.4 | -107.8 | 0 | 0 | 0 | 110.6 | L1066 L1068 G1117 L1118 S1163 T1165 | L1066-N1139 HydrophobicContact CD1-CB 4.1Å; L1066-N1139 HydrophobicContact CD2-CB 3.79Å; L1068-N1139 HydrophobicContact CD2-CB 4.33Å; G1117-N1139 VanDerWaalsContact CA-O 3.25Å; G1117-N1139 WeakPolarHBondContact CA-O 3.26Å; L1118-N1139 PolarHBondContact N-O 3.34Å; N1139-S1163 CarbonylContact C-O 3.53Å; N1139-S1163 WeakPolarHBondContact CA-O 3.39Å; N1139-S1163 WeakPolarHBondContact CA-OG 3.43Å; N1139-S1163 WeakPolarHBondContact CB-OG 3.28Å; N1139-S1163 PolarHBondContact ND2-O 3.26Å; N1139-S1163 PolarHBondContact ND2-OG 3.17Å; N1139-T1165 PolarHBondContact ND2-OG1 3.01Å; N1139-T1165 PolarHBondContact OD1-OG1 3.32Å; N1139-T1165 VanDerWaalsContact OD1-OG1 3.08Å |
| 1140 | L | 97.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.7 | 160.6 | 175.1 | 61.9 | 0 | 0 | 0 | 108.8 | L1118 F1121 M1126 V1142 L1153 C1157 V1162 S1163 F1164 T1165 | L1118-L1140 HydrophobicContact CB-CD1 4.01Å; L1118-L1140 WeakPolarHBondContact O-CA 3.42Å; F1121-L1140 HydrophobicContact CB-CD1 4.02Å; M1126-L1140 HydrophobicContact CE-CB 4.16Å; M1126-L1140 HydrophobicContact CE-CD2 4.22Å; M1126-L1140 HydrophobicContact CG-CD2 3.88Å; M1126-L1140 HydrophobicContact SD-CB 4.19Å; M1126-L1140 HydrophobicContact SD-CD1 3.8Å; M1126-L1140 HydrophobicContact SD-CD2 3.81Å; M1126-L1140 HydrophobicContact SD-CG 4.13Å; L1140-V1142 HydrophobicContact CD1-CG1 4.08Å; L1140-V1142 HydrophobicContact CD2-CG1 4.26Å; L1140-V1142 HydrophobicContact CG-CG1 4.04Å; L1140-L1153 HydrophobicContact CD2-CD1 3.71Å; L1140-L1153 HydrophobicContact CD2-CD2 3.95Å; L1140-L1153 HydrophobicContact CD2-CG 3.8Å; L1140-C1157 WeakPolarHBondContact CD2-SG 3.18Å; L1140-V1162 HydrophobicContact CB-CG1 4.24Å; L1140-S1163 PolarHBondContact N-O 2.92Å; L1140-F1164 WeakPolarHBondContact O-CA 3.18Å; L1140-T1165 PolarHBondContact O-N 2.83Å |
| 1141 | Q | 97.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.9 | 175.9 | -173.6 | 178.4 | 114.5 | 0 | 0 | 111.4 | D1003 L1068 L1118 S1119 N1120 T1165 Y1167 | D1003-Q1141 PolarHBondContact OD2-NE2 3.24Å; D1003-Q1141 PolarHBondContact OD2-OE1 2.82Å; L1068-Q1141 HydrophobicContact CD1-CB 3.77Å; L1118-Q1141 PolarHBondContact O-N 3.3Å; S1119-Q1141 CarbonylContact C-O 3.59Å; S1119-Q1141 WeakPolarHBondContact CA-O 3.32Å; S1119-Q1141 PolarHBondContact OG-O 2.9Å; N1120-Q1141 PolarHBondContact N-O 3.34Å; Q1141-T1165 WeakPolarHBondContact CA-O 3.39Å; Q1141-T1165 HydrophobicContact CG-CG2 3.91Å; Q1141-Y1167 HydrophobicContact CG-CD1 3.95Å |
| 1142 | V | 93 | Very high | 88.3 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 157.6 | -178.9 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | L1140 C1144 Q1150 L1153 F1164 T1165 Y1167 | L1140-V1142 HydrophobicContact CD1-CG1 4.08Å; L1140-V1142 HydrophobicContact CD2-CG1 4.26Å; L1140-V1142 HydrophobicContact CG-CG1 4.04Å; V1142-C1144 HydrophobicContact CG2-CB 4.46Å; V1142-C1144 PolarHBondContact O-N 2.74Å; V1142-Q1150 HydrophobicContact CG2-CG 4.2Å; V1142-L1153 HydrophobicContact CG1-CD2 3.93Å; V1142-L1153 HydrophobicContact CG2-CD2 4.24Å; V1142-F1164 HydrophobicContact CG2-CE1 4.08Å; V1142-F1164 HydrophobicContact CG2-CE2 3.54Å; V1142-F1164 HydrophobicContact CG2-CZ 3.25Å; V1142-T1165 PolarHBondContact N-O 3.11Å; V1142-Y1167 WeakPolarHBondContact O-CD1 3.48Å; V1142-Y1167 PolarHBondContact O-N 2.96Å |
| 1143 | E | 85.6 | Confident | 87.9 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 120.7 | 170.4 | -169.1 | 149.3 | -144.1 | 0 | 0 | 107.3 | W1148 Q1150 Y1167 S1172 R1175 | E1143-W1148 VanDerWaalsContact O-CD1 3.31Å; E1143-Q1150 VanDerWaalsContact O-CG 3.3Å; E1143-Q1150 WeakPolarHBondContact O-CG 3.34Å; E1143-Q1150 PolarHBondContact O-NE2 2.97Å; E1143-Y1167 WeakPolarHBondContact CA-O 3.41Å; E1143-Y1167 HydrophobicContact CB-CD2 4.13Å; E1143-Y1167 HydrophobicContact CB-CE1 4.21Å; E1143-Y1167 HydrophobicContact CB-CE2 3.59Å; E1143-Y1167 HydrophobicContact CG-CD2 4.41Å; E1143-Y1167 HydrophobicContact CG-CE2 4.05Å; E1143-Y1167 VanDerWaalsContact N-CD1 3.31Å; E1143-S1172 PolarHBondContact OE1-OG 3.11Å; E1143-R1175 IonicContact OE1-CZ 2.67Å; E1143-R1175 IonicContact OE1-NH2 2.95Å; E1143-R1175 PolarHBondContact OE1-NH2 3.46Å; E1143-R1175 IonicContact OE2-CZ 3.34Å; E1143-R1175 IonicContact OE2-NH1 2.96Å; E1143-R1175 IonicContact OE2-NH2 3.59Å; E1143-R1175 PolarHBondContact OE2-NH2 2.91Å |
| 1144 | C | 86.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | trans | -152 | 117.3 | -176.5 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | V1142 W1148 P1149 Q1150 F1164 A1166 Y1167 P1169 | V1142-C1144 HydrophobicContact CG2-CB 4.46Å; V1142-C1144 PolarHBondContact O-N 2.74Å; C1144-W1148 CarbonylContact C-O 3.54Å; C1144-W1148 VanDerWaalsContact CA-O 3.26Å; C1144-W1148 WeakPolarHBondContact CA-O 3.21Å; C1144-P1149 PolarHBondContact SG-O 3.4Å; C1144-P1149 VanDerWaalsContact SG-O 3.37Å; C1144-Q1150 HydrophobicContact CB-CB 4.42Å; C1144-Q1150 HydrophobicContact CB-CG 3.94Å; C1144-F1164 HydrophobicContact CB-CE1 4.02Å; C1144-F1164 HydrophobicContact CB-CZ 4.24Å; C1144-A1166 HydrophobicContact CB-CB 3.7Å; C1144-Y1167 PolarHBondContact N-O 2.99Å; C1144-Y1167 VanDerWaalsContact N-O 3.13Å; C1144-P1169 VanDerWaalsContact O-CA 3.27Å; C1144-P1169 WeakPolarHBondContact O-CA 3.36Å | ||
| 1145 | H | 82.3 | Confident | 87.4 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -152.8 | 179.9 | -176.4 | 56.9 | 72.6 | 0 | 0 | 0 | 111.5 | Y1147 W1148 S1168 P1169 P1185 | H1145-Y1147 PolarHBondContact ND1-N 3.28Å; H1145-Y1147 PolarHBondContact O-N 3Å; H1145-W1148 VanDerWaalsContact CE1-CB 3.43Å; H1145-W1148 WeakPolarHBondContact CE1-CB 3.35Å; H1145-W1148 PolarHBondContact N-O 3.32Å; H1145-W1148 PolarHBondContact ND1-N 3.04Å; H1145-W1148 CarbonylContact O-C 3.57Å; H1145-W1148 WeakPolarHBondContact O-CA 3.44Å; H1145-W1148 PolarHBondContact O-N 3.46Å; H1145-S1168 WeakPolarHBondContact CB-O 3.5Å; H1145-P1169 WeakPolarHBondContact CB-O 3.5Å; H1145-P1185 HydrophobicContact CB-CG 4.19Å |
| 1146 | L | 78.8 | Confident | 87.2 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -56.2 | -178.1 | -170.8 | 61.3 | 0 | 0 | 0 | 113 | W1148 P1185 D1188 A1191 L1230 V1233 | L1146-W1148 PolarHBondContact O-N 2.64Å; L1146-P1185 HydrophobicContact CB-CB 3.93Å; L1146-P1185 HydrophobicContact CB-CG 4.17Å; L1146-P1185 HydrophobicContact CD2-CB 4.39Å; L1146-D1188 HydrophobicContact CD2-CB 4.04Å; L1146-A1191 HydrophobicContact CD2-CB 4.44Å; L1146-L1230 HydrophobicContact CD1-CB 4.04Å; L1146-L1230 HydrophobicContact CD1-CD2 3.79Å; L1146-L1230 VanDerWaalsContact CD1-O 3.29Å; L1146-L1230 WeakPolarHBondContact CD1-O 3.37Å; L1146-L1230 HydrophobicContact CD2-CD2 4.33Å; L1146-V1233 HydrophobicContact CD1-CB 4Å; L1146-V1233 HydrophobicContact CD1-CG1 4.37Å; L1146-V1233 HydrophobicContact CD1-CG2 4.45Å; L1146-V1233 HydrophobicContact CD2-CB 4.24Å; L1146-V1233 HydrophobicContact CD2-CG1 3.74Å; L1146-V1233 HydrophobicContact CG-CB 4.02Å; L1146-V1233 HydrophobicContact CG-CG1 3.85Å |
| 1147 | Y | 77.4 | Confident | 87 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 18% | 0.18 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 2 | 175.9 | -51.6 | -56.3 | 0 | 0 | 0 | 115.3 | H1145 H1183 P1185 D1188 V1233 K1234 | H1145-Y1147 PolarHBondContact ND1-N 3.28Å; H1145-Y1147 PolarHBondContact O-N 3Å; Y1147-H1183 HydrophobicContact CD2-CB 3.74Å; Y1147-H1183 WeakPolarHBondContact CD2-O 3.3Å; Y1147-H1183 HydrophobicContact CE2-CB 4.09Å; Y1147-H1183 HydrophobicContact CG-CB 4.35Å; Y1147-P1185 HydrophobicContact CD2-CG 3.98Å; Y1147-P1185 HydrophobicContact CE2-CG 4.25Å; Y1147-D1188 VanDerWaalsContact OH-CB 3.26Å; Y1147-D1188 WeakPolarHBondContact OH-CB 3.42Å; Y1147-D1188 PolarHBondContact OH-OD2 3.36Å; Y1147-V1233 HydrophobicContact CD1-CG1 4.08Å; Y1147-V1233 HydrophobicContact CE1-CG1 3.51Å; Y1147-K1234 VanDerWaalsContact C-CE 3.42Å; Y1147-K1234 WeakPolarHBondContact O-CE 3.38Å; Y1147-K1234 PolarHBondContact O-NZ 2.8Å |
| 1148 | W | 75.8 | Confident | 86.4 | Confident | 129 Ų | 129 | 43 Ų | 43 | 49% | 0.489 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | -151.8 | 71.2 | -179.8 | -164.2 | -103.5 | 0 | 0 | 0 | 112.5 | E1143 C1144 H1145 L1146 Q1150 | E1143-W1148 VanDerWaalsContact O-CD1 3.31Å; C1144-W1148 CarbonylContact C-O 3.54Å; C1144-W1148 VanDerWaalsContact CA-O 3.26Å; C1144-W1148 WeakPolarHBondContact CA-O 3.21Å; H1145-W1148 VanDerWaalsContact CE1-CB 3.43Å; H1145-W1148 WeakPolarHBondContact CE1-CB 3.35Å; H1145-W1148 PolarHBondContact N-O 3.32Å; H1145-W1148 PolarHBondContact ND1-N 3.04Å; H1145-W1148 CarbonylContact O-C 3.57Å; H1145-W1148 WeakPolarHBondContact O-CA 3.44Å; H1145-W1148 PolarHBondContact O-N 3.46Å; L1146-W1148 PolarHBondContact O-N 2.64Å; W1148-Q1150 VanDerWaalsContact NE1-CD 3.35Å; W1148-Q1150 PolarHBondContact O-N 2.83Å |
| 1149 | P | 82.1 | Confident | 86 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | trans | -87 | -3.4 | -162.9 | 33.1 | -37.9 | 0 | 0 | 0 | 116.7 | C1144 F1151 | C1144-P1149 PolarHBondContact SG-O 3.4Å; C1144-P1149 VanDerWaalsContact SG-O 3.37Å; P1149-F1151 VanDerWaalsContact C-N 3.26Å; P1149-F1151 HydrophobicContact CB-CD1 4.13Å; P1149-F1151 HydrophobicContact CB-CD2 4.23Å; P1149-F1151 HydrophobicContact CB-CE1 3.7Å; P1149-F1151 HydrophobicContact CB-CE2 3.82Å; P1149-F1151 HydrophobicContact CB-CG 4.38Å; P1149-F1151 HydrophobicContact CB-CZ 3.52Å; P1149-F1151 HydrophobicContact CG-CD2 3.76Å; P1149-F1151 HydrophobicContact CG-CE1 4.17Å; P1149-F1151 HydrophobicContact CG-CE2 3.31Å; P1149-F1151 HydrophobicContact CG-CG 4.36Å; P1149-F1151 HydrophobicContact CG-CZ 3.55Å; P1149-F1151 PolarHBondContact O-N 2.86Å; P1149-F1151 VanDerWaalsContact O-N 3.08Å | ||
| 1150 | Q | 81.4 | Confident | 85.4 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | trans | 53.6 | 30.6 | 170.1 | -58.4 | -85.7 | 25.8 | 0 | 0 | 115.9 | V1142 E1143 C1144 W1148 E1152 L1153 H1154 F1164 | V1142-Q1150 HydrophobicContact CG2-CG 4.2Å; E1143-Q1150 VanDerWaalsContact O-CG 3.3Å; E1143-Q1150 WeakPolarHBondContact O-CG 3.34Å; E1143-Q1150 PolarHBondContact O-NE2 2.97Å; C1144-Q1150 HydrophobicContact CB-CB 4.42Å; C1144-Q1150 HydrophobicContact CB-CG 3.94Å; W1148-Q1150 VanDerWaalsContact NE1-CD 3.35Å; W1148-Q1150 PolarHBondContact O-N 2.83Å; Q1150-E1152 VanDerWaalsContact C-N 3.35Å; Q1150-E1152 PolarHBondContact O-N 2.74Å; Q1150-L1153 PolarHBondContact O-N 3.07Å; Q1150-L1153 VanDerWaalsContact O-N 3.11Å; Q1150-H1154 PolarHBondContact O-N 3.19Å; Q1150-F1164 HydrophobicContact CB-CZ 3.83Å; Q1150-F1164 HydrophobicContact CG-CZ 4.44Å | ||
| 1151 | F | 86.3 | Confident | 85 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 39% | 0.386 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.7 | -44.3 | -167.8 | -64.2 | -55.8 | 0 | 0 | 0 | 114.3 | P1149 H1154 E1155 N1231 | P1149-F1151 VanDerWaalsContact C-N 3.26Å; P1149-F1151 HydrophobicContact CB-CD1 4.13Å; P1149-F1151 HydrophobicContact CB-CD2 4.23Å; P1149-F1151 HydrophobicContact CB-CE1 3.7Å; P1149-F1151 HydrophobicContact CB-CE2 3.82Å; P1149-F1151 HydrophobicContact CB-CG 4.38Å; P1149-F1151 HydrophobicContact CB-CZ 3.52Å; P1149-F1151 HydrophobicContact CG-CD2 3.76Å; P1149-F1151 HydrophobicContact CG-CE1 4.17Å; P1149-F1151 HydrophobicContact CG-CE2 3.31Å; P1149-F1151 HydrophobicContact CG-CG 4.36Å; P1149-F1151 HydrophobicContact CG-CZ 3.55Å; P1149-F1151 PolarHBondContact O-N 2.86Å; P1149-F1151 VanDerWaalsContact O-N 3.08Å; F1151-H1154 PolarHBondContact O-N 2.96Å; F1151-E1155 PolarHBondContact O-N 3.21Å; F1151-N1231 HydrophobicContact CZ-CB 4.13Å; F1151-N1231 WeakPolarHBondContact CZ-OD1 3.42Å |
| 1152 | E | 80.8 | Confident | 84.7 | Confident | 137 Ų | 137 | 59.6 Ų | 59.6 | 64% | 0.64 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.8 | -37.2 | -177.7 | -59.6 | 77 | -171.8 | 0 | 0 | 112 | I1123 Q1150 F1156 | I1123-E1152 HydrophobicContact CD1-CB 4.14Å; Q1150-E1152 VanDerWaalsContact C-N 3.35Å; Q1150-E1152 PolarHBondContact O-N 2.74Å; E1152-F1156 PolarHBondContact O-N 2.93Å |
| 1153 | L | 82.5 | Confident | 84.8 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.7 | -35.2 | 178.8 | -175.3 | 61.1 | 0 | 0 | 0 | 111.3 | I1123 M1126 L1140 V1142 Q1150 F1156 C1157 F1164 | I1123-L1153 HydrophobicContact CG1-CB 4.4Å; I1123-L1153 HydrophobicContact CG1-CD1 3.6Å; M1126-L1153 HydrophobicContact CG-CD1 4.48Å; L1140-L1153 HydrophobicContact CD2-CD1 3.71Å; L1140-L1153 HydrophobicContact CD2-CD2 3.95Å; L1140-L1153 HydrophobicContact CD2-CG 3.8Å; V1142-L1153 HydrophobicContact CG1-CD2 3.93Å; V1142-L1153 HydrophobicContact CG2-CD2 4.24Å; Q1150-L1153 PolarHBondContact O-N 3.07Å; Q1150-L1153 VanDerWaalsContact O-N 3.11Å; L1153-F1156 PolarHBondContact O-N 2.89Å; L1153-C1157 PolarHBondContact O-N 3.02Å; L1153-C1157 PolarHBondContact O-SG 3.48Å; L1153-F1164 HydrophobicContact CB-CE2 4.47Å; L1153-F1164 HydrophobicContact CD2-CE2 4.46Å; L1153-F1164 HydrophobicContact CG-CE2 4.17Å |
| 1154 | H | 86.6 | Confident | 85.1 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 32% | 0.319 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 171.5 | 177.8 | -160.3 | 0 | 0 | 0 | 111.4 | Q1150 F1151 F1156 C1157 K1158 F1164 | Q1150-H1154 PolarHBondContact O-N 3.19Å; F1151-H1154 PolarHBondContact O-N 2.96Å; H1154-F1156 PolarHBondContact O-N 3.48Å; H1154-C1157 PolarHBondContact O-N 3.14Å; H1154-K1158 WeakPolarHBondContact NE2-CE 3.34Å; H1154-K1158 PolarHBondContact O-N 2.9Å; H1154-F1164 HydrophobicContact CB-CD2 4.12Å; H1154-F1164 HydrophobicContact CB-CE2 4.07Å; H1154-F1164 HydrophobicContact CB-CG 4.35Å; H1154-F1164 HydrophobicContact CB-CZ 4.26Å |
| 1155 | E | 86 | Confident | 85.5 | Confident | 75 Ų | 75 | 61 Ų | 61 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 174.3 | -85 | -61.4 | 132.4 | 0 | 0 | 113.2 | F1151 C1157 K1158 R1159 | F1151-E1155 PolarHBondContact O-N 3.21Å; E1155-C1157 VanDerWaalsContact C-N 3.34Å; E1155-C1157 PolarHBondContact O-N 3.34Å; E1155-K1158 WeakPolarHBondContact OE1-CD 3.34Å; E1155-K1158 WeakPolarHBondContact OE1-CE 3.34Å; E1155-K1158 IonicContact OE1-NZ 2.82Å; E1155-K1158 PolarHBondContact OE1-NZ 2.69Å; E1155-R1159 VanDerWaalsContact O-CG 3.26Å; E1155-R1159 WeakPolarHBondContact O-CG 3.4Å; E1155-R1159 PolarHBondContact O-N 2.95Å; E1155-R1159 VanDerWaalsContact O-N 3.13Å; E1155-R1159 IonicContact OE2-NE 3.36Å |
| 1156 | F | 87.2 | Confident | 85.8 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 170.7 | -178.3 | -86.3 | 0 | 0 | 0 | 111.4 | I1123 M1126 A1127 E1152 L1153 H1154 R1159 H1160 | I1123-F1156 HydrophobicContact CD1-CB 4.38Å; I1123-F1156 HydrophobicContact CG1-CB 4.24Å; I1123-F1156 HydrophobicContact CG1-CG 4.39Å; I1123-F1156 HydrophobicContact CG2-CD2 3.64Å; I1123-F1156 HydrophobicContact CG2-CE2 3.96Å; I1123-F1156 HydrophobicContact CG2-CG 4.12Å; M1126-F1156 HydrophobicContact CB-CD1 4.19Å; M1126-F1156 HydrophobicContact CB-CE1 3.61Å; M1126-F1156 HydrophobicContact CB-CZ 4.27Å; M1126-F1156 HydrophobicContact CE-CE1 4.35Å; M1126-F1156 HydrophobicContact CG-CE1 4.46Å; A1127-F1156 HydrophobicContact CB-CE2 4.37Å; A1127-F1156 HydrophobicContact CB-CZ 4.04Å; E1152-F1156 PolarHBondContact O-N 2.93Å; L1153-F1156 PolarHBondContact O-N 2.89Å; H1154-F1156 PolarHBondContact O-N 3.48Å; F1156-R1159 PolarHBondContact O-N 2.89Å; F1156-H1160 AromaticContact CE1-CD2 3.88Å; F1156-H1160 AromaticContact CE1-CG 3.95Å; F1156-H1160 AromaticContact CE2-CD2 3.77Å; F1156-H1160 AromaticContact CE2-CE1 3.93Å; F1156-H1160 AromaticContact CE2-NE2 3.39Å; F1156-H1160 WeakPolarHBondContact CE2-NE2 3.13Å; F1156-H1160 AromaticContact CZ-CD2 3.61Å; F1156-H1160 AromaticContact CZ-CE1 3.56Å; F1156-H1160 AromaticContact CZ-CG 3.9Å; F1156-H1160 AromaticContact CZ-ND1 3.85Å; F1156-H1160 AromaticContact CZ-NE2 3.42Å; F1156-H1160 WeakPolarHBondContact CZ-NE2 3.35Å; F1156-H1160 PolarHBondContact O-CD2 3.12Å; F1156-H1160 PolarHBondContact O-N 2.95Å; F1156-H1160 VanDerWaalsContact O-N 3.16Å |
| 1157 | C | 86.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | -179.7 | -67.9 | 0 | 0 | 0 | 0 | 112 | L1140 L1153 H1154 E1155 R1159 H1160 N1161 V1162 F1164 | L1140-C1157 WeakPolarHBondContact CD2-SG 3.18Å; L1153-C1157 PolarHBondContact O-N 3.02Å; L1153-C1157 PolarHBondContact O-SG 3.48Å; H1154-C1157 PolarHBondContact O-N 3.14Å; E1155-C1157 VanDerWaalsContact C-N 3.34Å; E1155-C1157 PolarHBondContact O-N 3.34Å; C1157-R1159 VanDerWaalsContact C-N 3.34Å; C1157-R1159 PolarHBondContact O-N 2.8Å; C1157-H1160 PolarHBondContact O-N 3.16Å; C1157-N1161 PolarHBondContact O-N 2.94Å; C1157-V1162 CarbonylContact C-O 3.52Å; C1157-V1162 HydrophobicContact CB-CB 4.15Å; C1157-V1162 WeakPolarHBondContact CB-O 3.32Å; C1157-V1162 PolarHBondContact O-N 2.68Å; C1157-F1164 HydrophobicContact CB-CB 4.42Å; C1157-F1164 HydrophobicContact CB-CD2 4.27Å |
| 1158 | K | 86.1 | Confident | 86.4 | Confident | 112 Ų | 112 | 61.5 Ų | 61.5 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -53.2 | -49.3 | 173.7 | -69 | -176.2 | -163.9 | 167.8 | 0 | 112 | H1154 E1155 H1160 N1161 | H1154-K1158 WeakPolarHBondContact NE2-CE 3.34Å; H1154-K1158 PolarHBondContact O-N 2.9Å; E1155-K1158 WeakPolarHBondContact OE1-CD 3.34Å; E1155-K1158 WeakPolarHBondContact OE1-CE 3.34Å; E1155-K1158 IonicContact OE1-NZ 2.82Å; E1155-K1158 PolarHBondContact OE1-NZ 2.69Å; K1158-H1160 VanDerWaalsContact C-N 3.26Å; K1158-H1160 PolarHBondContact O-N 2.63Å; K1158-N1161 PolarHBondContact O-N 2.8Å |
| 1159 | R | 87.7 | Confident | 86.6 | Confident | 199 Ų | 199 | 58.7 Ų | 58.7 | 75% | 0.751 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.8 | -31.2 | -178 | -71.1 | 170 | -173 | -157.6 | 0.7 | 113.4 | E1155 F1156 C1157 | E1155-R1159 VanDerWaalsContact O-CG 3.26Å; E1155-R1159 WeakPolarHBondContact O-CG 3.4Å; E1155-R1159 PolarHBondContact O-N 2.95Å; E1155-R1159 VanDerWaalsContact O-N 3.13Å; E1155-R1159 IonicContact OE2-NE 3.36Å; F1156-R1159 PolarHBondContact O-N 2.89Å; C1157-R1159 VanDerWaalsContact C-N 3.34Å; C1157-R1159 PolarHBondContact O-N 2.8Å |
| 1160 | H | 85.2 | Confident | 86.3 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 3.6 | 178.2 | -74.7 | -114.7 | 0 | 0 | 0 | 113.4 | T1130 F1156 C1157 K1158 V1162 | T1130-H1160 PolarHBondContact OG1-ND1 2.81Å; F1156-H1160 AromaticContact CE1-CD2 3.88Å; F1156-H1160 AromaticContact CE1-CG 3.95Å; F1156-H1160 AromaticContact CE2-CD2 3.77Å; F1156-H1160 AromaticContact CE2-CE1 3.93Å; F1156-H1160 AromaticContact CE2-NE2 3.39Å; F1156-H1160 WeakPolarHBondContact CE2-NE2 3.13Å; F1156-H1160 AromaticContact CZ-CD2 3.61Å; F1156-H1160 AromaticContact CZ-CE1 3.56Å; F1156-H1160 AromaticContact CZ-CG 3.9Å; F1156-H1160 AromaticContact CZ-ND1 3.85Å; F1156-H1160 AromaticContact CZ-NE2 3.42Å; F1156-H1160 WeakPolarHBondContact CZ-NE2 3.35Å; F1156-H1160 PolarHBondContact O-CD2 3.12Å; F1156-H1160 PolarHBondContact O-N 2.95Å; F1156-H1160 VanDerWaalsContact O-N 3.16Å; C1157-H1160 PolarHBondContact O-N 3.16Å; K1158-H1160 VanDerWaalsContact C-N 3.26Å; K1158-H1160 PolarHBondContact O-N 2.63Å; H1160-V1162 VanDerWaalsContact C-N 3.32Å; H1160-V1162 HydrophobicContact CB-CG2 3.9Å |
| 1161 | N | 89.1 | Confident | 85.8 | Confident | 98 Ų | 98 | 58 Ų | 58 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 43.6 | -170.6 | -162.5 | 28.1 | 0 | 0 | 0 | 113.1 | C1157 K1158 | C1157-N1161 PolarHBondContact O-N 2.94Å; K1158-N1161 PolarHBondContact O-N 2.8Å |
| 1162 | V | 92.2 | Very high | 84.9 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | trans | -105.4 | 128.4 | 173.6 | -172.1 | 0 | 0 | 0 | 0 | 107.7 | M1126 P1137 L1140 C1157 H1160 | M1126-V1162 HydrophobicContact CE-CB 4.49Å; M1126-V1162 HydrophobicContact CE-CG1 4.12Å; M1126-V1162 HydrophobicContact CE-CG2 4.2Å; P1137-V1162 HydrophobicContact CB-CG1 4.32Å; P1137-V1162 WeakPolarHBondContact O-CG2 3.43Å; L1140-V1162 HydrophobicContact CB-CG1 4.24Å; C1157-V1162 CarbonylContact C-O 3.52Å; C1157-V1162 HydrophobicContact CB-CB 4.15Å; C1157-V1162 WeakPolarHBondContact CB-O 3.32Å; C1157-V1162 PolarHBondContact O-N 2.68Å; H1160-V1162 VanDerWaalsContact C-N 3.32Å; H1160-V1162 HydrophobicContact CB-CG2 3.9Å | ||
| 1163 | S | 93.8 | Very high | 83.9 | Confident | 16 Ų | 16 | 51 Ų | 51 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 151.5 | 173.7 | 63 | 0 | 0 | 0 | 0 | 111.1 | L966 H1138 N1139 L1140 | L966-S1163 WeakPolarHBondContact CD2-OG 3.03Å; H1138-S1163 PolarHBondContact O-N 3.49Å; H1138-S1163 VanDerWaalsContact O-N 3.08Å; H1138-S1163 PolarHBondContact O-OG 2.68Å; N1139-S1163 CarbonylContact C-O 3.53Å; N1139-S1163 WeakPolarHBondContact CA-O 3.39Å; N1139-S1163 WeakPolarHBondContact CA-OG 3.43Å; N1139-S1163 WeakPolarHBondContact CB-OG 3.28Å; N1139-S1163 PolarHBondContact ND2-O 3.26Å; N1139-S1163 PolarHBondContact ND2-OG 3.17Å; L1140-S1163 PolarHBondContact N-O 2.92Å |
| 1164 | F | 93 | Very high | 82.5 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.3 | -174.9 | -174.4 | -84.7 | 0 | 0 | 0 | 110.3 | L1140 V1142 C1144 Q1150 L1153 H1154 C1157 | L1140-F1164 WeakPolarHBondContact O-CA 3.18Å; V1142-F1164 HydrophobicContact CG2-CE1 4.08Å; V1142-F1164 HydrophobicContact CG2-CE2 3.54Å; V1142-F1164 HydrophobicContact CG2-CZ 3.25Å; C1144-F1164 HydrophobicContact CB-CE1 4.02Å; C1144-F1164 HydrophobicContact CB-CZ 4.24Å; Q1150-F1164 HydrophobicContact CB-CZ 3.83Å; Q1150-F1164 HydrophobicContact CG-CZ 4.44Å; L1153-F1164 HydrophobicContact CB-CE2 4.47Å; L1153-F1164 HydrophobicContact CD2-CE2 4.46Å; L1153-F1164 HydrophobicContact CG-CE2 4.17Å; H1154-F1164 HydrophobicContact CB-CD2 4.12Å; H1154-F1164 HydrophobicContact CB-CE2 4.07Å; H1154-F1164 HydrophobicContact CB-CG 4.35Å; H1154-F1164 HydrophobicContact CB-CZ 4.26Å; C1157-F1164 HydrophobicContact CB-CB 4.42Å; C1157-F1164 HydrophobicContact CB-CD2 4.27Å |
| 1165 | T | 93.6 | Very high | 80.9 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.7 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | N1139 L1140 Q1141 V1142 | N1139-T1165 PolarHBondContact ND2-OG1 3.01Å; N1139-T1165 PolarHBondContact OD1-OG1 3.32Å; N1139-T1165 VanDerWaalsContact OD1-OG1 3.08Å; L1140-T1165 PolarHBondContact O-N 2.83Å; Q1141-T1165 WeakPolarHBondContact CA-O 3.39Å; Q1141-T1165 HydrophobicContact CG-CG2 3.91Å; V1142-T1165 PolarHBondContact N-O 3.11Å |
| 1166 | A | 89.9 | Confident | 79.1 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C1144 P1169 | C1144-A1166 HydrophobicContact CB-CB 3.7Å; A1166-P1169 HydrophobicContact CB-CB 4.46Å |
| 1167 | Y | 87.1 | Confident | 77 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 155.7 | 163.1 | 79 | -103.9 | 0 | 0 | 0 | 111.4 | N1120 Q1141 V1142 E1143 C1144 | N1120-Y1167 VanDerWaalsContact OD1-CE1 3.28Å; N1120-Y1167 WeakPolarHBondContact OD1-CE1 3.4Å; N1120-Y1167 PolarHBondContact OD1-OH 2.94Å; Q1141-Y1167 HydrophobicContact CG-CD1 3.95Å; V1142-Y1167 WeakPolarHBondContact O-CD1 3.48Å; V1142-Y1167 PolarHBondContact O-N 2.96Å; E1143-Y1167 WeakPolarHBondContact CA-O 3.41Å; E1143-Y1167 HydrophobicContact CB-CD2 4.13Å; E1143-Y1167 HydrophobicContact CB-CE1 4.21Å; E1143-Y1167 HydrophobicContact CB-CE2 3.59Å; E1143-Y1167 HydrophobicContact CG-CD2 4.41Å; E1143-Y1167 HydrophobicContact CG-CE2 4.05Å; E1143-Y1167 VanDerWaalsContact N-CD1 3.31Å; C1144-Y1167 PolarHBondContact N-O 2.99Å; C1144-Y1167 VanDerWaalsContact N-O 3.13Å |
| 1168 | S | 80.9 | Confident | 74.9 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 47.7 | 45.5 | -170.6 | -63.6 | 0 | 0 | 0 | 0 | 114.9 | H1145 I1170 G1171 S1172 | H1145-S1168 WeakPolarHBondContact CB-O 3.5Å; S1168-I1170 PolarHBondContact O-N 3.44Å; S1168-I1170 VanDerWaalsContact O-N 3.1Å; S1168-G1171 WeakPolarHBondContact O-CA 3.24Å; S1168-G1171 PolarHBondContact O-N 2.9Å; S1168-S1172 WeakPolarHBondContact CB-OG 3.13Å; S1168-S1172 PolarHBondContact OG-OG 3.21Å |
| 1169 | P | 80.8 | Confident | 72.8 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.6 | -175.5 | 27.4 | -35.9 | 0 | 0 | 0 | 114.9 | C1144 H1145 A1166 | C1144-P1169 VanDerWaalsContact O-CA 3.27Å; C1144-P1169 WeakPolarHBondContact O-CA 3.36Å; H1145-P1169 WeakPolarHBondContact CB-O 3.5Å; A1166-P1169 HydrophobicContact CB-CB 4.46Å |
| 1170 | I | 74.8 | Confident | 70.6 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 18.1 | 175 | 14.5 | 175.4 | 0 | 0 | 0 | 111.6 | S1168 L1186 S1203 | S1168-I1170 PolarHBondContact O-N 3.44Å; S1168-I1170 VanDerWaalsContact O-N 3.1Å; I1170-L1186 HydrophobicContact CB-CD2 3.94Å; I1170-L1186 HydrophobicContact CB-CG 4.09Å; I1170-L1186 HydrophobicContact CG2-CD2 3.55Å; I1170-L1186 HydrophobicContact CG2-CG 3.99Å; I1170-L1186 VanDerWaalsContact O-CD1 3.27Å; I1170-L1186 WeakPolarHBondContact O-CD1 3.49Å; I1170-L1186 WeakPolarHBondContact O-CG 3.31Å; I1170-S1203 WeakPolarHBondContact CD1-O 3.17Å |
| 1171 | G | 71.3 | Confident | 68.6 | Low | 9 Ų | 9 | 64.1 Ų | 64.1 | 9% | 0.093 | 37% | 0.365 | C | S | . | . | trans | 81.9 | -177.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1168 P1173 | S1168-G1171 WeakPolarHBondContact O-CA 3.24Å; S1168-G1171 PolarHBondContact O-N 2.9Å; G1171-P1173 VanDerWaalsContact O-CD 3.25Å; G1171-P1173 WeakPolarHBondContact O-CD 3.38Å | ||
| 1172 | S | 67.7 | Low | 66.4 | Low | 23 Ų | 23 | 67.4 Ų | 67.4 | 16% | 0.161 | 38% | 0.377 | C | S | . | . | trans | -115.8 | 63.4 | 178.1 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | E1143 S1168 G1174 R1175 | E1143-S1172 PolarHBondContact OE1-OG 3.11Å; S1168-S1172 WeakPolarHBondContact CB-OG 3.13Å; S1168-S1172 PolarHBondContact OG-OG 3.21Å; S1172-G1174 PolarHBondContact O-N 3.24Å; S1172-R1175 PolarHBondContact O-N 3.35Å; S1172-R1175 PolarHBondContact OG-NH2 2.85Å | ||
| 1173 | P | 58.5 | Low | 64.6 | Low | 56 Ų | 56 | 70.3 Ų | 70.3 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 86.9 | -175.2 | 30.7 | -37.2 | 0 | 0 | 0 | 111.4 | G1171 E1184 L1186 | G1171-P1173 VanDerWaalsContact O-CD 3.25Å; G1171-P1173 WeakPolarHBondContact O-CD 3.38Å; P1173-E1184 WeakPolarHBondContact CB-OE1 3.45Å; P1173-L1186 HydrophobicContact CB-CD1 4.45Å; P1173-L1186 HydrophobicContact CG-CD1 3.94Å |
| 1174 | G | 54.8 | Low | 63.1 | Low | 39 Ų | 39 | 71.7 Ų | 71.7 | 40% | 0.402 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 164.6 | -17.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1172 G1176 | S1172-G1174 PolarHBondContact O-N 3.24Å; G1174-G1176 PolarHBondContact O-N 2.63Å |
| 1175 | R | 52.7 | Low | 62.1 | Low | 91 Ų | 91 | 69.8 Ų | 69.8 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | trans | -65.8 | 105.8 | 170.9 | -59.5 | -166.4 | -165.1 | -170.4 | 15.1 | 110.1 | W980 E1143 S1172 | W980-R1175 HydrophobicContact CH2-CG 4.28Å; E1143-R1175 IonicContact OE1-CZ 2.67Å; E1143-R1175 IonicContact OE1-NH2 2.95Å; E1143-R1175 PolarHBondContact OE1-NH2 3.46Å; E1143-R1175 IonicContact OE2-CZ 3.34Å; E1143-R1175 IonicContact OE2-NH1 2.96Å; E1143-R1175 IonicContact OE2-NH2 3.59Å; E1143-R1175 PolarHBondContact OE2-NH2 2.91Å; S1172-R1175 PolarHBondContact O-N 3.35Å; S1172-R1175 PolarHBondContact OG-NH2 2.85Å | ||
| 1176 | G | 48.3 | Very low | 61 | Low | 52 Ų | 52 | 69.3 Ų | 69.3 | 54% | 0.536 | 38% | 0.384 | S | S | . | . | trans | -67.1 | 148.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1174 H1178 | G1174-G1176 PolarHBondContact O-N 2.63Å; G1176-H1178 PolarHBondContact O-N 3.32Å | ||
| 1177 | S | 42.2 | Very low | 60.2 | Low | 132 Ų | 132 | 71.5 Ų | 71.5 | 92% | 0.923 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 49.3 | -2.1 | 173.9 | 45.5 | 0 | 0 | 0 | 0 | 119.3 | ||
| 1178 | H | 43 | Very low | 59.7 | Low | 91 Ų | 91 | 69.1 Ų | 69.1 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | trans | -78.4 | 133.5 | -176.2 | -143.4 | -47.2 | 0 | 0 | 0 | 110.6 | G1176 W1180 K1181 | G1176-H1178 PolarHBondContact O-N 3.32Å; H1178-W1180 AromaticContact CE1-CD1 3.68Å; H1178-W1180 AromaticContact ND1-CD1 3.46Å; H1178-W1180 PolarHBondContact O-N 2.8Å; H1178-K1181 WeakPolarHBondContact O-CB 3.44Å; H1178-K1181 PolarHBondContact O-N 3.03Å | ||
| 1179 | P | 41.6 | Very low | 59.5 | Low | 107 Ų | 107 | 71.6 Ų | 71.6 | 70% | 0.695 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -55.8 | -20 | -177.3 | 13.7 | -30.3 | 0 | 0 | 0 | 116.1 | K1181 | P1179-K1181 PolarHBondContact O-N 3.1Š|
| 1180 | W | 41.1 | Very low | 59.5 | Low | 181 Ų | 181 | 70.1 Ų | 70.1 | 69% | 0.686 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -72 | -7.4 | 176.8 | -58.4 | 112.1 | 0 | 0 | 0 | 114.9 | H1178 Q1182 H1183 | H1178-W1180 AromaticContact CE1-CD1 3.68Å; H1178-W1180 AromaticContact ND1-CD1 3.46Å; H1178-W1180 PolarHBondContact O-N 2.8Å; W1180-Q1182 PolarHBondContact O-N 2.97Å; W1180-H1183 PolarHBondContact O-N 3.36Å |
| 1181 | K | 43.1 | Very low | 59.7 | Low | 128 Ų | 128 | 68.6 Ų | 68.6 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -62.3 | -13.8 | -176.9 | -161.3 | -179 | 177.1 | -171.3 | 0 | 114.3 | H1178 P1179 H1183 | H1178-K1181 WeakPolarHBondContact O-CB 3.44Å; H1178-K1181 PolarHBondContact O-N 3.03Å; P1179-K1181 PolarHBondContact O-N 3.1Å; K1181-H1183 VanDerWaalsContact C-N 3.26Å; K1181-H1183 PolarHBondContact O-N 3.14Å |
| 1182 | Q | 43.1 | Very low | 60.2 | Low | 167 Ų | 167 | 72.1 Ų | 72.1 | 78% | 0.78 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -77.9 | -1.1 | 177.1 | -69.5 | -175 | -24.2 | 0 | 0 | 114.7 | W1180 | W1180-Q1182 PolarHBondContact O-N 2.97Š|
| 1183 | H | 55.2 | Low | 60.7 | Low | 67 Ų | 67 | 77.2 Ų | 77.2 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | trans | -126.8 | 66.5 | -172.6 | -59.2 | -34.7 | 0 | 0 | 0 | 112.2 | Y1147 W1180 K1181 P1185 | Y1147-H1183 HydrophobicContact CD2-CB 3.74Å; Y1147-H1183 WeakPolarHBondContact CD2-O 3.3Å; Y1147-H1183 HydrophobicContact CE2-CB 4.09Å; Y1147-H1183 HydrophobicContact CG-CB 4.35Å; W1180-H1183 PolarHBondContact O-N 3.36Å; K1181-H1183 VanDerWaalsContact C-N 3.26Å; K1181-H1183 PolarHBondContact O-N 3.14Å; H1183-P1185 WeakPolarHBondContact O-CD 3.48Å | ||
| 1184 | E | 63.4 | Low | 61.8 | Low | 45 Ų | 45 | 75.3 Ų | 75.3 | 21% | 0.21 | 40% | 0.4 | C | S | . | . | trans | -90.5 | 112.5 | 173.6 | -66.2 | -178.5 | 166 | 0 | 0 | 110.8 | P1173 L1186 N1187 | P1173-E1184 WeakPolarHBondContact CB-OE1 3.45Å; E1184-L1186 PolarHBondContact O-N 3.32Å; E1184-N1187 HydrophobicContact CB-CB 4.45Å; E1184-N1187 PolarHBondContact O-N 3.48Å; E1184-N1187 PolarHBondContact OE2-ND2 2.77Å | ||
| 1185 | P | 70.6 | Confident | 62.9 | Low | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.039 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -54.3 | -30.3 | -179.7 | -28.9 | 35.9 | 0 | 0 | 0 | 114.5 | H1145 L1146 Y1147 H1183 N1187 D1188 | H1145-P1185 HydrophobicContact CB-CG 4.19Å; L1146-P1185 HydrophobicContact CB-CB 3.93Å; L1146-P1185 HydrophobicContact CB-CG 4.17Å; L1146-P1185 HydrophobicContact CD2-CB 4.39Å; Y1147-P1185 HydrophobicContact CD2-CG 3.98Å; Y1147-P1185 HydrophobicContact CE2-CG 4.25Å; H1183-P1185 WeakPolarHBondContact O-CD 3.48Å; P1185-N1187 PolarHBondContact O-N 2.98Å; P1185-D1188 VanDerWaalsContact O-CB 3.28Å; P1185-D1188 WeakPolarHBondContact O-CB 3.42Å; P1185-D1188 PolarHBondContact O-N 2.87Å |
| 1186 | L | 71.6 | Confident | 64.2 | Low | 16 Ų | 16 | 75 Ų | 75 | 8% | 0.084 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -55.3 | -30.9 | 173.9 | -64.7 | 155 | 0 | 0 | 0 | 113.7 | I1170 P1173 E1184 K1192 V1202 S1203 Q1204 | I1170-L1186 HydrophobicContact CB-CD2 3.94Å; I1170-L1186 HydrophobicContact CB-CG 4.09Å; I1170-L1186 HydrophobicContact CG2-CD2 3.55Å; I1170-L1186 HydrophobicContact CG2-CG 3.99Å; I1170-L1186 VanDerWaalsContact O-CD1 3.27Å; I1170-L1186 WeakPolarHBondContact O-CD1 3.49Å; I1170-L1186 WeakPolarHBondContact O-CG 3.31Å; P1173-L1186 HydrophobicContact CB-CD1 4.45Å; P1173-L1186 HydrophobicContact CG-CD1 3.94Å; E1184-L1186 PolarHBondContact O-N 3.32Å; L1186-K1192 WeakPolarHBondContact O-CE 3.33Å; L1186-V1202 WeakPolarHBondContact CD2-O 3.43Å; L1186-S1203 WeakPolarHBondContact CD2-O 3.06Å; L1186-Q1204 HydrophobicContact CD1-CG 3.37Å; L1186-Q1204 HydrophobicContact CD2-CG 3.67Å; L1186-Q1204 HydrophobicContact CG-CG 4.11Å |
| 1187 | N | 71.7 | Confident | 65.8 | Low | 88 Ų | 88 | 79.2 Ų | 79.2 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -94.9 | -8 | -176.4 | -89.7 | -54.2 | 0 | 0 | 0 | 113.6 | E1184 P1185 K1192 | E1184-N1187 HydrophobicContact CB-CB 4.45Å; E1184-N1187 PolarHBondContact O-N 3.48Å; E1184-N1187 PolarHBondContact OE2-ND2 2.77Å; P1185-N1187 PolarHBondContact O-N 2.98Å; N1187-K1192 VanDerWaalsContact CA-NZ 3.33Å; N1187-K1192 WeakPolarHBondContact O-CE 3.16Å; N1187-K1192 PolarHBondContact O-NZ 3.13Å; N1187-K1192 PolarHBondContact OD1-NZ 3.31Å |
| 1188 | D | 77.5 | Confident | 67.6 | Low | 12 Ų | 12 | 75.6 Ų | 75.6 | 6% | 0.064 | 37% | 0.373 | C | S | . | . | trans | -59.1 | 130.3 | -176.5 | -171.1 | -93 | 0 | 0 | 0 | 112.9 | L1146 Y1147 P1185 L1190 A1191 K1192 V1233 | L1146-D1188 HydrophobicContact CD2-CB 4.04Å; Y1147-D1188 VanDerWaalsContact OH-CB 3.26Å; Y1147-D1188 WeakPolarHBondContact OH-CB 3.42Å; Y1147-D1188 PolarHBondContact OH-OD2 3.36Å; P1185-D1188 VanDerWaalsContact O-CB 3.28Å; P1185-D1188 WeakPolarHBondContact O-CB 3.42Å; P1185-D1188 PolarHBondContact O-N 2.87Å; D1188-L1190 PolarHBondContact O-N 3.15Å; D1188-L1190 WeakPolarHBondContact OD1-CA 3.35Å; D1188-L1190 WeakPolarHBondContact OD1-CB 3.42Å; D1188-L1190 PolarHBondContact OD1-N 2.87Å; D1188-A1191 HydrophobicContact CB-CB 3.88Å; D1188-A1191 PolarHBondContact O-N 2.92Å; D1188-A1191 PolarHBondContact OD1-N 3.44Å; D1188-K1192 WeakPolarHBondContact O-CB 3.45Å; D1188-K1192 WeakPolarHBondContact O-CG 3.38Å; D1188-K1192 PolarHBondContact O-N 2.91Å; D1188-V1233 WeakPolarHBondContact OD2-CG1 3.45Å | ||
| 1189 | P | 77.5 | Confident | 69.3 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 49% | 0.494 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.6 | -35.7 | 179.5 | -25.7 | 35.4 | 0 | 0 | 0 | 114.6 | Q1193 | P1189-Q1193 WeakPolarHBondContact O-CB 3.22Å; P1189-Q1193 PolarHBondContact O-N 3.46Å |
| 1190 | L | 80 | Confident | 71 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 21% | 0.209 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -74 | -42.2 | 178.5 | -173.5 | 73.8 | 0 | 0 | 0 | 110.6 | D1188 K1192 Q1193 I1194 A1229 L1230 V1233 | D1188-L1190 PolarHBondContact O-N 3.15Å; D1188-L1190 WeakPolarHBondContact OD1-CA 3.35Å; D1188-L1190 WeakPolarHBondContact OD1-CB 3.42Å; D1188-L1190 PolarHBondContact OD1-N 2.87Å; L1190-K1192 VanDerWaalsContact C-N 3.29Å; L1190-K1192 PolarHBondContact O-N 3.32Å; L1190-Q1193 PolarHBondContact O-N 2.94Å; L1190-Q1193 VanDerWaalsContact O-N 3.15Å; L1190-I1194 HydrophobicContact CD1-CD1 4.19Å; L1190-I1194 HydrophobicContact CD1-CG1 4.4Å; L1190-I1194 HydrophobicContact CD2-CD1 4.11Å; L1190-I1194 HydrophobicContact CG-CD1 3.78Å; L1190-I1194 HydrophobicContact CG-CG1 4.31Å; L1190-I1194 WeakPolarHBondContact O-CB 3.36Å; L1190-I1194 WeakPolarHBondContact O-CG1 3.33Å; L1190-I1194 PolarHBondContact O-N 3.21Å; L1190-A1229 HydrophobicContact CD2-CB 3.73Å; L1190-A1229 WeakPolarHBondContact CD2-O 3.31Å; L1190-L1230 HydrophobicContact CD2-CD2 4.12Å; L1190-L1230 HydrophobicContact CD2-CG 4.23Å; L1190-V1233 HydrophobicContact CB-CG2 4.11Å; L1190-V1233 HydrophobicContact CD2-CG2 3.46Å; L1190-V1233 VanDerWaalsContact CD2-CG2 3.46Å; L1190-V1233 HydrophobicContact CG-CG2 4.4Å |
| 1191 | A | 78 | Confident | 72.5 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 12% | 0.124 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1146 D1188 A1195 V1202 | L1146-A1191 HydrophobicContact CD2-CB 4.44Å; D1188-A1191 HydrophobicContact CB-CB 3.88Å; D1188-A1191 PolarHBondContact O-N 2.92Å; D1188-A1191 PolarHBondContact OD1-N 3.44Å; A1191-A1195 VanDerWaalsContact O-CB 3.22Å; A1191-A1195 WeakPolarHBondContact O-CB 3.19Å; A1191-A1195 PolarHBondContact O-N 3.35Å; A1191-V1202 HydrophobicContact CB-CG1 3.98Å |
| 1192 | K | 81.9 | Confident | 73.8 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 172.6 | -74.9 | 168.5 | 176.1 | 163.5 | 0 | 112.6 | L1186 N1187 D1188 L1190 T1196 V1202 | L1186-K1192 WeakPolarHBondContact O-CE 3.33Å; N1187-K1192 VanDerWaalsContact CA-NZ 3.33Å; N1187-K1192 WeakPolarHBondContact O-CE 3.16Å; N1187-K1192 PolarHBondContact O-NZ 3.13Å; N1187-K1192 PolarHBondContact OD1-NZ 3.31Å; D1188-K1192 WeakPolarHBondContact O-CB 3.45Å; D1188-K1192 WeakPolarHBondContact O-CG 3.38Å; D1188-K1192 PolarHBondContact O-N 2.91Å; L1190-K1192 VanDerWaalsContact C-N 3.29Å; L1190-K1192 PolarHBondContact O-N 3.32Å; K1192-T1196 WeakPolarHBondContact O-CB 3.43Å; K1192-T1196 PolarHBondContact O-N 2.73Å; K1192-T1196 PolarHBondContact O-OG1 3.48Å; K1192-V1202 HydrophobicContact CG-CG2 3.77Å |
| 1193 | Q | 79.2 | Confident | 74.5 | Confident | 131 Ų | 131 | 55.5 Ų | 55.5 | 61% | 0.612 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 178.3 | -174.4 | -179.1 | 9.1 | 0 | 0 | 112 | P1189 L1190 T1196 K1197 | P1189-Q1193 WeakPolarHBondContact O-CB 3.22Å; P1189-Q1193 PolarHBondContact O-N 3.46Å; L1190-Q1193 PolarHBondContact O-N 2.94Å; L1190-Q1193 VanDerWaalsContact O-N 3.15Å; Q1193-T1196 PolarHBondContact O-N 3.33Å; Q1193-K1197 WeakPolarHBondContact O-CB 3.43Å; Q1193-K1197 PolarHBondContact O-N 3.01Å |
| 1194 | I | 80.7 | Confident | 74.5 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.3 | -44.1 | 179.5 | -68.5 | 174.7 | 0 | 0 | 0 | 110.7 | L1190 T1196 K1197 H1198 L1222 E1226 L1230 | L1190-I1194 HydrophobicContact CD1-CD1 4.19Å; L1190-I1194 HydrophobicContact CD1-CG1 4.4Å; L1190-I1194 HydrophobicContact CD2-CD1 4.11Å; L1190-I1194 HydrophobicContact CG-CD1 3.78Å; L1190-I1194 HydrophobicContact CG-CG1 4.31Å; L1190-I1194 WeakPolarHBondContact O-CB 3.36Å; L1190-I1194 WeakPolarHBondContact O-CG1 3.33Å; L1190-I1194 PolarHBondContact O-N 3.21Å; I1194-T1196 VanDerWaalsContact C-N 3.33Å; I1194-T1196 PolarHBondContact O-N 2.96Å; I1194-K1197 WeakPolarHBondContact O-CB 3.41Å; I1194-K1197 PolarHBondContact O-N 3.13Å; I1194-H1198 PolarHBondContact O-CD2 3.16Å; I1194-H1198 VanDerWaalsContact O-CD2 3.31Å; I1194-H1198 PolarHBondContact O-N 2.73Å; I1194-H1198 VanDerWaalsContact O-N 3.09Å; I1194-L1222 HydrophobicContact CG2-CD2 3.42Å; I1194-L1222 VanDerWaalsContact CG2-CD2 3.42Å; I1194-E1226 HydrophobicContact CD1-CB 4.06Å; I1194-E1226 HydrophobicContact CD1-CG 4.01Å; I1194-E1226 HydrophobicContact CG1-CG 4.18Å; I1194-L1230 HydrophobicContact CD1-CD1 3.78Å; I1194-L1230 HydrophobicContact CD1-CD2 4.06Å; I1194-L1230 HydrophobicContact CD1-CG 3.69Å |
| 1195 | A | 78.5 | Confident | 73.9 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1191 K1197 H1198 G1199 K1200 V1202 | A1191-A1195 VanDerWaalsContact O-CB 3.22Å; A1191-A1195 WeakPolarHBondContact O-CB 3.19Å; A1191-A1195 PolarHBondContact O-N 3.35Å; A1195-K1197 PolarHBondContact O-N 2.85Å; A1195-H1198 CarbonylContact O-C 3.42Å; A1195-H1198 PolarHBondContact O-N 3.1Å; A1195-G1199 PolarHBondContact O-N 2.84Å; A1195-G1199 VanDerWaalsContact O-N 3.07Å; A1195-K1200 CarbonylContact C-O 2.91Å; A1195-K1200 PolarHBondContact O-N 2.82Å; A1195-V1202 HydrophobicContact CB-CG2 4.21Å |
| 1196 | T | 80.4 | Confident | 73 | Confident | 110 Ų | 110 | 60.1 Ų | 60.1 | 68% | 0.675 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 175.9 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | K1192 Q1193 I1194 H1198 G1199 | K1192-T1196 WeakPolarHBondContact O-CB 3.43Å; K1192-T1196 PolarHBondContact O-N 2.73Å; K1192-T1196 PolarHBondContact O-OG1 3.48Å; Q1193-T1196 PolarHBondContact O-N 3.33Å; I1194-T1196 VanDerWaalsContact C-N 3.33Å; I1194-T1196 PolarHBondContact O-N 2.96Å; T1196-H1198 VanDerWaalsContact C-N 3.3Å; T1196-H1198 PolarHBondContact O-N 3.32Å; T1196-G1199 PolarHBondContact O-N 3.08Å |
| 1197 | K | 81.5 | Confident | 72.5 | Confident | 141 Ų | 141 | 63.3 Ų | 63.3 | 61% | 0.613 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.1 | -37.6 | 177.5 | -177.2 | -175.1 | 175.2 | -174.1 | 0 | 112.8 | Q1193 I1194 A1195 E1226 | Q1193-K1197 WeakPolarHBondContact O-CB 3.43Å; Q1193-K1197 PolarHBondContact O-N 3.01Å; I1194-K1197 WeakPolarHBondContact O-CB 3.41Å; I1194-K1197 PolarHBondContact O-N 3.13Å; A1195-K1197 PolarHBondContact O-N 2.85Å; K1197-E1226 WeakPolarHBondContact CE-OE1 3.27Å; K1197-E1226 IonicContact NZ-OE1 3.68Å; K1197-E1226 PolarHBondContact NZ-OE1 3.25Å |
| 1198 | H | 80.5 | Confident | 71.8 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.2 | 179.2 | -71.2 | -75.4 | 0 | 0 | 0 | 113.9 | I1194 A1195 T1196 K1200 F1220 E1221 E1226 | I1194-H1198 PolarHBondContact O-CD2 3.16Å; I1194-H1198 VanDerWaalsContact O-CD2 3.31Å; I1194-H1198 PolarHBondContact O-N 2.73Å; I1194-H1198 VanDerWaalsContact O-N 3.09Å; A1195-H1198 CarbonylContact O-C 3.42Å; A1195-H1198 PolarHBondContact O-N 3.1Å; T1196-H1198 VanDerWaalsContact C-N 3.3Å; T1196-H1198 PolarHBondContact O-N 3.32Å; H1198-K1200 VanDerWaalsContact C-N 3.29Å; H1198-K1200 HydrophobicContact CB-CG 4.45Å; H1198-K1200 PolarHBondContact O-N 3.24Å; H1198-F1220 HydrophobicContact CB-CD2 3.8Å; H1198-F1220 HydrophobicContact CB-CE2 4.31Å; H1198-F1220 HydrophobicContact CB-CG 4.36Å; H1198-F1220 AromaticContact CD2-CD2 3.93Å; H1198-F1220 AromaticContact CG-CD2 3.65Å; H1198-F1220 AromaticContact ND1-CD2 3.95Å; H1198-E1221 PolarHBondContact CE1-O 2.83Å; H1198-E1226 IonicContact CD2-OE2 3.15Å; H1198-E1226 IonicContact CE1-OE2 3.96Å; H1198-E1226 IonicContact NE2-OE1 2.76Å; H1198-E1226 IonicContact NE2-OE2 3.65Å; H1198-E1226 PolarHBondContact NE2-OE2 3.02Å |
| 1199 | G | 78.1 | Confident | 71.1 | Confident | 69 Ų | 69 | 64 Ų | 64 | 71% | 0.711 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 25.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1195 T1196 | A1195-G1199 PolarHBondContact O-N 2.84Å; A1195-G1199 VanDerWaalsContact O-N 3.07Å; T1196-G1199 PolarHBondContact O-N 3.08Å |
| 1200 | K | 78 | Confident | 70.7 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 22% | 0.222 | 36% | 0.362 | C | S | . | . | trans | -114.5 | 175.9 | -178.5 | -64.1 | -55.5 | -163.3 | -178.4 | 0 | 111.6 | A1195 H1198 D1219 F1220 | A1195-K1200 CarbonylContact C-O 2.91Å; A1195-K1200 PolarHBondContact O-N 2.82Å; H1198-K1200 VanDerWaalsContact C-N 3.29Å; H1198-K1200 HydrophobicContact CB-CG 4.45Å; H1198-K1200 PolarHBondContact O-N 3.24Å; K1200-D1219 IonicContact NZ-OD2 3.76Å; K1200-D1219 PolarHBondContact NZ-OD2 3.31Å; K1200-F1220 HydrophobicContact CG-CD1 3.84Å; K1200-F1220 HydrophobicContact CG-CE1 3.99Å; K1200-F1220 HydrophobicContact CG-CG 4.23Å | ||
| 1201 | S | 73.3 | Confident | 70.3 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | trans | -116.9 | 157.8 | 177.6 | 81.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1202 | V | 68.5 | Low | 70 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | trans | -77.8 | -22.8 | -177.6 | -147.7 | 0 | 0 | 0 | 0 | 113.5 | L1186 A1191 K1192 A1195 | L1186-V1202 WeakPolarHBondContact CD2-O 3.43Å; A1191-V1202 HydrophobicContact CB-CG1 3.98Å; K1192-V1202 HydrophobicContact CG-CG2 3.77Å; A1195-V1202 HydrophobicContact CB-CG2 4.21Å | ||
| 1203 | S | 58.5 | Low | 69.6 | Low | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.119 | 35% | 0.352 | C | S | . | . | trans | 59.8 | 120.9 | 158.3 | -155.8 | 0 | 0 | 0 | 0 | 120.6 | I1170 L1186 S1213 N1214 | I1170-S1203 WeakPolarHBondContact CD1-O 3.17Å; L1186-S1203 WeakPolarHBondContact CD2-O 3.06Å; S1203-S1213 PolarHBondContact OG-OG 3.35Å; S1203-N1214 WeakPolarHBondContact CB-OD1 3.48Å; S1203-N1214 PolarHBondContact OG-OD1 3.12Å | ||
| 1204 | Q | 54.6 | Low | 69.3 | Low | 87 Ų | 87 | 55.1 Ų | 55.1 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | trans | -111.9 | 136.3 | 173.9 | -80.6 | -179.8 | -26.3 | 0 | 0 | 111.9 | L1186 H1210 | L1186-Q1204 HydrophobicContact CD1-CG 3.37Å; L1186-Q1204 HydrophobicContact CD2-CG 3.67Å; L1186-Q1204 HydrophobicContact CG-CG 4.11Å; Q1204-H1210 WeakPolarHBondContact O-CB 3.48Å; Q1204-H1210 VanDerWaalsContact O-CG 3.24Å; Q1204-H1210 PolarHBondContact O-ND1 2.87Å | ||
| 1205 | S | 52.1 | Low | 69 | Low | 43 Ų | 43 | 55.8 Ų | 55.8 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -113.8 | 109.7 | -178.2 | 168.6 | 0 | 0 | 0 | 0 | 116.1 | N1214 | S1205-N1214 VanDerWaalsContact CB-ND2 3.34Å; S1205-N1214 WeakPolarHBondContact CB-ND2 3.09Å |
| 1206 | T | 51 | Low | 68.7 | Low | 85 Ų | 85 | 59.4 Ų | 59.4 | 52% | 0.521 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -153.7 | -29.2 | 138.6 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1207 | N | 61.9 | Low | 68.3 | Low | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -60 | 126.5 | 170.7 | -174.5 | -11.7 | 0 | 0 | 0 | 111.3 | S1209 H1210 I1211 | N1207-S1209 PolarHBondContact ND2-OG 3.38Å; N1207-S1209 PolarHBondContact O-N 2.74Å; N1207-S1209 PolarHBondContact OD1-N 2.89Å; N1207-S1209 PolarHBondContact OD1-OG 2.79Å; N1207-H1210 PolarHBondContact O-N 3.41Å; N1207-I1211 PolarHBondContact O-N 3.47Å |
| 1208 | P | 56.7 | Low | 67.7 | Low | 48 Ų | 48 | 53.8 Ų | 53.8 | 31% | 0.312 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -49 | -28.6 | 176.9 | -33.1 | 38.1 | 0 | 0 | 0 | 116.4 | K993 | K993-P1208 HydrophobicContact CB-CB 4.17Å; K993-P1208 HydrophobicContact CG-CB 4.04Å |
| 1209 | S | 63.2 | Low | 67.3 | Low | 66 Ų | 66 | 56.1 Ų | 56.1 | 46% | 0.462 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 176.3 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | N1207 | N1207-S1209 PolarHBondContact ND2-OG 3.38Å; N1207-S1209 PolarHBondContact O-N 2.74Å; N1207-S1209 PolarHBondContact OD1-N 2.89Å; N1207-S1209 PolarHBondContact OD1-OG 2.79Å |
| 1210 | H | 68.3 | Low | 67.1 | Low | 68 Ų | 68 | 56.1 Ų | 56.1 | 32% | 0.315 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -92.9 | -19.3 | -173 | -57.7 | 168.3 | 0 | 0 | 0 | 113.7 | Q1204 N1207 A1212 S1213 N1214 | Q1204-H1210 WeakPolarHBondContact O-CB 3.48Å; Q1204-H1210 VanDerWaalsContact O-CG 3.24Å; Q1204-H1210 PolarHBondContact O-ND1 2.87Å; N1207-H1210 PolarHBondContact O-N 3.41Å; H1210-A1212 PolarHBondContact O-N 3.34Å; H1210-S1213 VanDerWaalsContact CA-OG 3.3Å; H1210-S1213 WeakPolarHBondContact CA-OG 3.26Å; H1210-S1213 PolarHBondContact O-N 2.96Å; H1210-S1213 VanDerWaalsContact O-N 3.12Å; H1210-S1213 PolarHBondContact O-OG 3.21Å; H1210-N1214 PolarHBondContact O-N 3.21Å |
| 1211 | I | 71.1 | Confident | 67 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60 | -36 | 172.9 | -65.2 | 170.8 | 0 | 0 | 0 | 109.7 | Y977 G990 A994 V997 Y999 N1207 | Y977-I1211 HydrophobicContact CE2-CD1 3.66Å; Y977-I1211 HydrophobicContact CE2-CG1 4.1Å; G990-I1211 WeakPolarHBondContact O-CD1 3.12Å; A994-I1211 HydrophobicContact CB-CG2 3.84Å; V997-I1211 HydrophobicContact CG2-CG2 4Å; Y999-I1211 HydrophobicContact CD2-CG2 4.17Å; Y999-I1211 HydrophobicContact CE2-CG2 3.76Å; N1207-I1211 PolarHBondContact O-N 3.47Å |
| 1212 | A | 72.1 | Confident | 67.2 | Low | 31 Ų | 31 | 59.2 Ų | 59.2 | 26% | 0.256 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V997 H1210 F1215 | V997-A1212 HydrophobicContact CG1-CB 4.06Å; H1210-A1212 PolarHBondContact O-N 3.34Å; A1212-F1215 PolarHBondContact O-N 3.48Å |
| 1213 | S | 73.3 | Confident | 67.6 | Low | 30 Ų | 30 | 60.7 Ų | 60.7 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.1 | -28.2 | -180 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | S1203 H1210 F1215 Q1216 | S1203-S1213 PolarHBondContact OG-OG 3.35Å; H1210-S1213 VanDerWaalsContact CA-OG 3.3Å; H1210-S1213 WeakPolarHBondContact CA-OG 3.26Å; H1210-S1213 PolarHBondContact O-N 2.96Å; H1210-S1213 VanDerWaalsContact O-N 3.12Å; H1210-S1213 PolarHBondContact O-OG 3.21Å; S1213-F1215 VanDerWaalsContact C-N 3.33Å; S1213-Q1216 PolarHBondContact O-N 2.9Å |
| 1214 | N | 73.6 | Confident | 68 | Low | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.16 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 171.9 | -81.3 | 10.9 | 0 | 0 | 0 | 112.8 | Y999 S1203 S1205 H1210 Q1216 L1217 | Y999-N1214 WeakPolarHBondContact OH-CB 3.11Å; S1203-N1214 WeakPolarHBondContact CB-OD1 3.48Å; S1203-N1214 PolarHBondContact OG-OD1 3.12Å; S1205-N1214 VanDerWaalsContact CB-ND2 3.34Å; S1205-N1214 WeakPolarHBondContact CB-ND2 3.09Å; H1210-N1214 PolarHBondContact O-N 3.21Å; N1214-Q1216 VanDerWaalsContact C-N 3.26Å; N1214-Q1216 PolarHBondContact O-N 2.85Å; N1214-L1217 PolarHBondContact O-N 3.03Å |
| 1215 | F | 74.3 | Confident | 69 | Low | 30 Ų | 30 | 65.9 Ų | 65.9 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.5 | -21.1 | 179.7 | -154.1 | -105 | 0 | 0 | 0 | 112.9 | V997 G998 Y999 A1212 S1213 L1217 | V997-F1215 WeakPolarHBondContact O-CD1 3.31Å; V997-F1215 VanDerWaalsContact O-CE1 3.29Å; V997-F1215 WeakPolarHBondContact O-CE1 3.27Å; G998-F1215 VanDerWaalsContact C-CE2 3.44Å; G998-F1215 VanDerWaalsContact C-CZ 3.48Å; G998-F1215 WeakPolarHBondContact O-CE2 3.24Å; G998-F1215 WeakPolarHBondContact O-CZ 3.14Å; Y999-F1215 AromaticContact CD2-CD2 3.75Å; Y999-F1215 HydrophobicContact CD2-CD2 3.75Å; Y999-F1215 HydrophobicContact CD2-CE2 4.28Å; Y999-F1215 HydrophobicContact CE2-CB 4.16Å; Y999-F1215 AromaticContact CE2-CD2 3.72Å; Y999-F1215 HydrophobicContact CE2-CD2 3.72Å; Y999-F1215 HydrophobicContact CE2-CG 4.36Å; Y999-F1215 HydrophobicContact CG-CD2 4.37Å; A1212-F1215 PolarHBondContact O-N 3.48Å; S1213-F1215 VanDerWaalsContact C-N 3.33Å; F1215-L1217 PolarHBondContact O-N 2.94Å; F1215-L1217 VanDerWaalsContact O-N 3.16Å |
| 1216 | Q | 72.8 | Confident | 70.3 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -72.8 | 7.1 | 175.7 | -68.7 | -176.2 | 11.5 | 0 | 0 | 114.9 | S1213 N1214 F1218 D1219 | S1213-Q1216 PolarHBondContact O-N 2.9Å; N1214-Q1216 VanDerWaalsContact C-N 3.26Å; N1214-Q1216 PolarHBondContact O-N 2.85Å; Q1216-F1218 PolarHBondContact O-N 2.81Å; Q1216-D1219 WeakPolarHBondContact CB-OD2 3.44Å; Q1216-D1219 WeakPolarHBondContact O-CB 3.4Å; Q1216-D1219 VanDerWaalsContact O-CG 3.27Å; Q1216-D1219 PolarHBondContact O-N 2.95Å; Q1216-D1219 VanDerWaalsContact O-N 3.17Å |
| 1217 | L | 70.7 | Confident | 71.4 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -62.9 | -26.6 | 179 | 86 | 86.4 | 0 | 0 | 0 | 112.3 | V975 N1214 F1215 D1219 | V975-L1217 HydrophobicContact CG2-CD2 3.58Å; V975-L1217 HydrophobicContact CG2-CG 4.5Å; N1214-L1217 PolarHBondContact O-N 3.03Å; F1215-L1217 PolarHBondContact O-N 2.94Å; F1215-L1217 VanDerWaalsContact O-N 3.16Å; L1217-D1219 PolarHBondContact O-N 3.4Å |
| 1218 | F | 69.4 | Low | 71.8 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 23% | 0.232 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -74.6 | -6.8 | 179.3 | -58 | -57 | 0 | 0 | 0 | 114 | K962 V975 Q1216 | K962-F1218 HydrophobicContact CB-CD1 4.38Å; K962-F1218 HydrophobicContact CB-CE1 3.72Å; K962-F1218 HydrophobicContact CB-CZ 4Å; K962-F1218 HydrophobicContact CD-CD1 3.72Å; K962-F1218 HydrophobicContact CD-CE1 3.84Å; K962-F1218 HydrophobicContact CG-CD1 3.93Å; K962-F1218 HydrophobicContact CG-CE1 3.79Å; K962-F1218 HydrophobicContact CG-CZ 4.32Å; V975-F1218 HydrophobicContact CG2-CE1 4.48Å; V975-F1218 HydrophobicContact CG2-CE2 4.11Å; V975-F1218 HydrophobicContact CG2-CZ 3.67Å; Q1216-F1218 PolarHBondContact O-N 2.81Å |
| 1219 | D | 73 | Confident | 72.5 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -82.2 | -11.7 | -177.8 | -55.5 | -9.3 | 0 | 0 | 0 | 113.5 | K1200 Q1216 L1217 | K1200-D1219 IonicContact NZ-OD2 3.76Å; K1200-D1219 PolarHBondContact NZ-OD2 3.31Å; Q1216-D1219 WeakPolarHBondContact CB-OD2 3.44Å; Q1216-D1219 WeakPolarHBondContact O-CB 3.4Å; Q1216-D1219 VanDerWaalsContact O-CG 3.27Å; Q1216-D1219 PolarHBondContact O-N 2.95Å; Q1216-D1219 VanDerWaalsContact O-N 3.17Å; L1217-D1219 PolarHBondContact O-N 3.4Å |
| 1220 | F | 73.3 | Confident | 72.9 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | trans | -146.8 | 161.8 | -174.2 | 80.9 | -73.7 | 0 | 0 | 0 | 112.3 | H1198 K1200 L1222 | H1198-F1220 HydrophobicContact CB-CD2 3.8Å; H1198-F1220 HydrophobicContact CB-CE2 4.31Å; H1198-F1220 HydrophobicContact CB-CG 4.36Å; H1198-F1220 AromaticContact CD2-CD2 3.93Å; H1198-F1220 AromaticContact CG-CD2 3.65Å; H1198-F1220 AromaticContact ND1-CD2 3.95Å; K1200-F1220 HydrophobicContact CG-CD1 3.84Å; K1200-F1220 HydrophobicContact CG-CE1 3.99Å; K1200-F1220 HydrophobicContact CG-CG 4.23Å; F1220-L1222 HydrophobicContact CE2-CD2 3.95Å; F1220-L1222 HydrophobicContact CE2-CG 4.44Å | ||
| 1221 | E | 75.8 | Confident | 72.9 | Confident | 132 Ų | 132 | 64.9 Ų | 64.9 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | trans | -136.6 | 142.4 | 179.5 | -65.2 | -172.8 | 153.6 | 0 | 0 | 111.3 | H1198 | H1198-E1221 PolarHBondContact CE1-O 2.83Š| ||
| 1222 | L | 76.7 | Confident | 72.6 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | trans | -87 | 137.2 | 175.8 | -59.6 | 175.6 | 0 | 0 | 0 | 109.9 | I1194 F1220 E1226 M1227 L1230 | I1194-L1222 HydrophobicContact CG2-CD2 3.42Å; I1194-L1222 VanDerWaalsContact CG2-CD2 3.42Å; F1220-L1222 HydrophobicContact CE2-CD2 3.95Å; F1220-L1222 HydrophobicContact CE2-CG 4.44Å; L1222-E1226 HydrophobicContact CB-CB 4.27Å; L1222-E1226 HydrophobicContact CD2-CB 4.34Å; L1222-M1227 HydrophobicContact CB-CG 3.86Å; L1222-M1227 HydrophobicContact CB-SD 4.18Å; L1222-M1227 HydrophobicContact CD1-SD 3.92Å; L1222-L1230 HydrophobicContact CD1-CD1 3.69Å | ||
| 1223 | N | 77.2 | Confident | 72.2 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | trans | -83.8 | 165.8 | 172.5 | 55.7 | 75.7 | 0 | 0 | 0 | 112 | A1225 E1226 M1227 | N1223-A1225 PolarHBondContact O-N 2.93Å; N1223-A1225 VanDerWaalsContact O-N 3.1Å; N1223-A1225 PolarHBondContact OD1-N 3.3Å; N1223-E1226 PolarHBondContact ND2-OE1 2.8Å; N1223-E1226 PolarHBondContact ND2-OE2 1.94Å; N1223-E1226 WeakPolarHBondContact O-CA 3.25Å; N1223-E1226 WeakPolarHBondContact O-CB 2.89Å; N1223-E1226 PolarHBondContact O-N 3.4Å; N1223-E1226 PolarHBondContact OD1-N 3.49Å; N1223-E1226 VanDerWaalsContact OD1-N 3.17Å; N1223-M1227 PolarHBondContact O-N 2.83Å | ||
| 1224 | D | 67.8 | Low | 71 | Confident | 144 Ų | 144 | 73.6 Ų | 73.6 | 77% | 0.77 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -55 | -32.4 | -177.4 | -65 | -44.9 | 0 | 0 | 0 | 114 | K1228 | D1224-K1228 WeakPolarHBondContact O-CB 3.46Å; D1224-K1228 PolarHBondContact O-N 3Å |
| 1225 | A | 74.3 | Confident | 69.4 | Low | 70 Ų | 70 | 80.5 Ų | 80.5 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -72.5 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1223 A1229 | N1223-A1225 PolarHBondContact O-N 2.93Å; N1223-A1225 VanDerWaalsContact O-N 3.1Å; N1223-A1225 PolarHBondContact OD1-N 3.3Å; A1225-A1229 WeakPolarHBondContact O-CB 3.37Å; A1225-A1229 PolarHBondContact O-N 3.33Å |
| 1226 | E | 81.1 | Confident | 67.5 | Low | 12 Ų | 12 | 90.6 Ų | 90.6 | 6% | 0.056 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.9 | -44.4 | 172.7 | -77.5 | 158 | -155.1 | 0 | 0 | 112.1 | I1194 K1197 H1198 L1222 N1223 A1229 L1230 | I1194-E1226 HydrophobicContact CD1-CB 4.06Å; I1194-E1226 HydrophobicContact CD1-CG 4.01Å; I1194-E1226 HydrophobicContact CG1-CG 4.18Å; K1197-E1226 WeakPolarHBondContact CE-OE1 3.27Å; K1197-E1226 IonicContact NZ-OE1 3.68Å; K1197-E1226 PolarHBondContact NZ-OE1 3.25Å; H1198-E1226 IonicContact CD2-OE2 3.15Å; H1198-E1226 IonicContact CE1-OE2 3.96Å; H1198-E1226 IonicContact NE2-OE1 2.76Å; H1198-E1226 IonicContact NE2-OE2 3.65Å; H1198-E1226 PolarHBondContact NE2-OE2 3.02Å; L1222-E1226 HydrophobicContact CB-CB 4.27Å; L1222-E1226 HydrophobicContact CD2-CB 4.34Å; N1223-E1226 PolarHBondContact ND2-OE1 2.8Å; N1223-E1226 PolarHBondContact ND2-OE2 1.94Å; N1223-E1226 WeakPolarHBondContact O-CA 3.25Å; N1223-E1226 WeakPolarHBondContact O-CB 2.89Å; N1223-E1226 PolarHBondContact O-N 3.4Å; N1223-E1226 PolarHBondContact OD1-N 3.49Å; N1223-E1226 VanDerWaalsContact OD1-N 3.17Å; E1226-A1229 PolarHBondContact O-N 3.44Å; E1226-L1230 WeakPolarHBondContact O-CB 3.43Å; E1226-L1230 WeakPolarHBondContact O-CG 3.48Å; E1226-L1230 PolarHBondContact O-N 3.09Å |
| 1227 | M | 72.3 | Confident | 65.4 | Low | 88 Ų | 88 | 93.3 Ų | 93.3 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 174.1 | -78.9 | -69.5 | -72.7 | 0 | 0 | 111.4 | L1222 N1223 L1230 N1231 | L1222-M1227 HydrophobicContact CB-CG 3.86Å; L1222-M1227 HydrophobicContact CB-SD 4.18Å; L1222-M1227 HydrophobicContact CD1-SD 3.92Å; N1223-M1227 PolarHBondContact O-N 2.83Å; M1227-L1230 PolarHBondContact O-N 3.35Å; M1227-N1231 WeakPolarHBondContact O-CB 3.26Å; M1227-N1231 PolarHBondContact O-N 3.34Å; M1227-N1231 PolarHBondContact O-ND2 3.31Å; M1227-N1231 VanDerWaalsContact O-ND2 3.11Å |
| 1228 | K | 70.4 | Confident | 63.3 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.9 | -47.9 | 174.8 | -179.9 | 174 | 173.5 | 178.9 | 0 | 111.4 | D1224 L1230 N1231 E1232 | D1224-K1228 WeakPolarHBondContact O-CB 3.46Å; D1224-K1228 PolarHBondContact O-N 3Å; K1228-L1230 VanDerWaalsContact C-N 3.31Å; K1228-L1230 PolarHBondContact O-N 2.94Å; K1228-N1231 PolarHBondContact O-N 2.8Å; K1228-E1232 WeakPolarHBondContact CE-OE1 3.23Å; K1228-E1232 IonicContact NZ-OE1 3.66Å; K1228-E1232 WeakPolarHBondContact O-CB 3.04Å; K1228-E1232 WeakPolarHBondContact O-CG 3.23Å; K1228-E1232 PolarHBondContact O-N 2.98Å |
| 1229 | A | 72.9 | Confident | 61.2 | Low | 30 Ų | 30 | 99.5 Ų | 99.5 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1190 A1225 E1226 E1232 V1233 | L1190-A1229 HydrophobicContact CD2-CB 3.73Å; L1190-A1229 WeakPolarHBondContact CD2-O 3.31Å; A1225-A1229 WeakPolarHBondContact O-CB 3.37Å; A1225-A1229 PolarHBondContact O-N 3.33Å; E1226-A1229 PolarHBondContact O-N 3.44Å; A1229-E1232 CarbonylContact O-C 3.52Å; A1229-E1232 WeakPolarHBondContact O-CA 3.32Å; A1229-E1232 WeakPolarHBondContact O-CB 3.44Å; A1229-E1232 PolarHBondContact O-N 3.04Å; A1229-V1233 WeakPolarHBondContact O-CG2 2.99Å; A1229-V1233 PolarHBondContact O-N 2.89Å |
| 1230 | L | 71.1 | Confident | 58.8 | Low | 26 Ų | 26 | 104 Ų | 104 | 14% | 0.136 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 174 | -75 | 164.2 | 0 | 0 | 0 | 112.6 | L1146 L1190 I1194 L1222 E1226 M1227 K1228 E1232 V1233 | L1146-L1230 HydrophobicContact CD1-CB 4.04Å; L1146-L1230 HydrophobicContact CD1-CD2 3.79Å; L1146-L1230 VanDerWaalsContact CD1-O 3.29Å; L1146-L1230 WeakPolarHBondContact CD1-O 3.37Å; L1146-L1230 HydrophobicContact CD2-CD2 4.33Å; L1190-L1230 HydrophobicContact CD2-CD2 4.12Å; L1190-L1230 HydrophobicContact CD2-CG 4.23Å; I1194-L1230 HydrophobicContact CD1-CD1 3.78Å; I1194-L1230 HydrophobicContact CD1-CD2 4.06Å; I1194-L1230 HydrophobicContact CD1-CG 3.69Å; L1222-L1230 HydrophobicContact CD1-CD1 3.69Å; E1226-L1230 WeakPolarHBondContact O-CB 3.43Å; E1226-L1230 WeakPolarHBondContact O-CG 3.48Å; E1226-L1230 PolarHBondContact O-N 3.09Å; M1227-L1230 PolarHBondContact O-N 3.35Å; K1228-L1230 VanDerWaalsContact C-N 3.31Å; K1228-L1230 PolarHBondContact O-N 2.94Å; L1230-E1232 PolarHBondContact O-N 3.1Å; L1230-V1233 HydrophobicContact CD2-CG2 4.49Å; L1230-V1233 WeakPolarHBondContact O-CB 3.43Å; L1230-V1233 PolarHBondContact O-N 3.31Å |
| 1231 | N | 67.3 | Low | 56.5 | Low | 88 Ų | 88 | 105.6 Ų | 105.6 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -23.9 | 171.8 | -70.6 | -31 | 0 | 0 | 0 | 112.4 | F1151 M1227 K1228 | F1151-N1231 HydrophobicContact CZ-CB 4.13Å; F1151-N1231 WeakPolarHBondContact CZ-OD1 3.42Å; M1227-N1231 WeakPolarHBondContact O-CB 3.26Å; M1227-N1231 PolarHBondContact O-N 3.34Å; M1227-N1231 PolarHBondContact O-ND2 3.31Å; M1227-N1231 VanDerWaalsContact O-ND2 3.11Å; K1228-N1231 PolarHBondContact O-N 2.8Å |
| 1232 | E | 66.3 | Low | 54 | Low | 124 Ų | 124 | 108.7 Ų | 108.7 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 3.4 | 173.3 | -70.4 | 173.1 | -179.5 | 0 | 0 | 113.6 | K1228 A1229 L1230 K1234 | K1228-E1232 WeakPolarHBondContact CE-OE1 3.23Å; K1228-E1232 IonicContact NZ-OE1 3.66Å; K1228-E1232 WeakPolarHBondContact O-CB 3.04Å; K1228-E1232 WeakPolarHBondContact O-CG 3.23Å; K1228-E1232 PolarHBondContact O-N 2.98Å; A1229-E1232 CarbonylContact O-C 3.52Å; A1229-E1232 WeakPolarHBondContact O-CA 3.32Å; A1229-E1232 WeakPolarHBondContact O-CB 3.44Å; A1229-E1232 PolarHBondContact O-N 3.04Å; L1230-E1232 PolarHBondContact O-N 3.1Å; E1232-K1234 PolarHBondContact O-N 2.81Å |
| 1233 | V | 62.7 | Low | 51.3 | Low | 20 Ų | 20 | 113.2 Ų | 113.2 | 12% | 0.121 | 55% | 0.551 | C | S | . | * | trans | -76.1 | 68.1 | 174.9 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | L1146 Y1147 D1188 L1190 A1229 L1230 | L1146-V1233 HydrophobicContact CD1-CB 4Å; L1146-V1233 HydrophobicContact CD1-CG1 4.37Å; L1146-V1233 HydrophobicContact CD1-CG2 4.45Å; L1146-V1233 HydrophobicContact CD2-CB 4.24Å; L1146-V1233 HydrophobicContact CD2-CG1 3.74Å; L1146-V1233 HydrophobicContact CG-CB 4.02Å; L1146-V1233 HydrophobicContact CG-CG1 3.85Å; Y1147-V1233 HydrophobicContact CD1-CG1 4.08Å; Y1147-V1233 HydrophobicContact CE1-CG1 3.51Å; D1188-V1233 WeakPolarHBondContact OD2-CG1 3.45Å; L1190-V1233 HydrophobicContact CB-CG2 4.11Å; L1190-V1233 HydrophobicContact CD2-CG2 3.46Å; L1190-V1233 VanDerWaalsContact CD2-CG2 3.46Å; L1190-V1233 HydrophobicContact CG-CG2 4.4Å; A1229-V1233 WeakPolarHBondContact O-CG2 2.99Å; A1229-V1233 PolarHBondContact O-N 2.89Å; L1230-V1233 HydrophobicContact CD2-CG2 4.49Å; L1230-V1233 WeakPolarHBondContact O-CB 3.43Å; L1230-V1233 PolarHBondContact O-N 3.31Å | ||
| 1234 | K | 48.7 | Very low | 48.5 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 44% | 0.439 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -141.6 | 149.9 | 158.8 | -68.2 | -165.6 | 172.2 | -162.7 | 0 | 109.5 | Y1147 E1232 | Y1147-K1234 VanDerWaalsContact C-CE 3.42Å; Y1147-K1234 WeakPolarHBondContact O-CE 3.38Å; Y1147-K1234 PolarHBondContact O-NZ 2.8Å; E1232-K1234 PolarHBondContact O-N 2.81Å |
| 1235 | I | 40.1 | Very low | 46.3 | Very low | 175 Ų | 175 | 119.9 Ų | 119.9 | 90% | 0.897 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 67.5 | 55 | 172.8 | -33.9 | 168.7 | 0 | 0 | 0 | 114.4 | ||
| 1236 | R | 32.5 | Very low | 43.8 | Very low | 242 Ų | 242 | 123.2 Ų | 123.2 | 91% | 0.913 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -120.9 | -28.3 | 161 | -94.4 | -170.4 | 175.2 | -169.6 | -0.2 | 115.6 | ||
| 1237 | E | 29 | Very low | 40.9 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 67% | 0.668 | 62% | 0.616 | S | S | * | * | trans | -111.2 | 68.6 | -176.7 | -65.5 | -170.9 | -176.7 | 0 | 0 | 112.7 | ||||
| 1238 | R | 26.8 | Very low | 38.5 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 62% | 0.623 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -133.2 | 115.8 | 150.4 | -82.6 | -167.5 | 174.7 | -178.1 | -1.2 | 109.7 | Q1263 | R1238-Q1263 PolarHBondContact NH1-O 3.18Å; R1238-Q1263 VanDerWaalsContact NH1-O 3.12Å |
| 1239 | I | 25.9 | Very low | 36.1 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 51% | 0.513 | 65% | 0.645 | S | S | . | * | trans | 76.7 | 92.8 | 168.2 | -60.6 | 144.3 | 0 | 0 | 0 | 115 | P1261 | I1239-P1261 HydrophobicContact CB-CG 4.32Å; I1239-P1261 HydrophobicContact CD1-CB 4.15Å; I1239-P1261 HydrophobicContact CD1-CG 3.79Å; I1239-P1261 HydrophobicContact CG2-CG 3.98Å | ||
| 1240 | F | 21.5 | Very low | 33.6 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 88% | 0.877 | 67% | 0.672 | S | S | * | * | trans | -133.3 | 114.4 | 164.9 | -133.6 | -77.1 | 0 | 0 | 0 | 107.4 | ||||
| 1241 | P | 26.7 | Very low | 31.1 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | -93.3 | 175.4 | 173 | 35.8 | -32.6 | 0 | 0 | 0 | 112.2 | ||||
| 1242 | F | 22.5 | Very low | 28.9 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -47.5 | 142.4 | 166.1 | -73.9 | -114.1 | 0 | 0 | 0 | 110.2 | ||||
| 1243 | L | 19.8 | Very low | 26.9 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | -159.6 | 161.3 | 56.3 | -164.3 | 67.9 | 0 | 0 | 0 | 112.4 | |||||
| 1244 | W | 17.8 | Very low | 24.9 | Very low | 238 Ų | 238 | 150.8 Ų | 150.8 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | -68.1 | 150.5 | 166.2 | -83.8 | 0.4 | 0 | 0 | 0 | 112.9 | ||||
| 1245 | C | 22.5 | Very low | 23.5 | Very low | 117 Ų | 117 | 149 Ų | 149 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | -174.3 | 119.2 | 118.7 | -88.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1246 | D | 21.3 | Very low | 22.4 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | 38.8 | 130.4 | 146.8 | -57.3 | -33.1 | 0 | 0 | 0 | 125.2 | ||||
| 1247 | L | 20.4 | Very low | 21.9 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | trans | 29.6 | 119.9 | 138.7 | -86.5 | 59.4 | 0 | 0 | 0 | 118.5 | ||||
| 1248 | H | 22.1 | Very low | 21.6 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | -173.9 | 160.4 | 75 | -101.9 | -69.7 | 0 | 0 | 0 | 114.1 | |||||
| 1249 | F | 19.9 | Very low | 21.5 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 87% | 0.873 | 72% | 0.719 | S | S | * | * | trans | 55.1 | 127.7 | 156.4 | -87.5 | -86.4 | 0 | 0 | 0 | 122 | ||||
| 1250 | A | 20.1 | Very low | 21.3 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -79.5 | 137.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1251 | S | 20 | Very low | 21.5 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | trans | -153.6 | 138.6 | 136.1 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1252 | V | 21.2 | Very low | 21.2 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | -55.7 | 143.7 | 178.2 | 165.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1253 | I | 23.4 | Very low | 21.2 | Very low | 149 Ų | 149 | 130 Ų | 130 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | trans | 60 | 104.3 | 175.2 | -57.4 | 153.5 | 0 | 0 | 0 | 115 | ||||
| 1254 | V | 20.1 | Very low | 21.4 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 67% | 0.667 | 70% | 0.704 | S | S | * | * | -162.3 | 123.4 | 113.3 | 138.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1255 | L | 19.1 | Very low | 21.6 | Very low | 65 Ų | 65 | 123.9 Ų | 123.9 | 34% | 0.34 | 70% | 0.699 | S | S | . | * | trans | 55.7 | 136 | 154.4 | -89.7 | 57.8 | 0 | 0 | 0 | 122.4 | H1515 K1517 | L1255-H1515 WeakPolarHBondContact CD1-O 3.09Å; L1255-H1515 WeakPolarHBondContact CD2-O 2.93Å; L1255-K1517 HydrophobicContact CD2-CB 4.42Å; L1255-K1517 HydrophobicContact CD2-CD 3.74Å; L1255-K1517 HydrophobicContact CD2-CG 3.91Å; L1255-K1517 HydrophobicContact CG-CD 4.21Å | ||
| 1256 | N | 18.7 | Very low | 21.8 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 49% | 0.487 | 71% | 0.706 | S | S | . | * | 22.2 | 125.8 | 104.3 | -49.9 | -90.4 | 0 | 0 | 0 | 115.8 | K1517 | N1256-K1517 PolarHBondContact ND2-NZ 2.99Å; N1256-K1517 PolarHBondContact OD1-NZ 2.95Å | |||
| 1257 | C | 21.1 | Very low | 22.3 | Very low | 87 Ų | 87 | 125.8 Ų | 125.8 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | -174.7 | 149.6 | 69.4 | -117.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1258 | L | 23 | Very low | 23 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 71% | 0.707 | 70% | 0.698 | S | S | * | * | trans | 61.8 | 116.7 | 153.7 | -55.6 | 164.8 | 0 | 0 | 0 | 117.1 | ||||
| 1259 | I | 23.7 | Very low | 23.9 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | -143.4 | 122.6 | 95.7 | -93.2 | 150.3 | 0 | 0 | 0 | 107.6 | |||||
| 1260 | M | 22.6 | Very low | 25.5 | Very low | 162 Ų | 162 | 117.5 Ų | 117.5 | 80% | 0.798 | 67% | 0.672 | S | S | * | * | trans | -95.6 | 144.1 | 153.3 | -56.6 | 176.2 | 88.9 | 0 | 0 | 105.5 | ||||
| 1261 | P | 25 | Very low | 27.9 | Very low | 54 Ų | 54 | 119 Ų | 119 | 35% | 0.351 | 66% | 0.66 | S | S | . | * | -129.2 | 123.5 | 108.5 | -2.1 | 23.9 | 0 | 0 | 0 | 114.9 | I1239 | I1239-P1261 HydrophobicContact CB-CG 4.32Å; I1239-P1261 HydrophobicContact CD1-CB 4.15Å; I1239-P1261 HydrophobicContact CD1-CG 3.79Å; I1239-P1261 HydrophobicContact CG2-CG 3.98Å | |||
| 1262 | V | 21 | Very low | 31 | Very low | 111 Ų | 111 | 116 Ų | 116 | 67% | 0.673 | 64% | 0.638 | S | S | * | * | 61.1 | 137.8 | 126.3 | -177.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 1263 | Q | 22 | Very low | 33.9 | Very low | 152 Ų | 152 | 111.7 Ų | 111.7 | 71% | 0.71 | 61% | 0.612 | S | S | * | * | trans | 66.9 | 112.8 | 171.7 | -77.3 | 162.1 | -14.6 | 0 | 0 | 116.1 | R1238 | R1238-Q1263 PolarHBondContact NH1-O 3.18Å; R1238-Q1263 VanDerWaalsContact NH1-O 3.12Å | ||
| 1264 | E | 23.8 | Very low | 36.9 | Very low | 186 Ų | 186 | 108.9 Ų | 108.9 | 87% | 0.869 | 60% | 0.602 | S | S | * | * | cis | -132 | 161.5 | 1.8 | -67.2 | -177.6 | 121.1 | 0 | 0 | 111.3 | ||||
| 1265 | G | 23.7 | Very low | 40.1 | Very low | 79 Ų | 79 | 103.8 Ų | 103.8 | 81% | 0.814 | 57% | 0.571 | S | S | * | * | trans | -92.1 | 123.7 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1266 | Y | 25.7 | Very low | 43 | Very low | 235 Ų | 235 | 104.2 Ų | 104.2 | 92% | 0.922 | 57% | 0.571 | S | S | * | * | trans | -113.1 | 124.6 | 154.4 | -87.5 | -97 | 0 | 0 | 0 | 108.9 | ||||
| 1267 | A | 32.5 | Very low | 46 | Very low | 62 Ų | 62 | 103.1 Ų | 103.1 | 51% | 0.512 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -82.3 | 136.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1268 | M | 34.2 | Very low | 48.9 | Very low | 159 Ų | 159 | 101.3 Ų | 101.3 | 78% | 0.783 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 139.1 | 168 | -74.7 | -77.7 | -78.3 | 0 | 0 | 109.8 | S1270 | M1268-S1270 PolarHBondContact O-N 2.97Š|
| 1269 | P | 42.4 | Very low | 52 | Low | 120 Ų | 120 | 95.4 Ų | 95.4 | 78% | 0.779 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 124.4 | 179.2 | 25.8 | -33.9 | 0 | 0 | 0 | 110.6 | ||
| 1270 | S | 53 | Low | 55 | Low | 35 Ų | 35 | 91.3 Ų | 91.3 | 25% | 0.245 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 133.9 | 175.8 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | M1268 C1272 | M1268-S1270 PolarHBondContact O-N 2.97Å; S1270-C1272 PolarHBondContact O-N 3.27Å; S1270-C1272 PolarHBondContact O-SG 3.17Å; S1270-C1272 VanDerWaalsContact O-SG 3.35Å |
| 1271 | K | 71 | Confident | 58.3 | Low | 130 Ų | 130 | 83.6 Ų | 83.6 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 122.8 | 167.5 | -100.4 | -175 | 172.9 | -177.2 | 0 | 109.1 | L1283 F1553 | K1271-L1283 HydrophobicContact CB-CD1 4.27Å; K1271-L1283 WeakPolarHBondContact O-CB 3.36Å; K1271-L1283 PolarHBondContact O-N 2.95Å; K1271-F1553 HydrophobicContact CB-CE1 3.88Å; K1271-F1553 HydrophobicContact CB-CZ 4.17Å; K1271-F1553 HydrophobicContact CD-CD1 4.26Å; K1271-F1553 HydrophobicContact CD-CE1 4.05Å; K1271-F1553 HydrophobicContact CG-CE1 4.38Å |
| 1272 | C | 83.5 | Confident | 61.6 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 38% | 0.378 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 153.8 | 178 | -64.4 | 0 | 0 | 0 | 0 | 110.8 | S1270 P1280 M1281 | S1270-C1272 PolarHBondContact O-N 3.27Å; S1270-C1272 PolarHBondContact O-SG 3.17Å; S1270-C1272 VanDerWaalsContact O-SG 3.35Å; C1272-P1280 HydrophobicContact CB-CB 3.98Å; C1272-M1281 CarbonylContact C-O 3.5Å; C1272-M1281 VanDerWaalsContact CA-O 3.28Å; C1272-M1281 WeakPolarHBondContact CA-O 3.23Å; C1272-M1281 WeakPolarHBondContact CB-O 3.46Å |
| 1273 | V | 81.8 | Confident | 64.9 | Low | 39 Ų | 39 | 76.8 Ų | 76.8 | 24% | 0.236 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 143.6 | 162 | 63.7 | 0 | 0 | 0 | 0 | 108.9 | M1281 L1283 I1535 | V1273-M1281 HydrophobicContact CG1-CB 4.4Å; V1273-M1281 PolarHBondContact N-O 3.27Å; V1273-M1281 PolarHBondContact O-N 3.49Å; V1273-L1283 HydrophobicContact CB-CD2 4.13Å; V1273-L1283 HydrophobicContact CB-CG 4.26Å; V1273-L1283 HydrophobicContact CG1-CD2 4.15Å; V1273-L1283 HydrophobicContact CG1-CG 4.44Å; V1273-I1535 HydrophobicContact CG1-CD1 3.7Å; V1273-I1535 HydrophobicContact CG1-CG1 3.72Å |
| 1274 | T | 86.2 | Confident | 68.3 | Low | 89 Ų | 89 | 69.9 Ų | 69.9 | 55% | 0.546 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.4 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1275 | L | 89.2 | Confident | 71.7 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 162.5 | 174 | -62.2 | -171.5 | 0 | 0 | 0 | 111.9 | N1277 G1278 L1279 M1281 F1342 H1447 S1472 | L1275-N1277 VanDerWaalsContact CB-OD1 3.25Å; L1275-N1277 WeakPolarHBondContact CB-OD1 3.45Å; L1275-N1277 PolarHBondContact O-N 3.49Å; L1275-G1278 WeakPolarHBondContact O-CA 3.38Å; L1275-G1278 PolarHBondContact O-N 2.86Å; L1275-L1279 HydrophobicContact CB-CB 4.34Å; L1275-L1279 VanDerWaalsContact CB-O 3.31Å; L1275-L1279 WeakPolarHBondContact CB-O 2.98Å; L1275-L1279 HydrophobicContact CD1-CB 4.34Å; L1275-L1279 HydrophobicContact CD1-CD2 4.33Å; L1275-L1279 WeakPolarHBondContact CG-O 3.16Å; L1275-L1279 PolarHBondContact N-O 3.37Å; L1275-M1281 HydrophobicContact CD1-CB 4.23Å; L1275-M1281 HydrophobicContact CD1-SD 4.16Å; L1275-M1281 HydrophobicContact CD2-CB 4.03Å; L1275-M1281 HydrophobicContact CD2-SD 3.85Å; L1275-M1281 HydrophobicContact CG-CB 3.97Å; L1275-M1281 HydrophobicContact CG-SD 4.42Å; L1275-F1342 HydrophobicContact CD1-CE2 4.05Å; L1275-F1342 HydrophobicContact CD1-CZ 3.54Å; L1275-H1447 HydrophobicContact CD1-CB 4.41Å; L1275-S1472 WeakPolarHBondContact CD2-OG 3.27Å |
| 1276 | H | 78.1 | Confident | 75.1 | Confident | 74 Ų | 74 | 57.3 Ų | 57.3 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.7 | -179.3 | -171.6 | -68.3 | 0 | 0 | 0 | 114.4 | ||
| 1277 | N | 83.5 | Confident | 78.4 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.9 | 176 | 60.4 | -8.9 | 0 | 0 | 0 | 114.1 | L1275 L1279 R1423 S1424 H1447 | L1275-N1277 VanDerWaalsContact CB-OD1 3.25Å; L1275-N1277 WeakPolarHBondContact CB-OD1 3.45Å; L1275-N1277 PolarHBondContact O-N 3.49Å; N1277-L1279 VanDerWaalsContact OD1-CB 3.24Å; N1277-L1279 WeakPolarHBondContact OD1-CB 3.38Å; N1277-L1279 PolarHBondContact OD1-N 2.85Å; N1277-R1423 PolarHBondContact ND2-O 2.93Å; N1277-S1424 PolarHBondContact ND2-OG 3.27Å; N1277-H1447 WeakPolarHBondContact CB-NE2 3.42Å |
| 1278 | G | 82.1 | Confident | 81.3 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 86.4 | 2.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1275 | L1275-G1278 WeakPolarHBondContact O-CA 3.38Å; L1275-G1278 PolarHBondContact O-N 2.86Å |
| 1279 | L | 86.9 | Confident | 83.9 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | trans | -78.7 | 124.2 | -179.3 | -174.3 | 66.3 | 0 | 0 | 0 | 110.7 | L1275 N1277 M1281 F1342 R1423 S1424 M1824 | L1275-L1279 HydrophobicContact CB-CB 4.34Å; L1275-L1279 VanDerWaalsContact CB-O 3.31Å; L1275-L1279 WeakPolarHBondContact CB-O 2.98Å; L1275-L1279 HydrophobicContact CD1-CB 4.34Å; L1275-L1279 HydrophobicContact CD1-CD2 4.33Å; L1275-L1279 WeakPolarHBondContact CG-O 3.16Å; L1275-L1279 PolarHBondContact N-O 3.37Å; N1277-L1279 VanDerWaalsContact OD1-CB 3.24Å; N1277-L1279 WeakPolarHBondContact OD1-CB 3.38Å; N1277-L1279 PolarHBondContact OD1-N 2.85Å; L1279-M1281 PolarHBondContact O-N 3.08Å; L1279-F1342 HydrophobicContact CD2-CE2 3.55Å; L1279-F1342 HydrophobicContact CD2-CZ 4.02Å; L1279-F1342 HydrophobicContact CG-CE2 3.94Å; L1279-R1423 VanDerWaalsContact CD1-CZ 3.47Å; L1279-R1423 HydrophobicContact CD2-CB 4.19Å; L1279-S1424 WeakPolarHBondContact CD2-OG 3.46Å; L1279-M1824 HydrophobicContact CD1-CE 4.44Å | ||
| 1280 | P | 86.3 | Confident | 85.9 | Confident | 43 Ų | 43 | 35 Ų | 35 | 28% | 0.279 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.7 | 173.5 | 29 | -34.2 | 0 | 0 | 0 | 111 | C1272 M1824 | C1272-P1280 HydrophobicContact CB-CB 3.98Å; P1280-M1824 HydrophobicContact CG-CE 3.85Å; P1280-M1824 HydrophobicContact CG-SD 3.52Å; P1280-M1824 VanDerWaalsContact CG-SD 3.52Å |
| 1281 | M | 93.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.8 | 174.4 | -176.8 | 167.8 | -178.7 | 0 | 0 | 108.4 | C1272 V1273 L1275 L1279 L1283 H1310 F1342 L1375 I1535 | C1272-M1281 CarbonylContact C-O 3.5Å; C1272-M1281 VanDerWaalsContact CA-O 3.28Å; C1272-M1281 WeakPolarHBondContact CA-O 3.23Å; C1272-M1281 WeakPolarHBondContact CB-O 3.46Å; V1273-M1281 HydrophobicContact CG1-CB 4.4Å; V1273-M1281 PolarHBondContact N-O 3.27Å; V1273-M1281 PolarHBondContact O-N 3.49Å; L1275-M1281 HydrophobicContact CD1-CB 4.23Å; L1275-M1281 HydrophobicContact CD1-SD 4.16Å; L1275-M1281 HydrophobicContact CD2-CB 4.03Å; L1275-M1281 HydrophobicContact CD2-SD 3.85Å; L1275-M1281 HydrophobicContact CG-CB 3.97Å; L1275-M1281 HydrophobicContact CG-SD 4.42Å; L1279-M1281 PolarHBondContact O-N 3.08Å; M1281-L1283 PolarHBondContact O-N 3.26Å; M1281-H1310 WeakPolarHBondContact CE-CE1 3.45Å; M1281-F1342 HydrophobicContact CB-CD2 4.01Å; M1281-F1342 HydrophobicContact CB-CE1 4.36Å; M1281-F1342 HydrophobicContact CB-CE2 3.83Å; M1281-F1342 HydrophobicContact CB-CG 4.37Å; M1281-F1342 HydrophobicContact CB-CZ 4.06Å; M1281-F1342 HydrophobicContact CE-CD1 3.65Å; M1281-F1342 HydrophobicContact CE-CE1 3.53Å; M1281-F1342 HydrophobicContact CE-CZ 4.48Å; M1281-F1342 HydrophobicContact CG-CD1 3.66Å; M1281-F1342 HydrophobicContact CG-CD2 3.96Å; M1281-F1342 HydrophobicContact CG-CE1 3.67Å; M1281-F1342 HydrophobicContact CG-CE2 3.99Å; M1281-F1342 HydrophobicContact CG-CG 3.81Å; M1281-F1342 HydrophobicContact CG-CZ 3.88Å; M1281-F1342 HydrophobicContact SD-CD1 3.83Å; M1281-F1342 HydrophobicContact SD-CE1 3.32Å; M1281-F1342 WeakPolarHBondContact SD-CE1 3.35Å; M1281-F1342 HydrophobicContact SD-CE2 4.41Å; M1281-F1342 HydrophobicContact SD-CZ 3.71Å; M1281-L1375 HydrophobicContact CE-CD2 3.87Å; M1281-L1375 HydrophobicContact SD-CD2 4.27Å; M1281-I1535 HydrophobicContact CE-CD1 3.94Å; M1281-I1535 HydrophobicContact CE-CG2 4.35Å; M1281-I1535 HydrophobicContact CG-CD1 4.05Å; M1281-I1535 HydrophobicContact SD-CD1 3.62Å |
| 1282 | P | 92.9 | Very high | 88.2 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 134.4 | 176 | -26.3 | 35 | 0 | 0 | 0 | 111.6 | L1284 R1309 H1310 I1535 | P1282-L1284 PolarHBondContact O-N 3.27Å; P1282-R1309 HydrophobicContact CG-CB 4.36Å; P1282-H1310 HydrophobicContact CB-CB 4.04Å; P1282-H1310 HydrophobicContact CG-CB 4.06Å; P1282-I1535 WeakPolarHBondContact O-CG2 3.27Å |
| 1283 | L | 90.7 | Very high | 88.4 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -69.7 | -14.2 | 178.7 | -84 | 163.8 | 0 | 0 | 0 | 113.1 | K1271 V1273 M1281 L1530 I1535 V1536 | K1271-L1283 HydrophobicContact CB-CD1 4.27Å; K1271-L1283 WeakPolarHBondContact O-CB 3.36Å; K1271-L1283 PolarHBondContact O-N 2.95Å; V1273-L1283 HydrophobicContact CB-CD2 4.13Å; V1273-L1283 HydrophobicContact CB-CG 4.26Å; V1273-L1283 HydrophobicContact CG1-CD2 4.15Å; V1273-L1283 HydrophobicContact CG1-CG 4.44Å; M1281-L1283 PolarHBondContact O-N 3.26Å; L1283-L1530 HydrophobicContact CB-CD2 3.64Å; L1283-L1530 WeakPolarHBondContact O-CD2 3.16Å; L1283-I1535 HydrophobicContact CD2-CG1 3.92Å; L1283-I1535 CarbonylContact O-C 3.56Å; L1283-I1535 WeakPolarHBondContact O-CA 3.16Å; L1283-V1536 PolarHBondContact O-N 3.02Å |
| 1284 | L | 93.7 | Very high | 88.6 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -122.1 | 119.5 | 174.7 | 173.1 | 65.9 | 0 | 0 | 0 | 109.8 | P1282 F1308 V1536 P1538 N1549 F1550 L1552 | P1282-L1284 PolarHBondContact O-N 3.27Å; L1284-F1308 HydrophobicContact CD1-CE1 3.76Å; L1284-F1308 HydrophobicContact CD1-CZ 4.05Å; L1284-F1308 HydrophobicContact CD2-CE1 3.88Å; L1284-F1308 HydrophobicContact CD2-CE2 4.35Å; L1284-F1308 HydrophobicContact CD2-CZ 3.78Å; L1284-F1308 HydrophobicContact CG-CD1 4.18Å; L1284-F1308 HydrophobicContact CG-CE1 3.54Å; L1284-F1308 HydrophobicContact CG-CZ 3.93Å; L1284-V1536 HydrophobicContact CD1-CG2 3.86Å; L1284-P1538 HydrophobicContact CD1-CG 3.97Å; L1284-N1549 WeakPolarHBondContact CD2-O 3.46Å; L1284-F1550 HydrophobicContact CD2-CB 4.47Å; L1284-F1550 HydrophobicContact CD2-CD2 3.69Å; L1284-F1550 HydrophobicContact CD2-CE2 4.36Å; L1284-F1550 HydrophobicContact CD2-CG 4.41Å; L1284-L1552 HydrophobicContact CD1-CD1 4.12Å; L1284-L1552 HydrophobicContact CD2-CD1 4.25Å |
| 1285 | G | 93.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 168.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1308 H1310 V1536 I1537 P1538 | G1285-F1308 WeakPolarHBondContact O-CE1 3.47Å; G1285-H1310 CarbonylContact C-O 3.28Å; G1285-H1310 WeakPolarHBondContact CA-ND1 3.21Å; G1285-H1310 WeakPolarHBondContact CA-O 3.16Å; G1285-V1536 PolarHBondContact N-O 2.71Å; G1285-I1537 WeakPolarHBondContact O-CA 3.23Å; G1285-P1538 WeakPolarHBondContact O-CD 3.44Å |
| 1286 | Y | 95.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 105.2 | -173 | -179.1 | -105.5 | 0 | 0 | 0 | 111.1 | T1288 L1300 H1310 I1311 D1312 S1540 I1546 R1817 | Y1286-T1288 HydrophobicContact CD1-CG2 4.39Å; Y1286-T1288 HydrophobicContact CE1-CG2 3.97Å; Y1286-L1300 HydrophobicContact CD1-CD1 4.37Å; Y1286-L1300 HydrophobicContact CE1-CD1 3.83Å; Y1286-H1310 WeakPolarHBondContact CB-O 3.24Å; Y1286-H1310 PolarHBondContact N-O 3.13Å; Y1286-I1311 WeakPolarHBondContact O-CA 3.43Å; Y1286-D1312 PolarHBondContact O-N 2.84Å; Y1286-S1540 PolarHBondContact OH-O 2.96Å; Y1286-S1540 VanDerWaalsContact OH-O 3.11Å; Y1286-I1546 HydrophobicContact CD2-CD1 3.23Å; Y1286-I1546 HydrophobicContact CD2-CG1 4.44Å; Y1286-I1546 HydrophobicContact CE2-CD1 3.57Å; Y1286-I1546 HydrophobicContact CG-CD1 4.15Å; Y1286-R1817 HydrophobicContact CE1-CG 4.19Å; Y1286-R1817 HydrophobicContact CE2-CG 4.37Å; Y1286-R1817 WeakPolarHBondContact OH-CG 3.37Å |
| 1287 | G | 94.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 31 Ų | 31 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 140.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1312 P1538 K1539 | G1287-D1312 CarbonylContact C-O 3.51Å; G1287-D1312 WeakPolarHBondContact CA-O 3.26Å; G1287-P1538 PolarHBondContact N-O 3.18Å; G1287-K1539 WeakPolarHBondContact O-CA 3.28Å; G1287-K1539 WeakPolarHBondContact O-CB 3.26Å; G1287-K1539 WeakPolarHBondContact O-CG 3.32Å |
| 1288 | T | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -111.9 | 7 | -174.3 | 72.8 | 0 | 0 | 0 | 0 | 115.5 | Y1286 Q1290 A1291 I1311 D1312 T1313 Y1317 N1319 I1323 | Y1286-T1288 HydrophobicContact CD1-CG2 4.39Å; Y1286-T1288 HydrophobicContact CE1-CG2 3.97Å; T1288-Q1290 PolarHBondContact O-N 3.45Å; T1288-A1291 WeakPolarHBondContact O-CB 3.46Å; T1288-A1291 PolarHBondContact O-N 2.82Å; T1288-I1311 HydrophobicContact CG2-CG2 3.99Å; T1288-D1312 WeakPolarHBondContact CG2-O 3.33Å; T1288-D1312 PolarHBondContact N-O 2.84Å; T1288-D1312 PolarHBondContact OG1-O 2.8Å; T1288-T1313 WeakPolarHBondContact OG1-CA 2.93Å; T1288-T1313 VanDerWaalsContact OG1-CB 3.28Å; T1288-T1313 WeakPolarHBondContact OG1-CB 3.45Å; T1288-T1313 PolarHBondContact OG1-OG1 2.81Å; T1288-Y1317 WeakPolarHBondContact OG1-CD2 3.46Å; T1288-N1319 WeakPolarHBondContact CB-ND2 3.21Å; T1288-N1319 PolarHBondContact O-ND2 3.45Å; T1288-N1319 PolarHBondContact OG1-ND2 3Å; T1288-I1323 HydrophobicContact CG2-CD1 3.92Å | ||
| 1289 | W | 89.5 | Confident | 90.4 | Very high | 50 Ų | 50 | 29 Ų | 29 | 19% | 0.189 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 139 | -177.7 | -178.4 | 57.3 | 0 | 0 | 0 | 113.2 | A1291 Y1317 R1484 H1487 K1539 F1575 | W1289-A1291 PolarHBondContact O-N 3.11Å; W1289-A1291 VanDerWaalsContact O-N 3.15Å; W1289-Y1317 HydrophobicContact CB-CD2 4.36Å; W1289-Y1317 HydrophobicContact CB-CE1 4.26Å; W1289-Y1317 HydrophobicContact CB-CE2 3.94Å; W1289-Y1317 AromaticContact CD1-CD1 3.61Å; W1289-Y1317 AromaticContact CD1-CE1 3.43Å; W1289-Y1317 VanDerWaalsContact CD1-CE1 3.43Å; W1289-Y1317 AromaticContact CD1-CZ 3.98Å; W1289-Y1317 HydrophobicContact CG-CE1 4.14Å; W1289-R1484 HydrophobicContact CH2-CB 3.98Å; W1289-R1484 HydrophobicContact CZ3-CB 4.27Å; W1289-H1487 HydrophobicContact CZ2-CB 4.32Å; W1289-H1487 AromaticContact CZ2-CD2 3.56Å; W1289-H1487 AromaticContact CZ2-CG 3.91Å; W1289-K1539 VanDerWaalsContact O-CE 3.27Å; W1289-K1539 WeakPolarHBondContact O-CE 2.97Å; W1289-K1539 PolarHBondContact O-NZ 2.91Å; W1289-F1575 AromaticContact CH2-CE1 3.53Å; W1289-F1575 HydrophobicContact CH2-CE1 3.53Å; W1289-F1575 AromaticContact CH2-CZ 3.87Å; W1289-F1575 HydrophobicContact CH2-CZ 3.87Å; W1289-F1575 HydrophobicContact CZ2-CE1 4.15Å; W1289-F1575 AromaticContact CZ3-CE1 3.84Å; W1289-F1575 HydrophobicContact CZ3-CE1 3.84Å; W1289-F1575 AromaticContact CZ3-CZ 3.71Å; W1289-F1575 HydrophobicContact CZ3-CZ 3.71Å |
| 1290 | Q | 83.1 | Confident | 90.8 | Very high | 53 Ų | 53 | 28.6 Ų | 28.6 | 25% | 0.248 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 10.6 | -169.7 | -39.4 | 168.3 | -68.4 | 0 | 0 | 115.6 | T1288 G1483 | T1288-Q1290 PolarHBondContact O-N 3.45Å; Q1290-G1483 PolarHBondContact NE2-O 3.4Å; Q1290-G1483 PolarHBondContact OE1-O 2.75Å |
| 1291 | A | 87.1 | Confident | 91.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -97.8 | 102.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T1288 W1289 L1296 N1319 R1817 | T1288-A1291 WeakPolarHBondContact O-CB 3.46Å; T1288-A1291 PolarHBondContact O-N 2.82Å; W1289-A1291 PolarHBondContact O-N 3.11Å; W1289-A1291 VanDerWaalsContact O-N 3.15Å; A1291-L1296 HydrophobicContact CB-CD1 3.76Å; A1291-L1296 VanDerWaalsContact O-CD2 3.28Å; A1291-L1296 WeakPolarHBondContact O-CD2 3.27Å; A1291-N1319 WeakPolarHBondContact O-CB 3.27Å; A1291-N1319 PolarHBondContact O-ND2 2.81Å; A1291-R1817 VanDerWaalsContact CB-NH2 3.32Å | ||
| 1292 | Q | 86 | Confident | 91.1 | Very high | 91 Ų | 91 | 35.1 Ų | 35.1 | 43% | 0.425 | 19% | 0.189 | S | C | . | . | trans | -113.9 | 167 | -178.6 | -58.3 | -60.9 | -1.6 | 0 | 0 | 115.6 | L1296 Y1317 N1319 R1817 | Q1292-L1296 PolarHBondContact O-N 2.88Å; Q1292-Y1317 PolarHBondContact NE2-O 3.17Å; Q1292-N1319 VanDerWaalsContact OE1-CB 3.24Å; Q1292-R1817 PolarHBondContact O-NH2 2.94Å | ||
| 1293 | G | 87.9 | Confident | 91 | Very high | 35 Ų | 35 | 34.9 Ų | 34.9 | 36% | 0.361 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | 70.7 | -158.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117 | A1295 L1296 R1297 | G1293-A1295 PolarHBondContact O-N 3.43Å; G1293-L1296 CarbonylContact O-C 3.6Å; G1293-L1296 WeakPolarHBondContact O-CA 3.5Å; G1293-L1296 WeakPolarHBondContact O-CB 3.34Å; G1293-L1296 PolarHBondContact O-N 3.21Å; G1293-R1297 PolarHBondContact O-N 3.42Å |
| 1294 | D | 85.3 | Confident | 91.1 | Very high | 109 Ų | 109 | 34.3 Ų | 34.3 | 58% | 0.583 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -63.4 | -28.2 | 173.8 | -78.7 | -70.8 | 0 | 0 | 0 | 113.6 | L1296 R1297 S1298 | D1294-L1296 PolarHBondContact O-N 3.35Å; D1294-R1297 PolarHBondContact O-N 3.19Å; D1294-R1297 IonicContact OD1-CZ 2.66Å; D1294-R1297 IonicContact OD1-NH1 2.7Å; D1294-R1297 PolarHBondContact OD1-NH1 3.32Å; D1294-R1297 IonicContact OD2-NH1 2.72Å; D1294-R1297 PolarHBondContact OD2-NH1 3.4Å; D1294-S1298 WeakPolarHBondContact O-CB 3.41Å; D1294-S1298 PolarHBondContact O-N 3.02Å |
| 1295 | A | 86.1 | Confident | 90.8 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 44% | 0.438 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -36.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | G1293 G1299 R1817 | G1293-A1295 PolarHBondContact O-N 3.43Å; A1295-G1299 WeakPolarHBondContact O-CA 3.48Å; A1295-G1299 PolarHBondContact O-N 3.2Å; A1295-R1817 WeakPolarHBondContact O-CD 3.36Å; A1295-R1817 PolarHBondContact O-NE 3.46Å; A1295-R1817 PolarHBondContact O-NH1 2.83Å |
| 1296 | L | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.1 | -34.8 | 167.9 | -170.5 | 67 | 0 | 0 | 0 | 112.1 | A1291 Q1292 G1293 D1294 G1299 L1300 N1319 V1322 I1323 R1817 | A1291-L1296 HydrophobicContact CB-CD1 3.76Å; A1291-L1296 VanDerWaalsContact O-CD2 3.28Å; A1291-L1296 WeakPolarHBondContact O-CD2 3.27Å; Q1292-L1296 PolarHBondContact O-N 2.88Å; G1293-L1296 CarbonylContact O-C 3.6Å; G1293-L1296 WeakPolarHBondContact O-CA 3.5Å; G1293-L1296 WeakPolarHBondContact O-CB 3.34Å; G1293-L1296 PolarHBondContact O-N 3.21Å; D1294-L1296 PolarHBondContact O-N 3.35Å; L1296-G1299 CarbonylContact O-C 3.5Å; L1296-L1300 HydrophobicContact CD1-CD1 3.39Å; L1296-L1300 HydrophobicContact CG-CD1 3.95Å; L1296-L1300 HydrophobicContact CG-CD2 4.39Å; L1296-L1300 WeakPolarHBondContact O-CA 3.31Å; L1296-L1300 WeakPolarHBondContact O-CB 3.3Å; L1296-L1300 WeakPolarHBondContact O-CD1 3.19Å; L1296-L1300 PolarHBondContact O-N 2.87Å; L1296-N1319 HydrophobicContact CD2-CB 3.71Å; L1296-V1322 HydrophobicContact CB-CG1 4.03Å; L1296-V1322 HydrophobicContact CD2-CB 3.81Å; L1296-V1322 HydrophobicContact CD2-CG1 3.94Å; L1296-V1322 HydrophobicContact CG-CB 4.47Å; L1296-V1322 HydrophobicContact CG-CG1 4.05Å; L1296-I1323 HydrophobicContact CD2-CG1 4.04Å; L1296-R1817 VanDerWaalsContact CA-CZ 3.41Å; L1296-R1817 VanDerWaalsContact CA-NH2 3.29Å; L1296-R1817 VanDerWaalsContact N-NH2 3.1Å |
| 1297 | R | 93.9 | Very high | 90.1 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -77.2 | -52.8 | -175.1 | -169.8 | 178.4 | -69.5 | 104.9 | -1.7 | 114.9 | G1293 D1294 G1299 L1300 K1301 V1322 E1325 V1326 | G1293-R1297 PolarHBondContact O-N 3.42Å; D1294-R1297 PolarHBondContact O-N 3.19Å; D1294-R1297 IonicContact OD1-CZ 2.66Å; D1294-R1297 IonicContact OD1-NH1 2.7Å; D1294-R1297 PolarHBondContact OD1-NH1 3.32Å; D1294-R1297 IonicContact OD2-NH1 2.72Å; D1294-R1297 PolarHBondContact OD2-NH1 3.4Å; R1297-G1299 PolarHBondContact O-N 3.25Å; R1297-L1300 WeakPolarHBondContact O-CA 3.41Å; R1297-L1300 PolarHBondContact O-N 3.38Å; R1297-K1301 PolarHBondContact O-N 2.82Å; R1297-V1322 HydrophobicContact CB-CG1 3.94Å; R1297-E1325 IonicContact CZ-OE2 3.14Å; R1297-E1325 VanDerWaalsContact CZ-OE2 3.23Å; R1297-E1325 IonicContact NE-OE2 2.75Å; R1297-E1325 PolarHBondContact NE-OE2 2.82Å; R1297-E1325 IonicContact NH2-OE1 2.74Å; R1297-E1325 IonicContact NH2-OE2 3.35Å; R1297-E1325 PolarHBondContact NH2-OE2 3.23Å; R1297-V1326 HydrophobicContact CB-CG2 4.42Å; R1297-V1326 HydrophobicContact CG-CG2 3.93Å |
| 1298 | S | 90.4 | Very high | 90 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 52% | 0.524 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 168.7 | 170.6 | 0 | 0 | 0 | 0 | 109.3 | D1294 L1300 K1301 S1818 | D1294-S1298 WeakPolarHBondContact O-CB 3.41Å; D1294-S1298 PolarHBondContact O-N 3.02Å; S1298-L1300 PolarHBondContact O-N 3Å; S1298-L1300 VanDerWaalsContact O-N 3.12Å; S1298-K1301 PolarHBondContact O-N 3.11Å; S1298-S1818 PolarHBondContact O-OG 3.35Å |
| 1299 | G | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.2 | 20.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1295 L1296 R1297 R1817 S1818 | A1295-G1299 WeakPolarHBondContact O-CA 3.48Å; A1295-G1299 PolarHBondContact O-N 3.2Å; L1296-G1299 CarbonylContact O-C 3.5Å; R1297-G1299 PolarHBondContact O-N 3.25Å; G1299-R1817 VanDerWaalsContact CA-CD 3.48Å; G1299-R1817 VanDerWaalsContact O-CB 3.22Å; G1299-R1817 WeakPolarHBondContact O-CB 3.43Å; G1299-R1817 WeakPolarHBondContact O-CD 3.45Å; G1299-R1817 WeakPolarHBondContact O-CG 3.5Å; G1299-S1818 WeakPolarHBondContact CA-OG 3.32Å; G1299-S1818 WeakPolarHBondContact O-CA 3.31Å; G1299-S1818 PolarHBondContact O-N 2.71Å; G1299-S1818 PolarHBondContact O-OG 2.78Å; G1299-S1818 VanDerWaalsContact O-OG 3.1Å |
| 1300 | L | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -114.1 | -28 | 156.9 | -112.2 | 57.4 | 0 | 0 | 0 | 109.9 | Y1286 L1296 R1297 S1298 I1323 V1326 S1818 N1819 | Y1286-L1300 HydrophobicContact CD1-CD1 4.37Å; Y1286-L1300 HydrophobicContact CE1-CD1 3.83Å; L1296-L1300 HydrophobicContact CD1-CD1 3.39Å; L1296-L1300 HydrophobicContact CG-CD1 3.95Å; L1296-L1300 HydrophobicContact CG-CD2 4.39Å; L1296-L1300 WeakPolarHBondContact O-CA 3.31Å; L1296-L1300 WeakPolarHBondContact O-CB 3.3Å; L1296-L1300 WeakPolarHBondContact O-CD1 3.19Å; L1296-L1300 PolarHBondContact O-N 2.87Å; R1297-L1300 WeakPolarHBondContact O-CA 3.41Å; R1297-L1300 PolarHBondContact O-N 3.38Å; S1298-L1300 PolarHBondContact O-N 3Å; S1298-L1300 VanDerWaalsContact O-N 3.12Å; L1300-I1323 HydrophobicContact CD2-CB 3.91Å; L1300-I1323 HydrophobicContact CD2-CG1 3.74Å; L1300-I1323 HydrophobicContact CD2-CG2 3.89Å; L1300-V1326 HydrophobicContact CB-CB 3.85Å; L1300-V1326 HydrophobicContact CB-CG1 4.01Å; L1300-V1326 HydrophobicContact CB-CG2 3.51Å; L1300-V1326 HydrophobicContact CD2-CB 4.45Å; L1300-V1326 HydrophobicContact CD2-CG2 4.08Å; L1300-V1326 HydrophobicContact CG-CG2 4.44Å; L1300-S1818 PolarHBondContact N-OG 2.69Å; L1300-S1818 CarbonylContact O-C 3.53Å; L1300-S1818 VanDerWaalsContact O-CA 3.31Å; L1300-S1818 WeakPolarHBondContact O-CA 3.33Å; L1300-S1818 WeakPolarHBondContact O-CB 3.21Å; L1300-S1818 VanDerWaalsContact O-O 3.09Å; L1300-N1819 VanDerWaalsContact C-ND2 3.34Å; L1300-N1819 HydrophobicContact CB-CB 4.42Å; L1300-N1819 WeakPolarHBondContact CB-OD1 3.48Å; L1300-N1819 WeakPolarHBondContact CD2-OD1 3.41Å; L1300-N1819 HydrophobicContact CG-CB 4.28Å; L1300-N1819 WeakPolarHBondContact CG-OD1 2.93Å; L1300-N1819 WeakPolarHBondContact O-CA 3.32Å; L1300-N1819 WeakPolarHBondContact O-CB 3.33Å; L1300-N1819 PolarHBondContact O-N 2.75Å; L1300-N1819 PolarHBondContact O-ND2 3.1Å; L1300-N1819 PolarHBondContact O-OD1 3.23Å |
| 1301 | K | 93.4 | Very high | 91 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 43% | 0.43 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.6 | -56.6 | 179 | -60 | -174.2 | 179.3 | -172.4 | 0 | 115.1 | R1297 S1298 A1303 L1304 V1326 | R1297-K1301 PolarHBondContact O-N 2.82Å; S1298-K1301 PolarHBondContact O-N 3.11Å; K1301-A1303 PolarHBondContact O-N 3.01Å; K1301-A1303 VanDerWaalsContact O-N 3.08Å; K1301-L1304 PolarHBondContact O-N 3.48Å; K1301-V1326 HydrophobicContact CD-CG1 4.33Å; K1301-V1326 HydrophobicContact CG-CG1 3.53Å |
| 1302 | K | 92.2 | Very high | 91.6 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 36% | 0.357 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -38.4 | -166.6 | -172.4 | 57.6 | -164.1 | 157.4 | 0 | 120.9 | D1305 V1306 L1816 S1818 | K1302-D1305 WeakPolarHBondContact CA-OD2 3.11Å; K1302-D1305 VanDerWaalsContact O-CB 3.29Å; K1302-D1305 WeakPolarHBondContact O-CB 3.24Å; K1302-D1305 PolarHBondContact O-N 2.9Å; K1302-V1306 WeakPolarHBondContact O-CG2 3.44Å; K1302-V1306 PolarHBondContact O-N 2.86Å; K1302-L1816 HydrophobicContact CB-CD1 3.9Å; K1302-L1816 HydrophobicContact CG-CD1 4.49Å; K1302-S1818 WeakPolarHBondContact CB-OG 3.43Å; K1302-S1818 PolarHBondContact N-OG 3.44Å; K1302-S1818 VanDerWaalsContact N-OG 3.1Å |
| 1303 | A | 92 | Very high | 92.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -15.1 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1301 D1305 V1306 G1307 F1308 I1546 S1818 | K1301-A1303 PolarHBondContact O-N 3.01Å; K1301-A1303 VanDerWaalsContact O-N 3.08Å; A1303-D1305 VanDerWaalsContact C-N 3.31Å; A1303-V1306 CarbonylContact O-C 3.49Å; A1303-V1306 PolarHBondContact O-N 3.15Å; A1303-G1307 PolarHBondContact O-N 3.03Å; A1303-F1308 HydrophobicContact CB-CB 4.03Å; A1303-F1308 HydrophobicContact CB-CD2 3.54Å; A1303-F1308 HydrophobicContact CB-CE2 4.25Å; A1303-F1308 HydrophobicContact CB-CG 4.04Å; A1303-F1308 PolarHBondContact O-N 2.86Å; A1303-I1546 HydrophobicContact CB-CB 4.43Å; A1303-I1546 HydrophobicContact CB-CD1 3.65Å; A1303-I1546 HydrophobicContact CB-CG1 4.45Å; A1303-I1546 HydrophobicContact CB-CG2 3.38Å; A1303-S1818 CarbonylContact C-O 3.49Å; A1303-S1818 VanDerWaalsContact C-O 3.22Å; A1303-S1818 WeakPolarHBondContact CA-O 3.36Å; A1303-S1818 VanDerWaalsContact CB-C 3.49Å; A1303-S1818 WeakPolarHBondContact CB-O 3.43Å; A1303-S1818 PolarHBondContact N-O 3.19Å |
| 1304 | L | 92 | Very high | 92.5 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -49.2 | 157.1 | -80.1 | 160.4 | 0 | 0 | 0 | 111.2 | K1301 V1306 G1307 R1309 W1330 S1818 N1819 M1820 | K1301-L1304 PolarHBondContact O-N 3.48Å; L1304-V1306 PolarHBondContact O-N 2.87Å; L1304-G1307 PolarHBondContact O-N 2.74Å; L1304-G1307 VanDerWaalsContact O-N 3.09Å; L1304-R1309 PolarHBondContact O-NH1 3.47Å; L1304-R1309 VanDerWaalsContact O-NH1 3.12Å; L1304-W1330 HydrophobicContact CB-CZ2 4.08Å; L1304-W1330 HydrophobicContact CD1-CB 4.17Å; L1304-W1330 HydrophobicContact CD1-CD2 3.54Å; L1304-W1330 HydrophobicContact CD1-CE3 4.2Å; L1304-W1330 HydrophobicContact CD1-CG 3.51Å; L1304-W1330 HydrophobicContact CD1-CZ2 4.4Å; L1304-W1330 HydrophobicContact CD2-CD2 3.8Å; L1304-W1330 HydrophobicContact CD2-CE3 3.74Å; L1304-W1330 HydrophobicContact CD2-CH2 3.6Å; L1304-W1330 HydrophobicContact CD2-CZ2 3.62Å; L1304-W1330 HydrophobicContact CD2-CZ3 3.66Å; L1304-W1330 HydrophobicContact CG-CD2 4.17Å; L1304-W1330 HydrophobicContact CG-CZ2 4.24Å; L1304-S1818 PolarHBondContact N-O 3.42Å; L1304-N1819 HydrophobicContact CB-CB 4.41Å; L1304-N1819 HydrophobicContact CD1-CB 3.24Å; L1304-N1819 WeakPolarHBondContact CD1-ND2 3.22Å; L1304-N1819 HydrophobicContact CD2-CB 4.3Å; L1304-N1819 HydrophobicContact CG-CB 3.35Å; L1304-M1820 HydrophobicContact CD1-CB 4.13Å; L1304-M1820 HydrophobicContact CD1-CE 4.02Å; L1304-M1820 HydrophobicContact CD1-SD 4.45Å; L1304-M1820 HydrophobicContact CD2-CB 3.85Å; L1304-M1820 WeakPolarHBondContact CD2-O 3.4Å; L1304-M1820 HydrophobicContact CG-CB 4.14Å |
| 1305 | D | 88.6 | Confident | 92.9 | Very high | 102 Ų | 102 | 27.5 Ų | 27.5 | 55% | 0.545 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.9 | 177.5 | -31.3 | -26.3 | 0 | 0 | 0 | 111.8 | K1302 A1303 | K1302-D1305 WeakPolarHBondContact CA-OD2 3.11Å; K1302-D1305 VanDerWaalsContact O-CB 3.29Å; K1302-D1305 WeakPolarHBondContact O-CB 3.24Å; K1302-D1305 PolarHBondContact O-N 2.9Å; A1303-D1305 VanDerWaalsContact C-N 3.31Å |
| 1306 | V | 85.6 | Confident | 93 | Very high | 31 Ų | 31 | 27.3 Ų | 27.3 | 19% | 0.188 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -34.5 | 174.3 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | K1302 A1303 L1304 I1546 V1547 F1550 | K1302-V1306 WeakPolarHBondContact O-CG2 3.44Å; K1302-V1306 PolarHBondContact O-N 2.86Å; A1303-V1306 CarbonylContact O-C 3.49Å; A1303-V1306 PolarHBondContact O-N 3.15Å; L1304-V1306 PolarHBondContact O-N 2.87Å; V1306-I1546 HydrophobicContact CG2-CG2 4.29Å; V1306-V1547 HydrophobicContact CG2-CG2 3.97Å; V1306-F1550 HydrophobicContact CG1-CB 3.48Å; V1306-F1550 VanDerWaalsContact CG1-CB 3.48Å; V1306-F1550 HydrophobicContact CG1-CD1 3.66Å; V1306-F1550 HydrophobicContact CG1-CD2 4.34Å; V1306-F1550 HydrophobicContact CG1-CE1 4.49Å; V1306-F1550 HydrophobicContact CG1-CG 3.57Å; V1306-F1550 WeakPolarHBondContact O-CD1 3.34Å; V1306-F1550 WeakPolarHBondContact O-CE1 3.36Å |
| 1307 | G | 88.2 | Confident | 92.8 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 128.5 | 5.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | A1303 L1304 F1550 | A1303-G1307 PolarHBondContact O-N 3.03Å; L1304-G1307 PolarHBondContact O-N 2.74Å; L1304-G1307 VanDerWaalsContact O-N 3.09Å; G1307-F1550 WeakPolarHBondContact O-CE2 3.38Å |
| 1308 | F | 92.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | trans | -63 | 138.2 | 172.6 | -82.2 | -100.9 | 0 | 0 | 0 | 110.9 | L1284 G1285 A1303 I1546 N1549 F1550 N1819 | L1284-F1308 HydrophobicContact CD1-CE1 3.76Å; L1284-F1308 HydrophobicContact CD1-CZ 4.05Å; L1284-F1308 HydrophobicContact CD2-CE1 3.88Å; L1284-F1308 HydrophobicContact CD2-CE2 4.35Å; L1284-F1308 HydrophobicContact CD2-CZ 3.78Å; L1284-F1308 HydrophobicContact CG-CD1 4.18Å; L1284-F1308 HydrophobicContact CG-CE1 3.54Å; L1284-F1308 HydrophobicContact CG-CZ 3.93Å; G1285-F1308 WeakPolarHBondContact O-CE1 3.47Å; A1303-F1308 HydrophobicContact CB-CB 4.03Å; A1303-F1308 HydrophobicContact CB-CD2 3.54Å; A1303-F1308 HydrophobicContact CB-CE2 4.25Å; A1303-F1308 HydrophobicContact CB-CG 4.04Å; A1303-F1308 PolarHBondContact O-N 2.86Å; F1308-I1546 HydrophobicContact CD2-CD1 4.32Å; F1308-I1546 HydrophobicContact CD2-CG2 4.45Å; F1308-I1546 HydrophobicContact CE2-CB 4.33Å; F1308-I1546 HydrophobicContact CE2-CD1 3.9Å; F1308-I1546 HydrophobicContact CE2-CG1 3.73Å; F1308-I1546 HydrophobicContact CE2-CG2 4.08Å; F1308-I1546 HydrophobicContact CZ-CD1 4.07Å; F1308-I1546 HydrophobicContact CZ-CG1 3.91Å; F1308-N1549 HydrophobicContact CZ-CB 4.3Å; F1308-F1550 HydrophobicContact CD2-CB 4.35Å; F1308-F1550 AromaticContact CD2-CD2 3.61Å; F1308-F1550 HydrophobicContact CD2-CD2 3.61Å; F1308-F1550 HydrophobicContact CD2-CE2 4.36Å; F1308-F1550 HydrophobicContact CD2-CG 4.33Å; F1308-F1550 HydrophobicContact CE2-CB 3.8Å; F1308-F1550 AromaticContact CE2-CD2 3.74Å; F1308-F1550 HydrophobicContact CE2-CD2 3.74Å; F1308-F1550 HydrophobicContact CE2-CG 4.22Å; F1308-F1550 HydrophobicContact CG-CD2 4.24Å; F1308-F1550 HydrophobicContact CZ-CD2 4.43Å; F1308-N1819 WeakPolarHBondContact CB-O 3.28Å | ||
| 1309 | R | 94.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 28.9 Ų | 28.9 | 14% | 0.14 | 14% | 0.136 | C | C | . | . | trans | -134 | -12.9 | -179.6 | -68.5 | -59.5 | -179.4 | -89.6 | 2.6 | 114.4 | P1282 L1304 D1340 V1341 F1342 M1820 | P1282-R1309 HydrophobicContact CG-CB 4.36Å; L1304-R1309 PolarHBondContact O-NH1 3.47Å; L1304-R1309 VanDerWaalsContact O-NH1 3.12Å; R1309-D1340 IonicContact NE-OD2 3.72Å; R1309-D1340 PolarHBondContact NE-OD2 3.28Å; R1309-V1341 HydrophobicContact CB-CG1 3.84Å; R1309-V1341 HydrophobicContact CG-CG1 4.31Å; R1309-V1341 WeakPolarHBondContact O-CA 3.43Å; R1309-V1341 WeakPolarHBondContact O-CB 3.18Å; R1309-V1341 WeakPolarHBondContact O-CG1 3.46Å; R1309-F1342 PolarHBondContact O-N 3.36Å; R1309-M1820 WeakPolarHBondContact CD-O 3.44Å | ||
| 1310 | H | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.7 | 168.7 | 170.4 | -159.4 | 0 | 0 | 0 | 109.4 | M1281 P1282 G1285 Y1286 F1342 T1344 I1537 | M1281-H1310 WeakPolarHBondContact CE-CE1 3.45Å; P1282-H1310 HydrophobicContact CB-CB 4.04Å; P1282-H1310 HydrophobicContact CG-CB 4.06Å; G1285-H1310 CarbonylContact C-O 3.28Å; G1285-H1310 WeakPolarHBondContact CA-ND1 3.21Å; G1285-H1310 WeakPolarHBondContact CA-O 3.16Å; Y1286-H1310 WeakPolarHBondContact CB-O 3.24Å; Y1286-H1310 PolarHBondContact N-O 3.13Å; H1310-F1342 CarbonylContact C-O 3.45Å; H1310-F1342 VanDerWaalsContact CA-O 3.3Å; H1310-F1342 WeakPolarHBondContact CA-O 3.39Å; H1310-F1342 HydrophobicContact CB-CB 3.65Å; H1310-F1342 AromaticContact CD2-CD1 3.83Å; H1310-F1342 PolarHBondContact CD2-O 3.05Å; H1310-F1342 VanDerWaalsContact CD2-O 3.32Å; H1310-F1342 AromaticContact NE2-CD1 3.96Å; H1310-T1344 PolarHBondContact NE2-OG1 2.8Å; H1310-I1537 VanDerWaalsContact CE1-CG2 3.4Å; H1310-I1537 WeakPolarHBondContact CE1-CG2 3.47Å |
| 1311 | I | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.4 | 162.1 | -73 | 179.2 | 0 | 0 | 0 | 109.1 | Y1286 T1288 I1323 F1342 T1344 M1820 | Y1286-I1311 WeakPolarHBondContact O-CA 3.43Å; T1288-I1311 HydrophobicContact CG2-CG2 3.99Å; I1311-I1323 HydrophobicContact CD1-CG2 3.98Å; I1311-F1342 PolarHBondContact N-O 3.28Å; I1311-F1342 VanDerWaalsContact O-O 3.13Å; I1311-T1344 PolarHBondContact O-N 3.49Å; I1311-M1820 HydrophobicContact CD1-CB 4.08Å; I1311-M1820 HydrophobicContact CD1-CG 3.5Å |
| 1312 | D | 98.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.4 | 161.6 | 178.8 | -91.8 | 0 | 0 | 0 | 111.4 | Y1286 G1287 T1288 T1344 K1346 Q1450 I1537 | Y1286-D1312 PolarHBondContact O-N 2.84Å; G1287-D1312 CarbonylContact C-O 3.51Å; G1287-D1312 WeakPolarHBondContact CA-O 3.26Å; T1288-D1312 WeakPolarHBondContact CG2-O 3.33Å; T1288-D1312 PolarHBondContact N-O 2.84Å; T1288-D1312 PolarHBondContact OG1-O 2.8Å; D1312-T1344 WeakPolarHBondContact OD2-CG2 3.49Å; D1312-K1346 IonicContact OD1-NZ 2.76Å; D1312-K1346 PolarHBondContact OD1-NZ 2.71Å; D1312-K1346 WeakPolarHBondContact OD2-CE 3.31Å; D1312-K1346 IonicContact OD2-NZ 3.73Å; D1312-K1346 PolarHBondContact OD2-NZ 3.38Å; D1312-Q1450 PolarHBondContact OD2-NE2 3.22Å; D1312-Q1450 PolarHBondContact OD2-OE1 2.82Å; D1312-I1537 HydrophobicContact CB-CB 4.15Å; D1312-I1537 HydrophobicContact CB-CD1 3.68Å; D1312-I1537 HydrophobicContact CB-CG2 3.94Å; D1312-I1537 WeakPolarHBondContact OD1-CD1 3.41Å |
| 1313 | T | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -133 | -174.9 | 174.1 | -160.1 | 0 | 0 | 0 | 0 | 110.9 | T1288 N1319 E1320 I1323 T1344 T1345 K1346 L1368 | T1288-T1313 WeakPolarHBondContact OG1-CA 2.93Å; T1288-T1313 VanDerWaalsContact OG1-CB 3.28Å; T1288-T1313 WeakPolarHBondContact OG1-CB 3.45Å; T1288-T1313 PolarHBondContact OG1-OG1 2.81Å; T1313-N1319 PolarHBondContact OG1-OD1 2.86Å; T1313-E1320 HydrophobicContact CG2-CG 4.05Å; T1313-I1323 HydrophobicContact CG2-CD1 4.01Å; T1313-I1323 WeakPolarHBondContact OG1-CD1 3.36Å; T1313-T1344 WeakPolarHBondContact CG2-O 3.28Å; T1313-T1344 PolarHBondContact N-O 3.17Å; T1313-T1345 WeakPolarHBondContact O-CA 3.24Å; T1313-K1346 WeakPolarHBondContact O-CG 3.36Å; T1313-K1346 PolarHBondContact O-NZ 2.96Å; T1313-L1368 HydrophobicContact CG2-CD2 4.35Å | ||
| 1314 | A | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -157.4 | 156.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1316 Y1317 T1345 K1346 | A1314-L1316 VanDerWaalsContact C-N 3.27Å; A1314-L1316 PolarHBondContact O-N 3.02Å; A1314-Y1317 HydrophobicContact CB-CD1 3.86Å; A1314-Y1317 HydrophobicContact CB-CD2 3.94Å; A1314-Y1317 HydrophobicContact CB-CE1 3.67Å; A1314-Y1317 HydrophobicContact CB-CE2 3.78Å; A1314-Y1317 HydrophobicContact CB-CG 3.97Å; A1314-Y1317 VanDerWaalsContact N-CD2 3.27Å; A1314-Y1317 WeakPolarHBondContact O-CB 3.41Å; A1314-Y1317 PolarHBondContact O-N 3.27Å; A1314-T1345 WeakPolarHBondContact CA-OG1 3.23Å; A1314-K1346 HydrophobicContact CB-CB 3.82Å; A1314-K1346 HydrophobicContact CB-CD 4.03Å; A1314-K1346 HydrophobicContact CB-CG 3.8Å | ||
| 1315 | Y | 93.7 | Very high | 93.6 | Very high | 28 Ų | 28 | 25.5 Ų | 25.5 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -51.1 | -46.5 | 173.4 | -174.3 | -72.1 | 0 | 0 | 0 | 112.1 | Y1317 E1318 K1346 P1348 Y1351 S1360 E1363 S1364 K1367 | Y1315-Y1317 PolarHBondContact O-N 2.89Å; Y1315-E1318 PolarHBondContact O-N 2.78Å; Y1315-E1318 VanDerWaalsContact O-N 3.12Å; Y1315-K1346 PolarHBondContact N-O 3.2Å; Y1315-P1348 HydrophobicContact CD1-CB 3.76Å; Y1315-P1348 HydrophobicContact CD1-CG 3.65Å; Y1315-P1348 HydrophobicContact CD2-CG 4.2Å; Y1315-P1348 HydrophobicContact CE1-CG 4.21Å; Y1315-P1348 HydrophobicContact CG-CB 4.08Å; Y1315-P1348 HydrophobicContact CG-CG 3.68Å; Y1315-Y1351 HydrophobicContact CE1-CE2 4.35Å; Y1315-Y1351 PolarHBondContact OH-OH 2.9Å; Y1315-Y1351 VanDerWaalsContact OH-OH 3.05Å; Y1315-S1360 WeakPolarHBondContact CD2-OG 3.32Å; Y1315-E1363 HydrophobicContact CE2-CB 3.9Å; Y1315-E1363 VanDerWaalsContact CE2-OE2 3.23Å; Y1315-E1363 WeakPolarHBondContact CE2-OE2 3.15Å; Y1315-E1363 PolarHBondContact OH-OE2 3.34Å; Y1315-S1364 WeakPolarHBondContact CD2-OG 3.3Å; Y1315-K1367 PolarHBondContact OH-NZ 3.11Å |
| 1316 | L | 89 | Confident | 94 | Very high | 49 Ų | 49 | 20.7 Ų | 20.7 | 26% | 0.257 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -66.1 | -5.1 | 180 | -66.1 | -177.6 | 0 | 0 | 0 | 114.6 | A1314 E1318 P1348 W1349 | A1314-L1316 VanDerWaalsContact C-N 3.27Å; A1314-L1316 PolarHBondContact O-N 3.02Å; L1316-E1318 VanDerWaalsContact C-N 3.32Å; L1316-P1348 HydrophobicContact CD1-CB 4.38Å; L1316-P1348 HydrophobicContact CD2-CB 3.52Å; L1316-P1348 HydrophobicContact CG-CB 3.67Å; L1316-W1349 HydrophobicContact CD1-CD2 3.82Å; L1316-W1349 VanDerWaalsContact CD1-CE2 3.49Å; L1316-W1349 HydrophobicContact CD1-CG 3.93Å; L1316-W1349 HydrophobicContact CD1-CZ2 4.04Å |
| 1317 | Y | 91.6 | Very high | 94.5 | Very high | 29 Ų | 29 | 19.2 Ų | 19.2 | 11% | 0.114 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -86.7 | -7.5 | 175.3 | -56.5 | -9.3 | 0 | 0 | 0 | 111.6 | T1288 W1289 Q1292 A1314 Y1315 N1319 K1346 H1379 | T1288-Y1317 WeakPolarHBondContact OG1-CD2 3.46Å; W1289-Y1317 HydrophobicContact CB-CD2 4.36Å; W1289-Y1317 HydrophobicContact CB-CE1 4.26Å; W1289-Y1317 HydrophobicContact CB-CE2 3.94Å; W1289-Y1317 AromaticContact CD1-CD1 3.61Å; W1289-Y1317 AromaticContact CD1-CE1 3.43Å; W1289-Y1317 VanDerWaalsContact CD1-CE1 3.43Å; W1289-Y1317 AromaticContact CD1-CZ 3.98Å; W1289-Y1317 HydrophobicContact CG-CE1 4.14Å; Q1292-Y1317 PolarHBondContact NE2-O 3.17Å; A1314-Y1317 HydrophobicContact CB-CD1 3.86Å; A1314-Y1317 HydrophobicContact CB-CD2 3.94Å; A1314-Y1317 HydrophobicContact CB-CE1 3.67Å; A1314-Y1317 HydrophobicContact CB-CE2 3.78Å; A1314-Y1317 HydrophobicContact CB-CG 3.97Å; A1314-Y1317 VanDerWaalsContact N-CD2 3.27Å; A1314-Y1317 WeakPolarHBondContact O-CB 3.41Å; A1314-Y1317 PolarHBondContact O-N 3.27Å; Y1315-Y1317 PolarHBondContact O-N 2.89Å; Y1317-N1319 WeakPolarHBondContact O-CB 3.38Å; Y1317-N1319 PolarHBondContact O-N 3.21Å; Y1317-K1346 PolarHBondContact OH-NZ 3.35Å; Y1317-H1379 AromaticContact CE1-CE1 3.83Å |
| 1318 | E | 89.5 | Confident | 94.8 | Very high | 133 Ų | 133 | 23.4 Ų | 23.4 | 62% | 0.621 | 12% | 0.116 | S | C | * | . | S | Bend | trans | 51.8 | 8.8 | 179.4 | -65.1 | -168.8 | 145.3 | 0 | 0 | 115.5 | Y1315 L1316 R1391 | Y1315-E1318 PolarHBondContact O-N 2.78Å; Y1315-E1318 VanDerWaalsContact O-N 3.12Å; L1316-E1318 VanDerWaalsContact C-N 3.32Å; E1318-R1391 IonicContact OE1-NH2 2.87Å; E1318-R1391 PolarHBondContact OE1-NH2 3.11Å |
| 1319 | N | 94.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | trans | -104.5 | -3.9 | -169.3 | 69.1 | 0.5 | 0 | 0 | 0 | 114.2 | T1288 A1291 Q1292 L1296 T1313 Y1317 G1321 V1322 I1323 | T1288-N1319 WeakPolarHBondContact CB-ND2 3.21Å; T1288-N1319 PolarHBondContact O-ND2 3.45Å; T1288-N1319 PolarHBondContact OG1-ND2 3Å; A1291-N1319 WeakPolarHBondContact O-CB 3.27Å; A1291-N1319 PolarHBondContact O-ND2 2.81Å; Q1292-N1319 VanDerWaalsContact OE1-CB 3.24Å; L1296-N1319 HydrophobicContact CD2-CB 3.71Å; T1313-N1319 PolarHBondContact OG1-OD1 2.86Å; Y1317-N1319 WeakPolarHBondContact O-CB 3.38Å; Y1317-N1319 PolarHBondContact O-N 3.21Å; N1319-G1321 PolarHBondContact O-N 3.05Å; N1319-G1321 VanDerWaalsContact O-N 3.14Å; N1319-V1322 PolarHBondContact O-N 2.93Å; N1319-I1323 PolarHBondContact O-N 3.28Å | ||
| 1320 | E | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.5 | -32.5 | -177.2 | -68 | -174.1 | 129.7 | 0 | 0 | 113.2 | T1313 V1322 I1323 G1324 T1345 S1364 K1367 L1368 | T1313-E1320 HydrophobicContact CG2-CG 4.05Å; E1320-V1322 PolarHBondContact O-N 3.29Å; E1320-I1323 WeakPolarHBondContact O-CB 3.41Å; E1320-I1323 PolarHBondContact O-N 3.31Å; E1320-G1324 PolarHBondContact O-N 3.29Å; E1320-T1345 WeakPolarHBondContact OE1-CB 3.48Å; E1320-T1345 PolarHBondContact OE1-OG1 3.47Å; E1320-S1364 VanDerWaalsContact CD-OG 3.26Å; E1320-S1364 WeakPolarHBondContact OE1-CB 3.31Å; E1320-S1364 PolarHBondContact OE1-OG 2.87Å; E1320-S1364 VanDerWaalsContact OE1-OG 3.14Å; E1320-S1364 WeakPolarHBondContact OE2-CA 3.32Å; E1320-S1364 VanDerWaalsContact OE2-CB 3.29Å; E1320-S1364 WeakPolarHBondContact OE2-CB 3.48Å; E1320-S1364 PolarHBondContact OE2-OG 3.19Å; E1320-K1367 HydrophobicContact CB-CB 3.59Å; E1320-K1367 HydrophobicContact CB-CD 4.29Å; E1320-K1367 CarbonylContact O-C 3.4Å; E1320-L1368 HydrophobicContact CB-CD2 3.88Å; E1320-L1368 HydrophobicContact CB-CG 3.99Å; E1320-L1368 HydrophobicContact CG-CD2 4.08Å; E1320-L1368 HydrophobicContact CG-CG 4.26Å |
| 1321 | G | 94.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 28.4 Ų | 28.4 | 29% | 0.289 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -59.8 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1319 G1324 E1325 K1367 | N1319-G1321 PolarHBondContact O-N 3.05Å; N1319-G1321 VanDerWaalsContact O-N 3.14Å; G1321-G1324 PolarHBondContact O-N 3.02Å; G1321-E1325 PolarHBondContact O-N 3.05Å; G1321-E1325 VanDerWaalsContact O-N 3.12Å; G1321-K1367 WeakPolarHBondContact CA-O 3.48Å |
| 1322 | V | 94.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 13% | 0.127 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.9 | -38.2 | 177.6 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | L1296 R1297 N1319 E1320 G1324 E1325 V1326 | L1296-V1322 HydrophobicContact CB-CG1 4.03Å; L1296-V1322 HydrophobicContact CD2-CB 3.81Å; L1296-V1322 HydrophobicContact CD2-CG1 3.94Å; L1296-V1322 HydrophobicContact CG-CB 4.47Å; L1296-V1322 HydrophobicContact CG-CG1 4.05Å; R1297-V1322 HydrophobicContact CB-CG1 3.94Å; N1319-V1322 PolarHBondContact O-N 2.93Å; E1320-V1322 PolarHBondContact O-N 3.29Å; V1322-G1324 VanDerWaalsContact C-N 3.28Å; V1322-G1324 PolarHBondContact O-N 3.13Å; V1322-E1325 PolarHBondContact O-N 3.43Å; V1322-V1326 HydrophobicContact CG1-CG2 4.49Å; V1322-V1326 WeakPolarHBondContact O-CG2 3.44Å; V1322-V1326 PolarHBondContact O-N 2.96Å |
| 1323 | I | 97.2 | Very high | 93 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.6 | -47.3 | 171.6 | -52.5 | 176.8 | 0 | 0 | 0 | 109.1 | T1288 L1296 L1300 I1311 T1313 N1319 E1320 E1325 V1326 L1327 L1368 | T1288-I1323 HydrophobicContact CG2-CD1 3.92Å; L1296-I1323 HydrophobicContact CD2-CG1 4.04Å; L1300-I1323 HydrophobicContact CD2-CB 3.91Å; L1300-I1323 HydrophobicContact CD2-CG1 3.74Å; L1300-I1323 HydrophobicContact CD2-CG2 3.89Å; I1311-I1323 HydrophobicContact CD1-CG2 3.98Å; T1313-I1323 HydrophobicContact CG2-CD1 4.01Å; T1313-I1323 WeakPolarHBondContact OG1-CD1 3.36Å; N1319-I1323 PolarHBondContact O-N 3.28Å; E1320-I1323 WeakPolarHBondContact O-CB 3.41Å; E1320-I1323 PolarHBondContact O-N 3.31Å; I1323-E1325 VanDerWaalsContact C-N 3.31Å; I1323-E1325 PolarHBondContact O-N 2.85Å; I1323-V1326 PolarHBondContact O-N 3.27Å; I1323-L1327 HydrophobicContact CG2-CD1 3.81Å; I1323-L1327 HydrophobicContact CG2-CG 4.2Å; I1323-L1327 VanDerWaalsContact O-CB 3.29Å; I1323-L1327 WeakPolarHBondContact O-CB 3.49Å; I1323-L1327 WeakPolarHBondContact O-CD1 3.34Å; I1323-L1327 WeakPolarHBondContact O-CG 3.25Å; I1323-L1327 PolarHBondContact O-N 3.27Å; I1323-L1368 HydrophobicContact CB-CD2 3.88Å; I1323-L1368 HydrophobicContact CD1-CD2 4.34Å; I1323-L1368 HydrophobicContact CG2-CD2 3.8Å |
| 1324 | G | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -30.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | E1320 G1321 V1322 L1327 Q1328 L1368 | E1320-G1324 PolarHBondContact O-N 3.29Å; G1321-G1324 PolarHBondContact O-N 3.02Å; V1322-G1324 VanDerWaalsContact C-N 3.28Å; V1322-G1324 PolarHBondContact O-N 3.13Å; G1324-L1327 WeakPolarHBondContact O-CB 3.19Å; G1324-Q1328 PolarHBondContact O-N 3.18Å; G1324-L1368 WeakPolarHBondContact CA-O 3.36Å |
| 1325 | E | 94.9 | Very high | 91.3 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75.8 | -45.1 | 174 | -70.7 | 169.9 | -163.3 | 0 | 0 | 112.9 | R1297 G1321 V1322 I1323 L1327 Q1328 Q1329 | R1297-E1325 IonicContact CZ-OE2 3.14Å; R1297-E1325 VanDerWaalsContact CZ-OE2 3.23Å; R1297-E1325 IonicContact NE-OE2 2.75Å; R1297-E1325 PolarHBondContact NE-OE2 2.82Å; R1297-E1325 IonicContact NH2-OE1 2.74Å; R1297-E1325 IonicContact NH2-OE2 3.35Å; R1297-E1325 PolarHBondContact NH2-OE2 3.23Å; G1321-E1325 PolarHBondContact O-N 3.05Å; G1321-E1325 VanDerWaalsContact O-N 3.12Å; V1322-E1325 PolarHBondContact O-N 3.43Å; I1323-E1325 VanDerWaalsContact C-N 3.31Å; I1323-E1325 PolarHBondContact O-N 2.85Å; E1325-L1327 PolarHBondContact O-N 2.85Å; E1325-Q1328 PolarHBondContact O-N 3.44Å; E1325-Q1329 WeakPolarHBondContact O-CB 3.41Å; E1325-Q1329 VanDerWaalsContact O-CG 3.26Å; E1325-Q1329 WeakPolarHBondContact O-CG 3.44Å; E1325-Q1329 PolarHBondContact O-N 2.94Å; E1325-Q1329 VanDerWaalsContact O-N 3.11Å |
| 1326 | V | 96.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.9 | -25.3 | 179.5 | -143.8 | 0 | 0 | 0 | 0 | 111.1 | R1297 L1300 K1301 V1322 I1323 W1330 N1819 M1820 | R1297-V1326 HydrophobicContact CB-CG2 4.42Å; R1297-V1326 HydrophobicContact CG-CG2 3.93Å; L1300-V1326 HydrophobicContact CB-CB 3.85Å; L1300-V1326 HydrophobicContact CB-CG1 4.01Å; L1300-V1326 HydrophobicContact CB-CG2 3.51Å; L1300-V1326 HydrophobicContact CD2-CB 4.45Å; L1300-V1326 HydrophobicContact CD2-CG2 4.08Å; L1300-V1326 HydrophobicContact CG-CG2 4.44Å; K1301-V1326 HydrophobicContact CD-CG1 4.33Å; K1301-V1326 HydrophobicContact CG-CG1 3.53Å; V1322-V1326 HydrophobicContact CG1-CG2 4.49Å; V1322-V1326 WeakPolarHBondContact O-CG2 3.44Å; V1322-V1326 PolarHBondContact O-N 2.96Å; I1323-V1326 PolarHBondContact O-N 3.27Å; V1326-W1330 PolarHBondContact O-N 2.85Å; V1326-N1819 VanDerWaalsContact CG1-ND2 3.29Å; V1326-N1819 WeakPolarHBondContact CG1-ND2 3.34Å; V1326-M1820 HydrophobicContact CB-SD 4.43Å; V1326-M1820 VanDerWaalsContact O-SD 3.39Å |
| 1327 | L | 96.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -49 | -76.7 | 162.4 | -77.8 | 166.7 | 0 | 0 | 0 | 109 | I1323 G1324 E1325 Q1329 W1330 F1331 L1368 L1370 M1820 S1821 | I1323-L1327 HydrophobicContact CG2-CD1 3.81Å; I1323-L1327 HydrophobicContact CG2-CG 4.2Å; I1323-L1327 VanDerWaalsContact O-CB 3.29Å; I1323-L1327 WeakPolarHBondContact O-CB 3.49Å; I1323-L1327 WeakPolarHBondContact O-CD1 3.34Å; I1323-L1327 WeakPolarHBondContact O-CG 3.25Å; I1323-L1327 PolarHBondContact O-N 3.27Å; G1324-L1327 WeakPolarHBondContact O-CB 3.19Å; E1325-L1327 PolarHBondContact O-N 2.85Å; L1327-Q1329 PolarHBondContact O-N 3.11Å; L1327-W1330 PolarHBondContact O-N 2.83Å; L1327-F1331 HydrophobicContact CB-CE2 3.86Å; L1327-F1331 HydrophobicContact CB-CZ 3.66Å; L1327-F1331 HydrophobicContact CD2-CE2 4.42Å; L1327-F1331 HydrophobicContact CD2-CZ 3.63Å; L1327-F1331 HydrophobicContact CG-CZ 4.25Å; L1327-F1331 WeakPolarHBondContact O-CD2 3.47Å; L1327-F1331 VanDerWaalsContact O-CE1 3.23Å; L1327-F1331 WeakPolarHBondContact O-CE1 3.42Å; L1327-F1331 WeakPolarHBondContact O-CE2 3.49Å; L1327-F1331 WeakPolarHBondContact O-CZ 3.46Å; L1327-L1368 HydrophobicContact CD1-CB 4.33Å; L1327-L1368 HydrophobicContact CD1-CD2 4.4Å; L1327-L1368 WeakPolarHBondContact CD1-O 3.34Å; L1327-L1370 HydrophobicContact CD1-CD1 4.12Å; L1327-L1370 HydrophobicContact CD1-CD2 4.05Å; L1327-L1370 HydrophobicContact CD1-CG 4.02Å; L1327-L1370 HydrophobicContact CD2-CD2 4.21Å; L1327-M1820 VanDerWaalsContact CA-CE 3.48Å; L1327-M1820 WeakPolarHBondContact CA-SD 3.28Å; L1327-M1820 HydrophobicContact CB-CE 4.43Å; L1327-M1820 HydrophobicContact CB-SD 4.03Å; L1327-M1820 HydrophobicContact CD2-CB 4.42Å; L1327-M1820 HydrophobicContact CD2-CE 3.87Å; L1327-M1820 HydrophobicContact CD2-CG 3.63Å; L1327-M1820 HydrophobicContact CD2-SD 3.57Å; L1327-M1820 VanDerWaalsContact CD2-SD 3.57Å; L1327-M1820 HydrophobicContact CG-CE 4.38Å; L1327-M1820 HydrophobicContact CG-CG 4.09Å; L1327-M1820 HydrophobicContact CG-SD 3.65Å; L1327-M1820 PolarHBondContact N-SD 3.2Å; L1327-S1821 WeakPolarHBondContact CD2-OG 3.3Å |
| 1328 | Q | 94.3 | Very high | 90.7 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.9 | -30 | -172.3 | -63.7 | -61.8 | -21.3 | 0 | 0 | 113.6 | G1324 E1325 F1331 A1332 K1369 | G1324-Q1328 PolarHBondContact O-N 3.18Å; E1325-Q1328 PolarHBondContact O-N 3.44Å; Q1328-F1331 PolarHBondContact O-N 2.8Å; Q1328-A1332 WeakPolarHBondContact O-CB 3.32Å; Q1328-A1332 PolarHBondContact O-N 3.16Å; Q1328-A1332 VanDerWaalsContact O-N 3.11Å; Q1328-K1369 HydrophobicContact CG-CB 4.01Å; Q1328-K1369 HydrophobicContact CG-CD 4.25Å; Q1328-K1369 PolarHBondContact NE2-O 2.84Å |
| 1329 | Q | 90.2 | Very high | 90.7 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 38% | 0.379 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -34.3 | 174.4 | -72.3 | 173.5 | 27.9 | 0 | 0 | 114.5 | E1325 L1327 S1333 | E1325-Q1329 WeakPolarHBondContact O-CB 3.41Å; E1325-Q1329 VanDerWaalsContact O-CG 3.26Å; E1325-Q1329 WeakPolarHBondContact O-CG 3.44Å; E1325-Q1329 PolarHBondContact O-N 2.94Å; E1325-Q1329 VanDerWaalsContact O-N 3.11Å; L1327-Q1329 PolarHBondContact O-N 3.11Å; Q1329-S1333 PolarHBondContact O-N 2.74Å |
| 1330 | W | 91.5 | Very high | 90.4 | Very high | 31 Ų | 31 | 40.9 Ų | 40.9 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.1 | -33 | 178.9 | -158.9 | 56 | 0 | 0 | 0 | 112 | L1304 V1326 L1327 S1333 G1334 A1335 G1336 M1820 S1821 | L1304-W1330 HydrophobicContact CB-CZ2 4.08Å; L1304-W1330 HydrophobicContact CD1-CB 4.17Å; L1304-W1330 HydrophobicContact CD1-CD2 3.54Å; L1304-W1330 HydrophobicContact CD1-CE3 4.2Å; L1304-W1330 HydrophobicContact CD1-CG 3.51Å; L1304-W1330 HydrophobicContact CD1-CZ2 4.4Å; L1304-W1330 HydrophobicContact CD2-CD2 3.8Å; L1304-W1330 HydrophobicContact CD2-CE3 3.74Å; L1304-W1330 HydrophobicContact CD2-CH2 3.6Å; L1304-W1330 HydrophobicContact CD2-CZ2 3.62Å; L1304-W1330 HydrophobicContact CD2-CZ3 3.66Å; L1304-W1330 HydrophobicContact CG-CD2 4.17Å; L1304-W1330 HydrophobicContact CG-CZ2 4.24Å; V1326-W1330 PolarHBondContact O-N 2.85Å; L1327-W1330 PolarHBondContact O-N 2.83Å; W1330-S1333 PolarHBondContact O-N 3.45Å; W1330-S1333 PolarHBondContact O-OG 3.17Å; W1330-G1334 PolarHBondContact O-N 3.09Å; W1330-A1335 HydrophobicContact CD2-CB 4.01Å; W1330-A1335 HydrophobicContact CG-CB 4.29Å; W1330-A1335 HydrophobicContact CH2-CB 4.44Å; W1330-A1335 WeakPolarHBondContact CH2-O 3.41Å; W1330-A1335 HydrophobicContact CZ2-CB 3.61Å; W1330-A1335 VanDerWaalsContact CZ2-O 3.26Å; W1330-A1335 WeakPolarHBondContact CZ2-O 3.3Å; W1330-A1335 WeakPolarHBondContact CZ3-O 3.39Å; W1330-A1335 PolarHBondContact O-N 3.44Å; W1330-G1336 VanDerWaalsContact CZ3-CA 3.48Å; W1330-M1820 HydrophobicContact CB-CE 3.43Å; W1330-M1820 VanDerWaalsContact CB-CE 3.43Å; W1330-M1820 HydrophobicContact CD2-CE 4.3Å; W1330-M1820 HydrophobicContact CE3-CE 4.11Å; W1330-M1820 HydrophobicContact CG-CE 4.09Å; W1330-S1821 WeakPolarHBondContact CZ3-O 3.44Å |
| 1331 | F | 91.8 | Very high | 90.1 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -78 | -39.7 | -178.4 | -32.8 | -38.6 | 0 | 0 | 0 | 110.9 | L1327 Q1328 S1333 G1334 G1336 K1337 M1820 H1822 | L1327-F1331 HydrophobicContact CB-CE2 3.86Å; L1327-F1331 HydrophobicContact CB-CZ 3.66Å; L1327-F1331 HydrophobicContact CD2-CE2 4.42Å; L1327-F1331 HydrophobicContact CD2-CZ 3.63Å; L1327-F1331 HydrophobicContact CG-CZ 4.25Å; L1327-F1331 WeakPolarHBondContact O-CD2 3.47Å; L1327-F1331 VanDerWaalsContact O-CE1 3.23Å; L1327-F1331 WeakPolarHBondContact O-CE1 3.42Å; L1327-F1331 WeakPolarHBondContact O-CE2 3.49Å; L1327-F1331 WeakPolarHBondContact O-CZ 3.46Å; Q1328-F1331 PolarHBondContact O-N 2.8Å; F1331-S1333 PolarHBondContact O-N 3.14Å; F1331-G1334 PolarHBondContact O-N 3.37Å; F1331-G1336 WeakPolarHBondContact CA-O 3.17Å; F1331-K1337 WeakPolarHBondContact CD1-O 3.26Å; F1331-K1337 WeakPolarHBondContact CD2-O 3.36Å; F1331-K1337 WeakPolarHBondContact CG-O 3.15Å; F1331-M1820 HydrophobicContact CD1-CE 4.47Å; F1331-M1820 HydrophobicContact CE1-CE 3.34Å; F1331-M1820 HydrophobicContact CZ-CE 3.6Å; F1331-H1822 HydrophobicContact CD1-CB 3.99Å; F1331-H1822 AromaticContact CD1-ND1 3.54Å; F1331-H1822 AromaticContact CD2-ND1 4Å; F1331-H1822 HydrophobicContact CE1-CB 3.75Å; F1331-H1822 AromaticContact CE1-CE1 3.83Å; F1331-H1822 AromaticContact CE1-CG 3.57Å; F1331-H1822 AromaticContact CE1-ND1 2.87Å; F1331-H1822 WeakPolarHBondContact CE1-ND1 3.04Å; F1331-H1822 AromaticContact CE2-CE1 3.67Å; F1331-H1822 AromaticContact CE2-ND1 3.35Å; F1331-H1822 WeakPolarHBondContact CE2-ND1 3.43Å; F1331-H1822 AromaticContact CZ-CE1 3.28Å; F1331-H1822 WeakPolarHBondContact CZ-CE1 3.09Å; F1331-H1822 AromaticContact CZ-CG 3.87Å; F1331-H1822 AromaticContact CZ-ND1 2.77Å; F1331-H1822 WeakPolarHBondContact CZ-ND1 3.3Å |
| 1332 | A | 84.8 | Confident | 90.3 | Very high | 91 Ų | 91 | 39.6 Ų | 39.6 | 75% | 0.752 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.1 | -29.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1328 G1334 | Q1328-A1332 WeakPolarHBondContact O-CB 3.32Å; Q1328-A1332 PolarHBondContact O-N 3.16Å; Q1328-A1332 VanDerWaalsContact O-N 3.11Å; A1332-G1334 VanDerWaalsContact C-N 3.28Å; A1332-G1334 PolarHBondContact O-N 3.06Å |
| 1333 | S | 84.6 | Confident | 90.5 | Very high | 78 Ų | 78 | 38.6 Ų | 38.6 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -3.1 | 172.9 | 79.2 | 0 | 0 | 0 | 0 | 114.8 | Q1329 W1330 F1331 A1335 | Q1329-S1333 PolarHBondContact O-N 2.74Å; W1330-S1333 PolarHBondContact O-N 3.45Å; W1330-S1333 PolarHBondContact O-OG 3.17Å; F1331-S1333 PolarHBondContact O-N 3.14Å; S1333-A1335 PolarHBondContact O-N 3.2Å |
| 1334 | G | 78.1 | Confident | 90.5 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 49% | 0.485 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -6.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | W1330 F1331 A1332 G1336 | W1330-G1334 PolarHBondContact O-N 3.09Å; F1331-G1334 PolarHBondContact O-N 3.37Å; A1332-G1334 VanDerWaalsContact C-N 3.28Å; A1332-G1334 PolarHBondContact O-N 3.06Å; G1334-G1336 VanDerWaalsContact C-N 3.29Å; G1334-G1336 PolarHBondContact O-N 2.88Å |
| 1335 | A | 77.1 | Confident | 90.7 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -74.4 | -12.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | W1330 S1333 | W1330-A1335 HydrophobicContact CD2-CB 4.01Å; W1330-A1335 HydrophobicContact CG-CB 4.29Å; W1330-A1335 HydrophobicContact CH2-CB 4.44Å; W1330-A1335 WeakPolarHBondContact CH2-O 3.41Å; W1330-A1335 HydrophobicContact CZ2-CB 3.61Å; W1330-A1335 VanDerWaalsContact CZ2-O 3.26Å; W1330-A1335 WeakPolarHBondContact CZ2-O 3.3Å; W1330-A1335 WeakPolarHBondContact CZ3-O 3.39Å; W1330-A1335 PolarHBondContact O-N 3.44Å; S1333-A1335 PolarHBondContact O-N 3.2Å |
| 1336 | G | 82.2 | Confident | 90.8 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | trans | -163.1 | -177.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1330 F1331 G1334 H1822 | W1330-G1336 VanDerWaalsContact CZ3-CA 3.48Å; F1331-G1336 WeakPolarHBondContact CA-O 3.17Å; G1334-G1336 VanDerWaalsContact C-N 3.29Å; G1334-G1336 PolarHBondContact O-N 2.88Å; G1336-H1822 WeakPolarHBondContact CA-O 3.49Å | ||
| 1337 | K | 87.8 | Confident | 90.9 | Very high | 114 Ų | 114 | 35.4 Ų | 35.4 | 50% | 0.496 | 21% | 0.21 | S | C | . | . | trans | -130.7 | -100.4 | 177 | -69.5 | 96 | -169.9 | -173.5 | 0 | 117.7 | F1331 H1822 L1823 | F1331-K1337 WeakPolarHBondContact CD1-O 3.26Å; F1331-K1337 WeakPolarHBondContact CD2-O 3.36Å; F1331-K1337 WeakPolarHBondContact CG-O 3.15Å; K1337-H1822 VanDerWaalsContact N-CB 3.34Å; K1337-H1822 PolarHBondContact N-O 3.37Å; K1337-H1822 WeakPolarHBondContact O-CB 3.28Å; K1337-H1822 PolarHBondContact O-ND1 3.01Å; K1337-L1823 HydrophobicContact CB-CD1 4.15Å; K1337-L1823 HydrophobicContact CD-CD1 4.08Å; K1337-L1823 HydrophobicContact CD-CD2 3.77Å; K1337-L1823 HydrophobicContact CD-CG 4.32Å | ||
| 1338 | R | 93 | Very high | 90.8 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -109.9 | -148.4 | 158 | 177.5 | 52.6 | -153 | 101.6 | -5.2 | 107.7 | D1340 Y1372 D1374 H1822 L1823 | R1338-D1340 PolarHBondContact O-N 2.93Å; R1338-D1340 VanDerWaalsContact O-N 3.16Å; R1338-Y1372 HydrophobicContact CG-CD1 4.41Å; R1338-Y1372 HydrophobicContact CG-CE1 3.52Å; R1338-Y1372 VanDerWaalsContact NE-CZ 3.34Å; R1338-Y1372 PolarHBondContact NE-O 3.14Å; R1338-Y1372 PolarHBondContact NH2-O 2.81Å; R1338-D1374 IonicContact CZ-OD1 2.79Å; R1338-D1374 IonicContact CZ-OD2 3.53Å; R1338-D1374 IonicContact NH1-OD1 3.76Å; R1338-D1374 IonicContact NH1-OD2 3.01Å; R1338-D1374 PolarHBondContact NH1-OD2 3.04Å; R1338-D1374 VanDerWaalsContact NH2-CG 3.33Å; R1338-D1374 IonicContact NH2-OD1 2.77Å; R1338-D1374 PolarHBondContact NH2-OD1 2.91Å; R1338-D1374 IonicContact NH2-OD2 3.24Å; R1338-D1374 PolarHBondContact NH2-OD2 3.42Å; R1338-H1822 VanDerWaalsContact CA-CD2 3.42Å; R1338-H1822 WeakPolarHBondContact CA-CD2 3.4Å; R1338-H1822 WeakPolarHBondContact CA-ND1 3.43Å; R1338-H1822 VanDerWaalsContact CD-NE2 3.33Å; R1338-H1822 WeakPolarHBondContact CD-NE2 3.48Å; R1338-H1822 PolarHBondContact NH1-CD2 3.23Å; R1338-H1822 VanDerWaalsContact NH1-CD2 3.26Å; R1338-H1822 PolarHBondContact NH1-NE2 3.26Å; R1338-H1822 CarbonylContact O-C 3.56Å; R1338-H1822 WeakPolarHBondContact O-CA 3.18Å; R1338-H1822 WeakPolarHBondContact O-CB 3.34Å; R1338-H1822 PolarHBondContact O-CD2 3.03Å; R1338-L1823 PolarHBondContact O-N 3.19Å |
| 1339 | E | 88 | Confident | 90.5 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | trans | 83.3 | -71.3 | 150 | -84.9 | 87.2 | 64.5 | 0 | 0 | 123.4 | V1341 Y1372 H1822 M1824 | E1339-V1341 PolarHBondContact O-N 2.65Å; E1339-Y1372 WeakPolarHBondContact CG-OH 3.38Å; E1339-Y1372 PolarHBondContact N-OH 3.04Å; E1339-Y1372 PolarHBondContact OE2-OH 3.19Å; E1339-H1822 PolarHBondContact N-CD2 3.26Å; E1339-M1824 VanDerWaalsContact C-N 3.27Å; E1339-M1824 CarbonylContact C-O 3.58Å; E1339-M1824 WeakPolarHBondContact CA-O 3.24Å; E1339-M1824 VanDerWaalsContact CB-C 3.47Å; E1339-M1824 VanDerWaalsContact CB-N 3.28Å; E1339-M1824 WeakPolarHBondContact CB-O 3.42Å; E1339-M1824 WeakPolarHBondContact CG-O 3.19Å | ||
| 1340 | D | 87.8 | Confident | 90.4 | Very high | 56 Ų | 56 | 30 Ų | 30 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -46.9 | -16.8 | -154.6 | -117.8 | 0.7 | 0 | 0 | 0 | 119.2 | R1309 R1338 L1823 M1824 | R1309-D1340 IonicContact NE-OD2 3.72Å; R1309-D1340 PolarHBondContact NE-OD2 3.28Å; R1338-D1340 PolarHBondContact O-N 2.93Å; R1338-D1340 VanDerWaalsContact O-N 3.16Å; D1340-L1823 VanDerWaalsContact CA-C 3.5Å; D1340-M1824 VanDerWaalsContact CA-CB 3.44Å; D1340-M1824 PolarHBondContact OD1-N 3.44Å |
| 1341 | V | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | S | Bend | -144.6 | -171.7 | -119.2 | -80.4 | 0 | 0 | 0 | 0 | 110.8 | R1309 E1339 S1821 H1822 | R1309-V1341 HydrophobicContact CB-CG1 3.84Å; R1309-V1341 HydrophobicContact CG-CG1 4.31Å; R1309-V1341 WeakPolarHBondContact O-CA 3.43Å; R1309-V1341 WeakPolarHBondContact O-CB 3.18Å; R1309-V1341 WeakPolarHBondContact O-CG1 3.46Å; E1339-V1341 PolarHBondContact O-N 2.65Å; V1341-S1821 VanDerWaalsContact CB-CA 3.47Å; V1341-S1821 VanDerWaalsContact CG2-CA 3.45Å; V1341-H1822 VanDerWaalsContact CG2-CD2 3.48Å; V1341-H1822 WeakPolarHBondContact CG2-CD2 3.19Å | |
| 1342 | F | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 97.8 | 176.5 | -130.4 | -96 | 0 | 0 | 0 | 110.6 | L1275 L1279 M1281 R1309 H1310 I1311 D1374 L1375 | L1275-F1342 HydrophobicContact CD1-CE2 4.05Å; L1275-F1342 HydrophobicContact CD1-CZ 3.54Å; L1279-F1342 HydrophobicContact CD2-CE2 3.55Å; L1279-F1342 HydrophobicContact CD2-CZ 4.02Å; L1279-F1342 HydrophobicContact CG-CE2 3.94Å; M1281-F1342 HydrophobicContact CB-CD2 4.01Å; M1281-F1342 HydrophobicContact CB-CE1 4.36Å; M1281-F1342 HydrophobicContact CB-CE2 3.83Å; M1281-F1342 HydrophobicContact CB-CG 4.37Å; M1281-F1342 HydrophobicContact CB-CZ 4.06Å; M1281-F1342 HydrophobicContact CE-CD1 3.65Å; M1281-F1342 HydrophobicContact CE-CE1 3.53Å; M1281-F1342 HydrophobicContact CE-CZ 4.48Å; M1281-F1342 HydrophobicContact CG-CD1 3.66Å; M1281-F1342 HydrophobicContact CG-CD2 3.96Å; M1281-F1342 HydrophobicContact CG-CE1 3.67Å; M1281-F1342 HydrophobicContact CG-CE2 3.99Å; M1281-F1342 HydrophobicContact CG-CG 3.81Å; M1281-F1342 HydrophobicContact CG-CZ 3.88Å; M1281-F1342 HydrophobicContact SD-CD1 3.83Å; M1281-F1342 HydrophobicContact SD-CE1 3.32Å; M1281-F1342 WeakPolarHBondContact SD-CE1 3.35Å; M1281-F1342 HydrophobicContact SD-CE2 4.41Å; M1281-F1342 HydrophobicContact SD-CZ 3.71Å; R1309-F1342 PolarHBondContact O-N 3.36Å; H1310-F1342 CarbonylContact C-O 3.45Å; H1310-F1342 VanDerWaalsContact CA-O 3.3Å; H1310-F1342 WeakPolarHBondContact CA-O 3.39Å; H1310-F1342 HydrophobicContact CB-CB 3.65Å; H1310-F1342 AromaticContact CD2-CD1 3.83Å; H1310-F1342 PolarHBondContact CD2-O 3.05Å; H1310-F1342 VanDerWaalsContact CD2-O 3.32Å; H1310-F1342 AromaticContact NE2-CD1 3.96Å; I1311-F1342 PolarHBondContact N-O 3.28Å; I1311-F1342 VanDerWaalsContact O-O 3.13Å; F1342-D1374 HydrophobicContact CD1-CB 4.47Å; F1342-D1374 HydrophobicContact CD2-CB 4.03Å; F1342-D1374 HydrophobicContact CE2-CB 4.08Å; F1342-D1374 HydrophobicContact CG-CB 4.2Å; F1342-D1374 HydrophobicContact CZ-CB 4.29Å; F1342-L1375 HydrophobicContact CD1-CB 4.27Å; F1342-L1375 HydrophobicContact CE1-CB 3.31Å; F1342-L1375 HydrophobicContact CE1-CD2 3.77Å; F1342-L1375 HydrophobicContact CE1-CG 4.17Å; F1342-L1375 HydrophobicContact CZ-CB 3.79Å |
| 1343 | V | 98.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 109.3 | 162.5 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | L1368 L1370 V1373 D1374 L1375 S1821 | V1343-L1368 HydrophobicContact CG1-CD1 4.07Å; V1343-L1370 HydrophobicContact CB-CD1 4.19Å; V1343-L1370 HydrophobicContact CG1-CD1 3.93Å; V1343-L1370 HydrophobicContact CG2-CD1 3.9Å; V1343-V1373 HydrophobicContact CG1-CB 4.45Å; V1343-V1373 HydrophobicContact CG1-CG1 4.11Å; V1343-D1374 PolarHBondContact N-OD2 2.88Å; V1343-D1374 PolarHBondContact O-N 3.48Å; V1343-L1375 PolarHBondContact O-N 3.35Å; V1343-L1375 VanDerWaalsContact O-N 3.11Å; V1343-S1821 WeakPolarHBondContact CG2-OG 3.5Å |
| 1344 | T | 98.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.2 | 169.4 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | H1310 I1311 D1312 T1313 L1375 L1377 | H1310-T1344 PolarHBondContact NE2-OG1 2.8Å; I1311-T1344 PolarHBondContact O-N 3.49Å; D1312-T1344 WeakPolarHBondContact OD2-CG2 3.49Å; T1313-T1344 WeakPolarHBondContact CG2-O 3.28Å; T1313-T1344 PolarHBondContact N-O 3.17Å; T1344-L1375 VanDerWaalsContact CA-O 3.3Å; T1344-L1375 WeakPolarHBondContact CA-O 3.24Å; T1344-L1375 HydrophobicContact CG2-CB 4.23Å; T1344-L1375 HydrophobicContact CG2-CD2 3.88Å; T1344-L1375 HydrophobicContact CG2-CG 4.01Å; T1344-L1377 HydrophobicContact CG2-CD1 3.69Å; T1344-L1377 HydrophobicContact CG2-CG 4.03Å |
| 1345 | T | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 173 | 162.6 | -164 | 0 | 0 | 0 | 0 | 110.9 | T1313 A1314 E1320 L1361 V1373 L1375 F1376 L1377 | T1313-T1345 WeakPolarHBondContact O-CA 3.24Å; A1314-T1345 WeakPolarHBondContact CA-OG1 3.23Å; E1320-T1345 WeakPolarHBondContact OE1-CB 3.48Å; E1320-T1345 PolarHBondContact OE1-OG1 3.47Å; T1345-L1361 HydrophobicContact CG2-CD1 4.15Å; T1345-V1373 HydrophobicContact CG2-CG1 3.93Å; T1345-V1373 HydrophobicContact CG2-CG2 4.3Å; T1345-L1375 PolarHBondContact N-O 3.28Å; T1345-L1375 VanDerWaalsContact N-O 3.08Å; T1345-F1376 HydrophobicContact CG2-CD2 3.79Å; T1345-F1376 HydrophobicContact CG2-CE2 4.07Å; T1345-F1376 WeakPolarHBondContact O-CA 3.14Å; T1345-L1377 PolarHBondContact O-N 2.95Å |
| 1346 | K | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 135.8 | -168.9 | -36.7 | -176.6 | -179.6 | 70.6 | 0 | 112.2 | D1312 T1313 A1314 Y1315 Y1317 L1377 H1379 | D1312-K1346 IonicContact OD1-NZ 2.76Å; D1312-K1346 PolarHBondContact OD1-NZ 2.71Å; D1312-K1346 WeakPolarHBondContact OD2-CE 3.31Å; D1312-K1346 IonicContact OD2-NZ 3.73Å; D1312-K1346 PolarHBondContact OD2-NZ 3.38Å; T1313-K1346 WeakPolarHBondContact O-CG 3.36Å; T1313-K1346 PolarHBondContact O-NZ 2.96Å; A1314-K1346 HydrophobicContact CB-CB 3.82Å; A1314-K1346 HydrophobicContact CB-CD 4.03Å; A1314-K1346 HydrophobicContact CB-CG 3.8Å; Y1315-K1346 PolarHBondContact N-O 3.2Å; Y1317-K1346 PolarHBondContact OH-NZ 3.35Å; K1346-L1377 CarbonylContact C-O 3.57Å; K1346-L1377 WeakPolarHBondContact CA-O 3.39Å; K1346-L1377 HydrophobicContact CB-CB 4.23Å; K1346-L1377 WeakPolarHBondContact CB-O 3.29Å; K1346-L1377 HydrophobicContact CD-CB 4.47Å; K1346-L1377 HydrophobicContact CD-CD1 4.34Å; K1346-L1377 HydrophobicContact CG-CB 4.02Å; K1346-L1377 HydrophobicContact CG-CD1 4.34Å; K1346-H1379 HydrophobicContact CB-CB 3.73Å; K1346-H1379 HydrophobicContact CD-CB 4.37Å; K1346-H1379 VanDerWaalsContact CD-CD2 3.44Å; K1346-H1379 WeakPolarHBondContact CD-CD2 3.12Å |
| 1347 | L | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 122.6 | 174.8 | -176.7 | 73 | 0 | 0 | 0 | 110.5 | V1357 F1376 L1377 H1379 T1409 M1413 | L1347-V1357 HydrophobicContact CD1-CB 4.14Å; L1347-V1357 HydrophobicContact CD1-CG1 4.12Å; L1347-V1357 HydrophobicContact CD1-CG2 3.99Å; L1347-V1357 HydrophobicContact CD2-CG1 4.47Å; L1347-V1357 HydrophobicContact CD2-CG2 3.8Å; L1347-F1376 HydrophobicContact CB-CE1 4.28Å; L1347-F1376 HydrophobicContact CB-CE2 4.22Å; L1347-F1376 HydrophobicContact CB-CZ 3.75Å; L1347-F1376 HydrophobicContact CD1-CE1 4.28Å; L1347-F1376 HydrophobicContact CD1-CZ 3.84Å; L1347-F1376 HydrophobicContact CG-CZ 4.43Å; L1347-L1377 PolarHBondContact N-O 3.43Å; L1347-H1379 WeakPolarHBondContact O-CB 3Å; L1347-T1409 HydrophobicContact CD2-CG2 3.38Å; L1347-M1413 HydrophobicContact CD2-SD 4.4Å |
| 1348 | P | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -70.8 | 152.5 | 177.2 | 33.9 | -36.1 | 0 | 0 | 0 | 110.5 | Y1315 L1316 H1350 Y1351 H1352 S1360 | Y1315-P1348 HydrophobicContact CD1-CB 3.76Å; Y1315-P1348 HydrophobicContact CD1-CG 3.65Å; Y1315-P1348 HydrophobicContact CD2-CG 4.2Å; Y1315-P1348 HydrophobicContact CE1-CG 4.21Å; Y1315-P1348 HydrophobicContact CG-CB 4.08Å; Y1315-P1348 HydrophobicContact CG-CG 3.68Å; L1316-P1348 HydrophobicContact CD1-CB 4.38Å; L1316-P1348 HydrophobicContact CD2-CB 3.52Å; L1316-P1348 HydrophobicContact CG-CB 3.67Å; P1348-H1350 PolarHBondContact O-N 2.9Å; P1348-Y1351 HydrophobicContact CB-CD2 4.49Å; P1348-Y1351 HydrophobicContact CG-CD2 3.46Å; P1348-Y1351 VanDerWaalsContact CG-CD2 3.46Å; P1348-Y1351 HydrophobicContact CG-CE2 4.16Å; P1348-Y1351 HydrophobicContact CG-CG 3.87Å; P1348-Y1351 PolarHBondContact O-N 3.28Å; P1348-H1352 PolarHBondContact O-CD2 2.74Å; P1348-S1360 WeakPolarHBondContact CD-OG 3.22Å | ||
| 1349 | W | 88 | Confident | 92.5 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -57.3 | -27.1 | -172.5 | -42.5 | -21.3 | 0 | 0 | 0 | 113.1 | L1316 H1352 H1379 T1380 S1383 T1384 | L1316-W1349 HydrophobicContact CD1-CD2 3.82Å; L1316-W1349 VanDerWaalsContact CD1-CE2 3.49Å; L1316-W1349 HydrophobicContact CD1-CG 3.93Å; L1316-W1349 HydrophobicContact CD1-CZ2 4.04Å; W1349-H1352 PolarHBondContact O-CD2 2.89Å; W1349-H1379 AromaticContact NE1-ND1 3.96Å; W1349-T1380 HydrophobicContact CB-CG2 4.33Å; W1349-T1380 HydrophobicContact CD2-CG2 4.3Å; W1349-T1380 HydrophobicContact CG-CG2 3.72Å; W1349-S1383 WeakPolarHBondContact O-CA 3.41Å; W1349-T1384 VanDerWaalsContact C-OG1 3.23Å; W1349-T1384 HydrophobicContact CB-CG2 3.94Å; W1349-T1384 VanDerWaalsContact CB-OG1 3.31Å; W1349-T1384 WeakPolarHBondContact CB-OG1 3.2Å; W1349-T1384 HydrophobicContact CE3-CG2 4.21Å; W1349-T1384 PolarHBondContact O-N 2.92Å; W1349-T1384 PolarHBondContact O-OG1 3.14Å |
| 1350 | H | 88.1 | Confident | 92.8 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -92.7 | 4.2 | -177.3 | 56.1 | -78.9 | 0 | 0 | 0 | 115.7 | P1348 T1384 K1385 A1386 G1390 L1392 | P1348-H1350 PolarHBondContact O-N 2.9Å; H1350-T1384 VanDerWaalsContact CA-O 3.3Å; H1350-T1384 WeakPolarHBondContact CA-O 3.23Å; H1350-T1384 PolarHBondContact N-OG1 3.13Å; H1350-K1385 VanDerWaalsContact CB-O 3.28Å; H1350-K1385 WeakPolarHBondContact CB-O 3.38Å; H1350-A1386 HydrophobicContact CB-CB 4.05Å; H1350-G1390 PolarHBondContact CD2-O 3.32Å; H1350-G1390 PolarHBondContact NE2-O 3.08Å; H1350-L1392 HydrophobicContact CB-CD1 3.96Å; H1350-L1392 PolarHBondContact CD2-N 3.05Å; H1350-L1392 PolarHBondContact NE2-N 3.08Å |
| 1351 | Y | 92.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -117.1 | 28.5 | 175 | -74.7 | -118.8 | 0 | 0 | 0 | 111.7 | Y1315 P1348 R1353 D1356 V1357 R1359 S1360 E1363 G1390 | Y1315-Y1351 HydrophobicContact CE1-CE2 4.35Å; Y1315-Y1351 PolarHBondContact OH-OH 2.9Å; Y1315-Y1351 VanDerWaalsContact OH-OH 3.05Å; P1348-Y1351 HydrophobicContact CB-CD2 4.49Å; P1348-Y1351 HydrophobicContact CG-CD2 3.46Å; P1348-Y1351 VanDerWaalsContact CG-CD2 3.46Å; P1348-Y1351 HydrophobicContact CG-CE2 4.16Å; P1348-Y1351 HydrophobicContact CG-CG 3.87Å; P1348-Y1351 PolarHBondContact O-N 3.28Å; Y1351-R1353 VanDerWaalsContact C-N 3.34Å; Y1351-R1353 PolarHBondContact O-N 3Å; Y1351-D1356 HydrophobicContact CD1-CB 3.74Å; Y1351-D1356 WeakPolarHBondContact CD1-O 3.31Å; Y1351-D1356 HydrophobicContact CG-CB 4.01Å; Y1351-D1356 CarbonylContact O-C 3.59Å; Y1351-V1357 WeakPolarHBondContact O-CG2 3.22Å; Y1351-V1357 PolarHBondContact O-N 3.27Å; Y1351-R1359 HydrophobicContact CE1-CB 4.44Å; Y1351-R1359 HydrophobicContact CE1-CG 4.01Å; Y1351-S1360 VanDerWaalsContact CD1-CB 3.49Å; Y1351-E1363 PolarHBondContact OH-OE1 2.83Å; Y1351-E1363 PolarHBondContact OH-OE2 2.95Å; Y1351-G1390 VanDerWaalsContact CE2-O 3.26Å; Y1351-G1390 WeakPolarHBondContact CE2-O 3.41Å; Y1351-G1390 PolarHBondContact OH-O 3.32Å |
| 1352 | H | 92.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | trans | -71.1 | -21 | -174.6 | -87.1 | -149.3 | 0 | 0 | 0 | 115.4 | P1348 W1349 T1380 L1382 S1383 V1404 T1409 | P1348-H1352 PolarHBondContact O-CD2 2.74Å; W1349-H1352 PolarHBondContact O-CD2 2.89Å; H1352-T1380 PolarHBondContact CE1-O 2.88Å; H1352-L1382 PolarHBondContact CE1-O 3.04Å; H1352-L1382 VanDerWaalsContact CE1-O 3.3Å; H1352-S1383 WeakPolarHBondContact ND1-CA 3.4Å; H1352-S1383 WeakPolarHBondContact ND1-CB 3.27Å; H1352-V1404 HydrophobicContact CB-CB 4.07Å; H1352-V1404 HydrophobicContact CB-CG1 4.18Å; H1352-V1404 HydrophobicContact CB-CG2 4.2Å; H1352-T1409 HydrophobicContact CB-CG2 4.36Å; H1352-T1409 WeakPolarHBondContact O-CB 3.13Å; H1352-T1409 WeakPolarHBondContact O-CG2 3.3Å; H1352-T1409 PolarHBondContact O-OG1 2.78Å | ||
| 1353 | R | 87.7 | Confident | 93.4 | Very high | 108 Ų | 108 | 33.9 Ų | 33.9 | 41% | 0.408 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -70.1 | 146 | 179.2 | -58.6 | 174.7 | -173 | 159.2 | -7 | 110.1 | Y1351 A1355 D1356 V1357 D1402 V1404 | Y1351-R1353 VanDerWaalsContact C-N 3.34Å; Y1351-R1353 PolarHBondContact O-N 3Å; R1353-A1355 VanDerWaalsContact C-N 3.29Å; R1353-A1355 PolarHBondContact O-N 3.29Å; R1353-A1355 VanDerWaalsContact O-N 3.09Å; R1353-D1356 PolarHBondContact O-N 3.32Å; R1353-V1357 PolarHBondContact O-N 3.5Å; R1353-D1402 IonicContact CZ-OD1 2.72Å; R1353-D1402 IonicContact CZ-OD2 3.5Å; R1353-D1402 IonicContact NE-OD2 2.73Å; R1353-D1402 PolarHBondContact NE-OD2 2.69Å; R1353-D1402 IonicContact NH2-OD1 3.32Å; R1353-D1402 PolarHBondContact NH2-OD1 2.81Å; R1353-D1402 IonicContact NH2-OD2 3.45Å; R1353-D1402 PolarHBondContact NH2-OD2 2.88Å; R1353-V1404 HydrophobicContact CG-CG1 4.34Å; R1353-V1404 HydrophobicContact CG-CG2 3.58Å |
| 1354 | R | 86.7 | Confident | 93.4 | Very high | 100 Ų | 100 | 33.9 Ų | 33.9 | 38% | 0.377 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -53.7 | -38.6 | -168.7 | -177.9 | 164.4 | -156.3 | 149.9 | 4.4 | 115.5 | E1408 R1411 A1412 D1415 | R1354-E1408 HydrophobicContact CB-CG 4.17Å; R1354-E1408 VanDerWaalsContact CB-OE1 3.24Å; R1354-E1408 WeakPolarHBondContact CB-OE1 3.24Å; R1354-E1408 PolarHBondContact N-OE1 3.15Å; R1354-R1411 PolarHBondContact NH2-O 3.08Å; R1354-A1412 HydrophobicContact CB-CB 4.13Å; R1354-A1412 HydrophobicContact CG-CB 3.76Å; R1354-D1415 IonicContact CZ-OD1 3.88Å; R1354-D1415 IonicContact CZ-OD2 3.4Å; R1354-D1415 IonicContact NE-OD2 2.78Å; R1354-D1415 PolarHBondContact NE-OD2 2.88Å; R1354-D1415 IonicContact NH2-OD1 2.66Å; R1354-D1415 PolarHBondContact NH2-OD1 3.21Å; R1354-D1415 IonicContact NH2-OD2 3.52Å; R1354-D1415 PolarHBondContact NH2-OD2 2.77Å |
| 1355 | A | 83.5 | Confident | 93.4 | Very high | 83 Ų | 83 | 34.4 Ų | 34.4 | 69% | 0.686 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -67.7 | -37.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1353 | R1353-A1355 VanDerWaalsContact C-N 3.29Å; R1353-A1355 PolarHBondContact O-N 3.29Å; R1353-A1355 VanDerWaalsContact O-N 3.09Å |
| 1356 | D | 91.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 37 Ų | 37 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.4 | -27.5 | -177.2 | -65.6 | -57.9 | 0 | 0 | 0 | 112.3 | Y1351 R1353 E1358 R1359 S1360 | Y1351-D1356 HydrophobicContact CD1-CB 3.74Å; Y1351-D1356 WeakPolarHBondContact CD1-O 3.31Å; Y1351-D1356 HydrophobicContact CG-CB 4.01Å; Y1351-D1356 CarbonylContact O-C 3.59Å; R1353-D1356 PolarHBondContact O-N 3.32Å; D1356-E1358 PolarHBondContact O-N 2.98Å; D1356-R1359 WeakPolarHBondContact O-CB 3.4Å; D1356-R1359 PolarHBondContact O-N 3.15Å; D1356-R1359 IonicContact OD1-NH1 3.78Å; D1356-S1360 WeakPolarHBondContact O-CB 3.4Å; D1356-S1360 PolarHBondContact O-N 2.81Å |
| 1357 | V | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 178.9 | 176.6 | 0 | 0 | 0 | 0 | 112.9 | L1347 Y1351 R1353 L1361 F1376 T1409 A1412 M1413 V1416 | L1347-V1357 HydrophobicContact CD1-CB 4.14Å; L1347-V1357 HydrophobicContact CD1-CG1 4.12Å; L1347-V1357 HydrophobicContact CD1-CG2 3.99Å; L1347-V1357 HydrophobicContact CD2-CG1 4.47Å; L1347-V1357 HydrophobicContact CD2-CG2 3.8Å; Y1351-V1357 WeakPolarHBondContact O-CG2 3.22Å; Y1351-V1357 PolarHBondContact O-N 3.27Å; R1353-V1357 PolarHBondContact O-N 3.5Å; V1357-L1361 PolarHBondContact O-N 3.32Å; V1357-F1376 HydrophobicContact CG1-CE1 4.03Å; V1357-T1409 HydrophobicContact CG2-CG2 4.01Å; V1357-A1412 HydrophobicContact CB-CB 3.6Å; V1357-A1412 HydrophobicContact CG1-CB 3.8Å; V1357-A1412 HydrophobicContact CG2-CB 3.67Å; V1357-M1413 HydrophobicContact CG1-SD 3.93Å; V1357-V1416 HydrophobicContact CG1-CG1 4.44Å |
| 1358 | E | 94.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 40.1 Ų | 40.1 | 21% | 0.21 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.6 | -42.1 | 174.7 | -175.4 | -179.3 | 157.7 | 0 | 0 | 112 | D1356 S1360 L1361 K1362 V1416 K1419 L1421 | D1356-E1358 PolarHBondContact O-N 2.98Å; E1358-S1360 VanDerWaalsContact C-N 3.34Å; E1358-S1360 PolarHBondContact O-N 3Å; E1358-L1361 PolarHBondContact O-N 3.36Å; E1358-K1362 HydrophobicContact CG-CD 4.14Å; E1358-K1362 HydrophobicContact CG-CG 4.46Å; E1358-K1362 WeakPolarHBondContact O-CB 3.35Å; E1358-K1362 PolarHBondContact O-N 2.94Å; E1358-K1362 WeakPolarHBondContact OE1-CE 3.23Å; E1358-K1362 IonicContact OE1-NZ 2.59Å; E1358-K1362 PolarHBondContact OE1-NZ 2.66Å; E1358-V1416 HydrophobicContact CB-CG1 3.83Å; E1358-V1416 HydrophobicContact CG-CG1 4.13Å; E1358-K1419 IonicContact OE2-NZ 2.75Å; E1358-K1419 PolarHBondContact OE2-NZ 3.43Å; E1358-L1421 HydrophobicContact CG-CD1 3.85Å |
| 1359 | R | 92.3 | Very high | 93.3 | Very high | 109 Ų | 109 | 44.8 Ų | 44.8 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 177.7 | -179.6 | -169.8 | 162.5 | -179 | 0.2 | 111.1 | Y1351 D1356 L1361 K1362 E1363 | Y1351-R1359 HydrophobicContact CE1-CB 4.44Å; Y1351-R1359 HydrophobicContact CE1-CG 4.01Å; D1356-R1359 WeakPolarHBondContact O-CB 3.4Å; D1356-R1359 PolarHBondContact O-N 3.15Å; D1356-R1359 IonicContact OD1-NH1 3.78Å; R1359-L1361 PolarHBondContact O-N 3.38Å; R1359-K1362 PolarHBondContact O-N 2.97Å; R1359-E1363 WeakPolarHBondContact CG-OE1 3.45Å; R1359-E1363 IonicContact CZ-OE1 2.74Å; R1359-E1363 IonicContact NE-OE1 2.96Å; R1359-E1363 PolarHBondContact NE-OE1 3.47Å; R1359-E1363 IonicContact NH2-OE1 3.11Å; R1359-E1363 PolarHBondContact NH2-OE1 3.06Å; R1359-E1363 WeakPolarHBondContact O-CB 3.39Å; R1359-E1363 WeakPolarHBondContact O-CG 3.07Å; R1359-E1363 PolarHBondContact O-N 2.85Å |
| 1360 | S | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | Y1315 P1348 Y1351 D1356 E1358 E1363 S1364 | Y1315-S1360 WeakPolarHBondContact CD2-OG 3.32Å; P1348-S1360 WeakPolarHBondContact CD-OG 3.22Å; Y1351-S1360 VanDerWaalsContact CD1-CB 3.49Å; D1356-S1360 WeakPolarHBondContact O-CB 3.4Å; D1356-S1360 PolarHBondContact O-N 2.81Å; E1358-S1360 VanDerWaalsContact C-N 3.34Å; E1358-S1360 PolarHBondContact O-N 3Å; S1360-E1363 PolarHBondContact O-N 2.8Å; S1360-S1364 PolarHBondContact O-N 2.74Å; S1360-S1364 PolarHBondContact O-OG 3.42Å |
| 1361 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -40.4 | 179.2 | -176.8 | 55.4 | 0 | 0 | 0 | 111.5 | T1345 V1357 E1358 R1359 S1364 L1365 V1373 F1376 V1416 L1421 | T1345-L1361 HydrophobicContact CG2-CD1 4.15Å; V1357-L1361 PolarHBondContact O-N 3.32Å; E1358-L1361 PolarHBondContact O-N 3.36Å; R1359-L1361 PolarHBondContact O-N 3.38Å; L1361-S1364 PolarHBondContact O-N 3.18Å; L1361-L1365 HydrophobicContact CD1-CD1 4.39Å; L1361-L1365 HydrophobicContact CD1-CG 4.13Å; L1361-L1365 HydrophobicContact CG-CD1 4.05Å; L1361-L1365 HydrophobicContact CG-CG 4.28Å; L1361-L1365 WeakPolarHBondContact O-CB 3.41Å; L1361-L1365 WeakPolarHBondContact O-CG 3.35Å; L1361-L1365 PolarHBondContact O-N 3.31Å; L1361-V1373 HydrophobicContact CD1-CG1 4.35Å; L1361-V1373 HydrophobicContact CD1-CG2 3.82Å; L1361-F1376 HydrophobicContact CB-CE1 4Å; L1361-F1376 HydrophobicContact CB-CE2 4.3Å; L1361-F1376 HydrophobicContact CB-CZ 3.84Å; L1361-F1376 HydrophobicContact CD1-CD2 3.86Å; L1361-F1376 HydrophobicContact CD1-CE2 3.94Å; L1361-F1376 HydrophobicContact CD1-CG 4.19Å; L1361-F1376 HydrophobicContact CD1-CZ 4.32Å; L1361-F1376 HydrophobicContact CD2-CD1 3.97Å; L1361-F1376 HydrophobicContact CD2-CE1 4.18Å; L1361-F1376 HydrophobicContact CD2-CG 4.24Å; L1361-F1376 HydrophobicContact CG-CE1 4.49Å; L1361-F1376 HydrophobicContact CG-CZ 4.48Å; L1361-V1416 HydrophobicContact CD2-CB 3.83Å; L1361-V1416 HydrophobicContact CD2-CG1 4.37Å; L1361-V1416 HydrophobicContact CD2-CG2 3.85Å; L1361-L1421 HydrophobicContact CD2-CB 3.53Å; L1361-L1421 HydrophobicContact CG-CB 4.19Å |
| 1362 | K | 96 | Very high | 94.1 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 173.3 | -81.3 | 177.4 | 165 | 168 | 0 | 112.4 | E1358 R1359 L1365 G1366 L1421 | E1358-K1362 HydrophobicContact CG-CD 4.14Å; E1358-K1362 HydrophobicContact CG-CG 4.46Å; E1358-K1362 WeakPolarHBondContact O-CB 3.35Å; E1358-K1362 PolarHBondContact O-N 2.94Å; E1358-K1362 WeakPolarHBondContact OE1-CE 3.23Å; E1358-K1362 IonicContact OE1-NZ 2.59Å; E1358-K1362 PolarHBondContact OE1-NZ 2.66Å; R1359-K1362 PolarHBondContact O-N 2.97Å; K1362-L1365 PolarHBondContact O-N 3.32Å; K1362-G1366 PolarHBondContact O-N 2.83Å; K1362-L1421 HydrophobicContact CG-CD1 4.4Å |
| 1363 | E | 95.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 174 | -74.3 | 175.4 | -161.6 | 0 | 0 | 111.7 | Y1315 Y1351 R1359 S1360 K1367 | Y1315-E1363 HydrophobicContact CE2-CB 3.9Å; Y1315-E1363 VanDerWaalsContact CE2-OE2 3.23Å; Y1315-E1363 WeakPolarHBondContact CE2-OE2 3.15Å; Y1315-E1363 PolarHBondContact OH-OE2 3.34Å; Y1351-E1363 PolarHBondContact OH-OE1 2.83Å; Y1351-E1363 PolarHBondContact OH-OE2 2.95Å; R1359-E1363 WeakPolarHBondContact CG-OE1 3.45Å; R1359-E1363 IonicContact CZ-OE1 2.74Å; R1359-E1363 IonicContact NE-OE1 2.96Å; R1359-E1363 PolarHBondContact NE-OE1 3.47Å; R1359-E1363 IonicContact NH2-OE1 3.11Å; R1359-E1363 PolarHBondContact NH2-OE1 3.06Å; R1359-E1363 WeakPolarHBondContact O-CB 3.39Å; R1359-E1363 WeakPolarHBondContact O-CG 3.07Å; R1359-E1363 PolarHBondContact O-N 2.85Å; S1360-E1363 PolarHBondContact O-N 2.8Å; E1363-K1367 WeakPolarHBondContact O-CD 3.38Å; E1363-K1367 WeakPolarHBondContact O-CG 3.45Å; E1363-K1367 PolarHBondContact O-N 3.29Å |
| 1364 | S | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 173.5 | -77.2 | 0 | 0 | 0 | 0 | 112.7 | Y1315 E1320 S1360 L1361 K1367 L1368 | Y1315-S1364 WeakPolarHBondContact CD2-OG 3.3Å; E1320-S1364 VanDerWaalsContact CD-OG 3.26Å; E1320-S1364 WeakPolarHBondContact OE1-CB 3.31Å; E1320-S1364 PolarHBondContact OE1-OG 2.87Å; E1320-S1364 VanDerWaalsContact OE1-OG 3.14Å; E1320-S1364 WeakPolarHBondContact OE2-CA 3.32Å; E1320-S1364 VanDerWaalsContact OE2-CB 3.29Å; E1320-S1364 WeakPolarHBondContact OE2-CB 3.48Å; E1320-S1364 PolarHBondContact OE2-OG 3.19Å; S1360-S1364 PolarHBondContact O-N 2.74Å; S1360-S1364 PolarHBondContact O-OG 3.42Å; L1361-S1364 PolarHBondContact O-N 3.18Å; S1364-K1367 PolarHBondContact O-N 3.12Å; S1364-L1368 VanDerWaalsContact O-CB 3.25Å; S1364-L1368 WeakPolarHBondContact O-CB 3.41Å; S1364-L1368 WeakPolarHBondContact O-CG 3.48Å; S1364-L1368 PolarHBondContact O-N 2.81Å |
| 1365 | L | 98 | Very high | 95.4 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 175.6 | -75.7 | 173 | 0 | 0 | 0 | 111.8 | L1361 K1362 L1368 K1369 L1370 Y1372 V1373 L1421 | L1361-L1365 HydrophobicContact CD1-CD1 4.39Å; L1361-L1365 HydrophobicContact CD1-CG 4.13Å; L1361-L1365 HydrophobicContact CG-CD1 4.05Å; L1361-L1365 HydrophobicContact CG-CG 4.28Å; L1361-L1365 WeakPolarHBondContact O-CB 3.41Å; L1361-L1365 WeakPolarHBondContact O-CG 3.35Å; L1361-L1365 PolarHBondContact O-N 3.31Å; K1362-L1365 PolarHBondContact O-N 3.32Å; L1365-L1368 CarbonylContact O-C 3.53Å; L1365-L1368 PolarHBondContact O-N 2.95Å; L1365-K1369 WeakPolarHBondContact O-CA 3.2Å; L1365-K1369 PolarHBondContact O-N 2.86Å; L1365-L1370 WeakPolarHBondContact CB-O 3.45Å; L1365-L1370 HydrophobicContact CD2-CB 4.07Å; L1365-L1370 WeakPolarHBondContact CD2-O 3.28Å; L1365-L1370 PolarHBondContact O-N 2.99Å; L1365-L1370 VanDerWaalsContact O-N 3.08Å; L1365-Y1372 VanDerWaalsContact CD2-C 3.44Å; L1365-V1373 HydrophobicContact CD2-CG1 3.73Å; L1365-L1421 HydrophobicContact CD1-CB 4.01Å; L1365-L1421 HydrophobicContact CD1-CD2 3.88Å; L1365-L1421 HydrophobicContact CD1-CG 4.47Å |
| 1366 | G | 94.9 | Very high | 96.1 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 55% | 0.546 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1362 K1369 | K1362-G1366 PolarHBondContact O-N 2.83Å; G1366-K1369 PolarHBondContact O-N 3.39Å |
| 1367 | K | 97.3 | Very high | 96.5 | Very high | 66 Ų | 66 | 34 Ų | 34 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62 | -48.6 | 173.4 | -69.1 | 162 | -168.4 | 171.8 | 0 | 111.1 | Y1315 E1320 G1321 E1363 S1364 K1369 | Y1315-K1367 PolarHBondContact OH-NZ 3.11Å; E1320-K1367 HydrophobicContact CB-CB 3.59Å; E1320-K1367 HydrophobicContact CB-CD 4.29Å; E1320-K1367 CarbonylContact O-C 3.4Å; G1321-K1367 WeakPolarHBondContact CA-O 3.48Å; E1363-K1367 WeakPolarHBondContact O-CD 3.38Å; E1363-K1367 WeakPolarHBondContact O-CG 3.45Å; E1363-K1367 PolarHBondContact O-N 3.29Å; S1364-K1367 PolarHBondContact O-N 3.12Å; K1367-K1369 PolarHBondContact O-N 2.91Å |
| 1368 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.4 | -13.1 | 178 | -67.3 | 168.8 | 0 | 0 | 0 | 113.3 | T1313 E1320 I1323 G1324 L1327 V1343 S1364 L1365 L1370 V1373 | T1313-L1368 HydrophobicContact CG2-CD2 4.35Å; E1320-L1368 HydrophobicContact CB-CD2 3.88Å; E1320-L1368 HydrophobicContact CB-CG 3.99Å; E1320-L1368 HydrophobicContact CG-CD2 4.08Å; E1320-L1368 HydrophobicContact CG-CG 4.26Å; I1323-L1368 HydrophobicContact CB-CD2 3.88Å; I1323-L1368 HydrophobicContact CD1-CD2 4.34Å; I1323-L1368 HydrophobicContact CG2-CD2 3.8Å; G1324-L1368 WeakPolarHBondContact CA-O 3.36Å; L1327-L1368 HydrophobicContact CD1-CB 4.33Å; L1327-L1368 HydrophobicContact CD1-CD2 4.4Å; L1327-L1368 WeakPolarHBondContact CD1-O 3.34Å; V1343-L1368 HydrophobicContact CG1-CD1 4.07Å; S1364-L1368 VanDerWaalsContact O-CB 3.25Å; S1364-L1368 WeakPolarHBondContact O-CB 3.41Å; S1364-L1368 WeakPolarHBondContact O-CG 3.48Å; S1364-L1368 PolarHBondContact O-N 2.81Å; L1365-L1368 CarbonylContact O-C 3.53Å; L1365-L1368 PolarHBondContact O-N 2.95Å; L1368-L1370 VanDerWaalsContact C-N 3.3Å; L1368-L1370 HydrophobicContact CB-CB 4.36Å; L1368-L1370 HydrophobicContact CB-CD1 3.85Å; L1368-L1370 HydrophobicContact CB-CG 3.9Å; L1368-L1370 HydrophobicContact CD1-CD1 4.24Å; L1368-L1370 PolarHBondContact O-N 2.99Å; L1368-V1373 HydrophobicContact CD1-CG1 3.87Å |
| 1369 | K | 96.3 | Very high | 96.6 | Very high | 98 Ų | 98 | 32.8 Ų | 32.8 | 43% | 0.426 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 48.8 | -174.2 | -48.4 | -174.3 | -168.3 | 179.9 | 0 | 111.5 | Q1328 L1365 G1366 K1367 | Q1328-K1369 HydrophobicContact CG-CB 4.01Å; Q1328-K1369 HydrophobicContact CG-CD 4.25Å; Q1328-K1369 PolarHBondContact NE2-O 2.84Å; L1365-K1369 WeakPolarHBondContact O-CA 3.2Å; L1365-K1369 PolarHBondContact O-N 2.86Å; G1366-K1369 PolarHBondContact O-N 3.39Å; K1367-K1369 PolarHBondContact O-N 2.91Å |
| 1370 | L | 96.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | trans | -129.1 | 149.5 | 179.8 | -62.6 | 176.6 | 0 | 0 | 0 | 110.6 | L1327 V1343 L1365 L1368 | L1327-L1370 HydrophobicContact CD1-CD1 4.12Å; L1327-L1370 HydrophobicContact CD1-CD2 4.05Å; L1327-L1370 HydrophobicContact CD1-CG 4.02Å; L1327-L1370 HydrophobicContact CD2-CD2 4.21Å; V1343-L1370 HydrophobicContact CB-CD1 4.19Å; V1343-L1370 HydrophobicContact CG1-CD1 3.93Å; V1343-L1370 HydrophobicContact CG2-CD1 3.9Å; L1365-L1370 WeakPolarHBondContact CB-O 3.45Å; L1365-L1370 HydrophobicContact CD2-CB 4.07Å; L1365-L1370 WeakPolarHBondContact CD2-O 3.28Å; L1365-L1370 PolarHBondContact O-N 2.99Å; L1365-L1370 VanDerWaalsContact O-N 3.08Å; L1368-L1370 VanDerWaalsContact C-N 3.3Å; L1368-L1370 HydrophobicContact CB-CB 4.36Å; L1368-L1370 HydrophobicContact CB-CD1 3.85Å; L1368-L1370 HydrophobicContact CB-CG 3.9Å; L1368-L1370 HydrophobicContact CD1-CD1 4.24Å; L1368-L1370 PolarHBondContact O-N 2.99Å | ||
| 1371 | D | 92.2 | Very high | 96 | Very high | 128 Ų | 128 | 29.1 Ų | 29.1 | 68% | 0.684 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -81.3 | -26.2 | 173.7 | -39 | -78.5 | 0 | 0 | 0 | 112.6 | ||
| 1372 | Y | 97.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 32 Ų | 32 | 11% | 0.114 | 17% | 0.168 | C | C | . | . | trans | -151.4 | 154 | 178 | 65.8 | -88.2 | 0 | 0 | 0 | 112 | R1338 E1339 L1365 D1374 G1420 L1421 R1423 | R1338-Y1372 HydrophobicContact CG-CD1 4.41Å; R1338-Y1372 HydrophobicContact CG-CE1 3.52Å; R1338-Y1372 VanDerWaalsContact NE-CZ 3.34Å; R1338-Y1372 PolarHBondContact NE-O 3.14Å; R1338-Y1372 PolarHBondContact NH2-O 2.81Å; E1339-Y1372 WeakPolarHBondContact CG-OH 3.38Å; E1339-Y1372 PolarHBondContact N-OH 3.04Å; E1339-Y1372 PolarHBondContact OE2-OH 3.19Å; L1365-Y1372 VanDerWaalsContact CD2-C 3.44Å; Y1372-D1374 WeakPolarHBondContact CE2-OD1 3.5Å; Y1372-G1420 WeakPolarHBondContact CB-O 3.34Å; Y1372-L1421 VanDerWaalsContact CA-O 3.32Å; Y1372-L1421 WeakPolarHBondContact CA-O 3.41Å; Y1372-R1423 VanDerWaalsContact CD2-CD 3.5Å; Y1372-R1423 HydrophobicContact CD2-CG 3.71Å; Y1372-R1423 HydrophobicContact CE2-CG 3.98Å | ||
| 1373 | V | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -100.9 | 161.2 | 165.1 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | V1343 T1345 L1361 L1365 L1368 F1376 L1421 T1422 R1423 | V1343-V1373 HydrophobicContact CG1-CB 4.45Å; V1343-V1373 HydrophobicContact CG1-CG1 4.11Å; T1345-V1373 HydrophobicContact CG2-CG1 3.93Å; T1345-V1373 HydrophobicContact CG2-CG2 4.3Å; L1361-V1373 HydrophobicContact CD1-CG1 4.35Å; L1361-V1373 HydrophobicContact CD1-CG2 3.82Å; L1365-V1373 HydrophobicContact CD2-CG1 3.73Å; L1368-V1373 HydrophobicContact CD1-CG1 3.87Å; V1373-F1376 HydrophobicContact CG2-CB 4.18Å; V1373-L1421 PolarHBondContact N-O 3.48Å; V1373-T1422 CarbonylContact O-C 3.56Å; V1373-T1422 VanDerWaalsContact O-CA 3.22Å; V1373-T1422 WeakPolarHBondContact O-CA 3.38Å; V1373-T1422 PolarHBondContact O-OG1 2.81Å; V1373-R1423 PolarHBondContact O-N 3.46Å |
| 1374 | D | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -90.6 | -26.1 | -174.7 | -58.6 | -66.3 | 0 | 0 | 0 | 111.9 | R1338 F1342 V1343 Y1372 R1423 S1424 | R1338-D1374 IonicContact CZ-OD1 2.79Å; R1338-D1374 IonicContact CZ-OD2 3.53Å; R1338-D1374 IonicContact NH1-OD1 3.76Å; R1338-D1374 IonicContact NH1-OD2 3.01Å; R1338-D1374 PolarHBondContact NH1-OD2 3.04Å; R1338-D1374 VanDerWaalsContact NH2-CG 3.33Å; R1338-D1374 IonicContact NH2-OD1 2.77Å; R1338-D1374 PolarHBondContact NH2-OD1 2.91Å; R1338-D1374 IonicContact NH2-OD2 3.24Å; R1338-D1374 PolarHBondContact NH2-OD2 3.42Å; F1342-D1374 HydrophobicContact CD1-CB 4.47Å; F1342-D1374 HydrophobicContact CD2-CB 4.03Å; F1342-D1374 HydrophobicContact CE2-CB 4.08Å; F1342-D1374 HydrophobicContact CG-CB 4.2Å; F1342-D1374 HydrophobicContact CZ-CB 4.29Å; V1343-D1374 PolarHBondContact N-OD2 2.88Å; V1343-D1374 PolarHBondContact O-N 3.48Å; Y1372-D1374 WeakPolarHBondContact CE2-OD1 3.5Å; D1374-R1423 IonicContact OD1-NH1 2.64Å; D1374-S1424 VanDerWaalsContact O-CB 3.31Å; D1374-S1424 WeakPolarHBondContact O-CB 3.4Å; D1374-S1424 PolarHBondContact O-N 2.72Å; D1374-S1424 VanDerWaalsContact O-N 3.1Å |
| 1375 | L | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 133.7 | 169.1 | 173.6 | 65.1 | 0 | 0 | 0 | 111 | M1281 F1342 V1343 T1344 T1345 L1377 S1424 N1448 | M1281-L1375 HydrophobicContact CE-CD2 3.87Å; M1281-L1375 HydrophobicContact SD-CD2 4.27Å; F1342-L1375 HydrophobicContact CD1-CB 4.27Å; F1342-L1375 HydrophobicContact CE1-CB 3.31Å; F1342-L1375 HydrophobicContact CE1-CD2 3.77Å; F1342-L1375 HydrophobicContact CE1-CG 4.17Å; F1342-L1375 HydrophobicContact CZ-CB 3.79Å; V1343-L1375 PolarHBondContact O-N 3.35Å; V1343-L1375 VanDerWaalsContact O-N 3.11Å; T1344-L1375 VanDerWaalsContact CA-O 3.3Å; T1344-L1375 WeakPolarHBondContact CA-O 3.24Å; T1344-L1375 HydrophobicContact CG2-CB 4.23Å; T1344-L1375 HydrophobicContact CG2-CD2 3.88Å; T1344-L1375 HydrophobicContact CG2-CG 4.01Å; T1345-L1375 PolarHBondContact N-O 3.28Å; T1345-L1375 VanDerWaalsContact N-O 3.08Å; L1375-L1377 HydrophobicContact CD1-CD2 3.82Å; L1375-L1377 HydrophobicContact CD2-CD1 4.43Å; L1375-L1377 HydrophobicContact CD2-CD2 3.92Å; L1375-L1377 HydrophobicContact CD2-CG 4.24Å; L1375-L1377 HydrophobicContact CG-CD2 3.83Å; L1375-L1377 HydrophobicContact CG-CG 4.05Å; L1375-S1424 WeakPolarHBondContact CA-O 3.29Å; L1375-N1448 HydrophobicContact CD1-CB 4.18Å; L1375-N1448 HydrophobicContact CD2-CB 3.73Å |
| 1376 | F | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.2 | 172 | -168.3 | -135.9 | 0 | 0 | 0 | 109.6 | T1345 L1347 V1357 L1361 V1373 M1413 V1416 T1422 S1424 I1425 G1426 | T1345-F1376 HydrophobicContact CG2-CD2 3.79Å; T1345-F1376 HydrophobicContact CG2-CE2 4.07Å; T1345-F1376 WeakPolarHBondContact O-CA 3.14Å; L1347-F1376 HydrophobicContact CB-CE1 4.28Å; L1347-F1376 HydrophobicContact CB-CE2 4.22Å; L1347-F1376 HydrophobicContact CB-CZ 3.75Å; L1347-F1376 HydrophobicContact CD1-CE1 4.28Å; L1347-F1376 HydrophobicContact CD1-CZ 3.84Å; L1347-F1376 HydrophobicContact CG-CZ 4.43Å; V1357-F1376 HydrophobicContact CG1-CE1 4.03Å; L1361-F1376 HydrophobicContact CB-CE1 4Å; L1361-F1376 HydrophobicContact CB-CE2 4.3Å; L1361-F1376 HydrophobicContact CB-CZ 3.84Å; L1361-F1376 HydrophobicContact CD1-CD2 3.86Å; L1361-F1376 HydrophobicContact CD1-CE2 3.94Å; L1361-F1376 HydrophobicContact CD1-CG 4.19Å; L1361-F1376 HydrophobicContact CD1-CZ 4.32Å; L1361-F1376 HydrophobicContact CD2-CD1 3.97Å; L1361-F1376 HydrophobicContact CD2-CE1 4.18Å; L1361-F1376 HydrophobicContact CD2-CG 4.24Å; L1361-F1376 HydrophobicContact CG-CE1 4.49Å; L1361-F1376 HydrophobicContact CG-CZ 4.48Å; V1373-F1376 HydrophobicContact CG2-CB 4.18Å; F1376-M1413 VanDerWaalsContact C-CE 3.49Å; F1376-M1413 HydrophobicContact CB-CE 4.05Å; F1376-M1413 HydrophobicContact CD1-CE 3.34Å; F1376-M1413 HydrophobicContact CD1-SD 3.52Å; F1376-M1413 VanDerWaalsContact CD1-SD 3.52Å; F1376-M1413 HydrophobicContact CE1-CE 3.99Å; F1376-M1413 HydrophobicContact CE1-SD 3.6Å; F1376-M1413 HydrophobicContact CG-CE 3.8Å; F1376-M1413 HydrophobicContact CG-SD 4.5Å; F1376-M1413 WeakPolarHBondContact O-CE 3.35Å; F1376-V1416 HydrophobicContact CD1-CG2 3.88Å; F1376-V1416 HydrophobicContact CE1-CG2 4.22Å; F1376-T1422 HydrophobicContact CB-CG2 3.91Å; F1376-T1422 PolarHBondContact N-OG1 3.15Å; F1376-S1424 PolarHBondContact N-O 3.15Å; F1376-I1425 VanDerWaalsContact O-CA 3.32Å; F1376-I1425 WeakPolarHBondContact O-CA 3.44Å; F1376-G1426 PolarHBondContact O-N 2.81Å |
| 1377 | L | 98.6 | Very high | 91 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.8 | -176.4 | -60.1 | 175.9 | 0 | 0 | 0 | 112.2 | T1344 T1345 K1346 L1347 L1375 H1379 G1426 Q1450 | T1344-L1377 HydrophobicContact CG2-CD1 3.69Å; T1344-L1377 HydrophobicContact CG2-CG 4.03Å; T1345-L1377 PolarHBondContact O-N 2.95Å; K1346-L1377 CarbonylContact C-O 3.57Å; K1346-L1377 WeakPolarHBondContact CA-O 3.39Å; K1346-L1377 HydrophobicContact CB-CB 4.23Å; K1346-L1377 WeakPolarHBondContact CB-O 3.29Å; K1346-L1377 HydrophobicContact CD-CB 4.47Å; K1346-L1377 HydrophobicContact CD-CD1 4.34Å; K1346-L1377 HydrophobicContact CG-CB 4.02Å; K1346-L1377 HydrophobicContact CG-CD1 4.34Å; L1347-L1377 PolarHBondContact N-O 3.43Å; L1375-L1377 HydrophobicContact CD1-CD2 3.82Å; L1375-L1377 HydrophobicContact CD2-CD1 4.43Å; L1375-L1377 HydrophobicContact CD2-CD2 3.92Å; L1375-L1377 HydrophobicContact CD2-CG 4.24Å; L1375-L1377 HydrophobicContact CG-CD2 3.83Å; L1375-L1377 HydrophobicContact CG-CG 4.05Å; L1377-H1379 PolarHBondContact O-N 3.46Å; L1377-G1426 WeakPolarHBondContact CA-O 3.46Å; L1377-G1426 VanDerWaalsContact CD2-CA 3.46Å; L1377-Q1450 HydrophobicContact CD1-CB 3.68Å; L1377-Q1450 HydrophobicContact CD1-CG 4.43Å |
| 1378 | V | 98 | Very high | 89.4 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 110.3 | 160.4 | -172.6 | 0 | 0 | 0 | 0 | 107.2 | T1380 T1409 W1410 M1413 G1426 L1427 S1428 F1430 | V1378-T1380 VanDerWaalsContact C-N 3.29Å; V1378-T1380 WeakPolarHBondContact CG1-O 3.31Å; V1378-T1380 PolarHBondContact O-N 2.98Å; V1378-T1409 HydrophobicContact CG1-CG2 4.28Å; V1378-T1409 HydrophobicContact CG2-CG2 4.26Å; V1378-W1410 HydrophobicContact CG2-CE3 4.26Å; V1378-W1410 HydrophobicContact CG2-CZ3 4.48Å; V1378-M1413 HydrophobicContact CG2-CE 3.94Å; V1378-M1413 HydrophobicContact CG2-CG 3.62Å; V1378-M1413 HydrophobicContact CG2-SD 3.8Å; V1378-G1426 PolarHBondContact N-O 2.89Å; V1378-G1426 VanDerWaalsContact N-O 3.1Å; V1378-L1427 HydrophobicContact CB-CD2 4.36Å; V1378-L1427 HydrophobicContact CG2-CD2 4.3Å; V1378-S1428 WeakPolarHBondContact O-CA 3.39Å; V1378-S1428 VanDerWaalsContact O-CB 3.28Å; V1378-S1428 WeakPolarHBondContact O-CB 3.48Å; V1378-S1428 PolarHBondContact O-N 2.96Å; V1378-F1430 HydrophobicContact CB-CE2 4.07Å; V1378-F1430 HydrophobicContact CB-CZ 4.41Å; V1378-F1430 HydrophobicContact CG1-CE2 3.89Å; V1378-F1430 HydrophobicContact CG1-CZ 4.08Å |
| 1379 | H | 94.4 | Very high | 87.5 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 9% | 0.088 | 22% | 0.215 | C | C | . | . | trans | -66.2 | -28.5 | -164.6 | -163.9 | 171.7 | 0 | 0 | 0 | 113.9 | Y1317 K1346 L1347 W1349 L1377 S1428 N1429 | Y1317-H1379 AromaticContact CE1-CE1 3.83Å; K1346-H1379 HydrophobicContact CB-CB 3.73Å; K1346-H1379 HydrophobicContact CD-CB 4.37Å; K1346-H1379 VanDerWaalsContact CD-CD2 3.44Å; K1346-H1379 WeakPolarHBondContact CD-CD2 3.12Å; L1347-H1379 WeakPolarHBondContact O-CB 3Å; W1349-H1379 AromaticContact NE1-ND1 3.96Å; L1377-H1379 PolarHBondContact O-N 3.46Å; H1379-S1428 CarbonylContact C-O 3.44Å; H1379-S1428 WeakPolarHBondContact O-CB 3.46Å; H1379-S1428 PolarHBondContact O-OG 3.5Å; H1379-N1429 PolarHBondContact O-ND2 3.3Å | ||
| 1380 | T | 88.9 | Confident | 86 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | trans | -155.5 | 153.7 | 176.4 | -174 | 0 | 0 | 0 | 0 | 108.7 | W1349 H1352 V1378 L1382 S1428 | W1349-T1380 HydrophobicContact CB-CG2 4.33Å; W1349-T1380 HydrophobicContact CD2-CG2 4.3Å; W1349-T1380 HydrophobicContact CG-CG2 3.72Å; H1352-T1380 PolarHBondContact CE1-O 2.88Å; V1378-T1380 VanDerWaalsContact C-N 3.29Å; V1378-T1380 WeakPolarHBondContact CG1-O 3.31Å; V1378-T1380 PolarHBondContact O-N 2.98Å; T1380-L1382 HydrophobicContact CG2-CB 4.14Å; T1380-L1382 VanDerWaalsContact CG2-O 3.24Å; T1380-L1382 WeakPolarHBondContact CG2-O 3.14Å; T1380-L1382 PolarHBondContact O-N 3.29Å; T1380-S1428 WeakPolarHBondContact CA-O 3.37Å; T1380-S1428 PolarHBondContact N-O 3.43Å | ||
| 1381 | P | 85.3 | Confident | 84.7 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -70.9 | -6.3 | 173.4 | 27 | -35.6 | 0 | 0 | 0 | 114.8 | N1429 F1430 | P1381-N1429 WeakPolarHBondContact CD-O 3.28Å; P1381-F1430 HydrophobicContact CB-CD1 4.29Å; P1381-F1430 HydrophobicContact CB-CD2 3.99Å; P1381-F1430 HydrophobicContact CB-CE1 4Å; P1381-F1430 HydrophobicContact CB-CE2 3.71Å; P1381-F1430 HydrophobicContact CB-CG 4.26Å; P1381-F1430 HydrophobicContact CB-CZ 3.7Å; P1381-F1430 HydrophobicContact CG-CD2 4.26Å; P1381-F1430 HydrophobicContact CG-CE2 4.36Å |
| 1382 | L | 82.3 | Confident | 83.5 | Confident | 62 Ų | 62 | 36.4 Ų | 36.4 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | trans | -93.6 | 121 | -179.2 | 178.1 | 65.2 | 0 | 0 | 0 | 112.3 | H1352 T1380 | H1352-L1382 PolarHBondContact CE1-O 3.04Å; H1352-L1382 VanDerWaalsContact CE1-O 3.3Å; T1380-L1382 HydrophobicContact CG2-CB 4.14Å; T1380-L1382 VanDerWaalsContact CG2-O 3.24Å; T1380-L1382 WeakPolarHBondContact CG2-O 3.14Å; T1380-L1382 PolarHBondContact O-N 3.29Å | ||
| 1383 | S | 82.5 | Confident | 82.3 | Confident | 7 Ų | 7 | 38 Ų | 38 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | trans | -81.8 | 146.3 | 167 | 31.2 | 0 | 0 | 0 | 0 | 111.9 | W1349 H1352 D1402 V1404 | W1349-S1383 WeakPolarHBondContact O-CA 3.41Å; H1352-S1383 WeakPolarHBondContact ND1-CA 3.4Å; H1352-S1383 WeakPolarHBondContact ND1-CB 3.27Å; S1383-D1402 VanDerWaalsContact CB-O 3.31Å; S1383-D1402 WeakPolarHBondContact CB-O 2.81Å; S1383-D1402 PolarHBondContact O-N 3.17Å; S1383-D1402 PolarHBondContact OG-O 2.77Å; S1383-V1404 PolarHBondContact OG-N 2.9Å; S1383-V1404 PolarHBondContact OG-O 3.21Å | ||
| 1384 | T | 83.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -131.2 | 164.7 | 174.6 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | W1349 H1350 L1392 I1400 D1402 | W1349-T1384 VanDerWaalsContact C-OG1 3.23Å; W1349-T1384 HydrophobicContact CB-CG2 3.94Å; W1349-T1384 VanDerWaalsContact CB-OG1 3.31Å; W1349-T1384 WeakPolarHBondContact CB-OG1 3.2Å; W1349-T1384 HydrophobicContact CE3-CG2 4.21Å; W1349-T1384 PolarHBondContact O-N 2.92Å; W1349-T1384 PolarHBondContact O-OG1 3.14Å; H1350-T1384 VanDerWaalsContact CA-O 3.3Å; H1350-T1384 WeakPolarHBondContact CA-O 3.23Å; H1350-T1384 PolarHBondContact N-OG1 3.13Å; T1384-L1392 WeakPolarHBondContact OG1-CD1 3.22Å; T1384-I1400 CarbonylContact C-O 3.44Å; T1384-I1400 WeakPolarHBondContact CA-O 3.05Å; T1384-I1400 WeakPolarHBondContact CB-O 2.9Å; T1384-D1402 WeakPolarHBondContact O-CB 3.03Å |
| 1385 | K | 79.5 | Confident | 78.7 | Confident | 82 Ų | 82 | 46 Ų | 46 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 149.5 | 176.8 | -66.5 | -172.6 | 179.6 | -178.9 | 0 | 112.4 | H1350 E1393 I1400 D1402 | H1350-K1385 VanDerWaalsContact CB-O 3.28Å; H1350-K1385 WeakPolarHBondContact CB-O 3.38Å; K1385-E1393 HydrophobicContact CB-CB 4.05Å; K1385-E1393 WeakPolarHBondContact CB-OE2 3.43Å; K1385-E1393 WeakPolarHBondContact CD-OE2 3.46Å; K1385-E1393 PolarHBondContact O-N 2.86Å; K1385-E1393 VanDerWaalsContact O-N 3.11Å; K1385-I1400 HydrophobicContact CB-CB 4.39Å; K1385-I1400 HydrophobicContact CD-CB 4.27Å; K1385-I1400 HydrophobicContact CD-CD1 4.43Å; K1385-I1400 HydrophobicContact CD-CG2 4.05Å; K1385-I1400 HydrophobicContact CG-CB 4.34Å; K1385-I1400 HydrophobicContact CG-CG2 4.38Å; K1385-I1400 PolarHBondContact N-O 3.49Å; K1385-D1402 HydrophobicContact CG-CB 3.97Å |
| 1386 | A | 77.2 | Confident | 76.6 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -100.7 | 135.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | H1350 | H1350-A1386 HydrophobicContact CB-CB 4.05Å |
| 1387 | S | 70.8 | Confident | 74.5 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 161.4 | 162.7 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | G1389 G1390 R1391 | S1387-G1389 PolarHBondContact O-N 3.12Å; S1387-G1390 WeakPolarHBondContact O-CA 3.36Å; S1387-G1390 PolarHBondContact O-N 3.09Å; S1387-R1391 PolarHBondContact N-O 3.39Å; S1387-R1391 PolarHBondContact OG-N 3.32Å; S1387-R1391 PolarHBondContact OG-O 3.45Å |
| 1388 | D | 62.9 | Low | 72.5 | Confident | 180 Ų | 180 | 60.2 Ų | 60.2 | 96% | 0.963 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -29.1 | -178.4 | -58.2 | -35.3 | 0 | 0 | 0 | 114 | G1390 | D1388-G1390 PolarHBondContact O-N 3.17Š|
| 1389 | G | 57.4 | Low | 70.9 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 66% | 0.66 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 5.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1387 R1391 | S1387-G1389 PolarHBondContact O-N 3.12Å; G1389-R1391 PolarHBondContact O-N 3.23Å |
| 1390 | G | 64.6 | Low | 69.7 | Low | 4 Ų | 4 | 61.6 Ų | 61.6 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 72.3 | 9.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1350 Y1351 S1387 D1388 | H1350-G1390 PolarHBondContact CD2-O 3.32Å; H1350-G1390 PolarHBondContact NE2-O 3.08Å; Y1351-G1390 VanDerWaalsContact CE2-O 3.26Å; Y1351-G1390 WeakPolarHBondContact CE2-O 3.41Å; Y1351-G1390 PolarHBondContact OH-O 3.32Å; S1387-G1390 WeakPolarHBondContact O-CA 3.36Å; S1387-G1390 PolarHBondContact O-N 3.09Å; D1388-G1390 PolarHBondContact O-N 3.17Å |
| 1391 | R | 68.8 | Low | 68.7 | Low | 162 Ų | 162 | 64.3 Ų | 64.3 | 61% | 0.611 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -94 | 152.4 | 177.1 | -52.2 | -168.7 | 79.9 | -178.9 | 4.3 | 110.4 | E1318 S1387 G1389 E1393 | E1318-R1391 IonicContact OE1-NH2 2.87Å; E1318-R1391 PolarHBondContact OE1-NH2 3.11Å; S1387-R1391 PolarHBondContact N-O 3.39Å; S1387-R1391 PolarHBondContact OG-N 3.32Å; S1387-R1391 PolarHBondContact OG-O 3.45Å; G1389-R1391 PolarHBondContact O-N 3.23Å; R1391-E1393 PolarHBondContact O-N 3.39Å |
| 1392 | L | 68.2 | Low | 68.3 | Low | 45 Ų | 45 | 64.6 Ų | 64.6 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -49.1 | 122.1 | 173.8 | -175.3 | 58.1 | 0 | 0 | 0 | 110.9 | H1350 T1384 L1394 | H1350-L1392 HydrophobicContact CB-CD1 3.96Å; H1350-L1392 PolarHBondContact CD2-N 3.05Å; H1350-L1392 PolarHBondContact NE2-N 3.08Å; T1384-L1392 WeakPolarHBondContact OG1-CD1 3.22Å; L1392-L1394 HydrophobicContact CD2-CD2 3.89Å; L1392-L1394 HydrophobicContact CG-CD2 3.87Å; L1392-L1394 HydrophobicContact CG-CG 4.43Å; L1392-L1394 PolarHBondContact O-N 3.43Å |
| 1393 | E | 72.8 | Confident | 68.2 | Low | 64 Ų | 64 | 69.4 Ų | 69.4 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 116.7 | 178.6 | -164.7 | -178.1 | 179.8 | 0 | 0 | 109.7 | K1385 R1391 S1399 I1400 | K1385-E1393 HydrophobicContact CB-CB 4.05Å; K1385-E1393 WeakPolarHBondContact CB-OE2 3.43Å; K1385-E1393 WeakPolarHBondContact CD-OE2 3.46Å; K1385-E1393 PolarHBondContact O-N 2.86Å; K1385-E1393 VanDerWaalsContact O-N 3.11Å; R1391-E1393 PolarHBondContact O-N 3.39Å; E1393-S1399 VanDerWaalsContact O-CA 3.32Å; E1393-S1399 WeakPolarHBondContact O-CA 3.1Å; E1393-I1400 VanDerWaalsContact CD-CD1 3.45Å; E1393-I1400 HydrophobicContact CG-CD1 3.85Å; E1393-I1400 HydrophobicContact CG-CG1 4.38Å; E1393-I1400 PolarHBondContact O-N 2.92Å; E1393-I1400 WeakPolarHBondContact OE1-CD1 3.27Å |
| 1394 | L | 64.5 | Low | 68.2 | Low | 89 Ų | 89 | 69.8 Ų | 69.8 | 47% | 0.466 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.1 | -178.2 | -60.7 | 179.8 | 0 | 0 | 0 | 111.1 | L1392 L1398 | L1392-L1394 HydrophobicContact CD2-CD2 3.89Å; L1392-L1394 HydrophobicContact CG-CD2 3.87Å; L1392-L1394 HydrophobicContact CG-CG 4.43Å; L1392-L1394 PolarHBondContact O-N 3.43Å; L1394-L1398 CarbonylContact C-O 3.48Å; L1394-L1398 WeakPolarHBondContact CA-O 3.33Å |
| 1395 | V | 55.4 | Low | 68.1 | Low | 77 Ų | 77 | 72.8 Ų | 72.8 | 47% | 0.467 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 120.6 | 168.7 | 172.8 | 0 | 0 | 0 | 0 | 107.4 | D1397 L1398 I1400 | V1395-D1397 VanDerWaalsContact C-N 3.29Å; V1395-D1397 PolarHBondContact O-N 3.37Å; V1395-L1398 PolarHBondContact N-O 3.11Å; V1395-L1398 WeakPolarHBondContact O-CA 3.3Å; V1395-L1398 VanDerWaalsContact O-CB 3.27Å; V1395-L1398 WeakPolarHBondContact O-CB 3.41Å; V1395-L1398 PolarHBondContact O-N 3.1Å; V1395-I1400 HydrophobicContact CG2-CD1 3.67Å; V1395-I1400 HydrophobicContact CG2-CG1 3.94Å |
| 1396 | N | 54.3 | Low | 68.3 | Low | 141 Ų | 141 | 70 Ų | 70 | 75% | 0.754 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 44.2 | -173.4 | -54.3 | -30.5 | 0 | 0 | 0 | 113 | L1398 | N1396-L1398 PolarHBondContact O-N 2.82Å; N1396-L1398 VanDerWaalsContact O-N 3.17Å |
| 1397 | D | 55.3 | Low | 69 | Low | 129 Ų | 129 | 68.8 Ų | 68.8 | 69% | 0.69 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 9.7 | -171.6 | -60.2 | -47.3 | 0 | 0 | 0 | 115.7 | V1395 | V1395-D1397 VanDerWaalsContact C-N 3.29Å; V1395-D1397 PolarHBondContact O-N 3.37Å |
| 1398 | L | 56.7 | Low | 69.9 | Low | 30 Ų | 30 | 70.1 Ų | 70.1 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.9 | -179.5 | -58.2 | 173.9 | 0 | 0 | 0 | 112.3 | L1394 V1395 N1396 I1400 I1492 W1579 L1582 C1586 | L1394-L1398 CarbonylContact C-O 3.48Å; L1394-L1398 WeakPolarHBondContact CA-O 3.33Å; V1395-L1398 PolarHBondContact N-O 3.11Å; V1395-L1398 WeakPolarHBondContact O-CA 3.3Å; V1395-L1398 VanDerWaalsContact O-CB 3.27Å; V1395-L1398 WeakPolarHBondContact O-CB 3.41Å; V1395-L1398 PolarHBondContact O-N 3.1Å; N1396-L1398 PolarHBondContact O-N 2.82Å; N1396-L1398 VanDerWaalsContact O-N 3.17Å; L1398-I1400 PolarHBondContact O-N 2.97Å; L1398-I1492 HydrophobicContact CD2-CD1 3.96Å; L1398-W1579 HydrophobicContact CB-CH2 4.25Å; L1398-W1579 HydrophobicContact CB-CZ3 3.7Å; L1398-W1579 HydrophobicContact CD2-CE3 4.3Å; L1398-W1579 HydrophobicContact CD2-CH2 3.67Å; L1398-W1579 HydrophobicContact CD2-CZ2 4.47Å; L1398-W1579 HydrophobicContact CD2-CZ3 3.55Å; L1398-W1579 HydrophobicContact CG-CZ3 4.23Å; L1398-L1582 HydrophobicContact CD1-CD2 3.54Å; L1398-L1582 HydrophobicContact CD1-CG 4.4Å; L1398-L1582 HydrophobicContact CD2-CD2 3.45Å; L1398-L1582 VanDerWaalsContact CD2-CD2 3.45Å; L1398-L1582 HydrophobicContact CG-CD2 4.13Å; L1398-C1586 WeakPolarHBondContact CD1-SG 3.47Å |
| 1399 | S | 64.3 | Low | 71.4 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 121.6 | 172.3 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | E1393 P1401 W1579 | E1393-S1399 VanDerWaalsContact O-CA 3.32Å; E1393-S1399 WeakPolarHBondContact O-CA 3.1Å; S1399-P1401 WeakPolarHBondContact O-CD 3.19Å; S1399-W1579 VanDerWaalsContact OG-CZ3 3.22Å; S1399-W1579 WeakPolarHBondContact OG-CZ3 3.37Å |
| 1400 | I | 69.1 | Low | 73.3 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 127.2 | 176.6 | -44.5 | -176.8 | 0 | 0 | 0 | 109.2 | T1384 K1385 E1393 V1395 L1398 | T1384-I1400 CarbonylContact C-O 3.44Å; T1384-I1400 WeakPolarHBondContact CA-O 3.05Å; T1384-I1400 WeakPolarHBondContact CB-O 2.9Å; K1385-I1400 HydrophobicContact CB-CB 4.39Å; K1385-I1400 HydrophobicContact CD-CB 4.27Å; K1385-I1400 HydrophobicContact CD-CD1 4.43Å; K1385-I1400 HydrophobicContact CD-CG2 4.05Å; K1385-I1400 HydrophobicContact CG-CB 4.34Å; K1385-I1400 HydrophobicContact CG-CG2 4.38Å; K1385-I1400 PolarHBondContact N-O 3.49Å; E1393-I1400 VanDerWaalsContact CD-CD1 3.45Å; E1393-I1400 HydrophobicContact CG-CD1 3.85Å; E1393-I1400 HydrophobicContact CG-CG1 4.38Å; E1393-I1400 PolarHBondContact O-N 2.92Å; E1393-I1400 WeakPolarHBondContact OE1-CD1 3.27Å; V1395-I1400 HydrophobicContact CG2-CD1 3.67Å; V1395-I1400 HydrophobicContact CG2-CG1 3.94Å; L1398-I1400 PolarHBondContact O-N 2.97Å |
| 1401 | P | 67.4 | Low | 74.6 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 40% | 0.403 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -60 | 146.9 | 171.1 | -24.5 | 35.4 | 0 | 0 | 0 | 112.7 | S1399 V1583 | S1399-P1401 WeakPolarHBondContact O-CD 3.19Å; P1401-V1583 HydrophobicContact CG-CG2 4.2Å |
| 1402 | D | 77.3 | Confident | 75.8 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | trans | -122.8 | 148.4 | 172.1 | -174.9 | 38.6 | 0 | 0 | 0 | 109.5 | R1353 S1383 T1384 K1385 V1404 | R1353-D1402 IonicContact CZ-OD1 2.72Å; R1353-D1402 IonicContact CZ-OD2 3.5Å; R1353-D1402 IonicContact NE-OD2 2.73Å; R1353-D1402 PolarHBondContact NE-OD2 2.69Å; R1353-D1402 IonicContact NH2-OD1 3.32Å; R1353-D1402 PolarHBondContact NH2-OD1 2.81Å; R1353-D1402 IonicContact NH2-OD2 3.45Å; R1353-D1402 PolarHBondContact NH2-OD2 2.88Å; S1383-D1402 VanDerWaalsContact CB-O 3.31Å; S1383-D1402 WeakPolarHBondContact CB-O 2.81Å; S1383-D1402 PolarHBondContact O-N 3.17Å; S1383-D1402 PolarHBondContact OG-O 2.77Å; T1384-D1402 WeakPolarHBondContact O-CB 3.03Å; K1385-D1402 HydrophobicContact CG-CB 3.97Å; D1402-V1404 PolarHBondContact O-N 3.02Å; D1402-V1404 WeakPolarHBondContact OD2-CG2 3.33Å | ||
| 1403 | N | 79.5 | Confident | 77.3 | Confident | 163 Ų | 163 | 53.4 Ų | 53.4 | 87% | 0.872 | 28% | 0.279 | S | S | * | . | trans | -96.2 | 63.7 | -170.5 | -169.1 | 23.7 | 0 | 0 | 0 | 112.1 | ||||
| 1404 | V | 82.1 | Confident | 78.4 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | trans | -102.1 | 126.6 | 177.8 | -166.5 | 0 | 0 | 0 | 0 | 110.3 | H1352 R1353 S1383 D1402 H1406 | H1352-V1404 HydrophobicContact CB-CB 4.07Å; H1352-V1404 HydrophobicContact CB-CG1 4.18Å; H1352-V1404 HydrophobicContact CB-CG2 4.2Å; R1353-V1404 HydrophobicContact CG-CG1 4.34Å; R1353-V1404 HydrophobicContact CG-CG2 3.58Å; S1383-V1404 PolarHBondContact OG-N 2.9Å; S1383-V1404 PolarHBondContact OG-O 3.21Å; D1402-V1404 PolarHBondContact O-N 3.02Å; D1402-V1404 WeakPolarHBondContact OD2-CG2 3.33Å; V1404-H1406 PolarHBondContact O-N 3.44Å | ||
| 1405 | D | 81.8 | Confident | 79.8 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 34% | 0.342 | 26% | 0.258 | S | S | . | . | trans | -68.6 | 121.3 | 173 | -171.3 | -19.3 | 0 | 0 | 0 | 110.2 | L1407 E1408 T1409 R1437 | D1405-L1407 PolarHBondContact O-N 2.75Å; D1405-L1407 WeakPolarHBondContact OD1-CB 3.36Å; D1405-L1407 PolarHBondContact OD1-N 2.88Å; D1405-E1408 WeakPolarHBondContact O-CA 3.2Å; D1405-E1408 WeakPolarHBondContact O-CB 3.33Å; D1405-E1408 PolarHBondContact O-N 3.15Å; D1405-T1409 PolarHBondContact O-N 3.46Å; D1405-T1409 PolarHBondContact O-OG1 2.95Å; D1405-R1437 IonicContact OD1-CZ 2.74Å; D1405-R1437 IonicContact OD1-NH1 2.58Å; D1405-R1437 PolarHBondContact OD1-NH1 3Å; D1405-R1437 IonicContact OD1-NH2 3.82Å; D1405-R1437 PolarHBondContact OD1-NH2 3.21Å; D1405-R1437 IonicContact OD2-CZ 2.8Å; D1405-R1437 IonicContact OD2-NH1 2.8Å; D1405-R1437 IonicContact OD2-NH2 3.37Å; D1405-R1437 PolarHBondContact OD2-NH2 3.47Å | ||
| 1406 | H | 85 | Confident | 81.8 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 11% | 0.111 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -12 | 175.3 | 58.9 | -112.3 | 0 | 0 | 0 | 114.4 | V1404 W1410 F1430 R1437 | V1404-H1406 PolarHBondContact O-N 3.44Å; H1406-W1410 VanDerWaalsContact O-CB 3.26Å; H1406-W1410 WeakPolarHBondContact O-CB 3.45Å; H1406-W1410 PolarHBondContact O-N 2.81Å; H1406-F1430 HydrophobicContact CB-CE1 4.27Å; H1406-F1430 HydrophobicContact CB-CZ 4.08Å; H1406-F1430 AromaticContact CD2-CE1 3.98Å; H1406-F1430 AromaticContact CG-CE1 3.99Å; H1406-R1437 PolarHBondContact CD2-NH1 2.77Å; H1406-R1437 PolarHBondContact CE1-NH1 2.82Å; H1406-R1437 VanDerWaalsContact CE1-NH1 3.31Å; H1406-R1437 PolarHBondContact NE2-NH1 2.8Å |
| 1407 | L | 90 | Very high | 83.8 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.2 | -29.8 | 167.2 | -66.1 | -176.9 | 0 | 0 | 0 | 113.4 | D1405 R1411 R1437 V1438 N1441 | D1405-L1407 PolarHBondContact O-N 2.75Å; D1405-L1407 WeakPolarHBondContact OD1-CB 3.36Å; D1405-L1407 PolarHBondContact OD1-N 2.88Å; L1407-R1411 WeakPolarHBondContact O-CD 3.25Å; L1407-R1411 WeakPolarHBondContact O-CG 3.41Å; L1407-R1411 PolarHBondContact O-N 3.13Å; L1407-R1411 VanDerWaalsContact O-N 3.11Å; L1407-R1437 HydrophobicContact CD1-CG 4.19Å; L1407-R1437 HydrophobicContact CD2-CG 4.41Å; L1407-R1437 HydrophobicContact CG-CG 4.47Å; L1407-V1438 HydrophobicContact CD2-CG2 4.2Å; L1407-N1441 HydrophobicContact CD1-CB 3.86Å; L1407-N1441 HydrophobicContact CD2-CB 3.74Å; L1407-N1441 HydrophobicContact CG-CB 4.41Å |
| 1408 | E | 89.5 | Confident | 85.4 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68 | -48.5 | 167.2 | -167.5 | -159.6 | 127.9 | 0 | 0 | 109.6 | R1354 D1405 W1410 R1411 A1412 | R1354-E1408 HydrophobicContact CB-CG 4.17Å; R1354-E1408 VanDerWaalsContact CB-OE1 3.24Å; R1354-E1408 WeakPolarHBondContact CB-OE1 3.24Å; R1354-E1408 PolarHBondContact N-OE1 3.15Å; D1405-E1408 WeakPolarHBondContact O-CA 3.2Å; D1405-E1408 WeakPolarHBondContact O-CB 3.33Å; D1405-E1408 PolarHBondContact O-N 3.15Å; E1408-W1410 VanDerWaalsContact C-N 3.28Å; E1408-W1410 PolarHBondContact O-N 2.72Å; E1408-R1411 PolarHBondContact O-N 2.95Å; E1408-R1411 VanDerWaalsContact O-N 3.16Å; E1408-A1412 PolarHBondContact O-N 2.81Å |
| 1409 | T | 94.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.9 | -45.1 | 172.9 | -45.3 | 0 | 0 | 0 | 0 | 110.9 | L1347 H1352 V1357 V1378 D1405 R1411 A1412 M1413 | L1347-T1409 HydrophobicContact CD2-CG2 3.38Å; H1352-T1409 HydrophobicContact CB-CG2 4.36Å; H1352-T1409 WeakPolarHBondContact O-CB 3.13Å; H1352-T1409 WeakPolarHBondContact O-CG2 3.3Å; H1352-T1409 PolarHBondContact O-OG1 2.78Å; V1357-T1409 HydrophobicContact CG2-CG2 4.01Å; V1378-T1409 HydrophobicContact CG1-CG2 4.28Å; V1378-T1409 HydrophobicContact CG2-CG2 4.26Å; D1405-T1409 PolarHBondContact O-N 3.46Å; D1405-T1409 PolarHBondContact O-OG1 2.95Å; T1409-R1411 PolarHBondContact O-N 2.83Å; T1409-A1412 CarbonylContact O-C 3.56Å; T1409-A1412 WeakPolarHBondContact O-CA 3.48Å; T1409-A1412 VanDerWaalsContact O-CB 3.3Å; T1409-A1412 WeakPolarHBondContact O-CB 3.4Å; T1409-A1412 PolarHBondContact O-N 3.1Å; T1409-A1412 VanDerWaalsContact O-N 3.09Å; T1409-M1413 WeakPolarHBondContact O-CG 3.4Å; T1409-M1413 PolarHBondContact O-N 3.37Å |
| 1410 | W | 97.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 178.6 | -170.3 | -99.1 | 0 | 0 | 0 | 113.4 | V1378 H1406 E1408 A1412 M1413 E1414 I1425 G1426 L1427 V1438 V1444 P1446 | V1378-W1410 HydrophobicContact CG2-CE3 4.26Å; V1378-W1410 HydrophobicContact CG2-CZ3 4.48Å; H1406-W1410 VanDerWaalsContact O-CB 3.26Å; H1406-W1410 WeakPolarHBondContact O-CB 3.45Å; H1406-W1410 PolarHBondContact O-N 2.81Å; E1408-W1410 VanDerWaalsContact C-N 3.28Å; E1408-W1410 PolarHBondContact O-N 2.72Å; W1410-A1412 PolarHBondContact O-N 2.79Å; W1410-M1413 HydrophobicContact CE3-CB 4.21Å; W1410-M1413 HydrophobicContact CE3-CG 4.14Å; W1410-M1413 HydrophobicContact CZ3-CB 4.47Å; W1410-M1413 HydrophobicContact CZ3-CG 4.48Å; W1410-M1413 WeakPolarHBondContact O-CA 3.4Å; W1410-M1413 WeakPolarHBondContact O-CB 3.47Å; W1410-M1413 PolarHBondContact O-N 2.92Å; W1410-E1414 VanDerWaalsContact CD1-OE1 3.31Å; W1410-E1414 PolarHBondContact NE1-OE1 2.91Å; W1410-E1414 PolarHBondContact O-N 2.86Å; W1410-I1425 HydrophobicContact CH2-CB 4Å; W1410-I1425 HydrophobicContact CH2-CD1 3.86Å; W1410-I1425 HydrophobicContact CH2-CG1 3.69Å; W1410-I1425 HydrophobicContact CZ2-CD1 3.52Å; W1410-I1425 HydrophobicContact CZ2-CG1 3.75Å; W1410-G1426 WeakPolarHBondContact CZ3-O 3.29Å; W1410-L1427 HydrophobicContact CE3-CD2 3.66Å; W1410-L1427 HydrophobicContact CE3-CG 4.45Å; W1410-L1427 HydrophobicContact CZ3-CD2 3.55Å; W1410-L1427 HydrophobicContact CZ3-CG 3.93Å; W1410-V1438 HydrophobicContact CD2-CG1 3.56Å; W1410-V1438 HydrophobicContact CE3-CG1 4.09Å; W1410-V1438 HydrophobicContact CG-CG1 3.73Å; W1410-V1438 HydrophobicContact CZ2-CG1 4.3Å; W1410-V1444 WeakPolarHBondContact CZ2-O 3.45Å; W1410-V1444 PolarHBondContact NE1-O 2.89Å; W1410-P1446 HydrophobicContact CH2-CB 3.91Å; W1410-P1446 HydrophobicContact CH2-CG 3.81Å; W1410-P1446 HydrophobicContact CZ2-CB 4.3Å; W1410-P1446 HydrophobicContact CZ2-CG 3.85Å; W1410-P1446 HydrophobicContact CZ3-CG 4.46Å |
| 1411 | R | 92.9 | Very high | 89.7 | Confident | 100 Ų | 100 | 43.1 Ų | 43.1 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -31.1 | 173.2 | -67.2 | 160.4 | -169.2 | 141.5 | 1.9 | 111.8 | R1354 L1407 E1408 T1409 E1414 D1415 | R1354-R1411 PolarHBondContact NH2-O 3.08Å; L1407-R1411 WeakPolarHBondContact O-CD 3.25Å; L1407-R1411 WeakPolarHBondContact O-CG 3.41Å; L1407-R1411 PolarHBondContact O-N 3.13Å; L1407-R1411 VanDerWaalsContact O-N 3.11Å; E1408-R1411 PolarHBondContact O-N 2.95Å; E1408-R1411 VanDerWaalsContact O-N 3.16Å; T1409-R1411 PolarHBondContact O-N 2.83Å; R1411-E1414 PolarHBondContact O-N 2.94Å; R1411-D1415 PolarHBondContact O-N 2.75Å |
| 1412 | A | 94.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.6 | -32.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1354 V1357 E1408 T1409 W1410 E1414 D1415 V1416 | R1354-A1412 HydrophobicContact CB-CB 4.13Å; R1354-A1412 HydrophobicContact CG-CB 3.76Å; V1357-A1412 HydrophobicContact CB-CB 3.6Å; V1357-A1412 HydrophobicContact CG1-CB 3.8Å; V1357-A1412 HydrophobicContact CG2-CB 3.67Å; E1408-A1412 PolarHBondContact O-N 2.81Å; T1409-A1412 CarbonylContact O-C 3.56Å; T1409-A1412 WeakPolarHBondContact O-CA 3.48Å; T1409-A1412 VanDerWaalsContact O-CB 3.3Å; T1409-A1412 WeakPolarHBondContact O-CB 3.4Å; T1409-A1412 PolarHBondContact O-N 3.1Å; T1409-A1412 VanDerWaalsContact O-N 3.09Å; W1410-A1412 PolarHBondContact O-N 2.79Å; A1412-E1414 VanDerWaalsContact C-N 3.33Å; A1412-D1415 WeakPolarHBondContact O-CB 2.98Å; A1412-D1415 PolarHBondContact O-N 2.74Å; A1412-V1416 PolarHBondContact O-N 2.95Å |
| 1413 | M | 98 | Very high | 92 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 167.5 | -59.5 | -66.4 | -73.3 | 0 | 0 | 110.4 | L1347 V1357 F1376 V1378 T1409 W1410 V1416 L1417 I1425 | L1347-M1413 HydrophobicContact CD2-SD 4.4Å; V1357-M1413 HydrophobicContact CG1-SD 3.93Å; F1376-M1413 VanDerWaalsContact C-CE 3.49Å; F1376-M1413 HydrophobicContact CB-CE 4.05Å; F1376-M1413 HydrophobicContact CD1-CE 3.34Å; F1376-M1413 HydrophobicContact CD1-SD 3.52Å; F1376-M1413 VanDerWaalsContact CD1-SD 3.52Å; F1376-M1413 HydrophobicContact CE1-CE 3.99Å; F1376-M1413 HydrophobicContact CE1-SD 3.6Å; F1376-M1413 HydrophobicContact CG-CE 3.8Å; F1376-M1413 HydrophobicContact CG-SD 4.5Å; F1376-M1413 WeakPolarHBondContact O-CE 3.35Å; V1378-M1413 HydrophobicContact CG2-CE 3.94Å; V1378-M1413 HydrophobicContact CG2-CG 3.62Å; V1378-M1413 HydrophobicContact CG2-SD 3.8Å; T1409-M1413 WeakPolarHBondContact O-CG 3.4Å; T1409-M1413 PolarHBondContact O-N 3.37Å; W1410-M1413 HydrophobicContact CE3-CB 4.21Å; W1410-M1413 HydrophobicContact CE3-CG 4.14Å; W1410-M1413 HydrophobicContact CZ3-CB 4.47Å; W1410-M1413 HydrophobicContact CZ3-CG 4.48Å; W1410-M1413 WeakPolarHBondContact O-CA 3.4Å; W1410-M1413 WeakPolarHBondContact O-CB 3.47Å; W1410-M1413 PolarHBondContact O-N 2.92Å; M1413-V1416 VanDerWaalsContact O-CG2 3.28Å; M1413-V1416 WeakPolarHBondContact O-CG2 3.45Å; M1413-V1416 PolarHBondContact O-N 2.82Å; M1413-L1417 WeakPolarHBondContact O-CB 3.4Å; M1413-L1417 PolarHBondContact O-N 3.31Å; M1413-I1425 HydrophobicContact CB-CB 4.25Å; M1413-I1425 HydrophobicContact CB-CD1 3.99Å; M1413-I1425 HydrophobicContact CB-CG2 4.06Å; M1413-I1425 HydrophobicContact CE-CB 4.36Å; M1413-I1425 HydrophobicContact CE-CG2 4.19Å; M1413-I1425 WeakPolarHBondContact O-CG2 3.18Å |
| 1414 | E | 97.1 | Very high | 92.9 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 173.8 | -69.1 | -179.2 | 175.7 | 0 | 0 | 112.1 | W1410 R1411 A1412 L1417 S1418 I1425 C1442 T1443 V1444 | W1410-E1414 VanDerWaalsContact CD1-OE1 3.31Å; W1410-E1414 PolarHBondContact NE1-OE1 2.91Å; W1410-E1414 PolarHBondContact O-N 2.86Å; R1411-E1414 PolarHBondContact O-N 2.94Å; A1412-E1414 VanDerWaalsContact C-N 3.33Å; E1414-L1417 PolarHBondContact O-N 2.73Å; E1414-S1418 WeakPolarHBondContact O-CB 3.31Å; E1414-S1418 PolarHBondContact O-N 2.85Å; E1414-I1425 HydrophobicContact CB-CD1 4.44Å; E1414-I1425 HydrophobicContact CG-CD1 3.71Å; E1414-C1442 WeakPolarHBondContact OE1-CA 3.33Å; E1414-C1442 WeakPolarHBondContact OE1-CB 3.39Å; E1414-T1443 PolarHBondContact OE1-N 2.83Å; E1414-T1443 WeakPolarHBondContact OE2-CB 3.36Å; E1414-T1443 PolarHBondContact OE2-N 3.28Å; E1414-T1443 PolarHBondContact OE2-OG1 3.04Å; E1414-V1444 HydrophobicContact CG-CB 4.22Å; E1414-V1444 HydrophobicContact CG-CG2 4.36Å; E1414-V1444 PolarHBondContact OE1-N 2.79Å |
| 1415 | D | 94.4 | Very high | 93.7 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -50.5 | 172.5 | -69.1 | -20.4 | 0 | 0 | 0 | 111.7 | R1354 R1411 A1412 L1417 S1418 K1419 | R1354-D1415 IonicContact CZ-OD1 3.88Å; R1354-D1415 IonicContact CZ-OD2 3.4Å; R1354-D1415 IonicContact NE-OD2 2.78Å; R1354-D1415 PolarHBondContact NE-OD2 2.88Å; R1354-D1415 IonicContact NH2-OD1 2.66Å; R1354-D1415 PolarHBondContact NH2-OD1 3.21Å; R1354-D1415 IonicContact NH2-OD2 3.52Å; R1354-D1415 PolarHBondContact NH2-OD2 2.77Å; R1411-D1415 PolarHBondContact O-N 2.75Å; A1412-D1415 WeakPolarHBondContact O-CB 2.98Å; A1412-D1415 PolarHBondContact O-N 2.74Å; D1415-L1417 VanDerWaalsContact C-N 3.33Å; D1415-L1417 PolarHBondContact O-N 3.08Å; D1415-S1418 PolarHBondContact O-N 3.14Å; D1415-S1418 VanDerWaalsContact O-N 3.12Å; D1415-S1418 PolarHBondContact O-OG 2.87Å; D1415-K1419 VanDerWaalsContact O-CG 3.3Å; D1415-K1419 WeakPolarHBondContact O-CG 3.33Å; D1415-K1419 PolarHBondContact O-N 3.01Å |
| 1416 | V | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.5 | -27 | -176.7 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | V1357 E1358 L1361 F1376 A1412 M1413 G1420 L1421 T1422 | V1357-V1416 HydrophobicContact CG1-CG1 4.44Å; E1358-V1416 HydrophobicContact CB-CG1 3.83Å; E1358-V1416 HydrophobicContact CG-CG1 4.13Å; L1361-V1416 HydrophobicContact CD2-CB 3.83Å; L1361-V1416 HydrophobicContact CD2-CG1 4.37Å; L1361-V1416 HydrophobicContact CD2-CG2 3.85Å; F1376-V1416 HydrophobicContact CD1-CG2 3.88Å; F1376-V1416 HydrophobicContact CE1-CG2 4.22Å; A1412-V1416 PolarHBondContact O-N 2.95Å; M1413-V1416 VanDerWaalsContact O-CG2 3.28Å; M1413-V1416 WeakPolarHBondContact O-CG2 3.45Å; M1413-V1416 PolarHBondContact O-N 2.82Å; V1416-G1420 PolarHBondContact O-N 2.98Å; V1416-L1421 HydrophobicContact CB-CB 4.46Å; V1416-L1421 HydrophobicContact CB-CD1 4.39Å; V1416-L1421 HydrophobicContact CG1-CD1 4.32Å; V1416-L1421 PolarHBondContact O-N 3.32Å; V1416-T1422 HydrophobicContact CG2-CG2 4.16Å |
| 1417 | L | 96.2 | Very high | 95.1 | Very high | 34 Ų | 34 | 29 Ų | 29 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 166 | -177.4 | 75.6 | 0 | 0 | 0 | 110.8 | M1413 E1414 D1415 K1419 G1420 T1422 R1423 I1425 V1444 | M1413-L1417 WeakPolarHBondContact O-CB 3.4Å; M1413-L1417 PolarHBondContact O-N 3.31Å; E1414-L1417 PolarHBondContact O-N 2.73Å; D1415-L1417 VanDerWaalsContact C-N 3.33Å; D1415-L1417 PolarHBondContact O-N 3.08Å; L1417-K1419 PolarHBondContact O-N 3.5Å; L1417-G1420 PolarHBondContact O-N 3.06Å; L1417-T1422 HydrophobicContact CB-CG2 4.21Å; L1417-T1422 HydrophobicContact CD1-CG2 4.2Å; L1417-R1423 VanDerWaalsContact CD1-C 3.46Å; L1417-R1423 WeakPolarHBondContact CD1-O 3.41Å; L1417-I1425 HydrophobicContact CB-CD1 4.4Å; L1417-I1425 HydrophobicContact CB-CG2 3.99Å; L1417-I1425 HydrophobicContact CD1-CG2 4.37Å; L1417-I1425 HydrophobicContact CD2-CD1 4.05Å; L1417-I1425 HydrophobicContact CD2-CG1 4.12Å; L1417-V1444 HydrophobicContact CD2-CB 4.33Å; L1417-V1444 HydrophobicContact CD2-CG1 3.84Å; L1417-V1444 HydrophobicContact CD2-CG2 4.15Å |
| 1418 | S | 88.8 | Confident | 95.3 | Very high | 97 Ų | 97 | 28.7 Ų | 28.7 | 68% | 0.678 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -65.2 | -27.8 | 179.8 | 79.1 | 0 | 0 | 0 | 0 | 113 | E1414 D1415 G1420 | E1414-S1418 WeakPolarHBondContact O-CB 3.31Å; E1414-S1418 PolarHBondContact O-N 2.85Å; D1415-S1418 PolarHBondContact O-N 3.14Å; D1415-S1418 VanDerWaalsContact O-N 3.12Å; D1415-S1418 PolarHBondContact O-OG 2.87Å; S1418-G1420 VanDerWaalsContact C-N 3.29Å |
| 1419 | K | 94.4 | Very high | 95.5 | Very high | 102 Ų | 102 | 26.6 Ų | 26.6 | 44% | 0.443 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.4 | 173.8 | -69.3 | 163.7 | -177.1 | 169.8 | 0 | 113.5 | E1358 D1415 L1417 L1421 | E1358-K1419 IonicContact OE2-NZ 2.75Å; E1358-K1419 PolarHBondContact OE2-NZ 3.43Å; D1415-K1419 VanDerWaalsContact O-CG 3.3Å; D1415-K1419 WeakPolarHBondContact O-CG 3.33Å; D1415-K1419 PolarHBondContact O-N 3.01Å; L1417-K1419 PolarHBondContact O-N 3.5Å; K1419-L1421 HydrophobicContact CB-CD1 4.28Å; K1419-L1421 HydrophobicContact CB-CG 4.08Å; K1419-L1421 PolarHBondContact O-N 2.78Å |
| 1420 | G | 90.8 | Very high | 95.4 | Very high | 40 Ų | 40 | 26.7 Ų | 26.7 | 41% | 0.412 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | -2.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y1372 V1416 L1417 S1418 T1422 | Y1372-G1420 WeakPolarHBondContact CB-O 3.34Å; V1416-G1420 PolarHBondContact O-N 2.98Å; L1417-G1420 PolarHBondContact O-N 3.06Å; S1418-G1420 VanDerWaalsContact C-N 3.29Å; G1420-T1422 PolarHBondContact O-N 2.85Å |
| 1421 | L | 94.7 | Very high | 94.9 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -61.6 | -23.3 | 176.5 | -58.7 | 176.9 | 0 | 0 | 0 | 112.1 | E1358 L1361 K1362 L1365 Y1372 V1373 V1416 K1419 | E1358-L1421 HydrophobicContact CG-CD1 3.85Å; L1361-L1421 HydrophobicContact CD2-CB 3.53Å; L1361-L1421 HydrophobicContact CG-CB 4.19Å; K1362-L1421 HydrophobicContact CG-CD1 4.4Å; L1365-L1421 HydrophobicContact CD1-CB 4.01Å; L1365-L1421 HydrophobicContact CD1-CD2 3.88Å; L1365-L1421 HydrophobicContact CD1-CG 4.47Å; Y1372-L1421 VanDerWaalsContact CA-O 3.32Å; Y1372-L1421 WeakPolarHBondContact CA-O 3.41Å; V1373-L1421 PolarHBondContact N-O 3.48Å; V1416-L1421 HydrophobicContact CB-CB 4.46Å; V1416-L1421 HydrophobicContact CB-CD1 4.39Å; V1416-L1421 HydrophobicContact CG1-CD1 4.32Å; V1416-L1421 PolarHBondContact O-N 3.32Å; K1419-L1421 HydrophobicContact CB-CD1 4.28Å; K1419-L1421 HydrophobicContact CB-CG 4.08Å; K1419-L1421 PolarHBondContact O-N 2.78Å |
| 1422 | T | 98 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -134.1 | 155 | 163.3 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | V1373 F1376 V1416 L1417 G1420 S1424 I1425 | V1373-T1422 CarbonylContact O-C 3.56Å; V1373-T1422 VanDerWaalsContact O-CA 3.22Å; V1373-T1422 WeakPolarHBondContact O-CA 3.38Å; V1373-T1422 PolarHBondContact O-OG1 2.81Å; F1376-T1422 HydrophobicContact CB-CG2 3.91Å; F1376-T1422 PolarHBondContact N-OG1 3.15Å; V1416-T1422 HydrophobicContact CG2-CG2 4.16Å; L1417-T1422 HydrophobicContact CB-CG2 4.21Å; L1417-T1422 HydrophobicContact CD1-CG2 4.2Å; G1420-T1422 PolarHBondContact O-N 2.85Å; T1422-S1424 PolarHBondContact OG1-N 2.87Å; T1422-S1424 PolarHBondContact OG1-O 2.7Å; T1422-I1425 HydrophobicContact CG2-CG2 3.63Å |
| 1423 | R | 95.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 30.1 Ų | 30.1 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -97.8 | -16.3 | 175.8 | -64.2 | -176.8 | 62.4 | -149.4 | 9.3 | 114.7 | N1277 L1279 Y1372 V1373 D1374 L1417 T1825 | N1277-R1423 PolarHBondContact ND2-O 2.93Å; L1279-R1423 VanDerWaalsContact CD1-CZ 3.47Å; L1279-R1423 HydrophobicContact CD2-CB 4.19Å; Y1372-R1423 VanDerWaalsContact CD2-CD 3.5Å; Y1372-R1423 HydrophobicContact CD2-CG 3.71Å; Y1372-R1423 HydrophobicContact CE2-CG 3.98Å; V1373-R1423 PolarHBondContact O-N 3.46Å; D1374-R1423 IonicContact OD1-NH1 2.64Å; L1417-R1423 VanDerWaalsContact CD1-C 3.46Å; L1417-R1423 WeakPolarHBondContact CD1-O 3.41Å; R1423-T1825 PolarHBondContact NH1-OG1 3.48Å; R1423-T1825 PolarHBondContact NH2-OG1 2.67Å |
| 1424 | S | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -143.7 | 152.9 | 172.2 | -68.6 | 0 | 0 | 0 | 0 | 110.8 | N1277 L1279 D1374 L1375 F1376 T1422 | N1277-S1424 PolarHBondContact ND2-OG 3.27Å; L1279-S1424 WeakPolarHBondContact CD2-OG 3.46Å; D1374-S1424 VanDerWaalsContact O-CB 3.31Å; D1374-S1424 WeakPolarHBondContact O-CB 3.4Å; D1374-S1424 PolarHBondContact O-N 2.72Å; D1374-S1424 VanDerWaalsContact O-N 3.1Å; L1375-S1424 WeakPolarHBondContact CA-O 3.29Å; F1376-S1424 PolarHBondContact N-O 3.15Å; T1422-S1424 PolarHBondContact OG1-N 2.87Å; T1422-S1424 PolarHBondContact OG1-O 2.7Å | ||
| 1425 | I | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.7 | 171.3 | 57 | 178.1 | 0 | 0 | 0 | 111.5 | F1376 W1410 M1413 E1414 L1417 T1422 V1444 H1447 | F1376-I1425 VanDerWaalsContact O-CA 3.32Å; F1376-I1425 WeakPolarHBondContact O-CA 3.44Å; W1410-I1425 HydrophobicContact CH2-CB 4Å; W1410-I1425 HydrophobicContact CH2-CD1 3.86Å; W1410-I1425 HydrophobicContact CH2-CG1 3.69Å; W1410-I1425 HydrophobicContact CZ2-CD1 3.52Å; W1410-I1425 HydrophobicContact CZ2-CG1 3.75Å; M1413-I1425 HydrophobicContact CB-CB 4.25Å; M1413-I1425 HydrophobicContact CB-CD1 3.99Å; M1413-I1425 HydrophobicContact CB-CG2 4.06Å; M1413-I1425 HydrophobicContact CE-CB 4.36Å; M1413-I1425 HydrophobicContact CE-CG2 4.19Å; M1413-I1425 WeakPolarHBondContact O-CG2 3.18Å; E1414-I1425 HydrophobicContact CB-CD1 4.44Å; E1414-I1425 HydrophobicContact CG-CD1 3.71Å; L1417-I1425 HydrophobicContact CB-CD1 4.4Å; L1417-I1425 HydrophobicContact CB-CG2 3.99Å; L1417-I1425 HydrophobicContact CD1-CG2 4.37Å; L1417-I1425 HydrophobicContact CD2-CD1 4.05Å; L1417-I1425 HydrophobicContact CD2-CG1 4.12Å; T1422-I1425 HydrophobicContact CG2-CG2 3.63Å; I1425-V1444 HydrophobicContact CD1-CB 4.47Å; I1425-H1447 PolarHBondContact N-ND1 2.73Å; I1425-H1447 WeakPolarHBondContact O-CB 3.45Å; I1425-H1447 PolarHBondContact O-N 3.03Å; I1425-H1447 PolarHBondContact O-ND1 3.24Å |
| 1426 | G | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | -175.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1376 L1377 V1378 W1410 N1448 | F1376-G1426 PolarHBondContact O-N 2.81Å; L1377-G1426 WeakPolarHBondContact CA-O 3.46Å; L1377-G1426 VanDerWaalsContact CD2-CA 3.46Å; V1378-G1426 PolarHBondContact N-O 2.89Å; V1378-G1426 VanDerWaalsContact N-O 3.1Å; W1410-G1426 WeakPolarHBondContact CZ3-O 3.29Å; G1426-N1448 WeakPolarHBondContact CA-O 3.43Å |
| 1427 | L | 98.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.2 | -174.7 | -61.4 | 169 | 0 | 0 | 0 | 110 | V1378 W1410 F1430 I1435 V1438 P1446 N1448 L1449 Q1450 | V1378-L1427 HydrophobicContact CB-CD2 4.36Å; V1378-L1427 HydrophobicContact CG2-CD2 4.3Å; W1410-L1427 HydrophobicContact CE3-CD2 3.66Å; W1410-L1427 HydrophobicContact CE3-CG 4.45Å; W1410-L1427 HydrophobicContact CZ3-CD2 3.55Å; W1410-L1427 HydrophobicContact CZ3-CG 3.93Å; L1427-F1430 HydrophobicContact CB-CB 4.13Å; L1427-F1430 HydrophobicContact CB-CD1 4.49Å; L1427-F1430 HydrophobicContact CB-CD2 3.82Å; L1427-F1430 HydrophobicContact CB-CE2 4.38Å; L1427-F1430 HydrophobicContact CB-CG 3.9Å; L1427-F1430 HydrophobicContact CD1-CB 4.3Å; L1427-F1430 HydrophobicContact CD1-CD1 3.93Å; L1427-F1430 HydrophobicContact CD1-CE1 4.49Å; L1427-F1430 HydrophobicContact CD1-CG 4.08Å; L1427-F1430 HydrophobicContact CD2-CD1 3.88Å; L1427-F1430 HydrophobicContact CD2-CD2 3.97Å; L1427-F1430 HydrophobicContact CD2-CE1 3.71Å; L1427-F1430 HydrophobicContact CD2-CE2 3.78Å; L1427-F1430 HydrophobicContact CD2-CG 4.05Å; L1427-F1430 HydrophobicContact CD2-CZ 3.65Å; L1427-F1430 HydrophobicContact CG-CD1 4.32Å; L1427-F1430 HydrophobicContact CG-CD2 4.36Å; L1427-F1430 HydrophobicContact CG-CG 4.23Å; L1427-I1435 HydrophobicContact CD1-CB 4.4Å; L1427-I1435 HydrophobicContact CD1-CG1 4.02Å; L1427-I1435 HydrophobicContact CD1-CG2 4.25Å; L1427-V1438 HydrophobicContact CD1-CB 4.25Å; L1427-V1438 HydrophobicContact CD1-CG1 4.29Å; L1427-V1438 HydrophobicContact CD1-CG2 4.24Å; L1427-V1438 HydrophobicContact CD2-CG2 4.3Å; L1427-P1446 HydrophobicContact CD1-CB 4.03Å; L1427-P1446 HydrophobicContact CD1-CG 3.6Å; L1427-P1446 HydrophobicContact CG-CB 4.12Å; L1427-P1446 HydrophobicContact CG-CG 4.05Å; L1427-N1448 PolarHBondContact N-O 2.68Å; L1427-L1449 HydrophobicContact CB-CD1 3.95Å; L1427-L1449 CarbonylContact O-C 3.51Å; L1427-L1449 WeakPolarHBondContact O-CA 3.35Å; L1427-Q1450 PolarHBondContact O-N 3.17Å |
| 1428 | S | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.6 | 171.4 | -180 | 0 | 0 | 0 | 0 | 110.7 | V1378 H1379 T1380 F1430 Q1450 | V1378-S1428 WeakPolarHBondContact O-CA 3.39Å; V1378-S1428 VanDerWaalsContact O-CB 3.28Å; V1378-S1428 WeakPolarHBondContact O-CB 3.48Å; V1378-S1428 PolarHBondContact O-N 2.96Å; H1379-S1428 CarbonylContact C-O 3.44Å; H1379-S1428 WeakPolarHBondContact O-CB 3.46Å; H1379-S1428 PolarHBondContact O-OG 3.5Å; T1380-S1428 WeakPolarHBondContact CA-O 3.37Å; T1380-S1428 PolarHBondContact N-O 3.43Å; S1428-F1430 WeakPolarHBondContact O-CD2 3.41Å; S1428-F1430 PolarHBondContact O-N 3.29Å; S1428-Q1450 CarbonylContact C-O 3.55Å; S1428-Q1450 WeakPolarHBondContact CA-O 3.44Å; S1428-Q1450 PolarHBondContact OG-O 3.47Å |
| 1429 | N | 93.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 62.6 | 17.5 | -175.1 | -56.9 | -67.3 | 0 | 0 | 0 | 116.3 | H1379 P1381 Q1450 Y1476 F1577 | H1379-N1429 PolarHBondContact O-ND2 3.3Å; P1381-N1429 WeakPolarHBondContact CD-O 3.28Å; N1429-Q1450 PolarHBondContact N-O 2.98Å; N1429-Y1476 WeakPolarHBondContact OD1-CE1 3.3Å; N1429-Y1476 PolarHBondContact OD1-OH 3.04Å; N1429-F1577 HydrophobicContact CB-CE1 4.38Å; N1429-F1577 HydrophobicContact CB-CE2 4.31Å; N1429-F1577 HydrophobicContact CB-CZ 3.8Å; N1429-F1577 WeakPolarHBondContact OD1-CZ 3.36Å |
| 1430 | F | 92.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | trans | -80.9 | 138.7 | 171.9 | -78.6 | -122.5 | 0 | 0 | 0 | 110.8 | V1378 P1381 H1406 L1427 S1428 Q1434 I1435 V1438 L1449 | V1378-F1430 HydrophobicContact CB-CE2 4.07Å; V1378-F1430 HydrophobicContact CB-CZ 4.41Å; V1378-F1430 HydrophobicContact CG1-CE2 3.89Å; V1378-F1430 HydrophobicContact CG1-CZ 4.08Å; P1381-F1430 HydrophobicContact CB-CD1 4.29Å; P1381-F1430 HydrophobicContact CB-CD2 3.99Å; P1381-F1430 HydrophobicContact CB-CE1 4Å; P1381-F1430 HydrophobicContact CB-CE2 3.71Å; P1381-F1430 HydrophobicContact CB-CG 4.26Å; P1381-F1430 HydrophobicContact CB-CZ 3.7Å; P1381-F1430 HydrophobicContact CG-CD2 4.26Å; P1381-F1430 HydrophobicContact CG-CE2 4.36Å; H1406-F1430 HydrophobicContact CB-CE1 4.27Å; H1406-F1430 HydrophobicContact CB-CZ 4.08Å; H1406-F1430 AromaticContact CD2-CE1 3.98Å; H1406-F1430 AromaticContact CG-CE1 3.99Å; L1427-F1430 HydrophobicContact CB-CB 4.13Å; L1427-F1430 HydrophobicContact CB-CD1 4.49Å; L1427-F1430 HydrophobicContact CB-CD2 3.82Å; L1427-F1430 HydrophobicContact CB-CE2 4.38Å; L1427-F1430 HydrophobicContact CB-CG 3.9Å; L1427-F1430 HydrophobicContact CD1-CB 4.3Å; L1427-F1430 HydrophobicContact CD1-CD1 3.93Å; L1427-F1430 HydrophobicContact CD1-CE1 4.49Å; L1427-F1430 HydrophobicContact CD1-CG 4.08Å; L1427-F1430 HydrophobicContact CD2-CD1 3.88Å; L1427-F1430 HydrophobicContact CD2-CD2 3.97Å; L1427-F1430 HydrophobicContact CD2-CE1 3.71Å; L1427-F1430 HydrophobicContact CD2-CE2 3.78Å; L1427-F1430 HydrophobicContact CD2-CG 4.05Å; L1427-F1430 HydrophobicContact CD2-CZ 3.65Å; L1427-F1430 HydrophobicContact CG-CD1 4.32Å; L1427-F1430 HydrophobicContact CG-CD2 4.36Å; L1427-F1430 HydrophobicContact CG-CG 4.23Å; S1428-F1430 WeakPolarHBondContact O-CD2 3.41Å; S1428-F1430 PolarHBondContact O-N 3.29Å; F1430-Q1434 HydrophobicContact CB-CB 4.29Å; F1430-Q1434 HydrophobicContact CD1-CB 3.54Å; F1430-Q1434 HydrophobicContact CE1-CB 4.27Å; F1430-Q1434 HydrophobicContact CG-CB 4.27Å; F1430-I1435 HydrophobicContact CB-CD1 4.46Å; F1430-I1435 HydrophobicContact CB-CG1 3.76Å; F1430-V1438 HydrophobicContact CD1-CG2 4.45Å; F1430-V1438 HydrophobicContact CE1-CG2 4.08Å; F1430-L1449 HydrophobicContact CB-CD1 4.22Å | ||
| 1431 | N | 86.3 | Confident | 92.8 | Very high | 74 Ų | 74 | 33 Ų | 33 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | trans | -89.2 | 166 | 169.9 | 71.2 | 57.1 | 0 | 0 | 0 | 111.8 | S1433 Q1434 I1435 | N1431-S1433 PolarHBondContact O-N 3.26Å; N1431-S1433 VanDerWaalsContact O-N 3.1Å; N1431-S1433 WeakPolarHBondContact OD1-CB 3.26Å; N1431-S1433 PolarHBondContact OD1-N 3.22Å; N1431-S1433 PolarHBondContact OD1-OG 3.5Å; N1431-Q1434 PolarHBondContact ND2-OE1 3.18Å; N1431-Q1434 VanDerWaalsContact ND2-OE1 3.14Å; N1431-Q1434 PolarHBondContact O-N 2.83Å; N1431-Q1434 PolarHBondContact OD1-N 3.34Å; N1431-I1435 WeakPolarHBondContact O-CG1 3.24Å; N1431-I1435 PolarHBondContact O-N 2.86Å | ||
| 1432 | I | 90.1 | Very high | 92.7 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 32% | 0.323 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -45.6 | -48 | -178 | -59.8 | -178.5 | 0 | 0 | 0 | 111.8 | Q1434 I1435 V1436 L1462 F1465 | I1432-Q1434 PolarHBondContact O-N 3.39Å; I1432-I1435 PolarHBondContact O-N 3.18Å; I1432-V1436 HydrophobicContact CG2-CG2 4.22Å; I1432-V1436 WeakPolarHBondContact O-CB 3.24Å; I1432-V1436 VanDerWaalsContact O-CG2 3.31Å; I1432-V1436 WeakPolarHBondContact O-CG2 3.5Å; I1432-V1436 PolarHBondContact O-N 3.16Å; I1432-L1462 HydrophobicContact CG1-CD1 3.52Å; I1432-F1465 HydrophobicContact CD1-CB 4.12Å; I1432-F1465 HydrophobicContact CD1-CG 4.3Å; I1432-F1465 HydrophobicContact CG1-CB 4.36Å; I1432-F1465 HydrophobicContact CG1-CD1 4.26Å; I1432-F1465 HydrophobicContact CG1-CG 4.18Å; I1432-F1465 HydrophobicContact CG2-CD1 4.18Å; I1432-F1465 HydrophobicContact CG2-CD2 3.76Å; I1432-F1465 HydrophobicContact CG2-CE1 4.12Å; I1432-F1465 HydrophobicContact CG2-CE2 3.71Å; I1432-F1465 HydrophobicContact CG2-CG 4Å; I1432-F1465 HydrophobicContact CG2-CZ 3.89Å |
| 1433 | S | 80.6 | Confident | 92.1 | Very high | 39 Ų | 39 | 39 Ų | 39 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.9 | -18.6 | -175.8 | 81.8 | 0 | 0 | 0 | 0 | 114.8 | N1431 R1608 | N1431-S1433 PolarHBondContact O-N 3.26Å; N1431-S1433 VanDerWaalsContact O-N 3.1Å; N1431-S1433 WeakPolarHBondContact OD1-CB 3.26Å; N1431-S1433 PolarHBondContact OD1-N 3.22Å; N1431-S1433 PolarHBondContact OD1-OG 3.5Å; S1433-R1608 PolarHBondContact O-NH1 3.44Å; S1433-R1608 PolarHBondContact OG-NH1 3.27Å; S1433-R1608 PolarHBondContact OG-NH2 3.14Å |
| 1434 | Q | 90.6 | Very high | 91.8 | Very high | 40 Ų | 40 | 38.2 Ų | 38.2 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -91.7 | -36.8 | 173.6 | -61.4 | 164.4 | -43.5 | 0 | 0 | 110.4 | F1430 N1431 I1432 R1437 V1438 | F1430-Q1434 HydrophobicContact CB-CB 4.29Å; F1430-Q1434 HydrophobicContact CD1-CB 3.54Å; F1430-Q1434 HydrophobicContact CE1-CB 4.27Å; F1430-Q1434 HydrophobicContact CG-CB 4.27Å; N1431-Q1434 PolarHBondContact ND2-OE1 3.18Å; N1431-Q1434 VanDerWaalsContact ND2-OE1 3.14Å; N1431-Q1434 PolarHBondContact O-N 2.83Å; N1431-Q1434 PolarHBondContact OD1-N 3.34Å; I1432-Q1434 PolarHBondContact O-N 3.39Å; Q1434-R1437 PolarHBondContact O-N 3.44Å; Q1434-V1438 WeakPolarHBondContact O-CG2 3.5Å; Q1434-V1438 PolarHBondContact O-N 3.2Å |
| 1435 | I | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 173.7 | -56.4 | 164.6 | 0 | 0 | 0 | 110.4 | L1427 F1430 N1431 I1432 V1438 M1439 L1449 L1462 F1465 I1471 | L1427-I1435 HydrophobicContact CD1-CB 4.4Å; L1427-I1435 HydrophobicContact CD1-CG1 4.02Å; L1427-I1435 HydrophobicContact CD1-CG2 4.25Å; F1430-I1435 HydrophobicContact CB-CD1 4.46Å; F1430-I1435 HydrophobicContact CB-CG1 3.76Å; N1431-I1435 WeakPolarHBondContact O-CG1 3.24Å; N1431-I1435 PolarHBondContact O-N 2.86Å; I1432-I1435 PolarHBondContact O-N 3.18Å; I1435-V1438 PolarHBondContact O-N 2.9Å; I1435-M1439 HydrophobicContact CG2-CE 4.37Å; I1435-M1439 HydrophobicContact CG2-CG 4.37Å; I1435-M1439 WeakPolarHBondContact O-CG 3.41Å; I1435-M1439 PolarHBondContact O-N 3.01Å; I1435-L1449 HydrophobicContact CD1-CD1 3.75Å; I1435-L1449 HydrophobicContact CD1-CD2 3.59Å; I1435-L1449 HydrophobicContact CD1-CG 4.23Å; I1435-L1449 HydrophobicContact CG1-CD1 4.27Å; I1435-L1462 HydrophobicContact CD1-CD1 3.73Å; I1435-F1465 HydrophobicContact CB-CE1 4.08Å; I1435-F1465 HydrophobicContact CD1-CE1 4.48Å; I1435-F1465 HydrophobicContact CG2-CE1 3.9Å; I1435-I1471 HydrophobicContact CG2-CD1 3.87Å |
| 1436 | V | 90.3 | Very high | 91.5 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.8 | -50.7 | 171.5 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | I1432 V1438 M1439 D1440 F1465 | I1432-V1436 HydrophobicContact CG2-CG2 4.22Å; I1432-V1436 WeakPolarHBondContact O-CB 3.24Å; I1432-V1436 VanDerWaalsContact O-CG2 3.31Å; I1432-V1436 WeakPolarHBondContact O-CG2 3.5Å; I1432-V1436 PolarHBondContact O-N 3.16Å; V1436-V1438 VanDerWaalsContact C-N 3.27Å; V1436-V1438 PolarHBondContact O-N 3.2Å; V1436-M1439 HydrophobicContact CG2-CE 4.45Å; V1436-M1439 PolarHBondContact O-N 2.81Å; V1436-D1440 VanDerWaalsContact CG1-OD2 3.22Å; V1436-D1440 WeakPolarHBondContact CG1-OD2 3.44Å; V1436-D1440 WeakPolarHBondContact O-CB 3.34Å; V1436-D1440 PolarHBondContact O-N 3.31Å; V1436-F1465 HydrophobicContact CG2-CE2 3.92Å; V1436-F1465 HydrophobicContact CG2-CZ 3.53Å |
| 1437 | R | 92.3 | Very high | 91.4 | Very high | 83 Ų | 83 | 42.8 Ų | 42.8 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.8 | -40.3 | 177.8 | -175.7 | 172.3 | -176.1 | -101.8 | -2.6 | 112.6 | D1405 H1406 L1407 Q1434 N1441 | D1405-R1437 IonicContact OD1-CZ 2.74Å; D1405-R1437 IonicContact OD1-NH1 2.58Å; D1405-R1437 PolarHBondContact OD1-NH1 3Å; D1405-R1437 IonicContact OD1-NH2 3.82Å; D1405-R1437 PolarHBondContact OD1-NH2 3.21Å; D1405-R1437 IonicContact OD2-CZ 2.8Å; D1405-R1437 IonicContact OD2-NH1 2.8Å; D1405-R1437 IonicContact OD2-NH2 3.37Å; D1405-R1437 PolarHBondContact OD2-NH2 3.47Å; H1406-R1437 PolarHBondContact CD2-NH1 2.77Å; H1406-R1437 PolarHBondContact CE1-NH1 2.82Å; H1406-R1437 VanDerWaalsContact CE1-NH1 3.31Å; H1406-R1437 PolarHBondContact NE2-NH1 2.8Å; L1407-R1437 HydrophobicContact CD1-CG 4.19Å; L1407-R1437 HydrophobicContact CD2-CG 4.41Å; L1407-R1437 HydrophobicContact CG-CG 4.47Å; Q1434-R1437 PolarHBondContact O-N 3.44Å; R1437-N1441 WeakPolarHBondContact O-CB 3.49Å; R1437-N1441 PolarHBondContact O-ND2 2.85Å |
| 1438 | V | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -50.7 | 173.1 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L1407 W1410 L1427 F1430 Q1434 I1435 V1436 D1440 N1441 C1442 P1446 | L1407-V1438 HydrophobicContact CD2-CG2 4.2Å; W1410-V1438 HydrophobicContact CD2-CG1 3.56Å; W1410-V1438 HydrophobicContact CE3-CG1 4.09Å; W1410-V1438 HydrophobicContact CG-CG1 3.73Å; W1410-V1438 HydrophobicContact CZ2-CG1 4.3Å; L1427-V1438 HydrophobicContact CD1-CB 4.25Å; L1427-V1438 HydrophobicContact CD1-CG1 4.29Å; L1427-V1438 HydrophobicContact CD1-CG2 4.24Å; L1427-V1438 HydrophobicContact CD2-CG2 4.3Å; F1430-V1438 HydrophobicContact CD1-CG2 4.45Å; F1430-V1438 HydrophobicContact CE1-CG2 4.08Å; Q1434-V1438 WeakPolarHBondContact O-CG2 3.5Å; Q1434-V1438 PolarHBondContact O-N 3.2Å; I1435-V1438 PolarHBondContact O-N 2.9Å; V1436-V1438 VanDerWaalsContact C-N 3.27Å; V1436-V1438 PolarHBondContact O-N 3.2Å; V1438-D1440 VanDerWaalsContact C-N 3.3Å; V1438-D1440 PolarHBondContact O-N 3.43Å; V1438-N1441 CarbonylContact O-C 3.56Å; V1438-N1441 PolarHBondContact O-N 3.1Å; V1438-C1442 HydrophobicContact CG1-CB 4.45Å; V1438-C1442 VanDerWaalsContact O-CB 3.23Å; V1438-C1442 WeakPolarHBondContact O-CB 3.23Å; V1438-C1442 PolarHBondContact O-N 3.29Å; V1438-P1446 HydrophobicContact CG1-CG 3.81Å |
| 1439 | M | 92.2 | Very high | 91.6 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.6 | -38.5 | -179.4 | -75.9 | -163.9 | -59.4 | 0 | 0 | 113.6 | I1435 V1436 N1441 C1442 F1465 H1469 I1471 | I1435-M1439 HydrophobicContact CG2-CE 4.37Å; I1435-M1439 HydrophobicContact CG2-CG 4.37Å; I1435-M1439 WeakPolarHBondContact O-CG 3.41Å; I1435-M1439 PolarHBondContact O-N 3.01Å; V1436-M1439 HydrophobicContact CG2-CE 4.45Å; V1436-M1439 PolarHBondContact O-N 2.81Å; M1439-N1441 PolarHBondContact O-N 3.21Å; M1439-C1442 PolarHBondContact O-SG 3.28Å; M1439-F1465 HydrophobicContact CE-CE1 4.03Å; M1439-F1465 HydrophobicContact CE-CE2 4.46Å; M1439-F1465 HydrophobicContact CE-CZ 3.5Å; M1439-F1465 VanDerWaalsContact CE-CZ 3.5Å; M1439-H1469 HydrophobicContact CE-CB 4.36Å; M1439-H1469 HydrophobicContact SD-CB 4.06Å; M1439-I1471 HydrophobicContact SD-CD1 3.83Å |
| 1440 | D | 87.5 | Confident | 91.8 | Very high | 121 Ų | 121 | 41.5 Ų | 41.5 | 65% | 0.647 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -13.1 | 178.8 | -63.5 | -19 | 0 | 0 | 0 | 113 | V1436 V1438 | V1436-D1440 VanDerWaalsContact CG1-OD2 3.22Å; V1436-D1440 WeakPolarHBondContact CG1-OD2 3.44Å; V1436-D1440 WeakPolarHBondContact O-CB 3.34Å; V1436-D1440 PolarHBondContact O-N 3.31Å; V1438-D1440 VanDerWaalsContact C-N 3.3Å; V1438-D1440 PolarHBondContact O-N 3.43Å |
| 1441 | N | 91.6 | Very high | 92 | Very high | 79 Ų | 79 | 41.6 Ų | 41.6 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 2.2 | -173.5 | -71.6 | -93.1 | 0 | 0 | 0 | 114.1 | L1407 R1437 V1438 M1439 | L1407-N1441 HydrophobicContact CD1-CB 3.86Å; L1407-N1441 HydrophobicContact CD2-CB 3.74Å; L1407-N1441 HydrophobicContact CG-CB 4.41Å; R1437-N1441 WeakPolarHBondContact O-CB 3.49Å; R1437-N1441 PolarHBondContact O-ND2 2.85Å; V1438-N1441 CarbonylContact O-C 3.56Å; V1438-N1441 PolarHBondContact O-N 3.1Å; M1439-N1441 PolarHBondContact O-N 3.21Å |
| 1442 | C | 91.6 | Very high | 92.4 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | trans | -90.3 | 147.9 | -177.1 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | E1414 V1438 M1439 V1444 | E1414-C1442 WeakPolarHBondContact OE1-CA 3.33Å; E1414-C1442 WeakPolarHBondContact OE1-CB 3.39Å; V1438-C1442 HydrophobicContact CG1-CB 4.45Å; V1438-C1442 VanDerWaalsContact O-CB 3.23Å; V1438-C1442 WeakPolarHBondContact O-CB 3.23Å; V1438-C1442 PolarHBondContact O-N 3.29Å; M1439-C1442 PolarHBondContact O-SG 3.28Å; C1442-V1444 WeakPolarHBondContact CB-O 3.44Å | ||
| 1443 | T | 86.5 | Confident | 92.7 | Very high | 125 Ų | 125 | 35.1 Ų | 35.1 | 77% | 0.767 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -81.2 | -32.4 | 161.5 | -33.6 | 0 | 0 | 0 | 0 | 110.3 | E1414 | E1414-T1443 PolarHBondContact OE1-N 2.83Å; E1414-T1443 WeakPolarHBondContact OE2-CB 3.36Å; E1414-T1443 PolarHBondContact OE2-N 3.28Å; E1414-T1443 PolarHBondContact OE2-OG1 3.04Å |
| 1444 | V | 90 | Very high | 93.3 | Very high | 44 Ų | 44 | 33.2 Ų | 33.2 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -127.7 | 119.3 | -178.1 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | W1410 E1414 L1417 I1425 C1442 H1447 | W1410-V1444 WeakPolarHBondContact CZ2-O 3.45Å; W1410-V1444 PolarHBondContact NE1-O 2.89Å; E1414-V1444 HydrophobicContact CG-CB 4.22Å; E1414-V1444 HydrophobicContact CG-CG2 4.36Å; E1414-V1444 PolarHBondContact OE1-N 2.79Å; L1417-V1444 HydrophobicContact CD2-CB 4.33Å; L1417-V1444 HydrophobicContact CD2-CG1 3.84Å; L1417-V1444 HydrophobicContact CD2-CG2 4.15Å; I1425-V1444 HydrophobicContact CD1-CB 4.47Å; C1442-V1444 WeakPolarHBondContact CB-O 3.44Å; V1444-H1447 VanDerWaalsContact CG1-CE1 3.41Å; V1444-H1447 WeakPolarHBondContact CG1-CE1 3.26Å |
| 1445 | K | 91 | Very high | 93.5 | Very high | 87 Ų | 87 | 31.3 Ų | 31.3 | 38% | 0.378 | 17% | 0.166 | S | C | . | . | trans | -62.2 | 147.3 | 178.8 | -68.8 | -179.7 | -178.9 | 175 | 0 | 111.5 | H1447 | K1445-H1447 PolarHBondContact O-N 2.85Å; K1445-H1447 PolarHBondContact O-ND1 2.95Å | ||
| 1446 | P | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | trans | -55.2 | 122.2 | 170 | -24.3 | 33.7 | 0 | 0 | 0 | 111.3 | W1410 L1427 V1438 I1471 | W1410-P1446 HydrophobicContact CH2-CB 3.91Å; W1410-P1446 HydrophobicContact CH2-CG 3.81Å; W1410-P1446 HydrophobicContact CZ2-CB 4.3Å; W1410-P1446 HydrophobicContact CZ2-CG 3.85Å; W1410-P1446 HydrophobicContact CZ3-CG 4.46Å; L1427-P1446 HydrophobicContact CD1-CB 4.03Å; L1427-P1446 HydrophobicContact CD1-CG 3.6Å; L1427-P1446 HydrophobicContact CG-CB 4.12Å; L1427-P1446 HydrophobicContact CG-CG 4.05Å; V1438-P1446 HydrophobicContact CG1-CG 3.81Å; P1446-I1471 HydrophobicContact CB-CD1 4.49Å; P1446-I1471 WeakPolarHBondContact O-CG1 3.38Å | ||
| 1447 | H | 97.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -77.6 | -30.4 | -177.8 | -56.4 | 82.6 | 0 | 0 | 0 | 111.8 | L1275 N1277 I1425 V1444 K1445 S1472 | L1275-H1447 HydrophobicContact CD1-CB 4.41Å; N1277-H1447 WeakPolarHBondContact CB-NE2 3.42Å; I1425-H1447 PolarHBondContact N-ND1 2.73Å; I1425-H1447 WeakPolarHBondContact O-CB 3.45Å; I1425-H1447 PolarHBondContact O-N 3.03Å; I1425-H1447 PolarHBondContact O-ND1 3.24Å; V1444-H1447 VanDerWaalsContact CG1-CE1 3.41Å; V1444-H1447 WeakPolarHBondContact CG1-CE1 3.26Å; K1445-H1447 PolarHBondContact O-N 2.85Å; K1445-H1447 PolarHBondContact O-ND1 2.95Å; H1447-S1472 PolarHBondContact O-N 3.09Å; H1447-S1472 VanDerWaalsContact O-N 3.11Å; H1447-S1472 PolarHBondContact O-OG 3.35Å |
| 1448 | N | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.6 | -178.1 | -170.5 | -104.7 | 0 | 0 | 0 | 110.4 | L1375 G1426 L1427 S1472 T1474 | L1375-N1448 HydrophobicContact CD1-CB 4.18Å; L1375-N1448 HydrophobicContact CD2-CB 3.73Å; G1426-N1448 WeakPolarHBondContact CA-O 3.43Å; L1427-N1448 PolarHBondContact N-O 2.68Å; N1448-S1472 CarbonylContact C-O 3.56Å; N1448-S1472 WeakPolarHBondContact CA-O 3.47Å; N1448-S1472 WeakPolarHBondContact CA-OG 3.46Å; N1448-S1472 WeakPolarHBondContact CB-OG 3.38Å; N1448-S1472 PolarHBondContact ND2-O 2.84Å; N1448-S1472 PolarHBondContact ND2-OG 3.41Å; N1448-T1474 PolarHBondContact ND2-OG1 2.83Å; N1448-T1474 PolarHBondContact OD1-OG1 3.15Å |
| 1449 | L | 98.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124 | 162.5 | 177.6 | 72.9 | 0 | 0 | 0 | 108.6 | L1427 F1430 I1435 V1451 L1462 C1466 I1471 S1472 F1473 T1474 | L1427-L1449 HydrophobicContact CB-CD1 3.95Å; L1427-L1449 CarbonylContact O-C 3.51Å; L1427-L1449 WeakPolarHBondContact O-CA 3.35Å; F1430-L1449 HydrophobicContact CB-CD1 4.22Å; I1435-L1449 HydrophobicContact CD1-CD1 3.75Å; I1435-L1449 HydrophobicContact CD1-CD2 3.59Å; I1435-L1449 HydrophobicContact CD1-CG 4.23Å; I1435-L1449 HydrophobicContact CG1-CD1 4.27Å; L1449-V1451 HydrophobicContact CD1-CG1 4.1Å; L1449-V1451 HydrophobicContact CD2-CG1 4.07Å; L1449-V1451 HydrophobicContact CD2-CG2 4.31Å; L1449-V1451 HydrophobicContact CG-CG1 3.95Å; L1449-L1462 HydrophobicContact CD2-CD1 3.89Å; L1449-L1462 HydrophobicContact CD2-CD2 3.99Å; L1449-L1462 HydrophobicContact CD2-CG 3.77Å; L1449-C1466 VanDerWaalsContact CD2-SG 3.52Å; L1449-I1471 HydrophobicContact CB-CG2 4.16Å; L1449-S1472 PolarHBondContact N-O 3.14Å; L1449-F1473 HydrophobicContact CD2-CD2 4.29Å; L1449-F1473 HydrophobicContact CD2-CE2 3.97Å; L1449-T1474 PolarHBondContact O-N 2.76Å |
| 1450 | Q | 98.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.6 | 172.4 | -168.9 | 178.7 | 118 | 0 | 0 | 111.3 | D1312 L1377 L1427 S1428 N1429 T1474 Y1476 I1537 | D1312-Q1450 PolarHBondContact OD2-NE2 3.22Å; D1312-Q1450 PolarHBondContact OD2-OE1 2.82Å; L1377-Q1450 HydrophobicContact CD1-CB 3.68Å; L1377-Q1450 HydrophobicContact CD1-CG 4.43Å; L1427-Q1450 PolarHBondContact O-N 3.17Å; S1428-Q1450 CarbonylContact C-O 3.55Å; S1428-Q1450 WeakPolarHBondContact CA-O 3.44Å; S1428-Q1450 PolarHBondContact OG-O 3.47Å; N1429-Q1450 PolarHBondContact N-O 2.98Å; Q1450-T1474 WeakPolarHBondContact CA-O 3.42Å; Q1450-T1474 HydrophobicContact CG-CG2 3.85Å; Q1450-Y1476 HydrophobicContact CG-CD1 4.16Å; Q1450-I1537 HydrophobicContact CG-CD1 4.36Å |
| 1451 | V | 96.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 159.1 | -178.3 | -74.3 | 0 | 0 | 0 | 0 | 111.8 | L1449 C1453 Q1459 L1462 F1473 T1474 A1475 Y1476 | L1449-V1451 HydrophobicContact CD1-CG1 4.1Å; L1449-V1451 HydrophobicContact CD2-CG1 4.07Å; L1449-V1451 HydrophobicContact CD2-CG2 4.31Å; L1449-V1451 HydrophobicContact CG-CG1 3.95Å; V1451-C1453 PolarHBondContact O-N 3.36Å; V1451-C1453 VanDerWaalsContact O-N 3.12Å; V1451-Q1459 HydrophobicContact CG2-CG 4.23Å; V1451-L1462 HydrophobicContact CG1-CD2 4.13Å; V1451-L1462 HydrophobicContact CG2-CD2 4.16Å; V1451-F1473 HydrophobicContact CG2-CE1 3.66Å; V1451-F1473 HydrophobicContact CG2-CE2 3.89Å; V1451-F1473 HydrophobicContact CG2-CZ 3.23Å; V1451-T1474 PolarHBondContact N-O 2.89Å; V1451-A1475 WeakPolarHBondContact O-CA 3.48Å; V1451-Y1476 VanDerWaalsContact C-CE1 3.44Å; V1451-Y1476 PolarHBondContact O-N 2.88Å |
| 1452 | E | 93.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 111.7 | 170.5 | -169.8 | -175.7 | 171.2 | 0 | 0 | 108.8 | H1454 L1457 Q1459 Y1476 R1573 I1574 F1575 | E1452-H1454 IonicContact OE1-NE2 3.7Å; E1452-L1457 HydrophobicContact CB-CD2 3.99Å; E1452-L1457 HydrophobicContact CG-CD2 3.8Å; E1452-Q1459 VanDerWaalsContact O-CG 3.24Å; E1452-Q1459 WeakPolarHBondContact O-CG 3.41Å; E1452-Q1459 PolarHBondContact O-NE2 2.92Å; E1452-Y1476 WeakPolarHBondContact CA-O 3.36Å; E1452-Y1476 HydrophobicContact CB-CD2 4.49Å; E1452-Y1476 HydrophobicContact CB-CE1 4.07Å; E1452-Y1476 HydrophobicContact CB-CE2 3.88Å; E1452-Y1476 HydrophobicContact CG-CE2 4.2Å; E1452-Y1476 VanDerWaalsContact N-CD1 3.3Å; E1452-R1573 WeakPolarHBondContact OE2-CG 3.31Å; E1452-R1573 IonicContact OE2-CZ 2.78Å; E1452-R1573 IonicContact OE2-NE 2.69Å; E1452-R1573 IonicContact OE2-NH1 3.8Å; E1452-R1573 PolarHBondContact OE2-NH1 2.89Å; E1452-I1574 VanDerWaalsContact OE1-CA 3.32Å; E1452-I1574 WeakPolarHBondContact OE1-CA 3.06Å; E1452-I1574 WeakPolarHBondContact OE1-CB 3.3Å; E1452-I1574 PolarHBondContact OE1-N 3.1Å; E1452-F1575 HydrophobicContact CG-CD2 4.29Å; E1452-F1575 PolarHBondContact OE1-N 3.11Å |
| 1453 | C | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -145.1 | 117.8 | -177.3 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | V1451 L1457 P1458 Q1459 F1473 A1475 Y1476 P1478 | V1451-C1453 PolarHBondContact O-N 3.36Å; V1451-C1453 VanDerWaalsContact O-N 3.12Å; C1453-L1457 VanDerWaalsContact CA-O 3.31Å; C1453-L1457 WeakPolarHBondContact CA-O 3.48Å; C1453-P1458 PolarHBondContact SG-O 2.59Å; C1453-Q1459 HydrophobicContact CB-CB 4.45Å; C1453-Q1459 HydrophobicContact CB-CG 3.86Å; C1453-F1473 HydrophobicContact CB-CE1 4.03Å; C1453-A1475 HydrophobicContact CB-CB 3.71Å; C1453-Y1476 PolarHBondContact N-O 2.93Å; C1453-Y1476 VanDerWaalsContact N-O 3.16Å; C1453-P1478 WeakPolarHBondContact O-CA 3.37Å | ||
| 1454 | H | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -159.2 | -179.6 | -178.1 | 51.5 | 66.6 | 0 | 0 | 0 | 110 | E1452 Y1456 L1457 P1458 S1477 P1478 P1502 Q1572 I1574 | E1452-H1454 IonicContact OE1-NE2 3.7Å; H1454-Y1456 VanDerWaalsContact C-N 3.3Å; H1454-Y1456 PolarHBondContact ND1-N 3.2Å; H1454-Y1456 PolarHBondContact O-N 3.26Å; H1454-Y1456 VanDerWaalsContact O-N 3.17Å; H1454-L1457 VanDerWaalsContact CE1-CB 3.43Å; H1454-L1457 WeakPolarHBondContact CE1-CB 2.97Å; H1454-L1457 PolarHBondContact N-O 3.25Å; H1454-L1457 VanDerWaalsContact N-O 3.08Å; H1454-L1457 PolarHBondContact ND1-N 3.27Å; H1454-L1457 CarbonylContact O-C 3.16Å; H1454-L1457 WeakPolarHBondContact O-CA 3.32Å; H1454-L1457 PolarHBondContact O-N 3.18Å; H1454-L1457 VanDerWaalsContact O-O 3.11Å; H1454-P1458 WeakPolarHBondContact O-CA 3.19Å; H1454-P1458 VanDerWaalsContact O-N 3.14Å; H1454-S1477 PolarHBondContact CD2-O 2.95Å; H1454-P1478 WeakPolarHBondContact CB-O 3.49Å; H1454-P1502 HydrophobicContact CB-CB 4.17Å; H1454-P1502 HydrophobicContact CB-CG 4.08Å; H1454-P1502 WeakPolarHBondContact ND1-CG 3.38Å; H1454-Q1572 PolarHBondContact CE1-O 3.06Å; H1454-I1574 WeakPolarHBondContact NE2-CD1 3.3Å |
| 1455 | I | 94.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.3 | -173.4 | -159 | 174.7 | 0 | 0 | 0 | 114.1 | P1502 D1505 L1525 W1528 L1565 V1568 R1571 | I1455-P1502 HydrophobicContact CG2-CB 3.87Å; I1455-P1502 HydrophobicContact CG2-CG 4.47Å; I1455-D1505 HydrophobicContact CG2-CB 4.43Å; I1455-L1525 HydrophobicContact CB-CD2 3.84Å; I1455-L1525 HydrophobicContact CD1-CD2 4.04Å; I1455-L1525 HydrophobicContact CG1-CD2 4.46Å; I1455-L1525 HydrophobicContact CG2-CD2 4.05Å; I1455-W1528 HydrophobicContact CB-CZ3 4.3Å; I1455-L1565 HydrophobicContact CD1-CD2 3.53Å; I1455-V1568 HydrophobicContact CD1-CB 4.36Å; I1455-V1568 HydrophobicContact CD1-CG2 3.71Å; I1455-V1568 HydrophobicContact CG1-CB 4.12Å; I1455-V1568 HydrophobicContact CG1-CG1 4.39Å; I1455-V1568 HydrophobicContact CG1-CG2 4Å; I1455-R1571 PolarHBondContact O-NH1 2.89Å |
| 1456 | Y | 93.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -4 | 174.1 | -49 | -33.1 | 0 | 0 | 0 | 115.3 | H1454 R1500 E1501 P1502 D1505 V1568 I1570 R1571 Q1572 | H1454-Y1456 VanDerWaalsContact C-N 3.3Å; H1454-Y1456 PolarHBondContact ND1-N 3.2Å; H1454-Y1456 PolarHBondContact O-N 3.26Å; H1454-Y1456 VanDerWaalsContact O-N 3.17Å; Y1456-R1500 HydrophobicContact CD2-CB 4.3Å; Y1456-R1500 HydrophobicContact CE2-CB 3.54Å; Y1456-R1500 WeakPolarHBondContact CE2-O 3.39Å; Y1456-E1501 PolarHBondContact OH-O 2.9Å; Y1456-P1502 HydrophobicContact CD2-CG 3.67Å; Y1456-P1502 HydrophobicContact CE2-CB 4.49Å; Y1456-P1502 HydrophobicContact CE2-CG 3.98Å; Y1456-P1502 VanDerWaalsContact CE2-N 3.31Å; Y1456-P1502 HydrophobicContact CG-CG 4.32Å; Y1456-D1505 HydrophobicContact CE1-CB 4.43Å; Y1456-D1505 WeakPolarHBondContact CE1-OD2 3.39Å; Y1456-D1505 PolarHBondContact OH-OD2 2.71Å; Y1456-V1568 HydrophobicContact CD1-CG1 4.05Å; Y1456-V1568 HydrophobicContact CE1-CG1 4.05Å; Y1456-I1570 WeakPolarHBondContact CA-O 3.44Å; Y1456-I1570 HydrophobicContact CD1-CB 3.59Å; Y1456-I1570 HydrophobicContact CD1-CD1 4.21Å; Y1456-I1570 HydrophobicContact CD1-CG2 3.55Å; Y1456-I1570 HydrophobicContact CD2-CG2 4.18Å; Y1456-I1570 HydrophobicContact CE1-CB 3.97Å; Y1456-I1570 HydrophobicContact CE1-CD1 3.65Å; Y1456-I1570 HydrophobicContact CE1-CG1 4.44Å; Y1456-I1570 HydrophobicContact CE1-CG2 4.02Å; Y1456-I1570 HydrophobicContact CG-CB 4.21Å; Y1456-I1570 HydrophobicContact CG-CG2 3.67Å; Y1456-R1571 CarbonylContact O-C 3.43Å; Y1456-R1571 VanDerWaalsContact O-CA 3.27Å; Y1456-R1571 WeakPolarHBondContact O-CA 3.34Å; Y1456-Q1572 PolarHBondContact O-N 3.29Å |
| 1457 | L | 91.6 | Very high | 94.2 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 16% | 0.157 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -144.9 | 71 | 174.8 | -169.2 | 67.4 | 0 | 0 | 0 | 108.2 | E1452 C1453 H1454 Q1459 R1573 | E1452-L1457 HydrophobicContact CB-CD2 3.99Å; E1452-L1457 HydrophobicContact CG-CD2 3.8Å; C1453-L1457 VanDerWaalsContact CA-O 3.31Å; C1453-L1457 WeakPolarHBondContact CA-O 3.48Å; H1454-L1457 VanDerWaalsContact CE1-CB 3.43Å; H1454-L1457 WeakPolarHBondContact CE1-CB 2.97Å; H1454-L1457 PolarHBondContact N-O 3.25Å; H1454-L1457 VanDerWaalsContact N-O 3.08Å; H1454-L1457 PolarHBondContact ND1-N 3.27Å; H1454-L1457 CarbonylContact O-C 3.16Å; H1454-L1457 WeakPolarHBondContact O-CA 3.32Å; H1454-L1457 PolarHBondContact O-N 3.18Å; H1454-L1457 VanDerWaalsContact O-O 3.11Å; L1457-Q1459 PolarHBondContact O-N 2.66Å; L1457-R1573 HydrophobicContact CD2-CB 4.36Å; L1457-R1573 HydrophobicContact CD2-CG 4.1Å |
| 1458 | P | 94.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 5% | 0.045 | 16% | 0.155 | C | C | . | . | trans | -77.2 | -5 | -165.1 | 30.8 | -38.4 | 0 | 0 | 0 | 114.4 | C1453 H1454 F1460 W1528 R1532 | C1453-P1458 PolarHBondContact SG-O 2.59Å; H1454-P1458 WeakPolarHBondContact O-CA 3.19Å; H1454-P1458 VanDerWaalsContact O-N 3.14Å; P1458-F1460 HydrophobicContact CB-CD1 4.2Å; P1458-F1460 HydrophobicContact CB-CD2 4.01Å; P1458-F1460 HydrophobicContact CB-CE1 3.8Å; P1458-F1460 HydrophobicContact CB-CE2 3.6Å; P1458-F1460 HydrophobicContact CB-CG 4.29Å; P1458-F1460 HydrophobicContact CB-CZ 3.48Å; P1458-F1460 VanDerWaalsContact CB-CZ 3.48Å; P1458-F1460 HydrophobicContact CG-CD2 3.57Å; P1458-F1460 HydrophobicContact CG-CE1 4.39Å; P1458-F1460 HydrophobicContact CG-CE2 3.26Å; P1458-F1460 HydrophobicContact CG-CG 4.27Å; P1458-F1460 HydrophobicContact CG-CZ 3.71Å; P1458-F1460 PolarHBondContact O-N 3.17Å; P1458-F1460 VanDerWaalsContact O-N 3.14Å; P1458-W1528 HydrophobicContact CB-CH2 3.92Å; P1458-W1528 HydrophobicContact CB-CZ2 4.21Å; P1458-R1532 PolarHBondContact O-NH1 3.02Å; P1458-R1532 VanDerWaalsContact O-NH1 3.1Å; P1458-R1532 PolarHBondContact O-NH2 3.07Å | ||
| 1459 | Q | 93.8 | Very high | 93.5 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | trans | 51.6 | 30.9 | 176.8 | -58.6 | -68.9 | 4 | 0 | 0 | 115.4 | V1451 E1452 C1453 L1457 E1461 L1462 H1463 F1473 | V1451-Q1459 HydrophobicContact CG2-CG 4.23Å; E1452-Q1459 VanDerWaalsContact O-CG 3.24Å; E1452-Q1459 WeakPolarHBondContact O-CG 3.41Å; E1452-Q1459 PolarHBondContact O-NE2 2.92Å; C1453-Q1459 HydrophobicContact CB-CB 4.45Å; C1453-Q1459 HydrophobicContact CB-CG 3.86Å; L1457-Q1459 PolarHBondContact O-N 2.66Å; Q1459-E1461 PolarHBondContact O-N 3.09Å; Q1459-L1462 HydrophobicContact CB-CB 4.44Å; Q1459-L1462 PolarHBondContact O-N 2.99Å; Q1459-H1463 WeakPolarHBondContact O-CB 3.48Å; Q1459-H1463 PolarHBondContact O-N 3.34Å; Q1459-F1473 HydrophobicContact CB-CE1 4.31Å; Q1459-F1473 HydrophobicContact CB-CZ 3.64Å; Q1459-F1473 HydrophobicContact CG-CZ 4.16Å | ||
| 1460 | F | 94.7 | Very high | 93.1 | Very high | 74 Ų | 74 | 42.8 Ų | 42.8 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -51.4 | -50.8 | -172.2 | -63.3 | -56.1 | 0 | 0 | 0 | 113.8 | P1458 H1463 E1464 N1566 | P1458-F1460 HydrophobicContact CB-CD1 4.2Å; P1458-F1460 HydrophobicContact CB-CD2 4.01Å; P1458-F1460 HydrophobicContact CB-CE1 3.8Å; P1458-F1460 HydrophobicContact CB-CE2 3.6Å; P1458-F1460 HydrophobicContact CB-CG 4.29Å; P1458-F1460 HydrophobicContact CB-CZ 3.48Å; P1458-F1460 VanDerWaalsContact CB-CZ 3.48Å; P1458-F1460 HydrophobicContact CG-CD2 3.57Å; P1458-F1460 HydrophobicContact CG-CE1 4.39Å; P1458-F1460 HydrophobicContact CG-CE2 3.26Å; P1458-F1460 HydrophobicContact CG-CG 4.27Å; P1458-F1460 HydrophobicContact CG-CZ 3.71Å; P1458-F1460 PolarHBondContact O-N 3.17Å; P1458-F1460 VanDerWaalsContact O-N 3.14Å; F1460-H1463 WeakPolarHBondContact O-CB 3.37Å; F1460-H1463 PolarHBondContact O-N 2.94Å; F1460-E1464 WeakPolarHBondContact O-CG 3.07Å; F1460-E1464 PolarHBondContact O-N 3.39Å; F1460-N1566 HydrophobicContact CE1-CB 4.33Å; F1460-N1566 WeakPolarHBondContact CE1-OD1 3.31Å; F1460-N1566 HydrophobicContact CZ-CB 3.8Å |
| 1461 | E | 88.3 | Confident | 93 | Very high | 154 Ų | 154 | 43 Ų | 43 | 72% | 0.72 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64 | -43.9 | -178.3 | -64.9 | 157.1 | -175.4 | 0 | 0 | 112.6 | Q1459 H1463 F1465 | Q1459-E1461 PolarHBondContact O-N 3.09Å; E1461-H1463 VanDerWaalsContact C-N 3.34Å; E1461-F1465 VanDerWaalsContact O-CB 3.28Å; E1461-F1465 WeakPolarHBondContact O-CB 3.42Å; E1461-F1465 PolarHBondContact O-N 2.86Å |
| 1462 | L | 92.7 | Very high | 92.9 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.8 | -33.3 | 179.2 | -173.9 | 61.4 | 0 | 0 | 0 | 111.6 | I1432 I1435 L1449 V1451 Q1459 C1466 F1473 | I1432-L1462 HydrophobicContact CG1-CD1 3.52Å; I1435-L1462 HydrophobicContact CD1-CD1 3.73Å; L1449-L1462 HydrophobicContact CD2-CD1 3.89Å; L1449-L1462 HydrophobicContact CD2-CD2 3.99Å; L1449-L1462 HydrophobicContact CD2-CG 3.77Å; V1451-L1462 HydrophobicContact CG1-CD2 4.13Å; V1451-L1462 HydrophobicContact CG2-CD2 4.16Å; Q1459-L1462 HydrophobicContact CB-CB 4.44Å; Q1459-L1462 PolarHBondContact O-N 2.99Å; L1462-C1466 WeakPolarHBondContact O-CB 3.45Å; L1462-C1466 PolarHBondContact O-N 2.8Å; L1462-C1466 PolarHBondContact O-SG 2.88Å; L1462-C1466 VanDerWaalsContact O-SG 3.42Å; L1462-F1473 HydrophobicContact CB-CE2 4.44Å; L1462-F1473 HydrophobicContact CG-CE2 4.09Å |
| 1463 | H | 95.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.2 | -50.4 | 174 | 173.4 | -101.2 | 0 | 0 | 0 | 112.3 | Q1459 F1460 E1461 F1465 C1466 K1467 F1473 R1532 I1534 | Q1459-H1463 WeakPolarHBondContact O-CB 3.48Å; Q1459-H1463 PolarHBondContact O-N 3.34Å; F1460-H1463 WeakPolarHBondContact O-CB 3.37Å; F1460-H1463 PolarHBondContact O-N 2.94Å; E1461-H1463 VanDerWaalsContact C-N 3.34Å; H1463-F1465 VanDerWaalsContact C-N 3.28Å; H1463-F1465 PolarHBondContact O-N 3Å; H1463-C1466 PolarHBondContact O-N 3.08Å; H1463-C1466 VanDerWaalsContact O-N 3.14Å; H1463-K1467 VanDerWaalsContact CE1-CD 3.49Å; H1463-K1467 WeakPolarHBondContact CE1-CD 3.42Å; H1463-K1467 WeakPolarHBondContact CE1-CE 3.42Å; H1463-K1467 WeakPolarHBondContact NE2-CE 3.29Å; H1463-K1467 PolarHBondContact O-N 3.13Å; H1463-F1473 HydrophobicContact CB-CD2 4.25Å; H1463-F1473 HydrophobicContact CB-CE2 4.02Å; H1463-F1473 HydrophobicContact CB-CZ 4.25Å; H1463-F1473 AromaticContact CD2-CG 3.89Å; H1463-R1532 PolarHBondContact CE1-O 2.62Å; H1463-R1532 PolarHBondContact NE2-O 3.47Å; H1463-R1532 VanDerWaalsContact NE2-O 3.16Å; H1463-I1534 VanDerWaalsContact CD2-CG1 3.42Å; H1463-I1534 WeakPolarHBondContact CD2-CG1 3.34Å; H1463-I1534 WeakPolarHBondContact NE2-CG1 3.29Å |
| 1464 | E | 91.6 | Very high | 93.2 | Very high | 98 Ų | 98 | 43.6 Ų | 43.6 | 46% | 0.458 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65 | -34.5 | 177.1 | -68.5 | -46.9 | 115.5 | 0 | 0 | 112 | F1460 R1468 | F1460-E1464 WeakPolarHBondContact O-CG 3.07Å; F1460-E1464 PolarHBondContact O-N 3.39Å; E1464-R1468 WeakPolarHBondContact O-CB 3.37Å; E1464-R1468 VanDerWaalsContact O-CG 3.24Å; E1464-R1468 WeakPolarHBondContact O-CG 3.44Å; E1464-R1468 PolarHBondContact O-N 3.35Å |
| 1465 | F | 93.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 43.6 Ų | 43.6 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -51.4 | 168.8 | 178 | -96.9 | 0 | 0 | 0 | 111.6 | I1432 I1435 V1436 M1439 E1461 H1463 K1467 R1468 H1469 | I1432-F1465 HydrophobicContact CD1-CB 4.12Å; I1432-F1465 HydrophobicContact CD1-CG 4.3Å; I1432-F1465 HydrophobicContact CG1-CB 4.36Å; I1432-F1465 HydrophobicContact CG1-CD1 4.26Å; I1432-F1465 HydrophobicContact CG1-CG 4.18Å; I1432-F1465 HydrophobicContact CG2-CD1 4.18Å; I1432-F1465 HydrophobicContact CG2-CD2 3.76Å; I1432-F1465 HydrophobicContact CG2-CE1 4.12Å; I1432-F1465 HydrophobicContact CG2-CE2 3.71Å; I1432-F1465 HydrophobicContact CG2-CG 4Å; I1432-F1465 HydrophobicContact CG2-CZ 3.89Å; I1435-F1465 HydrophobicContact CB-CE1 4.08Å; I1435-F1465 HydrophobicContact CD1-CE1 4.48Å; I1435-F1465 HydrophobicContact CG2-CE1 3.9Å; V1436-F1465 HydrophobicContact CG2-CE2 3.92Å; V1436-F1465 HydrophobicContact CG2-CZ 3.53Å; M1439-F1465 HydrophobicContact CE-CE1 4.03Å; M1439-F1465 HydrophobicContact CE-CE2 4.46Å; M1439-F1465 HydrophobicContact CE-CZ 3.5Å; M1439-F1465 VanDerWaalsContact CE-CZ 3.5Å; E1461-F1465 VanDerWaalsContact O-CB 3.28Å; E1461-F1465 WeakPolarHBondContact O-CB 3.42Å; E1461-F1465 PolarHBondContact O-N 2.86Å; H1463-F1465 VanDerWaalsContact C-N 3.28Å; H1463-F1465 PolarHBondContact O-N 3Å; F1465-K1467 PolarHBondContact O-N 3.39Å; F1465-R1468 PolarHBondContact O-N 2.68Å; F1465-H1469 AromaticContact CD2-CD2 3.74Å; F1465-H1469 AromaticContact CD2-NE2 3.96Å; F1465-H1469 AromaticContact CE2-CD2 3.42Å; F1465-H1469 VanDerWaalsContact CE2-CD2 3.42Å; F1465-H1469 WeakPolarHBondContact CE2-CD2 3.38Å; F1465-H1469 AromaticContact CE2-NE2 3.4Å; F1465-H1469 WeakPolarHBondContact CE2-NE2 3.18Å; F1465-H1469 AromaticContact CZ-CD2 3.67Å; F1465-H1469 AromaticContact CZ-NE2 3.9Å; F1465-H1469 PolarHBondContact O-CD2 2.93Å; F1465-H1469 VanDerWaalsContact O-CD2 3.28Å; F1465-H1469 PolarHBondContact O-N 2.85Å; F1465-H1469 VanDerWaalsContact O-N 3.14Å |
| 1466 | C | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 177.5 | -80.7 | 0 | 0 | 0 | 0 | 112.9 | L1449 L1462 H1463 R1468 H1469 N1470 I1471 F1473 | L1449-C1466 VanDerWaalsContact CD2-SG 3.52Å; L1462-C1466 WeakPolarHBondContact O-CB 3.45Å; L1462-C1466 PolarHBondContact O-N 2.8Å; L1462-C1466 PolarHBondContact O-SG 2.88Å; L1462-C1466 VanDerWaalsContact O-SG 3.42Å; H1463-C1466 PolarHBondContact O-N 3.08Å; H1463-C1466 VanDerWaalsContact O-N 3.14Å; C1466-R1468 PolarHBondContact O-N 3.06Å; C1466-H1469 CarbonylContact O-C 3.4Å; C1466-H1469 PolarHBondContact O-N 3.16Å; C1466-H1469 VanDerWaalsContact O-N 3.14Å; C1466-N1470 PolarHBondContact O-N 2.79Å; C1466-N1470 VanDerWaalsContact O-N 3.11Å; C1466-I1471 CarbonylContact C-O 3.32Å; C1466-I1471 HydrophobicContact CB-CB 4.11Å; C1466-I1471 HydrophobicContact CB-CG2 4.49Å; C1466-I1471 WeakPolarHBondContact CB-O 3.41Å; C1466-I1471 PolarHBondContact O-N 2.92Å; C1466-F1473 HydrophobicContact CB-CD2 3.86Å |
| 1467 | K | 88.9 | Confident | 93.4 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.8 | -48.2 | 175 | -81.8 | -168.2 | 163.7 | -176.7 | 0 | 112 | H1463 F1465 H1469 N1470 R1532 D1533 | H1463-K1467 VanDerWaalsContact CE1-CD 3.49Å; H1463-K1467 WeakPolarHBondContact CE1-CD 3.42Å; H1463-K1467 WeakPolarHBondContact CE1-CE 3.42Å; H1463-K1467 WeakPolarHBondContact NE2-CE 3.29Å; H1463-K1467 PolarHBondContact O-N 3.13Å; F1465-K1467 PolarHBondContact O-N 3.39Å; K1467-H1469 PolarHBondContact O-N 2.86Å; K1467-N1470 PolarHBondContact O-N 3.42Å; K1467-N1470 VanDerWaalsContact O-N 3.12Å; K1467-R1532 WeakPolarHBondContact CE-O 3.49Å; K1467-R1532 PolarHBondContact NZ-O 2.86Å; K1467-D1533 IonicContact NZ-OD2 2.71Å; K1467-D1533 PolarHBondContact NZ-OD2 2.97Å |
| 1468 | R | 90.6 | Very high | 93.5 | Very high | 205 Ų | 205 | 44.1 Ų | 44.1 | 77% | 0.774 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -60.4 | -27.5 | 177.5 | -76.9 | 174.3 | 58.3 | -173.5 | -4 | 114.2 | E1464 F1465 C1466 | E1464-R1468 WeakPolarHBondContact O-CB 3.37Å; E1464-R1468 VanDerWaalsContact O-CG 3.24Å; E1464-R1468 WeakPolarHBondContact O-CG 3.44Å; E1464-R1468 PolarHBondContact O-N 3.35Å; F1465-R1468 PolarHBondContact O-N 2.68Å; C1466-R1468 PolarHBondContact O-N 3.06Å |
| 1469 | H | 89.5 | Confident | 93.4 | Very high | 64 Ų | 64 | 44.6 Ų | 44.6 | 30% | 0.296 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 6.4 | 179 | -74.5 | -79.6 | 0 | 0 | 0 | 114.1 | M1439 F1465 C1466 K1467 I1471 | M1439-H1469 HydrophobicContact CE-CB 4.36Å; M1439-H1469 HydrophobicContact SD-CB 4.06Å; F1465-H1469 AromaticContact CD2-CD2 3.74Å; F1465-H1469 AromaticContact CD2-NE2 3.96Å; F1465-H1469 AromaticContact CE2-CD2 3.42Å; F1465-H1469 VanDerWaalsContact CE2-CD2 3.42Å; F1465-H1469 WeakPolarHBondContact CE2-CD2 3.38Å; F1465-H1469 AromaticContact CE2-NE2 3.4Å; F1465-H1469 WeakPolarHBondContact CE2-NE2 3.18Å; F1465-H1469 AromaticContact CZ-CD2 3.67Å; F1465-H1469 AromaticContact CZ-NE2 3.9Å; F1465-H1469 PolarHBondContact O-CD2 2.93Å; F1465-H1469 VanDerWaalsContact O-CD2 3.28Å; F1465-H1469 PolarHBondContact O-N 2.85Å; F1465-H1469 VanDerWaalsContact O-N 3.14Å; C1466-H1469 CarbonylContact O-C 3.4Å; C1466-H1469 PolarHBondContact O-N 3.16Å; C1466-H1469 VanDerWaalsContact O-N 3.14Å; K1467-H1469 PolarHBondContact O-N 2.86Å; H1469-I1471 VanDerWaalsContact C-N 3.27Å; H1469-I1471 HydrophobicContact CB-CD1 4.25Å; H1469-I1471 HydrophobicContact CB-CG1 4.16Å; H1469-I1471 PolarHBondContact O-N 2.74Å |
| 1470 | N | 90.5 | Very high | 93.1 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 51% | 0.513 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 40 | -174.4 | -165.9 | 34 | 0 | 0 | 0 | 113.2 | C1466 K1467 | C1466-N1470 PolarHBondContact O-N 2.79Å; C1466-N1470 VanDerWaalsContact O-N 3.11Å; K1467-N1470 PolarHBondContact O-N 3.42Å; K1467-N1470 VanDerWaalsContact O-N 3.12Å |
| 1471 | I | 95.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | trans | -101.2 | 124.2 | 171.1 | -55.8 | -178.4 | 0 | 0 | 0 | 107.1 | I1435 M1439 P1446 L1449 C1466 H1469 | I1435-I1471 HydrophobicContact CG2-CD1 3.87Å; M1439-I1471 HydrophobicContact SD-CD1 3.83Å; P1446-I1471 HydrophobicContact CB-CD1 4.49Å; P1446-I1471 WeakPolarHBondContact O-CG1 3.38Å; L1449-I1471 HydrophobicContact CB-CG2 4.16Å; C1466-I1471 CarbonylContact C-O 3.32Å; C1466-I1471 HydrophobicContact CB-CB 4.11Å; C1466-I1471 HydrophobicContact CB-CG2 4.49Å; C1466-I1471 WeakPolarHBondContact CB-O 3.41Å; C1466-I1471 PolarHBondContact O-N 2.92Å; H1469-I1471 VanDerWaalsContact C-N 3.27Å; H1469-I1471 HydrophobicContact CB-CD1 4.25Å; H1469-I1471 HydrophobicContact CB-CG1 4.16Å; H1469-I1471 PolarHBondContact O-N 2.74Å | ||
| 1472 | S | 95.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 153.4 | 175.9 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | L1275 H1447 N1448 L1449 | L1275-S1472 WeakPolarHBondContact CD2-OG 3.27Å; H1447-S1472 PolarHBondContact O-N 3.09Å; H1447-S1472 VanDerWaalsContact O-N 3.11Å; H1447-S1472 PolarHBondContact O-OG 3.35Å; N1448-S1472 CarbonylContact C-O 3.56Å; N1448-S1472 WeakPolarHBondContact CA-O 3.47Å; N1448-S1472 WeakPolarHBondContact CA-OG 3.46Å; N1448-S1472 WeakPolarHBondContact CB-OG 3.38Å; N1448-S1472 PolarHBondContact ND2-O 2.84Å; N1448-S1472 PolarHBondContact ND2-OG 3.41Å; L1449-S1472 PolarHBondContact N-O 3.14Å |
| 1473 | F | 97.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123 | -169.7 | -160.8 | -82.7 | 0 | 0 | 0 | 111.4 | L1449 V1451 C1453 Q1459 L1462 H1463 C1466 I1534 I1535 | L1449-F1473 HydrophobicContact CD2-CD2 4.29Å; L1449-F1473 HydrophobicContact CD2-CE2 3.97Å; V1451-F1473 HydrophobicContact CG2-CE1 3.66Å; V1451-F1473 HydrophobicContact CG2-CE2 3.89Å; V1451-F1473 HydrophobicContact CG2-CZ 3.23Å; C1453-F1473 HydrophobicContact CB-CE1 4.03Å; Q1459-F1473 HydrophobicContact CB-CE1 4.31Å; Q1459-F1473 HydrophobicContact CB-CZ 3.64Å; Q1459-F1473 HydrophobicContact CG-CZ 4.16Å; L1462-F1473 HydrophobicContact CB-CE2 4.44Å; L1462-F1473 HydrophobicContact CG-CE2 4.09Å; H1463-F1473 HydrophobicContact CB-CD2 4.25Å; H1463-F1473 HydrophobicContact CB-CE2 4.02Å; H1463-F1473 HydrophobicContact CB-CZ 4.25Å; H1463-F1473 AromaticContact CD2-CG 3.89Å; C1466-F1473 HydrophobicContact CB-CD2 3.86Å; F1473-I1534 HydrophobicContact CD1-CD1 4.24Å; F1473-I1534 HydrophobicContact CD1-CG1 3.99Å; F1473-I1534 HydrophobicContact CD1-CG2 3.91Å; F1473-I1534 HydrophobicContact CE1-CD1 4.46Å; F1473-I1535 WeakPolarHBondContact O-CB 3.11Å; F1473-I1535 PolarHBondContact O-N 2.98Å |
| 1474 | T | 98.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121.3 | 179.1 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | N1448 L1449 Q1450 V1451 I1535 I1537 | N1448-T1474 PolarHBondContact ND2-OG1 2.83Å; N1448-T1474 PolarHBondContact OD1-OG1 3.15Å; L1449-T1474 PolarHBondContact O-N 2.76Å; Q1450-T1474 WeakPolarHBondContact CA-O 3.42Å; Q1450-T1474 HydrophobicContact CG-CG2 3.85Å; V1451-T1474 PolarHBondContact N-O 2.89Å; T1474-I1535 CarbonylContact C-O 3.46Å; T1474-I1535 WeakPolarHBondContact CA-O 3.09Å; T1474-I1535 HydrophobicContact CG2-CB 4.31Å; T1474-I1535 HydrophobicContact CG2-CG2 4.18Å; T1474-I1537 HydrophobicContact CG2-CD1 4.05Å; T1474-I1537 HydrophobicContact CG2-CG1 3.95Å; T1474-I1537 HydrophobicContact CG2-CG2 3.96Å |
| 1475 | A | 97.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 108.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1451 C1453 P1478 L1529 I1534 I1535 V1536 I1537 | V1451-A1475 WeakPolarHBondContact O-CA 3.48Å; C1453-A1475 HydrophobicContact CB-CB 3.71Å; A1475-P1478 HydrophobicContact CB-CB 4.31Å; A1475-L1529 HydrophobicContact CB-CD1 3.88Å; A1475-I1534 HydrophobicContact CB-CG2 3.61Å; A1475-I1535 PolarHBondContact N-O 3.35Å; A1475-V1536 HydrophobicContact CB-CG1 4.4Å; A1475-I1537 VanDerWaalsContact O-CG1 3.24Å; A1475-I1537 WeakPolarHBondContact O-CG1 2.84Å; A1475-I1537 PolarHBondContact O-N 3.42Å |
| 1476 | Y | 95.2 | Very high | 87.6 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 13% | 0.129 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 155.2 | 160.5 | 86.2 | -106.6 | 0 | 0 | 0 | 110.8 | N1429 Q1450 V1451 E1452 C1453 P1478 F1575 | N1429-Y1476 WeakPolarHBondContact OD1-CE1 3.3Å; N1429-Y1476 PolarHBondContact OD1-OH 3.04Å; Q1450-Y1476 HydrophobicContact CG-CD1 4.16Å; V1451-Y1476 VanDerWaalsContact C-CE1 3.44Å; V1451-Y1476 PolarHBondContact O-N 2.88Å; E1452-Y1476 WeakPolarHBondContact CA-O 3.36Å; E1452-Y1476 HydrophobicContact CB-CD2 4.49Å; E1452-Y1476 HydrophobicContact CB-CE1 4.07Å; E1452-Y1476 HydrophobicContact CB-CE2 3.88Å; E1452-Y1476 HydrophobicContact CG-CE2 4.2Å; E1452-Y1476 VanDerWaalsContact N-CD1 3.3Å; C1453-Y1476 PolarHBondContact N-O 2.93Å; C1453-Y1476 VanDerWaalsContact N-O 3.16Å; Y1476-P1478 VanDerWaalsContact C-N 3.32Å; Y1476-F1575 HydrophobicContact CE2-CD2 4.24Å; Y1476-F1575 HydrophobicContact CE2-CG 4.42Å |
| 1477 | S | 91.8 | Very high | 86 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 49.7 | 42.5 | -169.1 | -64.7 | 0 | 0 | 0 | 0 | 114.2 | H1454 I1479 G1480 S1481 F1575 | H1454-S1477 PolarHBondContact CD2-O 2.95Å; S1477-I1479 PolarHBondContact O-N 3.26Å; S1477-G1480 PolarHBondContact O-N 3.14Å; S1477-S1481 WeakPolarHBondContact CB-OG 3.29Å; S1477-S1481 WeakPolarHBondContact OG-CB 3.45Å; S1477-S1481 PolarHBondContact OG-OG 2.92Å; S1477-F1575 WeakPolarHBondContact OG-CE2 3.45Å |
| 1478 | P | 94.3 | Very high | 84.3 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.5 | -176.2 | 27.5 | -35.9 | 0 | 0 | 0 | 113.5 | C1453 H1454 A1475 Y1476 L1526 L1529 V1536 P1538 | C1453-P1478 WeakPolarHBondContact O-CA 3.37Å; H1454-P1478 WeakPolarHBondContact CB-O 3.49Å; A1475-P1478 HydrophobicContact CB-CB 4.31Å; Y1476-P1478 VanDerWaalsContact C-N 3.32Å; P1478-L1526 HydrophobicContact CB-CD2 3.93Å; P1478-L1526 HydrophobicContact CG-CD2 3.76Å; P1478-L1529 HydrophobicContact CB-CD1 3.53Å; P1478-V1536 HydrophobicContact CB-CG1 4.32Å; P1478-P1538 HydrophobicContact CG-CB 4.48Å |
| 1479 | I | 92.2 | Very high | 82.3 | Confident | 16 Ų | 16 | 34.6 Ų | 34.6 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 25.5 | 176.9 | 63.4 | -178.3 | 0 | 0 | 0 | 111.8 | S1477 S1481 L1503 A1522 L1525 L1526 P1538 | S1477-I1479 PolarHBondContact O-N 3.26Å; I1479-S1481 PolarHBondContact O-N 2.97Å; I1479-L1503 HydrophobicContact CB-CB 4.17Å; I1479-L1503 HydrophobicContact CB-CD1 4.14Å; I1479-L1503 HydrophobicContact CB-CD2 4.05Å; I1479-L1503 HydrophobicContact CB-CG 4.36Å; I1479-L1503 HydrophobicContact CD1-CD2 4.17Å; I1479-L1503 HydrophobicContact CG1-CD2 4.34Å; I1479-L1503 HydrophobicContact CG2-CD1 4.25Å; I1479-L1503 VanDerWaalsContact O-CB 3.3Å; I1479-L1503 WeakPolarHBondContact O-CB 3.48Å; I1479-A1522 HydrophobicContact CG2-CB 3.92Å; I1479-L1525 HydrophobicContact CG2-CB 4.35Å; I1479-L1525 HydrophobicContact CG2-CD1 4.4Å; I1479-L1526 HydrophobicContact CG2-CD2 4.4Å; I1479-L1526 HydrophobicContact CG2-CG 4.23Å; I1479-P1538 HydrophobicContact CD1-CB 4.28Å |
| 1480 | G | 86.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | 71.8 | 0.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | S1477 | S1477-G1480 PolarHBondContact O-N 3.14Š| ||
| 1481 | S | 84.9 | Confident | 78.2 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | trans | 48.2 | 64.7 | 176.5 | -68.1 | 0 | 0 | 0 | 0 | 114.3 | S1477 I1479 G1483 R1484 | S1477-S1481 WeakPolarHBondContact CB-OG 3.29Å; S1477-S1481 WeakPolarHBondContact OG-CB 3.45Å; S1477-S1481 PolarHBondContact OG-OG 2.92Å; I1479-S1481 PolarHBondContact O-N 2.97Å; S1481-G1483 PolarHBondContact O-N 2.98Å; S1481-R1484 VanDerWaalsContact O-CB 3.27Å; S1481-R1484 WeakPolarHBondContact O-CB 3.47Å; S1481-R1484 WeakPolarHBondContact O-CD 3.28Å; S1481-R1484 VanDerWaalsContact O-CG 3.27Å; S1481-R1484 WeakPolarHBondContact O-CG 3.28Å; S1481-R1484 PolarHBondContact O-N 2.85Å | ||
| 1482 | P | 77.9 | Confident | 75.9 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 28% | 0.279 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -56 | -35.8 | -178.3 | 20.7 | -32.7 | 0 | 0 | 0 | 113.3 | R1484 E1501 I1812 | P1482-R1484 PolarHBondContact O-N 3Å; P1482-E1501 WeakPolarHBondContact CA-OE1 3.41Å; P1482-E1501 WeakPolarHBondContact CB-OE1 3.46Å; P1482-I1812 HydrophobicContact CG-CD1 4.44Å; P1482-I1812 HydrophobicContact CG-CG2 4.13Å |
| 1483 | G | 74.8 | Confident | 73.6 | Confident | 39 Ų | 39 | 40.1 Ų | 40.1 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.4 | 0.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q1290 S1481 G1485 S1486 | Q1290-G1483 PolarHBondContact NE2-O 3.4Å; Q1290-G1483 PolarHBondContact OE1-O 2.75Å; S1481-G1483 PolarHBondContact O-N 2.98Å; G1483-G1485 PolarHBondContact O-N 2.73Å; G1483-S1486 PolarHBondContact O-OG 3.2Å |
| 1484 | R | 73.4 | Confident | 71.4 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 4% | 0.038 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -60.4 | -27 | 177.9 | 70.4 | -167.3 | -175 | -72 | 7.4 | 114.1 | W1289 S1481 P1482 S1486 H1487 I1496 Q1499 E1501 F1575 | W1289-R1484 HydrophobicContact CH2-CB 3.98Å; W1289-R1484 HydrophobicContact CZ3-CB 4.27Å; S1481-R1484 VanDerWaalsContact O-CB 3.27Å; S1481-R1484 WeakPolarHBondContact O-CB 3.47Å; S1481-R1484 WeakPolarHBondContact O-CD 3.28Å; S1481-R1484 VanDerWaalsContact O-CG 3.27Å; S1481-R1484 WeakPolarHBondContact O-CG 3.28Å; S1481-R1484 PolarHBondContact O-N 2.85Å; P1482-R1484 PolarHBondContact O-N 3Å; R1484-S1486 PolarHBondContact O-N 2.83Å; R1484-S1486 VanDerWaalsContact O-N 3.1Å; R1484-H1487 WeakPolarHBondContact O-CB 3.38Å; R1484-H1487 PolarHBondContact O-N 3.06Å; R1484-H1487 VanDerWaalsContact O-N 3.11Å; R1484-I1496 HydrophobicContact CG-CD1 4.34Å; R1484-Q1499 VanDerWaalsContact NE-OE1 3.13Å; R1484-E1501 IonicContact NH1-OE1 3.27Å; R1484-E1501 PolarHBondContact NH1-OE1 2.74Å; R1484-F1575 HydrophobicContact CB-CE1 4.32Å; R1484-F1575 HydrophobicContact CB-CZ 4.04Å |
| 1485 | G | 67.6 | Low | 69.6 | Low | 42 Ų | 42 | 45 Ų | 45 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -67.5 | -5.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G1483 | G1483-G1485 PolarHBondContact O-N 2.73Š|
| 1486 | S | 63.9 | Low | 67.8 | Low | 103 Ų | 103 | 46.9 Ų | 46.9 | 72% | 0.72 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -111 | 18.1 | 173.6 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | G1483 R1484 | G1483-S1486 PolarHBondContact O-OG 3.2Å; R1484-S1486 PolarHBondContact O-N 2.83Å; R1484-S1486 VanDerWaalsContact O-N 3.1Å |
| 1487 | H | 58.1 | Low | 66.3 | Low | 61 Ų | 61 | 50.3 Ų | 50.3 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -97.6 | 132.1 | 175.7 | -171.5 | -90 | 0 | 0 | 0 | 108.9 | W1289 R1484 L1489 S1490 | W1289-H1487 HydrophobicContact CZ2-CB 4.32Å; W1289-H1487 AromaticContact CZ2-CD2 3.56Å; W1289-H1487 AromaticContact CZ2-CG 3.91Å; R1484-H1487 WeakPolarHBondContact O-CB 3.38Å; R1484-H1487 PolarHBondContact O-N 3.06Å; R1484-H1487 VanDerWaalsContact O-N 3.11Å; H1487-L1489 PolarHBondContact O-N 2.95Å; H1487-S1490 WeakPolarHBondContact O-CB 3.1Å; H1487-S1490 PolarHBondContact O-N 3.11Å; H1487-S1490 PolarHBondContact O-OG 3.34Å |
| 1488 | P | 53.6 | Low | 65.2 | Low | 106 Ų | 106 | 57.7 Ų | 57.7 | 69% | 0.688 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -50.1 | -36.1 | -170.7 | -30.9 | 35.8 | 0 | 0 | 0 | 115.7 | S1490 H1491 | P1488-S1490 PolarHBondContact O-N 3.04Å; P1488-S1490 VanDerWaalsContact O-N 3.1Å; P1488-H1491 PolarHBondContact O-CD2 3.34Å |
| 1489 | L | 49 | Very low | 64 | Low | 59 Ų | 59 | 58.6 Ų | 58.6 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -67.1 | -3.5 | 176.2 | -51.6 | 179 | 0 | 0 | 0 | 114.8 | H1487 H1491 I1492 W1579 | H1487-L1489 PolarHBondContact O-N 2.95Å; L1489-H1491 PolarHBondContact O-N 3.43Å; L1489-I1492 HydrophobicContact CB-CD1 4.2Å; L1489-I1492 HydrophobicContact CD2-CD1 3.67Å; L1489-I1492 PolarHBondContact O-N 3.13Å; L1489-W1579 HydrophobicContact CD1-CZ2 4.11Å; L1489-W1579 HydrophobicContact CD2-CZ2 4.01Å |
| 1490 | S | 50.1 | Low | 63.2 | Low | 19 Ų | 19 | 65 Ų | 65 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -62 | -20.2 | 178.9 | 53.1 | 0 | 0 | 0 | 0 | 114 | H1487 P1488 | H1487-S1490 WeakPolarHBondContact O-CB 3.1Å; H1487-S1490 PolarHBondContact O-N 3.11Å; H1487-S1490 PolarHBondContact O-OG 3.34Å; P1488-S1490 PolarHBondContact O-N 3.04Å; P1488-S1490 VanDerWaalsContact O-N 3.1Å |
| 1491 | H | 43.9 | Very low | 62.9 | Low | 161 Ų | 161 | 67.1 Ų | 67.1 | 75% | 0.745 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -89.5 | -5.7 | -177.6 | -53.7 | -62.9 | 0 | 0 | 0 | 113.1 | P1488 L1489 G1493 | P1488-H1491 PolarHBondContact O-CD2 3.34Å; L1489-H1491 PolarHBondContact O-N 3.43Å; H1491-G1493 PolarHBondContact O-N 3.3Å; H1491-G1493 VanDerWaalsContact O-N 3.1Å |
| 1492 | I | 46.5 | Very low | 63.1 | Low | 39 Ų | 39 | 66.2 Ų | 66.2 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -81.8 | 92 | -177.4 | -56.9 | -179.8 | 0 | 0 | 0 | 110.1 | L1398 L1489 V1494 W1579 L1582 | L1398-I1492 HydrophobicContact CD2-CD1 3.96Å; L1489-I1492 HydrophobicContact CB-CD1 4.2Å; L1489-I1492 HydrophobicContact CD2-CD1 3.67Å; L1489-I1492 PolarHBondContact O-N 3.13Å; I1492-V1494 PolarHBondContact O-N 3.46Å; I1492-W1579 HydrophobicContact CD1-CZ2 4.48Å; I1492-L1582 HydrophobicContact CG2-CD1 4.28Å; I1492-L1582 HydrophobicContact CG2-CD2 3.76Å |
| 1493 | G | 47.5 | Very low | 63.6 | Low | 75 Ų | 75 | 64.5 Ų | 64.5 | 77% | 0.773 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 69.9 | -12 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | H1491 | H1491-G1493 PolarHBondContact O-N 3.3Å; H1491-G1493 VanDerWaalsContact O-N 3.1Å |
| 1494 | V | 52.1 | Low | 64.1 | Low | 39 Ų | 39 | 63.7 Ų | 63.7 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | trans | -112.7 | 112 | -175.2 | -173.8 | 0 | 0 | 0 | 0 | 111.2 | I1492 I1496 Q1499 P1576 L1578 | I1492-V1494 PolarHBondContact O-N 3.46Å; V1494-I1496 PolarHBondContact O-N 2.98Å; V1494-Q1499 HydrophobicContact CG1-CG 4.28Å; V1494-P1576 HydrophobicContact CG2-CG 3.66Å; V1494-L1578 HydrophobicContact CG2-CD1 3.25Å | ||
| 1495 | D | 60.8 | Low | 64.9 | Low | 68 Ų | 68 | 63.5 Ų | 63.5 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | trans | -71.2 | 94.9 | 167 | -174.1 | -10.4 | 0 | 0 | 0 | 110.4 | S1497 K1498 | D1495-S1497 PolarHBondContact O-N 2.76Å; D1495-S1497 VanDerWaalsContact OD1-CB 3.28Å; D1495-S1497 WeakPolarHBondContact OD1-CB 3.3Å; D1495-S1497 PolarHBondContact OD1-N 2.64Å; D1495-S1497 PolarHBondContact OD1-OG 2.82Å; D1495-S1497 PolarHBondContact OD2-OG 3.35Å; D1495-K1498 HydrophobicContact CB-CB 4.48Å; D1495-K1498 HydrophobicContact CB-CD 4.21Å; D1495-K1498 HydrophobicContact CB-CG 4.28Å; D1495-K1498 PolarHBondContact O-N 2.99Å; D1495-K1498 VanDerWaalsContact O-N 3.08Å; D1495-K1498 WeakPolarHBondContact OD2-CE 3.35Å; D1495-K1498 WeakPolarHBondContact OD2-CG 3.12Å; D1495-K1498 IonicContact OD2-NZ 2.77Å; D1495-K1498 PolarHBondContact OD2-NZ 2.89Å | ||
| 1496 | I | 59.1 | Low | 65.8 | Low | 41 Ų | 41 | 64.2 Ų | 64.2 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -58 | -28.4 | 178.6 | -67.5 | 176.3 | 0 | 0 | 0 | 111.8 | R1484 V1494 K1498 Q1499 | R1484-I1496 HydrophobicContact CG-CD1 4.34Å; V1494-I1496 PolarHBondContact O-N 2.98Å; I1496-K1498 PolarHBondContact O-N 3.32Å; I1496-Q1499 PolarHBondContact O-N 3.01Å; I1496-Q1499 VanDerWaalsContact O-N 3.12Å |
| 1497 | S | 63.6 | Low | 67.1 | Low | 104 Ų | 104 | 61.1 Ų | 61.1 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -67.3 | -24.3 | 179 | 79.2 | 0 | 0 | 0 | 0 | 113 | D1495 | D1495-S1497 PolarHBondContact O-N 2.76Å; D1495-S1497 VanDerWaalsContact OD1-CB 3.28Å; D1495-S1497 WeakPolarHBondContact OD1-CB 3.3Å; D1495-S1497 PolarHBondContact OD1-N 2.64Å; D1495-S1497 PolarHBondContact OD1-OG 2.82Å; D1495-S1497 PolarHBondContact OD2-OG 3.35Å |
| 1498 | K | 68.1 | Low | 68.5 | Low | 166 Ų | 166 | 58.2 Ų | 58.2 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -86.2 | -9.5 | 175.2 | -65.5 | -177.4 | 176.7 | 100.7 | 0 | 113.5 | D1495 I1496 | D1495-K1498 HydrophobicContact CB-CB 4.48Å; D1495-K1498 HydrophobicContact CB-CD 4.21Å; D1495-K1498 HydrophobicContact CB-CG 4.28Å; D1495-K1498 PolarHBondContact O-N 2.99Å; D1495-K1498 VanDerWaalsContact O-N 3.08Å; D1495-K1498 WeakPolarHBondContact OD2-CE 3.35Å; D1495-K1498 WeakPolarHBondContact OD2-CG 3.12Å; D1495-K1498 IonicContact OD2-NZ 2.77Å; D1495-K1498 PolarHBondContact OD2-NZ 2.89Å; I1496-K1498 PolarHBondContact O-N 3.32Å |
| 1499 | Q | 69 | Low | 70.1 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -81.4 | 138.3 | 176.3 | -63.5 | -167 | -32.5 | 0 | 0 | 111.5 | R1484 V1494 I1496 R1573 | R1484-Q1499 VanDerWaalsContact NE-OE1 3.13Å; V1494-Q1499 HydrophobicContact CG1-CG 4.28Å; I1496-Q1499 PolarHBondContact O-N 3.01Å; I1496-Q1499 VanDerWaalsContact O-N 3.12Å; Q1499-R1573 PolarHBondContact NE2-O 3.34Å |
| 1500 | R | 75.8 | Confident | 71.9 | Confident | 150 Ų | 150 | 55.4 Ų | 55.4 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 143.5 | 167.7 | -71 | -172.3 | 177.8 | -154.1 | 2.9 | 109.3 | Y1456 | Y1456-R1500 HydrophobicContact CD2-CB 4.3Å; Y1456-R1500 HydrophobicContact CE2-CB 3.54Å; Y1456-R1500 WeakPolarHBondContact CE2-O 3.39Å |
| 1501 | E | 81.2 | Confident | 73.7 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 125 | 177.7 | -53.8 | -166.6 | 121.1 | 0 | 0 | 111.4 | Y1456 P1482 R1484 L1503 N1504 D1505 | Y1456-E1501 PolarHBondContact OH-O 2.9Å; P1482-E1501 WeakPolarHBondContact CA-OE1 3.41Å; P1482-E1501 WeakPolarHBondContact CB-OE1 3.46Å; R1484-E1501 IonicContact NH1-OE1 3.27Å; R1484-E1501 PolarHBondContact NH1-OE1 2.74Å; E1501-L1503 VanDerWaalsContact C-N 3.26Å; E1501-L1503 PolarHBondContact O-N 3.47Å; E1501-N1504 HydrophobicContact CB-CB 4.24Å; E1501-N1504 CarbonylContact O-C 2.87Å; E1501-N1504 PolarHBondContact O-N 3.21Å; E1501-N1504 PolarHBondContact OE2-ND2 3.12Å; E1501-D1505 PolarHBondContact O-N 3.12Å |
| 1502 | P | 88.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -49 | -43.2 | 175.8 | -36.3 | 37.3 | 0 | 0 | 0 | 114.2 | H1454 I1455 Y1456 N1504 D1505 L1525 I1574 | H1454-P1502 HydrophobicContact CB-CB 4.17Å; H1454-P1502 HydrophobicContact CB-CG 4.08Å; H1454-P1502 WeakPolarHBondContact ND1-CG 3.38Å; I1455-P1502 HydrophobicContact CG2-CB 3.87Å; I1455-P1502 HydrophobicContact CG2-CG 4.47Å; Y1456-P1502 HydrophobicContact CD2-CG 3.67Å; Y1456-P1502 HydrophobicContact CE2-CB 4.49Å; Y1456-P1502 HydrophobicContact CE2-CG 3.98Å; Y1456-P1502 VanDerWaalsContact CE2-N 3.31Å; Y1456-P1502 HydrophobicContact CG-CG 4.32Å; P1502-N1504 PolarHBondContact O-N 2.76Å; P1502-D1505 VanDerWaalsContact O-CB 3.22Å; P1502-D1505 WeakPolarHBondContact O-CB 3.47Å; P1502-D1505 PolarHBondContact O-N 2.92Å; P1502-D1505 VanDerWaalsContact O-N 3.14Å; P1502-L1525 WeakPolarHBondContact O-CD1 3.4Å; P1502-I1574 HydrophobicContact CG-CD1 3.54Å |
| 1503 | L | 88.7 | Confident | 77.1 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -70.7 | -17.6 | -177.3 | -173.9 | 55.8 | 0 | 0 | 0 | 113.6 | I1479 E1501 Q1521 A1522 L1525 I1812 | I1479-L1503 HydrophobicContact CB-CB 4.17Å; I1479-L1503 HydrophobicContact CB-CD1 4.14Å; I1479-L1503 HydrophobicContact CB-CD2 4.05Å; I1479-L1503 HydrophobicContact CB-CG 4.36Å; I1479-L1503 HydrophobicContact CD1-CD2 4.17Å; I1479-L1503 HydrophobicContact CG1-CD2 4.34Å; I1479-L1503 HydrophobicContact CG2-CD1 4.25Å; I1479-L1503 VanDerWaalsContact O-CB 3.3Å; I1479-L1503 WeakPolarHBondContact O-CB 3.48Å; E1501-L1503 VanDerWaalsContact C-N 3.26Å; E1501-L1503 PolarHBondContact O-N 3.47Å; L1503-Q1521 HydrophobicContact CD1-CB 3.79Å; L1503-Q1521 WeakPolarHBondContact O-CB 3.49Å; L1503-Q1521 PolarHBondContact O-NE2 3.32Å; L1503-Q1521 VanDerWaalsContact O-NE2 3.09Å; L1503-A1522 VanDerWaalsContact CD1-CA 3.45Å; L1503-A1522 HydrophobicContact CD1-CB 3.61Å; L1503-L1525 HydrophobicContact CB-CD1 4.41Å; L1503-L1525 HydrophobicContact CD1-CD1 3.99Å; L1503-I1812 HydrophobicContact CB-CD1 3.8Å; L1503-I1812 HydrophobicContact CD2-CB 4.14Å; L1503-I1812 HydrophobicContact CD2-CD1 3.57Å; L1503-I1812 HydrophobicContact CD2-CG1 3.59Å; L1503-I1812 HydrophobicContact CD2-CG2 3.45Å; L1503-I1812 VanDerWaalsContact CD2-CG2 3.45Å; L1503-I1812 HydrophobicContact CG-CD1 3.48Å; L1503-I1812 VanDerWaalsContact CG-CD1 3.48Å; L1503-I1812 HydrophobicContact CG-CG1 3.65Å; L1503-I1812 HydrophobicContact CG-CG2 4.46Å |
| 1504 | N | 86.1 | Confident | 78.6 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -102.3 | 14.8 | 175.1 | -81.7 | -43.1 | 0 | 0 | 0 | 112.8 | E1501 P1502 K1809 I1812 | E1501-N1504 HydrophobicContact CB-CB 4.24Å; E1501-N1504 CarbonylContact O-C 2.87Å; E1501-N1504 PolarHBondContact O-N 3.21Å; E1501-N1504 PolarHBondContact OE2-ND2 3.12Å; P1502-N1504 PolarHBondContact O-N 2.76Å; N1504-K1809 HydrophobicContact CB-CG 3.81Å; N1504-I1812 VanDerWaalsContact ND2-CD1 3.29Å; N1504-I1812 WeakPolarHBondContact ND2-CD1 3.32Å |
| 1505 | D | 89.8 | Confident | 79.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | trans | -61.8 | 134.4 | 177 | -179.5 | -88.4 | 0 | 0 | 0 | 111.9 | I1455 Y1456 E1501 P1502 L1507 A1508 K1509 | I1455-D1505 HydrophobicContact CG2-CB 4.43Å; Y1456-D1505 HydrophobicContact CE1-CB 4.43Å; Y1456-D1505 WeakPolarHBondContact CE1-OD2 3.39Å; Y1456-D1505 PolarHBondContact OH-OD2 2.71Å; E1501-D1505 PolarHBondContact O-N 3.12Å; P1502-D1505 VanDerWaalsContact O-CB 3.22Å; P1502-D1505 WeakPolarHBondContact O-CB 3.47Å; P1502-D1505 PolarHBondContact O-N 2.92Å; P1502-D1505 VanDerWaalsContact O-N 3.14Å; D1505-L1507 PolarHBondContact O-N 2.84Å; D1505-L1507 WeakPolarHBondContact OD1-CA 3.1Å; D1505-L1507 VanDerWaalsContact OD1-CB 3.29Å; D1505-L1507 WeakPolarHBondContact OD1-CB 3.46Å; D1505-L1507 PolarHBondContact OD1-N 3.45Å; D1505-A1508 HydrophobicContact CB-CB 4.07Å; D1505-A1508 PolarHBondContact O-N 3.04Å; D1505-A1508 PolarHBondContact OD1-N 3.06Å; D1505-K1509 PolarHBondContact O-N 3.15Å | ||
| 1506 | P | 87.3 | Confident | 79.6 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | -178.2 | -23.6 | 34.5 | 0 | 0 | 0 | 114.7 | K1509 Q1510 | P1506-K1509 PolarHBondContact O-N 2.72Å; P1506-Q1510 PolarHBondContact O-N 2.73Å |
| 1507 | L | 91.5 | Very high | 79.4 | Confident | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.199 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.5 | -42 | -180 | 175.5 | 67.2 | 0 | 0 | 0 | 110.2 | D1505 K1509 Q1510 I1511 A1564 L1565 V1568 | D1505-L1507 PolarHBondContact O-N 2.84Å; D1505-L1507 WeakPolarHBondContact OD1-CA 3.1Å; D1505-L1507 VanDerWaalsContact OD1-CB 3.29Å; D1505-L1507 WeakPolarHBondContact OD1-CB 3.46Å; D1505-L1507 PolarHBondContact OD1-N 3.45Å; L1507-K1509 PolarHBondContact O-N 2.99Å; L1507-Q1510 PolarHBondContact O-N 3.27Å; L1507-I1511 HydrophobicContact CD1-CD1 3.86Å; L1507-I1511 HydrophobicContact CD1-CG1 4.09Å; L1507-I1511 HydrophobicContact CD2-CD1 4.5Å; L1507-I1511 HydrophobicContact CG-CD1 3.85Å; L1507-I1511 HydrophobicContact CG-CG1 4.43Å; L1507-I1511 WeakPolarHBondContact O-CG1 3.47Å; L1507-I1511 PolarHBondContact O-N 3.2Å; L1507-A1564 HydrophobicContact CD1-CB 4.23Å; L1507-A1564 VanDerWaalsContact CD2-C 3.41Å; L1507-A1564 HydrophobicContact CD2-CB 3.71Å; L1507-A1564 VanDerWaalsContact CD2-O 3.31Å; L1507-A1564 WeakPolarHBondContact CD2-O 3.04Å; L1507-L1565 HydrophobicContact CD2-CD2 3.96Å; L1507-L1565 HydrophobicContact CD2-CG 4.3Å; L1507-L1565 HydrophobicContact CG-CD2 4.1Å; L1507-V1568 HydrophobicContact CD2-CG2 3.91Å |
| 1508 | A | 87.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.6 | -36.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1505 A1512 Q1521 L1525 | D1505-A1508 HydrophobicContact CB-CB 4.07Å; D1505-A1508 PolarHBondContact O-N 3.04Å; D1505-A1508 PolarHBondContact OD1-N 3.06Å; A1508-A1512 WeakPolarHBondContact O-CB 2.95Å; A1508-A1512 PolarHBondContact O-N 3.12Å; A1508-Q1521 HydrophobicContact CB-CB 4.27Å; A1508-Q1521 HydrophobicContact CB-CG 4.45Å; A1508-L1525 HydrophobicContact CB-CD1 4.4Å; A1508-L1525 HydrophobicContact CB-CD2 4.03Å; A1508-L1525 HydrophobicContact CB-CG 4.05Å |
| 1509 | K | 86.4 | Confident | 77.6 | Confident | 64 Ų | 64 | 44 Ų | 44 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -73.3 | -41.6 | 174.3 | -172.8 | 176.9 | 163.4 | -137.7 | 0 | 113 | D1505 P1506 L1507 I1511 A1512 T1513 Q1521 S1807 A1808 | D1505-K1509 PolarHBondContact O-N 3.15Å; P1506-K1509 PolarHBondContact O-N 2.72Å; L1507-K1509 PolarHBondContact O-N 2.99Å; K1509-I1511 VanDerWaalsContact C-N 3.35Å; K1509-I1511 PolarHBondContact O-N 3.22Å; K1509-A1512 WeakPolarHBondContact O-CB 3.05Å; K1509-A1512 PolarHBondContact O-N 3.22Å; K1509-T1513 PolarHBondContact O-N 2.7Å; K1509-T1513 PolarHBondContact O-OG1 3.27Å; K1509-Q1521 HydrophobicContact CB-CG 3.69Å; K1509-Q1521 HydrophobicContact CG-CG 4.26Å; K1509-S1807 WeakPolarHBondContact CD-O 3.47Å; K1509-S1807 PolarHBondContact NZ-O 3.27Å; K1509-A1808 WeakPolarHBondContact CD-O 3.48Å; K1509-A1808 VanDerWaalsContact CE-O 3.25Å; K1509-A1808 WeakPolarHBondContact CE-O 3.42Å; K1509-A1808 PolarHBondContact NZ-O 2.7Å |
| 1510 | Q | 86.9 | Confident | 77.6 | Confident | 42 Ų | 42 | 44.3 Ų | 44.3 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.5 | -49.6 | 177.2 | -177.7 | -155.4 | -18.1 | 0 | 0 | 110.9 | P1506 L1507 A1512 T1513 K1514 F1804 T1805 | P1506-Q1510 PolarHBondContact O-N 2.73Å; L1507-Q1510 PolarHBondContact O-N 3.27Å; Q1510-A1512 VanDerWaalsContact C-N 3.27Å; Q1510-A1512 PolarHBondContact O-N 3.07Å; Q1510-T1513 WeakPolarHBondContact O-CB 3.12Å; Q1510-T1513 PolarHBondContact O-N 3.1Å; Q1510-T1513 VanDerWaalsContact O-N 3.11Å; Q1510-K1514 WeakPolarHBondContact O-CB 3.49Å; Q1510-K1514 PolarHBondContact O-N 3.37Å; Q1510-F1804 PolarHBondContact NE2-O 3.38Å; Q1510-F1804 PolarHBondContact OE1-O 3.07Å; Q1510-T1805 WeakPolarHBondContact CG-O 2.75Å; Q1510-T1805 VanDerWaalsContact NE2-N 3.13Å; Q1510-T1805 PolarHBondContact OE1-O 3.12Å; Q1510-T1805 VanDerWaalsContact OE1-O 3.11Å |
| 1511 | I | 87.2 | Confident | 77.9 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | -179.4 | -64 | 172.5 | 0 | 0 | 0 | 110.2 | L1507 K1509 T1513 K1514 H1515 I1524 L1557 E1561 L1565 | L1507-I1511 HydrophobicContact CD1-CD1 3.86Å; L1507-I1511 HydrophobicContact CD1-CG1 4.09Å; L1507-I1511 HydrophobicContact CD2-CD1 4.5Å; L1507-I1511 HydrophobicContact CG-CD1 3.85Å; L1507-I1511 HydrophobicContact CG-CG1 4.43Å; L1507-I1511 WeakPolarHBondContact O-CG1 3.47Å; L1507-I1511 PolarHBondContact O-N 3.2Å; K1509-I1511 VanDerWaalsContact C-N 3.35Å; K1509-I1511 PolarHBondContact O-N 3.22Å; I1511-T1513 VanDerWaalsContact C-N 3.34Å; I1511-T1513 PolarHBondContact O-N 3.2Å; I1511-K1514 PolarHBondContact O-N 3.04Å; I1511-H1515 PolarHBondContact O-CD2 3.31Å; I1511-H1515 PolarHBondContact O-N 2.9Å; I1511-I1524 HydrophobicContact CB-CG2 4.01Å; I1511-I1524 HydrophobicContact CG2-CD1 4.08Å; I1511-I1524 HydrophobicContact CG2-CG1 4.32Å; I1511-I1524 HydrophobicContact CG2-CG2 3.74Å; I1511-L1557 HydrophobicContact CG2-CD2 3.72Å; I1511-E1561 HydrophobicContact CD1-CB 4.03Å; I1511-E1561 HydrophobicContact CD1-CG 4.05Å; I1511-E1561 HydrophobicContact CG1-CG 4.09Å; I1511-E1561 HydrophobicContact CG2-CB 4.35Å; I1511-E1561 HydrophobicContact CG2-CG 4.01Å; I1511-L1565 HydrophobicContact CD1-CD1 3.91Å; I1511-L1565 HydrophobicContact CD1-CD2 3.96Å; I1511-L1565 HydrophobicContact CD1-CG 3.75Å |
| 1512 | A | 82 | Confident | 78.3 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1508 K1509 Q1510 H1515 A1519 I1524 | A1508-A1512 WeakPolarHBondContact O-CB 2.95Å; A1508-A1512 PolarHBondContact O-N 3.12Å; K1509-A1512 WeakPolarHBondContact O-CB 3.05Å; K1509-A1512 PolarHBondContact O-N 3.22Å; Q1510-A1512 VanDerWaalsContact C-N 3.27Å; Q1510-A1512 PolarHBondContact O-N 3.07Å; A1512-H1515 PolarHBondContact O-N 3.14Å; A1512-A1519 WeakPolarHBondContact CB-O 3.19Å; A1512-I1524 HydrophobicContact CB-CD1 4.34Å; A1512-I1524 HydrophobicContact CB-CG1 3.68Å |
| 1513 | T | 80 | Confident | 78.3 | Confident | 98 Ų | 98 | 36.3 Ų | 36.3 | 60% | 0.601 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -64.5 | -44.4 | 177.6 | -50.1 | 0 | 0 | 0 | 0 | 111.4 | K1509 Q1510 I1511 H1515 G1516 | K1509-T1513 PolarHBondContact O-N 2.7Å; K1509-T1513 PolarHBondContact O-OG1 3.27Å; Q1510-T1513 WeakPolarHBondContact O-CB 3.12Å; Q1510-T1513 PolarHBondContact O-N 3.1Å; Q1510-T1513 VanDerWaalsContact O-N 3.11Å; I1511-T1513 VanDerWaalsContact C-N 3.34Å; I1511-T1513 PolarHBondContact O-N 3.2Å; T1513-H1515 VanDerWaalsContact C-N 3.3Å; T1513-H1515 PolarHBondContact O-N 3.1Å; T1513-G1516 PolarHBondContact O-N 3.18Å |
| 1514 | K | 79.5 | Confident | 78.5 | Confident | 128 Ų | 128 | 36 Ų | 36 | 56% | 0.557 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.4 | -33.8 | 179.7 | -173.4 | -169.9 | 171.4 | -158.4 | 0 | 112.6 | Q1510 I1511 G1516 E1561 | Q1510-K1514 WeakPolarHBondContact O-CB 3.49Å; Q1510-K1514 PolarHBondContact O-N 3.37Å; I1511-K1514 PolarHBondContact O-N 3.04Å; K1514-G1516 PolarHBondContact O-N 3.49Å; K1514-E1561 WeakPolarHBondContact CE-OE1 3.42Å; K1514-E1561 IonicContact NZ-OE1 2.72Å; K1514-E1561 PolarHBondContact NZ-OE1 2.93Å |
| 1515 | H | 73.4 | Confident | 78.9 | Confident | 29 Ų | 29 | 35 Ų | 35 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -2.1 | 175.1 | -91.3 | -84.7 | 0 | 0 | 0 | 113.8 | L1255 I1511 A1512 T1513 K1517 F1555 E1556 E1561 | L1255-H1515 WeakPolarHBondContact CD1-O 3.09Å; L1255-H1515 WeakPolarHBondContact CD2-O 2.93Å; I1511-H1515 PolarHBondContact O-CD2 3.31Å; I1511-H1515 PolarHBondContact O-N 2.9Å; A1512-H1515 PolarHBondContact O-N 3.14Å; T1513-H1515 VanDerWaalsContact C-N 3.3Å; T1513-H1515 PolarHBondContact O-N 3.1Å; H1515-K1517 HydrophobicContact CB-CG 4.48Å; H1515-K1517 PolarHBondContact O-N 2.72Å; H1515-F1555 AromaticContact CE1-CD2 3.97Å; H1515-F1555 AromaticContact ND1-CD2 3.7Å; H1515-E1556 PolarHBondContact CE1-O 3.1Å; H1515-E1561 IonicContact CD2-OE2 2.71Å; H1515-E1561 IonicContact CE1-OE2 3.49Å; H1515-E1561 IonicContact NE2-OE1 3.94Å; H1515-E1561 IonicContact NE2-OE2 3.19Å; H1515-E1561 PolarHBondContact NE2-OE2 3.3Å |
| 1516 | G | 60.9 | Low | 79.1 | Confident | 49 Ų | 49 | 34.7 Ų | 34.7 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | trans | 69.2 | -11.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T1513 K1514 | T1513-G1516 PolarHBondContact O-N 3.18Å; K1514-G1516 PolarHBondContact O-N 3.49Å | ||
| 1517 | K | 54 | Low | 79.4 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -67.8 | 148.3 | 168.1 | -49.4 | -80.1 | -177.3 | 168.3 | 0 | 107.4 | L1255 N1256 H1515 A1519 D1554 | L1255-K1517 HydrophobicContact CD2-CB 4.42Å; L1255-K1517 HydrophobicContact CD2-CD 3.74Å; L1255-K1517 HydrophobicContact CD2-CG 3.91Å; L1255-K1517 HydrophobicContact CG-CD 4.21Å; N1256-K1517 PolarHBondContact ND2-NZ 2.99Å; N1256-K1517 PolarHBondContact OD1-NZ 2.95Å; H1515-K1517 HydrophobicContact CB-CG 4.48Å; H1515-K1517 PolarHBondContact O-N 2.72Å; K1517-A1519 HydrophobicContact CB-CB 3.52Å; K1517-A1519 HydrophobicContact CG-CB 4.22Å; K1517-A1519 PolarHBondContact O-N 2.79Å; K1517-D1554 PolarHBondContact NZ-O 3.1Å; K1517-D1554 IonicContact NZ-OD2 3.94Å; K1517-D1554 PolarHBondContact NZ-OD2 2.99Å |
| 1518 | S | 43.3 | Very low | 79.6 | Confident | 132 Ų | 132 | 30.4 Ų | 30.4 | 92% | 0.923 | 18% | 0.179 | S | C | * | . | trans | -72.8 | 44.6 | 152 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | S1520 | S1518-S1520 PolarHBondContact O-N 3Š| ||
| 1519 | A | 50.1 | Low | 80.1 | Confident | 11 Ų | 11 | 30.4 Ų | 30.4 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | trans | -68.8 | 129.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | A1512 K1517 R1523 | A1512-A1519 WeakPolarHBondContact CB-O 3.19Å; K1517-A1519 HydrophobicContact CB-CB 3.52Å; K1517-A1519 HydrophobicContact CG-CB 4.22Å; K1517-A1519 PolarHBondContact O-N 2.79Å; A1519-R1523 HydrophobicContact CB-CB 4.12Å | ||
| 1520 | S | 69.1 | Low | 80.4 | Confident | 28 Ų | 28 | 28 Ų | 28 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | trans | -59.7 | 148.8 | 167 | 47.3 | 0 | 0 | 0 | 0 | 109.4 | S1518 A1522 R1523 S1548 | S1518-S1520 PolarHBondContact O-N 3Å; S1520-A1522 PolarHBondContact O-N 2.89Å; S1520-R1523 PolarHBondContact O-N 2.89Å; S1520-S1548 PolarHBondContact OG-OG 2.94Å; S1520-S1548 VanDerWaalsContact OG-OG 3.1Å | ||
| 1521 | Q | 83.6 | Confident | 80.7 | Confident | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.056 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50.7 | -27.3 | 172.2 | -68.2 | 124.6 | -62.8 | 0 | 0 | 111.9 | L1503 A1508 K1509 R1523 I1524 L1525 | L1503-Q1521 HydrophobicContact CD1-CB 3.79Å; L1503-Q1521 WeakPolarHBondContact O-CB 3.49Å; L1503-Q1521 PolarHBondContact O-NE2 3.32Å; L1503-Q1521 VanDerWaalsContact O-NE2 3.09Å; A1508-Q1521 HydrophobicContact CB-CB 4.27Å; A1508-Q1521 HydrophobicContact CB-CG 4.45Å; K1509-Q1521 HydrophobicContact CB-CG 3.69Å; K1509-Q1521 HydrophobicContact CG-CG 4.26Å; Q1521-R1523 PolarHBondContact O-N 2.61Å; Q1521-I1524 PolarHBondContact O-N 2.82Å; Q1521-L1525 WeakPolarHBondContact O-CG 3.35Å; Q1521-L1525 PolarHBondContact O-N 2.93Å |
| 1522 | A | 88 | Confident | 80.9 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.2 | -44.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1479 L1503 S1520 I1524 L1525 L1526 | I1479-A1522 HydrophobicContact CG2-CB 3.92Å; L1503-A1522 VanDerWaalsContact CD1-CA 3.45Å; L1503-A1522 HydrophobicContact CD1-CB 3.61Å; S1520-A1522 PolarHBondContact O-N 2.89Å; A1522-I1524 VanDerWaalsContact C-N 3.29Å; A1522-I1524 PolarHBondContact O-N 2.88Å; A1522-L1525 PolarHBondContact O-N 2.99Å; A1522-L1526 HydrophobicContact CB-CD1 4.38Å; A1522-L1526 VanDerWaalsContact O-CB 3.23Å; A1522-L1526 WeakPolarHBondContact O-CB 3.21Å; A1522-L1526 WeakPolarHBondContact O-CD1 3.48Å; A1522-L1526 WeakPolarHBondContact O-CG 3.21Å; A1522-L1526 PolarHBondContact O-N 3.35Å |
| 1523 | R | 89.4 | Confident | 81.3 | Confident | 12 Ų | 12 | 34 Ų | 34 | 5% | 0.045 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 179.5 | -74.2 | 178.7 | 64.1 | 168.8 | 2.4 | 111.9 | A1519 S1520 Q1521 K1527 S1548 Q1551 L1552 D1554 F1555 | A1519-R1523 HydrophobicContact CB-CB 4.12Å; S1520-R1523 PolarHBondContact O-N 2.89Å; Q1521-R1523 PolarHBondContact O-N 2.61Å; R1523-K1527 WeakPolarHBondContact O-CB 3.5Å; R1523-K1527 PolarHBondContact O-N 3.1Å; R1523-S1548 VanDerWaalsContact CD-O 3.25Å; R1523-S1548 WeakPolarHBondContact CD-O 3.32Å; R1523-S1548 WeakPolarHBondContact CD-OG 3.38Å; R1523-S1548 VanDerWaalsContact CG-O 3.25Å; R1523-S1548 WeakPolarHBondContact CG-O 3.26Å; R1523-Q1551 PolarHBondContact NE-O 3.06Å; R1523-Q1551 VanDerWaalsContact NH1-OE1 3.1Å; R1523-Q1551 PolarHBondContact NH2-O 1.85Å; R1523-L1552 HydrophobicContact CB-CD2 3.94Å; R1523-L1552 HydrophobicContact CG-CD2 3.95Å; R1523-L1552 WeakPolarHBondContact O-CD2 3.28Å; R1523-D1554 IonicContact CZ-OD1 3.89Å; R1523-D1554 IonicContact CZ-OD2 2.75Å; R1523-D1554 IonicContact NH2-OD1 3.28Å; R1523-D1554 PolarHBondContact NH2-OD1 3Å; R1523-D1554 IonicContact NH2-OD2 2.81Å; R1523-D1554 PolarHBondContact NH2-OD2 2.92Å; R1523-F1555 HydrophobicContact CB-CZ 4.35Å |
| 1524 | I | 92.1 | Very high | 82 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.4 | -48.9 | 177.2 | -56.1 | -50.5 | 0 | 0 | 0 | 110.9 | I1511 A1512 Q1521 A1522 L1526 K1527 W1528 F1555 L1557 L1565 | I1511-I1524 HydrophobicContact CB-CG2 4.01Å; I1511-I1524 HydrophobicContact CG2-CD1 4.08Å; I1511-I1524 HydrophobicContact CG2-CG1 4.32Å; I1511-I1524 HydrophobicContact CG2-CG2 3.74Å; A1512-I1524 HydrophobicContact CB-CD1 4.34Å; A1512-I1524 HydrophobicContact CB-CG1 3.68Å; Q1521-I1524 PolarHBondContact O-N 2.82Å; A1522-I1524 VanDerWaalsContact C-N 3.29Å; A1522-I1524 PolarHBondContact O-N 2.88Å; I1524-L1526 VanDerWaalsContact C-N 3.34Å; I1524-L1526 PolarHBondContact O-N 3.17Å; I1524-K1527 PolarHBondContact O-N 2.84Å; I1524-W1528 WeakPolarHBondContact O-CB 3.45Å; I1524-W1528 PolarHBondContact O-N 3.41Å; I1524-F1555 HydrophobicContact CD1-CE2 3.8Å; I1524-F1555 HydrophobicContact CD1-CZ 4.11Å; I1524-L1557 HydrophobicContact CD1-CD2 4.16Å; I1524-L1557 HydrophobicContact CG2-CD1 4.37Å; I1524-L1557 HydrophobicContact CG2-CD2 4.3Å; I1524-L1565 HydrophobicContact CG2-CD1 3.87Å |
| 1525 | L | 94 | Very high | 82.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 179 | -66.9 | 165.2 | 0 | 0 | 0 | 112.4 | I1455 I1479 P1502 L1503 A1508 Q1521 A1522 L1529 | I1455-L1525 HydrophobicContact CB-CD2 3.84Å; I1455-L1525 HydrophobicContact CD1-CD2 4.04Å; I1455-L1525 HydrophobicContact CG1-CD2 4.46Å; I1455-L1525 HydrophobicContact CG2-CD2 4.05Å; I1479-L1525 HydrophobicContact CG2-CB 4.35Å; I1479-L1525 HydrophobicContact CG2-CD1 4.4Å; P1502-L1525 WeakPolarHBondContact O-CD1 3.4Å; L1503-L1525 HydrophobicContact CB-CD1 4.41Å; L1503-L1525 HydrophobicContact CD1-CD1 3.99Å; A1508-L1525 HydrophobicContact CB-CD1 4.4Å; A1508-L1525 HydrophobicContact CB-CD2 4.03Å; A1508-L1525 HydrophobicContact CB-CG 4.05Å; Q1521-L1525 WeakPolarHBondContact O-CG 3.35Å; Q1521-L1525 PolarHBondContact O-N 2.93Å; A1522-L1525 PolarHBondContact O-N 2.99Å; L1525-L1529 PolarHBondContact O-N 3.03Å |
| 1526 | L | 94.9 | Very high | 84 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.8 | -44.6 | 175.7 | -66.4 | 167 | 0 | 0 | 0 | 111.2 | P1478 I1479 A1522 I1524 W1528 L1529 L1530 V1536 P1538 N1549 L1552 | P1478-L1526 HydrophobicContact CB-CD2 3.93Å; P1478-L1526 HydrophobicContact CG-CD2 3.76Å; I1479-L1526 HydrophobicContact CG2-CD2 4.4Å; I1479-L1526 HydrophobicContact CG2-CG 4.23Å; A1522-L1526 HydrophobicContact CB-CD1 4.38Å; A1522-L1526 VanDerWaalsContact O-CB 3.23Å; A1522-L1526 WeakPolarHBondContact O-CB 3.21Å; A1522-L1526 WeakPolarHBondContact O-CD1 3.48Å; A1522-L1526 WeakPolarHBondContact O-CG 3.21Å; A1522-L1526 PolarHBondContact O-N 3.35Å; I1524-L1526 VanDerWaalsContact C-N 3.34Å; I1524-L1526 PolarHBondContact O-N 3.17Å; L1526-W1528 VanDerWaalsContact C-N 3.34Å; L1526-W1528 PolarHBondContact O-N 3.16Å; L1526-L1529 PolarHBondContact O-N 2.98Å; L1526-L1530 WeakPolarHBondContact O-CG 3.28Å; L1526-L1530 PolarHBondContact O-N 3.16Å; L1526-V1536 HydrophobicContact CB-CG2 4.43Å; L1526-V1536 HydrophobicContact CD2-CB 3.62Å; L1526-V1536 HydrophobicContact CD2-CG1 4.05Å; L1526-V1536 HydrophobicContact CD2-CG2 3.74Å; L1526-P1538 HydrophobicContact CD1-CB 4.17Å; L1526-P1538 HydrophobicContact CD1-CG 3.93Å; L1526-P1538 HydrophobicContact CD2-CB 4.02Å; L1526-P1538 HydrophobicContact CD2-CG 3.82Å; L1526-N1549 HydrophobicContact CD1-CB 4.12Å; L1526-L1552 HydrophobicContact CB-CD1 3.67Å; L1526-L1552 HydrophobicContact CB-CD2 4.02Å; L1526-L1552 HydrophobicContact CD1-CD1 4.25Å |
| 1527 | K | 93.5 | Very high | 85.7 | Confident | 5 Ų | 5 | 19.9 Ų | 19.9 | 2% | 0.022 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.3 | -174.5 | 77.6 | -158.3 | -156.3 | 0 | 112.1 | R1523 I1524 L1529 L1530 Q1531 L1552 F1555 E1556 L1557 | R1523-K1527 WeakPolarHBondContact O-CB 3.5Å; R1523-K1527 PolarHBondContact O-N 3.1Å; I1524-K1527 PolarHBondContact O-N 2.84Å; K1527-L1529 PolarHBondContact O-N 3.45Å; K1527-L1530 PolarHBondContact O-N 2.82Å; K1527-Q1531 WeakPolarHBondContact O-CB 3.5Å; K1527-Q1531 PolarHBondContact O-N 2.98Å; K1527-L1552 WeakPolarHBondContact CD-O 3.12Å; K1527-L1552 PolarHBondContact NZ-O 3.42Å; K1527-F1555 HydrophobicContact CB-CE1 4.5Å; K1527-F1555 HydrophobicContact CB-CE2 4.08Å; K1527-F1555 HydrophobicContact CB-CZ 3.67Å; K1527-F1555 HydrophobicContact CD-CE1 4.43Å; K1527-F1555 HydrophobicContact CD-CE2 4.47Å; K1527-F1555 HydrophobicContact CD-CZ 4.21Å; K1527-F1555 WeakPolarHBondContact CE-O 3.35Å; K1527-F1555 HydrophobicContact CG-CE2 3.88Å; K1527-F1555 HydrophobicContact CG-CZ 3.82Å; K1527-F1555 PolarHBondContact NZ-O 2.85Å; K1527-E1556 IonicContact NZ-OE1 2.91Å; K1527-E1556 PolarHBondContact NZ-OE1 3.01Å; K1527-L1557 HydrophobicContact CB-CD1 4.29Å; K1527-L1557 HydrophobicContact CB-CG 4.41Å; K1527-L1557 HydrophobicContact CG-CD1 4.23Å; K1527-L1557 HydrophobicContact CG-CG 3.94Å |
| 1528 | W | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 175.1 | 165.9 | 71 | 0 | 0 | 0 | 112.9 | I1455 P1458 I1524 L1526 R1532 L1557 M1562 L1565 N1566 | I1455-W1528 HydrophobicContact CB-CZ3 4.3Å; P1458-W1528 HydrophobicContact CB-CH2 3.92Å; P1458-W1528 HydrophobicContact CB-CZ2 4.21Å; I1524-W1528 WeakPolarHBondContact O-CB 3.45Å; I1524-W1528 PolarHBondContact O-N 3.41Å; L1526-W1528 VanDerWaalsContact C-N 3.34Å; L1526-W1528 PolarHBondContact O-N 3.16Å; W1528-R1532 VanDerWaalsContact CZ2-NH1 3.3Å; W1528-R1532 WeakPolarHBondContact O-CG 3.26Å; W1528-L1557 HydrophobicContact CB-CD1 3.84Å; W1528-M1562 HydrophobicContact CB-SD 4.42Å; W1528-L1565 HydrophobicContact CB-CD1 3.78Å; W1528-L1565 HydrophobicContact CD2-CB 4.27Å; W1528-L1565 HydrophobicContact CG-CB 3.98Å; W1528-L1565 HydrophobicContact CG-CD1 3.89Å; W1528-N1566 WeakPolarHBondContact CZ2-OD1 3.18Å; W1528-N1566 PolarHBondContact NE1-OD1 3.49Å |
| 1529 | L | 96.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.2 | -42.3 | 172.5 | -69.4 | 171.4 | 0 | 0 | 0 | 111.7 | A1475 P1478 L1525 L1526 K1527 Q1531 R1532 I1534 V1536 | A1475-L1529 HydrophobicContact CB-CD1 3.88Å; P1478-L1529 HydrophobicContact CB-CD1 3.53Å; L1525-L1529 PolarHBondContact O-N 3.03Å; L1526-L1529 PolarHBondContact O-N 2.98Å; K1527-L1529 PolarHBondContact O-N 3.45Å; L1529-Q1531 VanDerWaalsContact C-N 3.33Å; L1529-Q1531 PolarHBondContact O-N 3.17Å; L1529-R1532 WeakPolarHBondContact O-CA 3.36Å; L1529-R1532 WeakPolarHBondContact O-CB 3.3Å; L1529-R1532 PolarHBondContact O-N 3.24Å; L1529-I1534 HydrophobicContact CB-CB 4.16Å; L1529-I1534 HydrophobicContact CB-CG2 4.23Å; L1529-I1534 HydrophobicContact CD2-CB 4.46Å; L1529-I1534 HydrophobicContact CD2-CD1 3.8Å; L1529-I1534 HydrophobicContact CD2-CG2 4.28Å; L1529-I1534 WeakPolarHBondContact O-CB 2.99Å; L1529-I1534 PolarHBondContact O-N 3.36Å; L1529-V1536 HydrophobicContact CB-CG1 3.43Å; L1529-V1536 VanDerWaalsContact CB-CG1 3.43Å; L1529-V1536 HydrophobicContact CD1-CG1 3.69Å; L1529-V1536 HydrophobicContact CG-CG1 4.21Å |
| 1530 | L | 92.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 15 Ų | 15 | 7% | 0.073 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 175.9 | -73.4 | 177.9 | 0 | 0 | 0 | 112.9 | L1283 L1526 K1527 R1532 D1533 V1536 L1552 F1553 | L1283-L1530 HydrophobicContact CB-CD2 3.64Å; L1283-L1530 WeakPolarHBondContact O-CD2 3.16Å; L1526-L1530 WeakPolarHBondContact O-CG 3.28Å; L1526-L1530 PolarHBondContact O-N 3.16Å; K1527-L1530 PolarHBondContact O-N 2.82Å; L1530-R1532 PolarHBondContact O-N 3.4Å; L1530-D1533 PolarHBondContact O-N 2.84Å; L1530-V1536 HydrophobicContact CD2-CG2 3.97Å; L1530-V1536 HydrophobicContact CG-CG2 4.11Å; L1530-L1552 HydrophobicContact CD1-CB 3.63Å; L1530-L1552 HydrophobicContact CD1-CD1 3.5Å; L1530-L1552 HydrophobicContact CD1-CG 4.19Å; L1530-F1553 HydrophobicContact CD1-CE1 4.33Å; L1530-F1553 HydrophobicContact CD1-CZ 4.36Å |
| 1531 | Q | 93.5 | Very high | 92.7 | Very high | 62 Ų | 62 | 15.9 Ų | 15.9 | 29% | 0.29 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 0.4 | 174.8 | -80.9 | 179.3 | -117.5 | 0 | 0 | 113.9 | K1527 L1529 L1557 M1562 | K1527-Q1531 WeakPolarHBondContact O-CB 3.5Å; K1527-Q1531 PolarHBondContact O-N 2.98Å; L1529-Q1531 VanDerWaalsContact C-N 3.33Å; L1529-Q1531 PolarHBondContact O-N 3.17Å; Q1531-L1557 PolarHBondContact NE2-O 2.92Å; Q1531-M1562 HydrophobicContact CB-CE 3.48Å; Q1531-M1562 VanDerWaalsContact CB-CE 3.48Å; Q1531-M1562 HydrophobicContact CB-SD 3.75Å |
| 1532 | R | 92.7 | Very high | 93 | Very high | 20 Ų | 20 | 16.7 Ų | 16.7 | 8% | 0.075 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 3.7 | 166.6 | -68.2 | 171.6 | 56.5 | -163.2 | -7.7 | 112.7 | P1458 H1463 K1467 W1528 L1529 L1530 I1534 M1562 | P1458-R1532 PolarHBondContact O-NH1 3.02Å; P1458-R1532 VanDerWaalsContact O-NH1 3.1Å; P1458-R1532 PolarHBondContact O-NH2 3.07Å; H1463-R1532 PolarHBondContact CE1-O 2.62Å; H1463-R1532 PolarHBondContact NE2-O 3.47Å; H1463-R1532 VanDerWaalsContact NE2-O 3.16Å; K1467-R1532 WeakPolarHBondContact CE-O 3.49Å; K1467-R1532 PolarHBondContact NZ-O 2.86Å; W1528-R1532 VanDerWaalsContact CZ2-NH1 3.3Å; W1528-R1532 WeakPolarHBondContact O-CG 3.26Å; L1529-R1532 WeakPolarHBondContact O-CA 3.36Å; L1529-R1532 WeakPolarHBondContact O-CB 3.3Å; L1529-R1532 PolarHBondContact O-N 3.24Å; L1530-R1532 PolarHBondContact O-N 3.4Å; R1532-I1534 VanDerWaalsContact C-N 3.3Å; R1532-I1534 HydrophobicContact CB-CD1 3.96Å; R1532-I1534 HydrophobicContact CB-CG1 4.13Å; R1532-M1562 HydrophobicContact CG-CE 4.08Å |
| 1533 | D | 88.8 | Confident | 92.7 | Very high | 92 Ų | 92 | 19.8 Ų | 19.8 | 49% | 0.492 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 24.7 | -168.2 | -45 | -63.8 | 0 | 0 | 0 | 114.6 | K1467 L1530 | K1467-D1533 IonicContact NZ-OD2 2.71Å; K1467-D1533 PolarHBondContact NZ-OD2 2.97Å; L1530-D1533 PolarHBondContact O-N 2.84Å |
| 1534 | I | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -90.3 | 127.5 | 178 | -65.7 | 170.2 | 0 | 0 | 0 | 109.9 | H1463 F1473 A1475 L1529 R1532 | H1463-I1534 VanDerWaalsContact CD2-CG1 3.42Å; H1463-I1534 WeakPolarHBondContact CD2-CG1 3.34Å; H1463-I1534 WeakPolarHBondContact NE2-CG1 3.29Å; F1473-I1534 HydrophobicContact CD1-CD1 4.24Å; F1473-I1534 HydrophobicContact CD1-CG1 3.99Å; F1473-I1534 HydrophobicContact CD1-CG2 3.91Å; F1473-I1534 HydrophobicContact CE1-CD1 4.46Å; A1475-I1534 HydrophobicContact CB-CG2 3.61Å; L1529-I1534 HydrophobicContact CB-CB 4.16Å; L1529-I1534 HydrophobicContact CB-CG2 4.23Å; L1529-I1534 HydrophobicContact CD2-CB 4.46Å; L1529-I1534 HydrophobicContact CD2-CD1 3.8Å; L1529-I1534 HydrophobicContact CD2-CG2 4.28Å; L1529-I1534 WeakPolarHBondContact O-CB 2.99Å; L1529-I1534 PolarHBondContact O-N 3.36Å; R1532-I1534 VanDerWaalsContact C-N 3.3Å; R1532-I1534 HydrophobicContact CB-CD1 3.96Å; R1532-I1534 HydrophobicContact CB-CG1 4.13Å | ||
| 1535 | I | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132.1 | 172.3 | -54.3 | 156.1 | 0 | 0 | 0 | 108.3 | V1273 M1281 P1282 L1283 F1473 T1474 A1475 | V1273-I1535 HydrophobicContact CG1-CD1 3.7Å; V1273-I1535 HydrophobicContact CG1-CG1 3.72Å; M1281-I1535 HydrophobicContact CE-CD1 3.94Å; M1281-I1535 HydrophobicContact CE-CG2 4.35Å; M1281-I1535 HydrophobicContact CG-CD1 4.05Å; M1281-I1535 HydrophobicContact SD-CD1 3.62Å; P1282-I1535 WeakPolarHBondContact O-CG2 3.27Å; L1283-I1535 HydrophobicContact CD2-CG1 3.92Å; L1283-I1535 CarbonylContact O-C 3.56Å; L1283-I1535 WeakPolarHBondContact O-CA 3.16Å; F1473-I1535 WeakPolarHBondContact O-CB 3.11Å; F1473-I1535 PolarHBondContact O-N 2.98Å; T1474-I1535 CarbonylContact C-O 3.46Å; T1474-I1535 WeakPolarHBondContact CA-O 3.09Å; T1474-I1535 HydrophobicContact CG2-CB 4.31Å; T1474-I1535 HydrophobicContact CG2-CG2 4.18Å; A1475-I1535 PolarHBondContact N-O 3.35Å |
| 1536 | V | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.4 | -179.1 | -68.6 | 0 | 0 | 0 | 0 | 112 | L1283 L1284 G1285 A1475 P1478 L1526 L1529 L1530 P1538 | L1283-V1536 PolarHBondContact O-N 3.02Å; L1284-V1536 HydrophobicContact CD1-CG2 3.86Å; G1285-V1536 PolarHBondContact N-O 2.71Å; A1475-V1536 HydrophobicContact CB-CG1 4.4Å; P1478-V1536 HydrophobicContact CB-CG1 4.32Å; L1526-V1536 HydrophobicContact CB-CG2 4.43Å; L1526-V1536 HydrophobicContact CD2-CB 3.62Å; L1526-V1536 HydrophobicContact CD2-CG1 4.05Å; L1526-V1536 HydrophobicContact CD2-CG2 3.74Å; L1529-V1536 HydrophobicContact CB-CG1 3.43Å; L1529-V1536 VanDerWaalsContact CB-CG1 3.43Å; L1529-V1536 HydrophobicContact CD1-CG1 3.69Å; L1529-V1536 HydrophobicContact CG-CG1 4.21Å; L1530-V1536 HydrophobicContact CD2-CG2 3.97Å; L1530-V1536 HydrophobicContact CG-CG2 4.11Å; V1536-P1538 VanDerWaalsContact O-CD 3.32Å; V1536-P1538 WeakPolarHBondContact O-CD 3.14Å |
| 1537 | I | 96.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 5% | 0.046 | 14% | 0.144 | C | C | . | . | trans | -119.8 | 63.8 | -179.7 | 52.8 | 163.1 | 0 | 0 | 0 | 113.5 | G1285 H1310 D1312 Q1450 T1474 A1475 | G1285-I1537 WeakPolarHBondContact O-CA 3.23Å; H1310-I1537 VanDerWaalsContact CE1-CG2 3.4Å; H1310-I1537 WeakPolarHBondContact CE1-CG2 3.47Å; D1312-I1537 HydrophobicContact CB-CB 4.15Å; D1312-I1537 HydrophobicContact CB-CD1 3.68Å; D1312-I1537 HydrophobicContact CB-CG2 3.94Å; D1312-I1537 WeakPolarHBondContact OD1-CD1 3.41Å; Q1450-I1537 HydrophobicContact CG-CD1 4.36Å; T1474-I1537 HydrophobicContact CG2-CD1 4.05Å; T1474-I1537 HydrophobicContact CG2-CG1 3.95Å; T1474-I1537 HydrophobicContact CG2-CG2 3.96Å; A1475-I1537 VanDerWaalsContact O-CG1 3.24Å; A1475-I1537 WeakPolarHBondContact O-CG1 2.84Å; A1475-I1537 PolarHBondContact O-N 3.42Å | ||
| 1538 | P | 94.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | trans | -63.4 | 136.5 | 176.7 | 27 | -35.8 | 0 | 0 | 0 | 113.2 | L1284 G1285 G1287 P1478 I1479 L1526 V1536 N1549 | L1284-P1538 HydrophobicContact CD1-CG 3.97Å; G1285-P1538 WeakPolarHBondContact O-CD 3.44Å; G1287-P1538 PolarHBondContact N-O 3.18Å; P1478-P1538 HydrophobicContact CG-CB 4.48Å; I1479-P1538 HydrophobicContact CD1-CB 4.28Å; L1526-P1538 HydrophobicContact CD1-CB 4.17Å; L1526-P1538 HydrophobicContact CD1-CG 3.93Å; L1526-P1538 HydrophobicContact CD2-CB 4.02Å; L1526-P1538 HydrophobicContact CD2-CG 3.82Å; V1536-P1538 VanDerWaalsContact O-CD 3.32Å; V1536-P1538 WeakPolarHBondContact O-CD 3.14Å; P1538-N1549 HydrophobicContact CG-CB 4.39Å | ||
| 1539 | K | 91.5 | Very high | 90.9 | Very high | 45 Ų | 45 | 26.9 Ų | 26.9 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | trans | -102.3 | 134 | 170.6 | -177.1 | -91.7 | -60.2 | -120.9 | 0 | 110.3 | G1287 W1289 T1541 | G1287-K1539 WeakPolarHBondContact O-CA 3.28Å; G1287-K1539 WeakPolarHBondContact O-CB 3.26Å; G1287-K1539 WeakPolarHBondContact O-CG 3.32Å; W1289-K1539 VanDerWaalsContact O-CE 3.27Å; W1289-K1539 WeakPolarHBondContact O-CE 2.97Å; W1289-K1539 PolarHBondContact O-NZ 2.91Å; K1539-T1541 HydrophobicContact CD-CG2 3.84Å | ||
| 1540 | S | 90.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | trans | -141.5 | 171.2 | 169.4 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | Y1286 H1545 L1815 L1816 R1817 | Y1286-S1540 PolarHBondContact OH-O 2.96Å; Y1286-S1540 VanDerWaalsContact OH-O 3.11Å; S1540-H1545 PolarHBondContact OG-ND1 2.89Å; S1540-L1815 PolarHBondContact OG-O 2.86Å; S1540-L1816 WeakPolarHBondContact CB-O 3.16Å; S1540-L1816 PolarHBondContact OG-O 3.29Å; S1540-R1817 WeakPolarHBondContact O-CA 3.29Å; S1540-R1817 WeakPolarHBondContact O-CB 3.43Å; S1540-R1817 WeakPolarHBondContact O-CG 3.32Å; S1540-R1817 PolarHBondContact O-N 2.97Å | ||
| 1541 | T | 88.7 | Confident | 90.1 | Very high | 47 Ų | 47 | 31.3 Ų | 31.3 | 29% | 0.288 | 17% | 0.171 | S | C | . | . | trans | -133.9 | -8.7 | -159.9 | 62.6 | 0 | 0 | 0 | 0 | 124.2 | K1539 L1816 R1817 | K1539-T1541 HydrophobicContact CD-CG2 3.84Å; T1541-L1816 WeakPolarHBondContact O-CD2 3.43Å; T1541-R1817 WeakPolarHBondContact O-CD 3.45Å; T1541-R1817 PolarHBondContact O-NH1 2.8Å | ||
| 1542 | N | 88.7 | Confident | 89.8 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 16% | 0.155 | 16% | 0.157 | C | C | . | . | S | Bend | -158.7 | 0 | -66 | -146.3 | -130.3 | 0 | 0 | 0 | 117.1 | H1545 H1814 L1815 L1816 | N1542-H1545 PolarHBondContact OD1-CE1 2.89Å; N1542-H1545 PolarHBondContact OD1-ND1 3.11Å; N1542-H1814 VanDerWaalsContact CG-CA 3.49Å; N1542-H1814 PolarHBondContact ND2-CE1 2.64Å; N1542-H1814 PolarHBondContact ND2-ND1 3.19Å; N1542-H1814 PolarHBondContact ND2-NE2 2.81Å; N1542-H1814 WeakPolarHBondContact OD1-CA 3.03Å; N1542-H1814 PolarHBondContact OD1-CE1 2.85Å; N1542-H1814 PolarHBondContact OD1-N 2.86Å; N1542-L1815 VanDerWaalsContact CA-CA 3.5Å; N1542-L1815 VanDerWaalsContact CB-O 3.32Å; N1542-L1815 WeakPolarHBondContact CB-O 3.49Å; N1542-L1815 VanDerWaalsContact CG-CA 3.4Å; N1542-L1815 WeakPolarHBondContact O-CD2 3.25Å; N1542-L1815 VanDerWaalsContact OD1-CA 3.23Å; N1542-L1815 WeakPolarHBondContact OD1-CA 3.43Å; N1542-L1815 PolarHBondContact OD1-N 2.93Å; N1542-L1815 PolarHBondContact OD1-O 2.82Å; N1542-L1816 VanDerWaalsContact CB-CA 3.49Å | |
| 1543 | P | 83.3 | Confident | 89.3 | Confident | 70 Ų | 70 | 31.6 Ų | 31.6 | 46% | 0.455 | 17% | 0.172 | S | C | . | . | S | Bend | 0 | -27.7 | 0 | -37 | 45.4 | 0 | 0 | 0 | 137.6 | L1815 L1816 | P1543-L1815 VanDerWaalsContact CA-C 3.43Å; P1543-L1815 HydrophobicContact CB-CB 3.99Å; P1543-L1815 HydrophobicContact CB-CD1 4.24Å; P1543-L1816 HydrophobicContact CB-CD1 4.09Å; P1543-L1816 HydrophobicContact CB-CG 4.15Å; P1543-L1816 HydrophobicContact CG-CD1 3.92Å; P1543-L1816 HydrophobicContact CG-CG 3.97Å; P1543-L1816 PolarHBondContact O-N 2.91Å | |
| 1544 | S | 83.9 | Confident | 88.8 | Confident | 56 Ų | 56 | 29.5 Ų | 29.5 | 39% | 0.392 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -104.4 | -30.7 | -163.7 | 72.1 | 0 | 0 | 0 | 0 | 118.5 | I1546 V1547 S1548 H1814 L1815 L1816 | S1544-I1546 PolarHBondContact O-N 2.71Å; S1544-V1547 WeakPolarHBondContact O-CB 3.34Å; S1544-V1547 PolarHBondContact O-N 3.16Å; S1544-S1548 PolarHBondContact O-N 2.89Å; S1544-H1814 PolarHBondContact OG-O 3.11Å; S1544-L1815 WeakPolarHBondContact OG-CB 3.23Å; S1544-L1816 VanDerWaalsContact N-N 3.15Å |
| 1545 | H | 87.9 | Confident | 88.2 | Confident | 32 Ų | 32 | 30.5 Ų | 30.5 | 15% | 0.148 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -17.9 | -174 | -60.6 | 155.5 | 0 | 0 | 0 | 112.6 | S1540 N1542 S1548 N1549 Y1813 H1814 L1815 | S1540-H1545 PolarHBondContact OG-ND1 2.89Å; N1542-H1545 PolarHBondContact OD1-CE1 2.89Å; N1542-H1545 PolarHBondContact OD1-ND1 3.11Å; H1545-S1548 CarbonylContact O-C 3.49Å; H1545-S1548 VanDerWaalsContact O-CB 3.3Å; H1545-S1548 WeakPolarHBondContact O-CB 3.45Å; H1545-S1548 PolarHBondContact O-N 3.26Å; H1545-N1549 WeakPolarHBondContact O-CB 3.46Å; H1545-N1549 PolarHBondContact O-N 2.91Å; H1545-N1549 PolarHBondContact O-OD1 2.81Å; H1545-Y1813 VanDerWaalsContact CE1-C 3.44Å; H1545-Y1813 PolarHBondContact NE2-O 3.08Å; H1545-H1814 PolarHBondContact CE1-N 2.6Å; H1545-H1814 VanDerWaalsContact CE1-N 3.31Å; H1545-L1815 WeakPolarHBondContact CA-O 3.3Å; H1545-L1815 WeakPolarHBondContact CB-O 3.47Å; H1545-L1815 PolarHBondContact N-O 3.33Å; H1545-L1815 PolarHBondContact ND1-N 3.37Å; H1545-L1815 PolarHBondContact ND1-O 3.13Å |
| 1546 | I | 88.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -77 | -31.6 | 175 | -110 | -174.4 | 0 | 0 | 0 | 114.2 | Y1286 A1303 V1306 F1308 S1544 S1548 N1549 F1550 L1816 R1817 S1818 | Y1286-I1546 HydrophobicContact CD2-CD1 3.23Å; Y1286-I1546 HydrophobicContact CD2-CG1 4.44Å; Y1286-I1546 HydrophobicContact CE2-CD1 3.57Å; Y1286-I1546 HydrophobicContact CG-CD1 4.15Å; A1303-I1546 HydrophobicContact CB-CB 4.43Å; A1303-I1546 HydrophobicContact CB-CD1 3.65Å; A1303-I1546 HydrophobicContact CB-CG1 4.45Å; A1303-I1546 HydrophobicContact CB-CG2 3.38Å; V1306-I1546 HydrophobicContact CG2-CG2 4.29Å; F1308-I1546 HydrophobicContact CD2-CD1 4.32Å; F1308-I1546 HydrophobicContact CD2-CG2 4.45Å; F1308-I1546 HydrophobicContact CE2-CB 4.33Å; F1308-I1546 HydrophobicContact CE2-CD1 3.9Å; F1308-I1546 HydrophobicContact CE2-CG1 3.73Å; F1308-I1546 HydrophobicContact CE2-CG2 4.08Å; F1308-I1546 HydrophobicContact CZ-CD1 4.07Å; F1308-I1546 HydrophobicContact CZ-CG1 3.91Å; S1544-I1546 PolarHBondContact O-N 2.71Å; I1546-S1548 PolarHBondContact O-N 3.17Å; I1546-N1549 PolarHBondContact O-N 3.37Å; I1546-F1550 WeakPolarHBondContact O-CB 3.39Å; I1546-F1550 PolarHBondContact O-N 3.05Å; I1546-L1816 VanDerWaalsContact CB-O 3.27Å; I1546-L1816 WeakPolarHBondContact CB-O 3.42Å; I1546-L1816 PolarHBondContact N-O 2.85Å; I1546-R1817 WeakPolarHBondContact CD1-O 3.33Å; I1546-S1818 VanDerWaalsContact CD1-N 3.32Å |
| 1547 | V | 86.3 | Confident | 87.4 | Confident | 51 Ų | 51 | 36.6 Ų | 36.6 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62 | -41 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | V1306 S1544 Q1551 | V1306-V1547 HydrophobicContact CG2-CG2 3.97Å; S1544-V1547 WeakPolarHBondContact O-CB 3.34Å; S1544-V1547 PolarHBondContact O-N 3.16Å; V1547-Q1551 WeakPolarHBondContact O-CG 3.04Å; V1547-Q1551 PolarHBondContact O-N 3.21Å |
| 1548 | S | 84.5 | Confident | 87.1 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -50.3 | 172.1 | -164.9 | 0 | 0 | 0 | 0 | 112.8 | S1520 R1523 S1544 H1545 I1546 F1550 Q1551 | S1520-S1548 PolarHBondContact OG-OG 2.94Å; S1520-S1548 VanDerWaalsContact OG-OG 3.1Å; R1523-S1548 VanDerWaalsContact CD-O 3.25Å; R1523-S1548 WeakPolarHBondContact CD-O 3.32Å; R1523-S1548 WeakPolarHBondContact CD-OG 3.38Å; R1523-S1548 VanDerWaalsContact CG-O 3.25Å; R1523-S1548 WeakPolarHBondContact CG-O 3.26Å; S1544-S1548 PolarHBondContact O-N 2.89Å; H1545-S1548 CarbonylContact O-C 3.49Å; H1545-S1548 VanDerWaalsContact O-CB 3.3Å; H1545-S1548 WeakPolarHBondContact O-CB 3.45Å; H1545-S1548 PolarHBondContact O-N 3.26Å; I1546-S1548 PolarHBondContact O-N 3.17Å; S1548-F1550 VanDerWaalsContact C-N 3.26Å; S1548-F1550 PolarHBondContact O-N 3.32Å; S1548-Q1551 PolarHBondContact O-N 3.31Å; S1548-Q1551 VanDerWaalsContact O-N 3.17Å |
| 1549 | N | 89.4 | Confident | 86.6 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.8 | -17.2 | -177.6 | -68.3 | -10.8 | 0 | 0 | 0 | 113.4 | L1284 F1308 L1526 P1538 H1545 I1546 L1552 | L1284-N1549 WeakPolarHBondContact CD2-O 3.46Å; F1308-N1549 HydrophobicContact CZ-CB 4.3Å; L1526-N1549 HydrophobicContact CD1-CB 4.12Å; P1538-N1549 HydrophobicContact CG-CB 4.39Å; H1545-N1549 WeakPolarHBondContact O-CB 3.46Å; H1545-N1549 PolarHBondContact O-N 2.91Å; H1545-N1549 PolarHBondContact O-OD1 2.81Å; I1546-N1549 PolarHBondContact O-N 3.37Å; N1549-L1552 WeakPolarHBondContact O-CD1 3.4Å; N1549-L1552 VanDerWaalsContact O-CG 3.32Å; N1549-L1552 WeakPolarHBondContact O-CG 3.33Å |
| 1550 | F | 88.1 | Confident | 86.4 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -84.2 | -29.2 | 171.2 | -162 | -107.2 | 0 | 0 | 0 | 112.8 | L1284 V1306 G1307 F1308 I1546 S1548 L1552 | L1284-F1550 HydrophobicContact CD2-CB 4.47Å; L1284-F1550 HydrophobicContact CD2-CD2 3.69Å; L1284-F1550 HydrophobicContact CD2-CE2 4.36Å; L1284-F1550 HydrophobicContact CD2-CG 4.41Å; V1306-F1550 HydrophobicContact CG1-CB 3.48Å; V1306-F1550 VanDerWaalsContact CG1-CB 3.48Å; V1306-F1550 HydrophobicContact CG1-CD1 3.66Å; V1306-F1550 HydrophobicContact CG1-CD2 4.34Å; V1306-F1550 HydrophobicContact CG1-CE1 4.49Å; V1306-F1550 HydrophobicContact CG1-CG 3.57Å; V1306-F1550 WeakPolarHBondContact O-CD1 3.34Å; V1306-F1550 WeakPolarHBondContact O-CE1 3.36Å; G1307-F1550 WeakPolarHBondContact O-CE2 3.38Å; F1308-F1550 HydrophobicContact CD2-CB 4.35Å; F1308-F1550 AromaticContact CD2-CD2 3.61Å; F1308-F1550 HydrophobicContact CD2-CD2 3.61Å; F1308-F1550 HydrophobicContact CD2-CE2 4.36Å; F1308-F1550 HydrophobicContact CD2-CG 4.33Å; F1308-F1550 HydrophobicContact CE2-CB 3.8Å; F1308-F1550 AromaticContact CE2-CD2 3.74Å; F1308-F1550 HydrophobicContact CE2-CD2 3.74Å; F1308-F1550 HydrophobicContact CE2-CG 4.22Å; F1308-F1550 HydrophobicContact CG-CD2 4.24Å; F1308-F1550 HydrophobicContact CZ-CD2 4.43Å; I1546-F1550 WeakPolarHBondContact O-CB 3.39Å; I1546-F1550 PolarHBondContact O-N 3.05Å; S1548-F1550 VanDerWaalsContact C-N 3.26Å; S1548-F1550 PolarHBondContact O-N 3.32Å; F1550-L1552 PolarHBondContact O-N 2.94Å |
| 1551 | Q | 85.7 | Confident | 86.4 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | trans | -75.8 | 71.7 | 176.6 | -69.9 | 170.2 | -1.4 | 0 | 0 | 111 | R1523 V1547 S1548 D1554 | R1523-Q1551 PolarHBondContact NE-O 3.06Å; R1523-Q1551 VanDerWaalsContact NH1-OE1 3.1Å; R1523-Q1551 PolarHBondContact NH2-O 1.85Å; V1547-Q1551 WeakPolarHBondContact O-CG 3.04Å; V1547-Q1551 PolarHBondContact O-N 3.21Å; S1548-Q1551 PolarHBondContact O-N 3.31Å; S1548-Q1551 VanDerWaalsContact O-N 3.17Å; Q1551-D1554 VanDerWaalsContact O-OD1 3.04Å | ||
| 1552 | L | 86.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -119.6 | 2.6 | 177 | -55.7 | 177.1 | 0 | 0 | 0 | 113 | L1284 R1523 L1526 K1527 L1530 N1549 F1550 | L1284-L1552 HydrophobicContact CD1-CD1 4.12Å; L1284-L1552 HydrophobicContact CD2-CD1 4.25Å; R1523-L1552 HydrophobicContact CB-CD2 3.94Å; R1523-L1552 HydrophobicContact CG-CD2 3.95Å; R1523-L1552 WeakPolarHBondContact O-CD2 3.28Å; L1526-L1552 HydrophobicContact CB-CD1 3.67Å; L1526-L1552 HydrophobicContact CB-CD2 4.02Å; L1526-L1552 HydrophobicContact CD1-CD1 4.25Å; K1527-L1552 WeakPolarHBondContact CD-O 3.12Å; K1527-L1552 PolarHBondContact NZ-O 3.42Å; L1530-L1552 HydrophobicContact CD1-CB 3.63Å; L1530-L1552 HydrophobicContact CD1-CD1 3.5Å; L1530-L1552 HydrophobicContact CD1-CG 4.19Å; N1549-L1552 WeakPolarHBondContact O-CD1 3.4Å; N1549-L1552 VanDerWaalsContact O-CG 3.32Å; N1549-L1552 WeakPolarHBondContact O-CG 3.33Å; F1550-L1552 PolarHBondContact O-N 2.94Å | ||
| 1553 | F | 82.1 | Confident | 86.8 | Confident | 88 Ų | 88 | 46.9 Ų | 46.9 | 39% | 0.386 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -115.5 | 3.9 | -177.6 | -52.9 | -67.9 | 0 | 0 | 0 | 112.7 | K1271 L1530 | K1271-F1553 HydrophobicContact CB-CE1 3.88Å; K1271-F1553 HydrophobicContact CB-CZ 4.17Å; K1271-F1553 HydrophobicContact CD-CD1 4.26Å; K1271-F1553 HydrophobicContact CD-CE1 4.05Å; K1271-F1553 HydrophobicContact CG-CE1 4.38Å; L1530-F1553 HydrophobicContact CD1-CE1 4.33Å; L1530-F1553 HydrophobicContact CD1-CZ 4.36Å |
| 1554 | D | 78.3 | Confident | 87.1 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -104.4 | 11.9 | -178.1 | 65.8 | -47.9 | 0 | 0 | 0 | 113.7 | K1517 R1523 Q1551 | K1517-D1554 PolarHBondContact NZ-O 3.1Å; K1517-D1554 IonicContact NZ-OD2 3.94Å; K1517-D1554 PolarHBondContact NZ-OD2 2.99Å; R1523-D1554 IonicContact CZ-OD1 3.89Å; R1523-D1554 IonicContact CZ-OD2 2.75Å; R1523-D1554 IonicContact NH2-OD1 3.28Å; R1523-D1554 PolarHBondContact NH2-OD1 3Å; R1523-D1554 IonicContact NH2-OD2 2.81Å; R1523-D1554 PolarHBondContact NH2-OD2 2.92Å; Q1551-D1554 VanDerWaalsContact O-OD1 3.04Å |
| 1555 | F | 83.9 | Confident | 87.6 | Confident | 20 Ų | 20 | 42 Ų | 42 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | trans | -166 | 163.8 | 171.8 | 75.3 | -71.9 | 0 | 0 | 0 | 109.3 | H1515 R1523 I1524 K1527 L1557 | H1515-F1555 AromaticContact CE1-CD2 3.97Å; H1515-F1555 AromaticContact ND1-CD2 3.7Å; R1523-F1555 HydrophobicContact CB-CZ 4.35Å; I1524-F1555 HydrophobicContact CD1-CE2 3.8Å; I1524-F1555 HydrophobicContact CD1-CZ 4.11Å; K1527-F1555 HydrophobicContact CB-CE1 4.5Å; K1527-F1555 HydrophobicContact CB-CE2 4.08Å; K1527-F1555 HydrophobicContact CB-CZ 3.67Å; K1527-F1555 HydrophobicContact CD-CE1 4.43Å; K1527-F1555 HydrophobicContact CD-CE2 4.47Å; K1527-F1555 HydrophobicContact CD-CZ 4.21Å; K1527-F1555 WeakPolarHBondContact CE-O 3.35Å; K1527-F1555 HydrophobicContact CG-CE2 3.88Å; K1527-F1555 HydrophobicContact CG-CZ 3.82Å; K1527-F1555 PolarHBondContact NZ-O 2.85Å; F1555-L1557 HydrophobicContact CE2-CD2 3.99Å; F1555-L1557 HydrophobicContact CE2-CG 4.45Å | ||
| 1556 | E | 87.4 | Confident | 87.9 | Confident | 122 Ų | 122 | 42.6 Ų | 42.6 | 57% | 0.57 | 23% | 0.228 | S | C | * | . | trans | -134.7 | 149.1 | 170.4 | -46.1 | -137.9 | 105 | 0 | 0 | 110.8 | H1515 K1527 | H1515-E1556 PolarHBondContact CE1-O 3.1Å; K1527-E1556 IonicContact NZ-OE1 2.91Å; K1527-E1556 PolarHBondContact NZ-OE1 3.01Å | ||
| 1557 | L | 89.9 | Confident | 87.9 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | trans | -81.9 | 135.3 | 172.8 | -59.6 | 177.8 | 0 | 0 | 0 | 109.4 | I1511 I1524 K1527 W1528 Q1531 F1555 E1561 M1562 L1565 | I1511-L1557 HydrophobicContact CG2-CD2 3.72Å; I1524-L1557 HydrophobicContact CD1-CD2 4.16Å; I1524-L1557 HydrophobicContact CG2-CD1 4.37Å; I1524-L1557 HydrophobicContact CG2-CD2 4.3Å; K1527-L1557 HydrophobicContact CB-CD1 4.29Å; K1527-L1557 HydrophobicContact CB-CG 4.41Å; K1527-L1557 HydrophobicContact CG-CD1 4.23Å; K1527-L1557 HydrophobicContact CG-CG 3.94Å; W1528-L1557 HydrophobicContact CB-CD1 3.84Å; Q1531-L1557 PolarHBondContact NE2-O 2.92Å; F1555-L1557 HydrophobicContact CE2-CD2 3.99Å; F1555-L1557 HydrophobicContact CE2-CG 4.45Å; L1557-E1561 HydrophobicContact CB-CB 4.25Å; L1557-E1561 HydrophobicContact CD2-CB 4.49Å; L1557-M1562 HydrophobicContact CB-CG 3.96Å; L1557-M1562 HydrophobicContact CB-SD 3.94Å; L1557-M1562 HydrophobicContact CD1-SD 3.89Å; L1557-L1565 HydrophobicContact CD1-CD1 3.88Å | ||
| 1558 | N | 89.6 | Confident | 88 | Confident | 70 Ų | 70 | 43.8 Ų | 43.8 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | trans | -78.6 | 167.3 | 173.5 | 54.7 | 66.7 | 0 | 0 | 0 | 111.9 | A1560 E1561 M1562 | N1558-A1560 PolarHBondContact O-N 3.34Å; N1558-A1560 PolarHBondContact OD1-N 3.3Å; N1558-E1561 VanDerWaalsContact CG-CD 3.49Å; N1558-E1561 PolarHBondContact N-OE2 3.39Å; N1558-E1561 PolarHBondContact ND2-OE1 3.27Å; N1558-E1561 PolarHBondContact ND2-OE2 2.84Å; N1558-E1561 VanDerWaalsContact ND2-OE2 3.12Å; N1558-E1561 WeakPolarHBondContact O-CB 3.38Å; N1558-E1561 PolarHBondContact O-N 3.45Å; N1558-E1561 WeakPolarHBondContact OD1-CG 3.45Å; N1558-E1561 PolarHBondContact OD1-N 3.44Å; N1558-E1561 VanDerWaalsContact OD1-N 3.14Å; N1558-M1562 WeakPolarHBondContact O-CG 3.31Å; N1558-M1562 PolarHBondContact O-N 2.9Å | ||
| 1559 | D | 84.3 | Confident | 87.6 | Confident | 138 Ų | 138 | 51.8 Ų | 51.8 | 74% | 0.738 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.2 | -32.7 | -174.8 | -60.8 | -47.4 | 0 | 0 | 0 | 113.7 | K1563 | D1559-K1563 WeakPolarHBondContact O-CB 3.39Å; D1559-K1563 PolarHBondContact O-N 3.24Å |
| 1560 | A | 86.6 | Confident | 87.2 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 57% | 0.57 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -68.2 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1558 K1563 A1564 | N1558-A1560 PolarHBondContact O-N 3.34Å; N1558-A1560 PolarHBondContact OD1-N 3.3Å; A1560-K1563 PolarHBondContact O-N 2.74Å; A1560-A1564 VanDerWaalsContact O-CB 3.3Å; A1560-A1564 WeakPolarHBondContact O-CB 3.16Å; A1560-A1564 PolarHBondContact O-N 3Å |
| 1561 | E | 91.2 | Very high | 86.9 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 174.7 | -74.2 | 156.3 | -160.9 | 0 | 0 | 111.7 | I1511 K1514 H1515 L1557 N1558 K1563 L1565 | I1511-E1561 HydrophobicContact CD1-CB 4.03Å; I1511-E1561 HydrophobicContact CD1-CG 4.05Å; I1511-E1561 HydrophobicContact CG1-CG 4.09Å; I1511-E1561 HydrophobicContact CG2-CB 4.35Å; I1511-E1561 HydrophobicContact CG2-CG 4.01Å; K1514-E1561 WeakPolarHBondContact CE-OE1 3.42Å; K1514-E1561 IonicContact NZ-OE1 2.72Å; K1514-E1561 PolarHBondContact NZ-OE1 2.93Å; H1515-E1561 IonicContact CD2-OE2 2.71Å; H1515-E1561 IonicContact CE1-OE2 3.49Å; H1515-E1561 IonicContact NE2-OE1 3.94Å; H1515-E1561 IonicContact NE2-OE2 3.19Å; H1515-E1561 PolarHBondContact NE2-OE2 3.3Å; L1557-E1561 HydrophobicContact CB-CB 4.25Å; L1557-E1561 HydrophobicContact CD2-CB 4.49Å; N1558-E1561 VanDerWaalsContact CG-CD 3.49Å; N1558-E1561 PolarHBondContact N-OE2 3.39Å; N1558-E1561 PolarHBondContact ND2-OE1 3.27Å; N1558-E1561 PolarHBondContact ND2-OE2 2.84Å; N1558-E1561 VanDerWaalsContact ND2-OE2 3.12Å; N1558-E1561 WeakPolarHBondContact O-CB 3.38Å; N1558-E1561 PolarHBondContact O-N 3.45Å; N1558-E1561 WeakPolarHBondContact OD1-CG 3.45Å; N1558-E1561 PolarHBondContact OD1-N 3.44Å; N1558-E1561 VanDerWaalsContact OD1-N 3.14Å; E1561-K1563 PolarHBondContact O-N 2.89Å; E1561-L1565 WeakPolarHBondContact O-CB 3.25Å; E1561-L1565 WeakPolarHBondContact O-CD1 3.2Å; E1561-L1565 VanDerWaalsContact O-CG 3.25Å; E1561-L1565 WeakPolarHBondContact O-CG 3.39Å; E1561-L1565 PolarHBondContact O-N 2.83Å; E1561-L1565 VanDerWaalsContact O-N 3.08Å |
| 1562 | M | 96 | Very high | 86.5 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 173.4 | -72.1 | -65.6 | -66.9 | 0 | 0 | 112 | W1528 Q1531 R1532 L1557 N1558 N1566 | W1528-M1562 HydrophobicContact CB-SD 4.42Å; Q1531-M1562 HydrophobicContact CB-CE 3.48Å; Q1531-M1562 VanDerWaalsContact CB-CE 3.48Å; Q1531-M1562 HydrophobicContact CB-SD 3.75Å; R1532-M1562 HydrophobicContact CG-CE 4.08Å; L1557-M1562 HydrophobicContact CB-CG 3.96Å; L1557-M1562 HydrophobicContact CB-SD 3.94Å; L1557-M1562 HydrophobicContact CD1-SD 3.89Å; N1558-M1562 WeakPolarHBondContact O-CG 3.31Å; N1558-M1562 PolarHBondContact O-N 2.9Å; M1562-N1566 VanDerWaalsContact O-CG 3.23Å; M1562-N1566 PolarHBondContact O-N 2.94Å; M1562-N1566 VanDerWaalsContact O-N 3.13Å; M1562-N1566 PolarHBondContact O-ND2 2.81Å |
| 1563 | K | 89.8 | Confident | 86.1 | Confident | 50 Ų | 50 | 62 Ų | 62 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.3 | -47.1 | 178.5 | -175.4 | 158.1 | -176 | 163.2 | 0 | 112 | D1559 A1560 E1561 L1565 N1566 E1567 I1798 L1800 | D1559-K1563 WeakPolarHBondContact O-CB 3.39Å; D1559-K1563 PolarHBondContact O-N 3.24Å; A1560-K1563 PolarHBondContact O-N 2.74Å; E1561-K1563 PolarHBondContact O-N 2.89Å; K1563-L1565 VanDerWaalsContact C-N 3.3Å; K1563-L1565 PolarHBondContact O-N 3.33Å; K1563-N1566 WeakPolarHBondContact O-CB 3.48Å; K1563-N1566 PolarHBondContact O-N 3.09Å; K1563-E1567 WeakPolarHBondContact CE-OE1 3.49Å; K1563-E1567 HydrophobicContact CG-CG 4.25Å; K1563-E1567 IonicContact NZ-OE1 3.99Å; K1563-E1567 WeakPolarHBondContact O-CG 2.89Å; K1563-E1567 PolarHBondContact O-N 3.45Å; K1563-I1798 PolarHBondContact NZ-O 3.34Å; K1563-I1798 VanDerWaalsContact NZ-O 3.11Å; K1563-L1800 HydrophobicContact CD-CB 4.05Å; K1563-L1800 WeakPolarHBondContact CD-O 3.35Å |
| 1564 | A | 90 | Very high | 85.8 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1507 A1560 N1566 E1567 V1568 | L1507-A1564 HydrophobicContact CD1-CB 4.23Å; L1507-A1564 VanDerWaalsContact CD2-C 3.41Å; L1507-A1564 HydrophobicContact CD2-CB 3.71Å; L1507-A1564 VanDerWaalsContact CD2-O 3.31Å; L1507-A1564 WeakPolarHBondContact CD2-O 3.04Å; A1560-A1564 VanDerWaalsContact O-CB 3.3Å; A1560-A1564 WeakPolarHBondContact O-CB 3.16Å; A1560-A1564 PolarHBondContact O-N 3Å; A1564-N1566 VanDerWaalsContact C-N 3.35Å; A1564-N1566 PolarHBondContact O-N 3.07Å; A1564-E1567 PolarHBondContact O-N 3.3Å; A1564-V1568 PolarHBondContact O-N 2.87Å |
| 1565 | L | 93.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.5 | -32 | 176.3 | -69 | 168.7 | 0 | 0 | 0 | 112.8 | I1455 L1507 I1511 I1524 W1528 L1557 E1561 K1563 | I1455-L1565 HydrophobicContact CD1-CD2 3.53Å; L1507-L1565 HydrophobicContact CD2-CD2 3.96Å; L1507-L1565 HydrophobicContact CD2-CG 4.3Å; L1507-L1565 HydrophobicContact CG-CD2 4.1Å; I1511-L1565 HydrophobicContact CD1-CD1 3.91Å; I1511-L1565 HydrophobicContact CD1-CD2 3.96Å; I1511-L1565 HydrophobicContact CD1-CG 3.75Å; I1524-L1565 HydrophobicContact CG2-CD1 3.87Å; W1528-L1565 HydrophobicContact CB-CD1 3.78Å; W1528-L1565 HydrophobicContact CD2-CB 4.27Å; W1528-L1565 HydrophobicContact CG-CB 3.98Å; W1528-L1565 HydrophobicContact CG-CD1 3.89Å; L1557-L1565 HydrophobicContact CD1-CD1 3.88Å; E1561-L1565 WeakPolarHBondContact O-CB 3.25Å; E1561-L1565 WeakPolarHBondContact O-CD1 3.2Å; E1561-L1565 VanDerWaalsContact O-CG 3.25Å; E1561-L1565 WeakPolarHBondContact O-CG 3.39Å; E1561-L1565 PolarHBondContact O-N 2.83Å; E1561-L1565 VanDerWaalsContact O-N 3.08Å; K1563-L1565 VanDerWaalsContact C-N 3.3Å; K1563-L1565 PolarHBondContact O-N 3.33Å |
| 1566 | N | 93.5 | Very high | 84.6 | Confident | 46 Ų | 46 | 59 Ų | 59 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 172.8 | -71.9 | -26.4 | 0 | 0 | 0 | 112.4 | F1460 W1528 M1562 K1563 A1564 V1568 R1571 | F1460-N1566 HydrophobicContact CE1-CB 4.33Å; F1460-N1566 WeakPolarHBondContact CE1-OD1 3.31Å; F1460-N1566 HydrophobicContact CZ-CB 3.8Å; W1528-N1566 WeakPolarHBondContact CZ2-OD1 3.18Å; W1528-N1566 PolarHBondContact NE1-OD1 3.49Å; M1562-N1566 VanDerWaalsContact O-CG 3.23Å; M1562-N1566 PolarHBondContact O-N 2.94Å; M1562-N1566 VanDerWaalsContact O-N 3.13Å; M1562-N1566 PolarHBondContact O-ND2 2.81Å; K1563-N1566 WeakPolarHBondContact O-CB 3.48Å; K1563-N1566 PolarHBondContact O-N 3.09Å; A1564-N1566 VanDerWaalsContact C-N 3.35Å; A1564-N1566 PolarHBondContact O-N 3.07Å; N1566-V1568 VanDerWaalsContact C-N 3.32Å; N1566-V1568 PolarHBondContact O-N 3.2Å; N1566-R1571 PolarHBondContact O-NH2 3.22Å |
| 1567 | E | 89.7 | Confident | 83.1 | Confident | 58 Ų | 58 | 57 Ų | 57 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.8 | -2.9 | -172.5 | -71.7 | -174.6 | 167.6 | 0 | 0 | 114.9 | K1563 A1564 K1569 | K1563-E1567 WeakPolarHBondContact CE-OE1 3.49Å; K1563-E1567 HydrophobicContact CG-CG 4.25Å; K1563-E1567 IonicContact NZ-OE1 3.99Å; K1563-E1567 WeakPolarHBondContact O-CG 2.89Å; K1563-E1567 PolarHBondContact O-N 3.45Å; A1564-E1567 PolarHBondContact O-N 3.3Å; E1567-K1569 PolarHBondContact O-N 3.5Å |
| 1568 | V | 87.1 | Confident | 80.9 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 11% | 0.109 | 29% | 0.291 | C | S | . | . | trans | -52.7 | 109.4 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | I1455 Y1456 L1507 A1564 N1566 I1570 R1571 | I1455-V1568 HydrophobicContact CD1-CB 4.36Å; I1455-V1568 HydrophobicContact CD1-CG2 3.71Å; I1455-V1568 HydrophobicContact CG1-CB 4.12Å; I1455-V1568 HydrophobicContact CG1-CG1 4.39Å; I1455-V1568 HydrophobicContact CG1-CG2 4Å; Y1456-V1568 HydrophobicContact CD1-CG1 4.05Å; Y1456-V1568 HydrophobicContact CE1-CG1 4.05Å; L1507-V1568 HydrophobicContact CD2-CG2 3.91Å; A1564-V1568 PolarHBondContact O-N 2.87Å; N1566-V1568 VanDerWaalsContact C-N 3.32Å; N1566-V1568 PolarHBondContact O-N 3.2Å; V1568-I1570 HydrophobicContact CG1-CB 4.2Å; V1568-I1570 HydrophobicContact CG1-CD1 4.26Å; V1568-I1570 HydrophobicContact CG1-CG1 4.45Å; V1568-I1570 PolarHBondContact O-N 3.3Å; V1568-I1570 VanDerWaalsContact O-N 3.14Å; V1568-R1571 PolarHBondContact O-NH1 2.74Å; V1568-R1571 PolarHBondContact O-NH2 3.23Å; V1568-R1571 VanDerWaalsContact O-NH2 3.15Å | ||
| 1569 | K | 77.1 | Confident | 78.6 | Confident | 191 Ų | 191 | 57.4 Ų | 57.4 | 83% | 0.83 | 28% | 0.281 | S | S | * | . | trans | -68.7 | -12.8 | -171.3 | -66.8 | -168.6 | 175.7 | -172.9 | 0 | 115.3 | E1567 R1571 | E1567-K1569 PolarHBondContact O-N 3.5Å; K1569-R1571 PolarHBondContact O-N 3.29Å | ||
| 1570 | I | 80.3 | Confident | 76.4 | Confident | 48 Ų | 48 | 55 Ų | 55 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | trans | -68.6 | 121.9 | 178.8 | -59.7 | 156.4 | 0 | 0 | 0 | 108.4 | Y1456 V1568 Q1572 | Y1456-I1570 WeakPolarHBondContact CA-O 3.44Å; Y1456-I1570 HydrophobicContact CD1-CB 3.59Å; Y1456-I1570 HydrophobicContact CD1-CD1 4.21Å; Y1456-I1570 HydrophobicContact CD1-CG2 3.55Å; Y1456-I1570 HydrophobicContact CD2-CG2 4.18Å; Y1456-I1570 HydrophobicContact CE1-CB 3.97Å; Y1456-I1570 HydrophobicContact CE1-CD1 3.65Å; Y1456-I1570 HydrophobicContact CE1-CG1 4.44Å; Y1456-I1570 HydrophobicContact CE1-CG2 4.02Å; Y1456-I1570 HydrophobicContact CG-CB 4.21Å; Y1456-I1570 HydrophobicContact CG-CG2 3.67Å; V1568-I1570 HydrophobicContact CG1-CB 4.2Å; V1568-I1570 HydrophobicContact CG1-CD1 4.26Å; V1568-I1570 HydrophobicContact CG1-CG1 4.45Å; V1568-I1570 PolarHBondContact O-N 3.3Å; V1568-I1570 VanDerWaalsContact O-N 3.14Å; I1570-Q1572 HydrophobicContact CG2-CB 4.48Å | ||
| 1571 | R | 81.7 | Confident | 73.8 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | trans | -123 | 107.6 | 174.5 | -61 | -63.9 | 170.9 | -125 | 4.2 | 108.8 | I1455 Y1456 N1566 V1568 K1569 | I1455-R1571 PolarHBondContact O-NH1 2.89Å; Y1456-R1571 CarbonylContact O-C 3.43Å; Y1456-R1571 VanDerWaalsContact O-CA 3.27Å; Y1456-R1571 WeakPolarHBondContact O-CA 3.34Å; N1566-R1571 PolarHBondContact O-NH2 3.22Å; V1568-R1571 PolarHBondContact O-NH1 2.74Å; V1568-R1571 PolarHBondContact O-NH2 3.23Å; V1568-R1571 VanDerWaalsContact O-NH2 3.15Å; K1569-R1571 PolarHBondContact O-N 3.29Å | ||
| 1572 | Q | 77.5 | Confident | 70.9 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | trans | -145.5 | 125.5 | -173.6 | 173.6 | 156.3 | 62.7 | 0 | 0 | 110 | H1454 Y1456 I1570 | H1454-Q1572 PolarHBondContact CE1-O 3.06Å; Y1456-Q1572 PolarHBondContact O-N 3.29Å; I1570-Q1572 HydrophobicContact CG2-CB 4.48Å | ||
| 1573 | R | 78.3 | Confident | 67.9 | Low | 97 Ų | 97 | 59.3 Ų | 59.3 | 37% | 0.366 | 29% | 0.29 | S | S | . | . | trans | -83.5 | 129.7 | 165.3 | -169.7 | 177 | -84.3 | -89.7 | 13.6 | 109.2 | E1452 L1457 Q1499 F1575 | E1452-R1573 WeakPolarHBondContact OE2-CG 3.31Å; E1452-R1573 IonicContact OE2-CZ 2.78Å; E1452-R1573 IonicContact OE2-NE 2.69Å; E1452-R1573 IonicContact OE2-NH1 3.8Å; E1452-R1573 PolarHBondContact OE2-NH1 2.89Å; L1457-R1573 HydrophobicContact CD2-CB 4.36Å; L1457-R1573 HydrophobicContact CD2-CG 4.1Å; Q1499-R1573 PolarHBondContact NE2-O 3.34Å; R1573-F1575 WeakPolarHBondContact CD-O 3.42Å | ||
| 1574 | I | 76.3 | Confident | 65 | Low | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -93.3 | -31.1 | -178.5 | -61.7 | -178 | 0 | 0 | 0 | 110.6 | E1452 H1454 P1502 P1576 | E1452-I1574 VanDerWaalsContact OE1-CA 3.32Å; E1452-I1574 WeakPolarHBondContact OE1-CA 3.06Å; E1452-I1574 WeakPolarHBondContact OE1-CB 3.3Å; E1452-I1574 PolarHBondContact OE1-N 3.1Å; H1454-I1574 WeakPolarHBondContact NE2-CD1 3.3Å; P1502-I1574 HydrophobicContact CG-CD1 3.54Å; I1574-P1576 WeakPolarHBondContact O-CD 3.34Å |
| 1575 | F | 75.3 | Confident | 62 | Low | 41 Ų | 41 | 67.3 Ų | 67.3 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -111.5 | 69.3 | 173.8 | -63.4 | -92.2 | 0 | 0 | 0 | 111.1 | W1289 E1452 Y1476 S1477 R1484 R1573 F1577 | W1289-F1575 AromaticContact CH2-CE1 3.53Å; W1289-F1575 HydrophobicContact CH2-CE1 3.53Å; W1289-F1575 AromaticContact CH2-CZ 3.87Å; W1289-F1575 HydrophobicContact CH2-CZ 3.87Å; W1289-F1575 HydrophobicContact CZ2-CE1 4.15Å; W1289-F1575 AromaticContact CZ3-CE1 3.84Å; W1289-F1575 HydrophobicContact CZ3-CE1 3.84Å; W1289-F1575 AromaticContact CZ3-CZ 3.71Å; W1289-F1575 HydrophobicContact CZ3-CZ 3.71Å; E1452-F1575 HydrophobicContact CG-CD2 4.29Å; E1452-F1575 PolarHBondContact OE1-N 3.11Å; Y1476-F1575 HydrophobicContact CE2-CD2 4.24Å; Y1476-F1575 HydrophobicContact CE2-CG 4.42Å; S1477-F1575 WeakPolarHBondContact OG-CE2 3.45Å; R1484-F1575 HydrophobicContact CB-CE1 4.32Å; R1484-F1575 HydrophobicContact CB-CZ 4.04Å; R1573-F1575 WeakPolarHBondContact CD-O 3.42Å; F1575-F1577 WeakPolarHBondContact O-CD2 3.49Å; F1575-F1577 WeakPolarHBondContact O-CE2 3.47Å; F1575-F1577 PolarHBondContact O-N 2.61Å |
| 1576 | P | 61.2 | Low | 58.8 | Low | 48 Ų | 48 | 71.1 Ų | 71.1 | 31% | 0.312 | 36% | 0.358 | S | S | . | . | trans | -67.4 | 132.9 | 177 | 30.4 | -34.8 | 0 | 0 | 0 | 110.8 | V1494 I1574 L1578 | V1494-P1576 HydrophobicContact CG2-CG 3.66Å; I1574-P1576 WeakPolarHBondContact O-CD 3.34Å; P1576-L1578 HydrophobicContact CB-CD1 4.27Å; P1576-L1578 HydrophobicContact CB-CG 4.16Å; P1576-L1578 HydrophobicContact CG-CD1 3.9Å; P1576-L1578 HydrophobicContact CG-CG 4.32Å; P1576-L1578 PolarHBondContact O-N 3.28Å | ||
| 1577 | F | 55.9 | Low | 55.5 | Low | 78 Ų | 78 | 76 Ų | 76 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | trans | -80.5 | 53.8 | 177.2 | -69.7 | -92.8 | 0 | 0 | 0 | 110.9 | N1429 F1575 W1579 C1580 | N1429-F1577 HydrophobicContact CB-CE1 4.38Å; N1429-F1577 HydrophobicContact CB-CE2 4.31Å; N1429-F1577 HydrophobicContact CB-CZ 3.8Å; N1429-F1577 WeakPolarHBondContact OD1-CZ 3.36Å; F1575-F1577 WeakPolarHBondContact O-CD2 3.49Å; F1575-F1577 WeakPolarHBondContact O-CE2 3.47Å; F1575-F1577 PolarHBondContact O-N 2.61Å; F1577-W1579 PolarHBondContact O-N 2.67Å; F1577-C1580 PolarHBondContact O-N 3.11Å | ||
| 1578 | L | 43.1 | Very low | 52.4 | Low | 45 Ų | 45 | 79.2 Ų | 79.2 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -4 | -178.4 | -87.2 | 163.5 | 0 | 0 | 0 | 114.5 | V1494 P1576 C1580 D1581 L1582 | V1494-L1578 HydrophobicContact CG2-CD1 3.25Å; P1576-L1578 HydrophobicContact CB-CD1 4.27Å; P1576-L1578 HydrophobicContact CB-CG 4.16Å; P1576-L1578 HydrophobicContact CG-CD1 3.9Å; P1576-L1578 HydrophobicContact CG-CG 4.32Å; P1576-L1578 PolarHBondContact O-N 3.28Å; L1578-C1580 PolarHBondContact O-N 3.16Å; L1578-D1581 HydrophobicContact CD2-CB 4Å; L1578-D1581 WeakPolarHBondContact CD2-OD2 3.45Å; L1578-D1581 CarbonylContact O-C 3.58Å; L1578-D1581 PolarHBondContact O-N 2.98Å; L1578-L1582 WeakPolarHBondContact O-CB 3.27Å; L1578-L1582 PolarHBondContact O-N 3.29Å |
| 1579 | W | 42.3 | Very low | 49.5 | Very low | 41 Ų | 41 | 84.1 Ų | 84.1 | 16% | 0.155 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -56.2 | -30.5 | 171.1 | -67.3 | 87.2 | 0 | 0 | 0 | 113.2 | L1398 S1399 L1489 I1492 F1577 V1583 | L1398-W1579 HydrophobicContact CB-CH2 4.25Å; L1398-W1579 HydrophobicContact CB-CZ3 3.7Å; L1398-W1579 HydrophobicContact CD2-CE3 4.3Å; L1398-W1579 HydrophobicContact CD2-CH2 3.67Å; L1398-W1579 HydrophobicContact CD2-CZ2 4.47Å; L1398-W1579 HydrophobicContact CD2-CZ3 3.55Å; L1398-W1579 HydrophobicContact CG-CZ3 4.23Å; S1399-W1579 VanDerWaalsContact OG-CZ3 3.22Å; S1399-W1579 WeakPolarHBondContact OG-CZ3 3.37Å; L1489-W1579 HydrophobicContact CD1-CZ2 4.11Å; L1489-W1579 HydrophobicContact CD2-CZ2 4.01Å; I1492-W1579 HydrophobicContact CD1-CZ2 4.48Å; F1577-W1579 PolarHBondContact O-N 2.67Å; W1579-V1583 VanDerWaalsContact O-CG2 3.26Å; W1579-V1583 WeakPolarHBondContact O-CG2 3.48Å; W1579-V1583 PolarHBondContact O-N 3.45Å; W1579-V1583 VanDerWaalsContact O-N 3.14Å |
| 1580 | C | 37.1 | Very low | 47 | Very low | 87 Ų | 87 | 79.4 Ų | 79.4 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.3 | -46.4 | 171 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | F1577 L1578 T1584 | F1577-C1580 PolarHBondContact O-N 3.11Å; L1578-C1580 PolarHBondContact O-N 3.16Å; C1580-T1584 PolarHBondContact O-N 2.81Å; C1580-T1584 PolarHBondContact O-OG1 3.31Å; C1580-T1584 VanDerWaalsContact O-OG1 3.13Å |
| 1581 | D | 32.7 | Very low | 44.3 | Very low | 94 Ų | 94 | 84 Ų | 84 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -76.2 | -28.5 | -177.5 | -56.7 | -28.7 | 0 | 0 | 0 | 112.1 | L1578 T1584 Q1585 | L1578-D1581 HydrophobicContact CD2-CB 4Å; L1578-D1581 WeakPolarHBondContact CD2-OD2 3.45Å; L1578-D1581 CarbonylContact O-C 3.58Å; L1578-D1581 PolarHBondContact O-N 2.98Å; D1581-T1584 CarbonylContact O-C 3.58Å; D1581-T1584 VanDerWaalsContact O-CA 3.32Å; D1581-T1584 WeakPolarHBondContact O-CA 3.37Å; D1581-T1584 WeakPolarHBondContact O-CB 3.42Å; D1581-T1584 PolarHBondContact O-N 3.13Å; D1581-T1584 VanDerWaalsContact O-N 3.11Å; D1581-Q1585 PolarHBondContact O-N 3.12Å |
| 1582 | L | 31.4 | Very low | 41.7 | Very low | 32 Ų | 32 | 82.8 Ų | 82.8 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -80.3 | -27.6 | 177.7 | -152.6 | 79.9 | 0 | 0 | 0 | 112.6 | L1398 I1492 L1578 T1584 Q1585 C1586 | L1398-L1582 HydrophobicContact CD1-CD2 3.54Å; L1398-L1582 HydrophobicContact CD1-CG 4.4Å; L1398-L1582 HydrophobicContact CD2-CD2 3.45Å; L1398-L1582 VanDerWaalsContact CD2-CD2 3.45Å; L1398-L1582 HydrophobicContact CG-CD2 4.13Å; I1492-L1582 HydrophobicContact CG2-CD1 4.28Å; I1492-L1582 HydrophobicContact CG2-CD2 3.76Å; L1578-L1582 WeakPolarHBondContact O-CB 3.27Å; L1578-L1582 PolarHBondContact O-N 3.29Å; L1582-T1584 PolarHBondContact O-N 2.96Å; L1582-Q1585 HydrophobicContact CD1-CB 4.22Å; L1582-Q1585 CarbonylContact O-C 3.47Å; L1582-Q1585 PolarHBondContact O-N 2.98Å; L1582-C1586 PolarHBondContact O-N 2.91Å |
| 1583 | V | 32.2 | Very low | 39.1 | Very low | 65 Ų | 65 | 89.7 Ų | 89.7 | 39% | 0.394 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -26.7 | 162.5 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | P1401 W1579 Q1585 | P1401-V1583 HydrophobicContact CG-CG2 4.2Å; W1579-V1583 VanDerWaalsContact O-CG2 3.26Å; W1579-V1583 WeakPolarHBondContact O-CG2 3.48Å; W1579-V1583 PolarHBondContact O-N 3.45Å; W1579-V1583 VanDerWaalsContact O-N 3.14Å; V1583-Q1585 VanDerWaalsContact C-N 3.32Å |
| 1584 | T | 29.3 | Very low | 36.6 | Very low | 108 Ų | 108 | 92.3 Ų | 92.3 | 66% | 0.663 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -80.5 | -3 | 169 | -39.9 | 0 | 0 | 0 | 0 | 114 | C1580 D1581 L1582 | C1580-T1584 PolarHBondContact O-N 2.81Å; C1580-T1584 PolarHBondContact O-OG1 3.31Å; C1580-T1584 VanDerWaalsContact O-OG1 3.13Å; D1581-T1584 CarbonylContact O-C 3.58Å; D1581-T1584 VanDerWaalsContact O-CA 3.32Å; D1581-T1584 WeakPolarHBondContact O-CA 3.37Å; D1581-T1584 WeakPolarHBondContact O-CB 3.42Å; D1581-T1584 PolarHBondContact O-N 3.13Å; D1581-T1584 VanDerWaalsContact O-N 3.11Å; L1582-T1584 PolarHBondContact O-N 2.96Å |
| 1585 | Q | 26.5 | Very low | 34 | Very low | 132 Ų | 132 | 96.5 Ų | 96.5 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -110.5 | -33.4 | 173.2 | -68.7 | -172.7 | 3.7 | 0 | 0 | 113.6 | D1581 L1582 V1583 | D1581-Q1585 PolarHBondContact O-N 3.12Å; L1582-Q1585 HydrophobicContact CD1-CB 4.22Å; L1582-Q1585 CarbonylContact O-C 3.47Å; L1582-Q1585 PolarHBondContact O-N 2.98Å; V1583-Q1585 VanDerWaalsContact C-N 3.32Å |
| 1586 | C | 25.9 | Very low | 31.6 | Very low | 80 Ų | 80 | 99.5 Ų | 99.5 | 54% | 0.541 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.1 | -26.1 | 178 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | L1398 L1582 Q1588 | L1398-C1586 WeakPolarHBondContact CD1-SG 3.47Å; L1582-C1586 PolarHBondContact O-N 2.91Å; C1586-Q1588 PolarHBondContact O-N 3.4Å |
| 1587 | H | 24.3 | Very low | 29.8 | Very low | 149 Ų | 149 | 102 Ų | 102 | 69% | 0.69 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -84.1 | 106.1 | 159.4 | -74.2 | 135.9 | 0 | 0 | 0 | 110.2 | ||
| 1588 | Q | 24.5 | Very low | 28.2 | Very low | 124 Ų | 124 | 106.3 Ų | 106.3 | 58% | 0.579 | 59% | 0.593 | S | S | * | * | trans | 76.7 | 61.6 | 166 | -51.8 | -171.9 | 7.1 | 0 | 0 | 118.6 | C1586 A1590 | C1586-Q1588 PolarHBondContact O-N 3.4Å; Q1588-A1590 PolarHBondContact O-N 3.23Å | ||
| 1589 | S | 26 | Very low | 27.1 | Very low | 121 Ų | 121 | 109.4 Ų | 109.4 | 85% | 0.846 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | -60.9 | 112.2 | 115.4 | -65.9 | 0 | 0 | 0 | 0 | 107.2 | |||
| 1590 | A | 24.6 | Very low | 26.2 | Very low | 92 Ų | 92 | 116.1 Ų | 116.1 | 76% | 0.76 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -148.7 | 41.7 | 19.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1588 | Q1588-A1590 PolarHBondContact O-N 3.23Š|
| 1591 | L | 25.1 | Very low | 25.4 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 76% | 0.759 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -6.8 | -170.7 | -141.2 | 74.6 | 0 | 0 | 0 | 117.6 | ||
| 1592 | L | 25.9 | Very low | 24.9 | Very low | 100 Ų | 100 | 129 Ų | 129 | 52% | 0.524 | 68% | 0.68 | S | S | . | * | trans | -125.9 | 33.5 | 179.3 | -146.2 | 75.7 | 0 | 0 | 0 | 115.5 | I1594 T1595 | L1592-I1594 PolarHBondContact O-N 3.45Å; L1592-T1595 WeakPolarHBondContact CD1-OG1 3.42Å | ||
| 1593 | F | 23.1 | Very low | 24.7 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 87% | 0.868 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 3.6 | 174.2 | -153.4 | -95.9 | 0 | 0 | 0 | 114.3 | ||
| 1594 | I | 25 | Very low | 24.3 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -27.5 | -168.3 | -66.6 | 179.3 | 0 | 0 | 0 | 113.4 | L1592 | L1592-I1594 PolarHBondContact O-N 3.45Š|
| 1595 | T | 23.2 | Very low | 24.1 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -14.1 | -162.7 | -36.2 | 0 | 0 | 0 | 0 | 115.6 | L1592 | L1592-T1595 WeakPolarHBondContact CD1-OG1 3.42Š|
| 1596 | V | 23.9 | Very low | 24.1 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -93.7 | -20.1 | -177 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | L1598 C1599 | V1596-L1598 PolarHBondContact O-N 2.96Å; V1596-C1599 PolarHBondContact O-N 3.37Å |
| 1597 | S | 23.8 | Very low | 24 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 5.1 | -174 | -52.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1598 | L | 21.9 | Very low | 23.9 | Very low | 167 Ų | 167 | 135.5 Ų | 135.5 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 5.6 | 179.1 | -75 | 174.1 | 0 | 0 | 0 | 114.6 | V1596 | V1596-L1598 PolarHBondContact O-N 2.96Š|
| 1599 | C | 21.4 | Very low | 23.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -113.4 | 37.6 | 178.7 | -71.2 | 0 | 0 | 0 | 0 | 113.6 | V1596 | V1596-C1599 PolarHBondContact O-N 3.37Š| ||
| 1600 | Q | 21.8 | Very low | 23.6 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | -91.2 | 86.5 | 156.7 | -73.7 | -168.8 | -2.6 | 0 | 0 | 109.7 | ||||
| 1601 | W | 21.8 | Very low | 23.4 | Very low | 229 Ų | 229 | 138.3 Ų | 138.3 | 87% | 0.867 | 69% | 0.694 | S | S | * | * | trans | -179.8 | 157.3 | 144.8 | -101.6 | 31.1 | 0 | 0 | 0 | 111.7 | ||||
| 1602 | W | 22.1 | Very low | 23.3 | Very low | 221 Ų | 221 | 141.8 Ų | 141.8 | 84% | 0.837 | 70% | 0.698 | S | S | * | * | trans | 60.7 | 97 | 177.2 | -85.6 | -47 | 0 | 0 | 0 | 120.8 | ||||
| 1603 | D | 25.7 | Very low | 23.3 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 57% | 0.572 | 72% | 0.716 | S | S | * | * | 70.6 | 139.3 | 120.2 | -128.5 | -41 | 0 | 0 | 0 | 122.5 | N1789 | D1603-N1789 PolarHBondContact OD1-ND2 2.81Å; D1603-N1789 PolarHBondContact OD2-ND2 3.06Å; D1603-N1789 VanDerWaalsContact OD2-ND2 3.13Å | |||
| 1604 | L | 24.7 | Very low | 23.3 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 85% | 0.848 | 70% | 0.703 | S | S | * | * | trans | -159.3 | 48.5 | -177.8 | -127.9 | 173.4 | 0 | 0 | 0 | 116 | ||||
| 1605 | E | 24.7 | Very low | 23.3 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 41% | 0.411 | 69% | 0.693 | S | S | . | * | trans | -113.6 | 121.9 | 153.4 | -91.3 | -160.3 | -138.4 | 0 | 0 | 109.1 | ||||
| 1606 | R | 27.1 | Very low | 23.5 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 43% | 0.426 | 70% | 0.7 | S | S | . | * | cis | -146.7 | 152.8 | 6.1 | -55.5 | -179 | 175.2 | 175 | 0.5 | 110.7 | C1785 M1788 | R1606-C1785 PolarHBondContact O-SG 2.9Å; R1606-M1788 PolarHBondContact NH1-SD 3.37Å | ||
| 1607 | G | 22.8 | Very low | 23.9 | Very low | 53 Ų | 53 | 140.9 Ų | 140.9 | 55% | 0.546 | 68% | 0.681 | S | S | . | * | trans | 179.8 | 89.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1608 | R | 23 | Very low | 24.4 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | trans | -113 | 97.4 | 168.2 | -85 | -168.3 | 177.2 | 170.7 | 5.4 | 111.4 | S1433 | S1433-R1608 PolarHBondContact O-NH1 3.44Å; S1433-R1608 PolarHBondContact OG-NH1 3.27Å; S1433-R1608 PolarHBondContact OG-NH2 3.14Å | ||
| 1609 | T | 21.5 | Very low | 25.1 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 68% | 0.681 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -160.7 | 113.7 | 156.6 | 18.9 | 0 | 0 | 0 | 0 | 111.1 | A1611 | T1609-A1611 PolarHBondContact O-N 2.81Å; T1609-A1611 VanDerWaalsContact O-N 3.11Å |
| 1610 | Y | 21.9 | Very low | 26.1 | Very low | 225 Ų | 225 | 134.3 Ų | 134.3 | 88% | 0.882 | 63% | 0.629 | S | S | * | * | trans | 42.2 | 46.9 | 153.5 | -65.5 | -78.5 | 0 | 0 | 0 | 120.4 | Y1612 | Y1610-Y1612 PolarHBondContact O-N 2.65Š| ||
| 1611 | A | 21.2 | Very low | 27.1 | Very low | 60 Ų | 60 | 125.7 Ų | 125.7 | 50% | 0.496 | 59% | 0.589 | S | S | . | * | trans | -71.8 | 3.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1609 M1613 I1615 | T1609-A1611 PolarHBondContact O-N 2.81Å; T1609-A1611 VanDerWaalsContact O-N 3.11Å; A1611-M1613 PolarHBondContact O-N 2.85Å; A1611-I1615 HydrophobicContact CB-CD1 4Å | ||
| 1612 | Y | 22.8 | Very low | 28.1 | Very low | 218 Ų | 218 | 120 Ų | 120 | 86% | 0.855 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 9.9 | -150.5 | -101.6 | -70.6 | 0 | 0 | 0 | 117.9 | Y1610 | Y1610-Y1612 PolarHBondContact O-N 2.65Š|
| 1613 | M | 25.3 | Very low | 29.4 | Very low | 183 Ų | 183 | 111.1 Ų | 111.1 | 90% | 0.901 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | 1.4 | -177.6 | -90.5 | -179.4 | 164.6 | 0 | 0 | 116.4 | A1611 | A1611-M1613 PolarHBondContact O-N 2.85Š|
| 1614 | L | 24.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 111.4 Ų | 111.4 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.2 | -9.2 | -178.4 | -103.8 | 162.5 | 0 | 0 | 0 | 116 | ||
| 1615 | I | 23.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 105 Ų | 105 | 59% | 0.585 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -84.9 | -18.2 | -171.2 | -67.7 | -172.5 | 0 | 0 | 0 | 114.1 | A1611 | A1611-I1615 HydrophobicContact CB-CD1 4Š|
| 1616 | Y | 28.5 | Very low | 35.3 | Very low | 185 Ų | 185 | 106.2 Ų | 106.2 | 73% | 0.725 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -112.2 | -1.1 | -169.6 | -105.4 | -86.7 | 0 | 0 | 0 | 117.8 | ||
| 1617 | V | 31.8 | Very low | 36.8 | Very low | 37 Ų | 37 | 104.1 Ų | 104.1 | 22% | 0.224 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -78.9 | -28.7 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | V1619 I1620 S1621 D1644 | V1617-V1619 VanDerWaalsContact C-N 3.26Å; V1617-V1619 PolarHBondContact O-N 3.49Å; V1617-I1620 CarbonylContact O-C 3.58Å; V1617-I1620 WeakPolarHBondContact O-CA 3.35Å; V1617-I1620 WeakPolarHBondContact O-CB 3.39Å; V1617-I1620 PolarHBondContact O-N 2.74Å; V1617-S1621 PolarHBondContact O-N 2.88Å; V1617-D1644 HydrophobicContact CG1-CB 4.16Å |
| 1618 | F | 33.4 | Very low | 38.7 | Very low | 113 Ų | 113 | 101.6 Ų | 101.6 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -28.3 | -178.6 | -165.1 | -93.6 | 0 | 0 | 0 | 113.8 | S1621 Q1622 Y1649 | F1618-S1621 PolarHBondContact O-OG 3.28Å; F1618-Q1622 HydrophobicContact CD1-CG 4.1Å; F1618-Q1622 HydrophobicContact CE1-CG 3.78Å; F1618-Q1622 HydrophobicContact CZ-CG 4.27Å; F1618-Q1622 WeakPolarHBondContact O-CG 3.31Å; F1618-Q1622 PolarHBondContact O-N 3.43Å; F1618-Q1622 VanDerWaalsContact O-N 3.1Å; F1618-Y1649 HydrophobicContact CE2-CE1 4.29Å |
| 1619 | V | 37.6 | Very low | 41.2 | Very low | 85 Ų | 85 | 96.2 Ų | 96.2 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.7 | -34.9 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | V1617 Q1622 S1623 | V1617-V1619 VanDerWaalsContact C-N 3.26Å; V1617-V1619 PolarHBondContact O-N 3.49Å; V1619-Q1622 PolarHBondContact O-N 2.8Å; V1619-S1623 PolarHBondContact O-N 3.5Å; V1619-S1623 PolarHBondContact O-OG 3.03Å |
| 1620 | I | 41.5 | Very low | 43.3 | Very low | 42 Ų | 42 | 94.2 Ų | 94.2 | 22% | 0.215 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.8 | -48.7 | 172.4 | -58.1 | 178.7 | 0 | 0 | 0 | 108.8 | V1617 Q1622 S1623 L1628 L1632 | V1617-I1620 CarbonylContact O-C 3.58Å; V1617-I1620 WeakPolarHBondContact O-CA 3.35Å; V1617-I1620 WeakPolarHBondContact O-CB 3.39Å; V1617-I1620 PolarHBondContact O-N 2.74Å; I1620-Q1622 PolarHBondContact O-N 2.9Å; I1620-Q1622 VanDerWaalsContact O-N 3.11Å; I1620-S1623 VanDerWaalsContact O-CB 3.26Å; I1620-S1623 WeakPolarHBondContact O-CB 3.4Å; I1620-S1623 PolarHBondContact O-N 2.73Å; I1620-L1628 HydrophobicContact CG2-CD1 3.34Å; I1620-L1628 WeakPolarHBondContact O-CD1 3.31Å; I1620-L1632 HydrophobicContact CG2-CD2 4.3Å; I1620-L1632 HydrophobicContact CG2-CG 4.18Å |
| 1621 | S | 43.2 | Very low | 45 | Very low | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.014 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -0.3 | 179.4 | 78.9 | 0 | 0 | 0 | 0 | 115.1 | V1617 F1618 Y1649 N1651 | V1617-S1621 PolarHBondContact O-N 2.88Å; F1618-S1621 PolarHBondContact O-OG 3.28Å; S1621-Y1649 WeakPolarHBondContact O-CB 3.4Å; S1621-Y1649 WeakPolarHBondContact OG-CE2 3.45Å; S1621-N1651 VanDerWaalsContact C-ND2 3.32Å; S1621-N1651 PolarHBondContact O-ND2 3.34Å |
| 1622 | Q | 43.5 | Very low | 47.3 | Very low | 110 Ų | 110 | 82.4 Ų | 82.4 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -7 | 165.3 | -70.5 | -67 | -72.1 | 0 | 0 | 112.9 | F1618 V1619 I1620 | F1618-Q1622 HydrophobicContact CD1-CG 4.1Å; F1618-Q1622 HydrophobicContact CE1-CG 3.78Å; F1618-Q1622 HydrophobicContact CZ-CG 4.27Å; F1618-Q1622 WeakPolarHBondContact O-CG 3.31Å; F1618-Q1622 PolarHBondContact O-N 3.43Å; F1618-Q1622 VanDerWaalsContact O-N 3.1Å; V1619-Q1622 PolarHBondContact O-N 2.8Å; I1620-Q1622 PolarHBondContact O-N 2.9Å; I1620-Q1622 VanDerWaalsContact O-N 3.11Å |
| 1623 | S | 48.3 | Very low | 49.7 | Very low | 34 Ų | 34 | 77.5 Ų | 77.5 | 24% | 0.238 | 40% | 0.4 | C | S | . | . | trans | -74.6 | 144.1 | 171.2 | -61.2 | 0 | 0 | 0 | 0 | 109.9 | V1619 I1620 L1628 N1651 | V1619-S1623 PolarHBondContact O-N 3.5Å; V1619-S1623 PolarHBondContact O-OG 3.03Å; I1620-S1623 VanDerWaalsContact O-CB 3.26Å; I1620-S1623 WeakPolarHBondContact O-CB 3.4Å; I1620-S1623 PolarHBondContact O-N 2.73Å; S1623-L1628 WeakPolarHBondContact O-CD2 3.19Å; S1623-N1651 PolarHBondContact O-ND2 3Å | ||
| 1624 | K | 57.3 | Low | 51.6 | Low | 114 Ų | 114 | 74.7 Ų | 74.7 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | trans | -127.8 | 156.4 | 176.2 | -68.7 | -169.1 | 172.6 | -172 | 0 | 110.9 | E1650 | K1624-E1650 IonicContact NZ-OE2 3.08Å; K1624-E1650 PolarHBondContact NZ-OE2 3.32Å | ||
| 1625 | G | 73.8 | Confident | 53.3 | Low | 27 Ų | 27 | 70.2 Ų | 70.2 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -148.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1627 L1628 R1629 | G1625-A1627 VanDerWaalsContact C-N 3.3Å; G1625-A1627 PolarHBondContact O-N 2.85Å; G1625-L1628 WeakPolarHBondContact O-CB 3.2Å; G1625-L1628 PolarHBondContact O-N 2.71Å; G1625-L1628 VanDerWaalsContact O-N 3.13Å; G1625-R1629 PolarHBondContact O-N 3.35Å |
| 1626 | D | 69.5 | Low | 55.5 | Low | 114 Ų | 114 | 64.9 Ų | 64.9 | 61% | 0.61 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.2 | -21.1 | -168.1 | -58.5 | -49.1 | 0 | 0 | 0 | 114.6 | L1628 R1629 S1630 | D1626-L1628 VanDerWaalsContact C-N 3.28Å; D1626-L1628 PolarHBondContact O-N 3.02Å; D1626-R1629 PolarHBondContact O-N 3.49Å; D1626-R1629 WeakPolarHBondContact OD1-CD 3.5Å; D1626-R1629 IonicContact OD1-CZ 2.7Å; D1626-R1629 IonicContact OD1-NE 3.09Å; D1626-R1629 IonicContact OD1-NH1 2.65Å; D1626-R1629 PolarHBondContact OD1-NH1 3.29Å; D1626-S1630 PolarHBondContact O-N 3.47Å |
| 1627 | A | 56.8 | Low | 57.4 | Low | 68 Ų | 68 | 62.7 Ų | 62.7 | 56% | 0.562 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1625 A1631 | G1625-A1627 VanDerWaalsContact C-N 3.3Å; G1625-A1627 PolarHBondContact O-N 2.85Å; A1627-A1631 WeakPolarHBondContact O-CB 3.22Å; A1627-A1631 PolarHBondContact O-N 3.05Å; A1627-A1631 VanDerWaalsContact O-N 3.12Å |
| 1628 | L | 64 | Low | 58.7 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 172.9 | 174.9 | 58.6 | 0 | 0 | 0 | 111.4 | I1620 S1623 G1625 D1626 S1630 A1631 L1632 N1651 I1654 I1655 | I1620-L1628 HydrophobicContact CG2-CD1 3.34Å; I1620-L1628 WeakPolarHBondContact O-CD1 3.31Å; S1623-L1628 WeakPolarHBondContact O-CD2 3.19Å; G1625-L1628 WeakPolarHBondContact O-CB 3.2Å; G1625-L1628 PolarHBondContact O-N 2.71Å; G1625-L1628 VanDerWaalsContact O-N 3.13Å; D1626-L1628 VanDerWaalsContact C-N 3.28Å; D1626-L1628 PolarHBondContact O-N 3.02Å; L1628-S1630 VanDerWaalsContact C-N 3.31Å; L1628-S1630 PolarHBondContact O-N 2.98Å; L1628-A1631 PolarHBondContact O-N 3.48Å; L1628-L1632 HydrophobicContact CD1-CD1 3.49Å; L1628-L1632 VanDerWaalsContact CD1-CD1 3.49Å; L1628-L1632 HydrophobicContact CD1-CG 3.8Å; L1628-L1632 HydrophobicContact CG-CD1 3.78Å; L1628-L1632 WeakPolarHBondContact O-CB 3.01Å; L1628-L1632 PolarHBondContact O-N 2.92Å; L1628-N1651 HydrophobicContact CD2-CB 3.57Å; L1628-I1654 HydrophobicContact CB-CG2 4.18Å; L1628-I1654 HydrophobicContact CD2-CB 3.84Å; L1628-I1654 HydrophobicContact CD2-CD1 4.32Å; L1628-I1654 HydrophobicContact CD2-CG2 3.7Å; L1628-I1654 HydrophobicContact CG-CB 4.46Å; L1628-I1654 HydrophobicContact CG-CG2 3.78Å; L1628-I1655 HydrophobicContact CD2-CG1 4.46Å |
| 1629 | R | 74.8 | Confident | 60.1 | Low | 68 Ų | 68 | 62.8 Ų | 62.8 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 177.5 | -69.2 | -170.4 | 177.4 | 98.8 | 2.6 | 112.2 | G1625 D1626 R1633 I1654 E1657 V1658 | G1625-R1629 PolarHBondContact O-N 3.35Å; D1626-R1629 PolarHBondContact O-N 3.49Å; D1626-R1629 WeakPolarHBondContact OD1-CD 3.5Å; D1626-R1629 IonicContact OD1-CZ 2.7Å; D1626-R1629 IonicContact OD1-NE 3.09Å; D1626-R1629 IonicContact OD1-NH1 2.65Å; D1626-R1629 PolarHBondContact OD1-NH1 3.29Å; R1629-R1633 WeakPolarHBondContact O-CG 3.19Å; R1629-R1633 PolarHBondContact O-N 2.82Å; R1629-I1654 HydrophobicContact CG-CG2 3.47Å; R1629-I1654 VanDerWaalsContact CG-CG2 3.47Å; R1629-E1657 IonicContact CZ-OE2 3.48Å; R1629-E1657 VanDerWaalsContact CZ-OE2 3.28Å; R1629-E1657 IonicContact NE-OE2 2.76Å; R1629-E1657 PolarHBondContact NE-OE2 3.43Å; R1629-E1657 IonicContact NH2-OE2 2.69Å; R1629-E1657 PolarHBondContact NH2-OE2 3.36Å; R1629-V1658 HydrophobicContact CB-CG2 4.13Å; R1629-V1658 HydrophobicContact CG-CG2 4.09Å |
| 1630 | S | 66.4 | Low | 60.8 | Low | 68 Ų | 68 | 65.9 Ų | 65.9 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.2 | -50.9 | 178.5 | -160.2 | 0 | 0 | 0 | 0 | 111.6 | D1626 L1628 L1632 R1633 E1634 | D1626-S1630 PolarHBondContact O-N 3.47Å; L1628-S1630 VanDerWaalsContact C-N 3.31Å; L1628-S1630 PolarHBondContact O-N 2.98Å; S1630-L1632 VanDerWaalsContact C-N 3.33Å; S1630-L1632 PolarHBondContact O-N 3.48Å; S1630-R1633 PolarHBondContact O-N 2.83Å; S1630-R1633 VanDerWaalsContact O-N 3.15Å; S1630-E1634 PolarHBondContact O-N 3.08Å |
| 1631 | A | 57.6 | Low | 62.4 | Low | 29 Ų | 29 | 67.6 Ų | 67.6 | 24% | 0.24 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.7 | -39 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A1627 L1628 A1635 | A1627-A1631 WeakPolarHBondContact O-CB 3.22Å; A1627-A1631 PolarHBondContact O-N 3.05Å; A1627-A1631 VanDerWaalsContact O-N 3.12Å; L1628-A1631 PolarHBondContact O-N 3.48Å; A1631-A1635 WeakPolarHBondContact O-CB 3.46Å; A1631-A1635 PolarHBondContact O-N 3.41Å |
| 1632 | L | 68.1 | Low | 63.7 | Low | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.1 | -38.1 | 175.6 | -78.5 | 165.3 | 0 | 0 | 0 | 113.1 | I1620 L1628 S1630 A1635 L1636 I1643 I1655 V1658 | I1620-L1632 HydrophobicContact CG2-CD2 4.3Å; I1620-L1632 HydrophobicContact CG2-CG 4.18Å; L1628-L1632 HydrophobicContact CD1-CD1 3.49Å; L1628-L1632 VanDerWaalsContact CD1-CD1 3.49Å; L1628-L1632 HydrophobicContact CD1-CG 3.8Å; L1628-L1632 HydrophobicContact CG-CD1 3.78Å; L1628-L1632 WeakPolarHBondContact O-CB 3.01Å; L1628-L1632 PolarHBondContact O-N 2.92Å; S1630-L1632 VanDerWaalsContact C-N 3.33Å; S1630-L1632 PolarHBondContact O-N 3.48Å; L1632-A1635 PolarHBondContact O-N 3.08Å; L1632-L1636 WeakPolarHBondContact O-CB 3.32Å; L1632-L1636 VanDerWaalsContact O-CG 3.26Å; L1632-L1636 WeakPolarHBondContact O-CG 3.45Å; L1632-L1636 PolarHBondContact O-N 3.06Å; L1632-I1643 HydrophobicContact CD2-CD1 4.05Å; L1632-I1643 HydrophobicContact CD2-CG1 4.33Å; L1632-I1643 HydrophobicContact CD2-CG2 4.45Å; L1632-I1655 HydrophobicContact CD1-CB 4.27Å; L1632-I1655 HydrophobicContact CD1-CG1 3.74Å; L1632-V1658 HydrophobicContact CB-CB 4.16Å; L1632-V1658 HydrophobicContact CB-CG1 3.68Å; L1632-V1658 HydrophobicContact CB-CG2 4.23Å; L1632-V1658 HydrophobicContact CD1-CB 4.33Å; L1632-V1658 HydrophobicContact CD1-CG2 4.25Å |
| 1633 | R | 74.5 | Confident | 65.1 | Low | 116 Ų | 116 | 67 Ų | 67 | 44% | 0.438 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -51.8 | 176.6 | -79.1 | 173.6 | 166.3 | -116.3 | 5 | 110.9 | R1629 S1630 A1635 L1636 E1637 V1658 | R1629-R1633 WeakPolarHBondContact O-CG 3.19Å; R1629-R1633 PolarHBondContact O-N 2.82Å; S1630-R1633 PolarHBondContact O-N 2.83Å; S1630-R1633 VanDerWaalsContact O-N 3.15Å; R1633-A1635 VanDerWaalsContact C-N 3.33Å; R1633-A1635 PolarHBondContact O-N 3.25Å; R1633-L1636 PolarHBondContact O-N 2.99Å; R1633-E1637 WeakPolarHBondContact O-CG 3.32Å; R1633-E1637 PolarHBondContact O-N 2.78Å; R1633-V1658 HydrophobicContact CG-CG1 3.72Å |
| 1634 | E | 65 | Low | 66.3 | Low | 123 Ų | 123 | 66.1 Ų | 66.1 | 58% | 0.575 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.8 | -42.9 | 176.8 | -69.7 | -175.5 | 120.8 | 0 | 0 | 111.6 | S1630 L1636 E1637 V1638 | S1630-E1634 PolarHBondContact O-N 3.08Å; E1634-L1636 PolarHBondContact O-N 2.97Å; E1634-E1637 PolarHBondContact O-N 3.44Å; E1634-V1638 WeakPolarHBondContact O-CG2 3.49Å; E1634-V1638 PolarHBondContact O-N 2.88Å |
| 1635 | A | 60.1 | Low | 67.3 | Low | 18 Ų | 18 | 60.7 Ų | 60.7 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1631 L1632 R1633 G1639 Y1640 | A1631-A1635 WeakPolarHBondContact O-CB 3.46Å; A1631-A1635 PolarHBondContact O-N 3.41Å; L1632-A1635 PolarHBondContact O-N 3.08Å; R1633-A1635 VanDerWaalsContact C-N 3.33Å; R1633-A1635 PolarHBondContact O-N 3.25Å; A1635-G1639 PolarHBondContact O-N 3.22Å; A1635-Y1640 HydrophobicContact CB-CD2 4.13Å; A1635-Y1640 HydrophobicContact CB-CG 4.37Å; A1635-Y1640 WeakPolarHBondContact O-CB 3.15Å; A1635-Y1640 PolarHBondContact O-N 3.44Å |
| 1636 | L | 69.2 | Low | 67.1 | Low | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 176.5 | -72.8 | 166.2 | 0 | 0 | 0 | 112.1 | L1632 R1633 E1634 G1639 R1641 I1643 V1658 L1659 W1662 V1673 | L1632-L1636 WeakPolarHBondContact O-CB 3.32Å; L1632-L1636 VanDerWaalsContact O-CG 3.26Å; L1632-L1636 WeakPolarHBondContact O-CG 3.45Å; L1632-L1636 PolarHBondContact O-N 3.06Å; R1633-L1636 PolarHBondContact O-N 2.99Å; E1634-L1636 PolarHBondContact O-N 2.97Å; L1636-G1639 PolarHBondContact O-N 2.96Å; L1636-R1641 PolarHBondContact O-NH1 3.48Å; L1636-R1641 PolarHBondContact O-NH2 3.2Å; L1636-R1641 VanDerWaalsContact O-NH2 3.09Å; L1636-I1643 HydrophobicContact CD2-CD1 4.43Å; L1636-V1658 HydrophobicContact CD1-CG1 3.88Å; L1636-L1659 HydrophobicContact CD1-CD2 3.95Å; L1636-L1659 HydrophobicContact CD2-CD2 4.09Å; L1636-W1662 HydrophobicContact CB-CD2 4.06Å; L1636-W1662 HydrophobicContact CB-CG 4.08Å; L1636-W1662 HydrophobicContact CD1-CB 3.94Å; L1636-W1662 HydrophobicContact CD1-CD2 4.16Å; L1636-W1662 HydrophobicContact CD1-CG 3.89Å; L1636-W1662 HydrophobicContact CD2-CD2 4.15Å; L1636-W1662 HydrophobicContact CD2-CE3 4.06Å; L1636-W1662 HydrophobicContact CD2-CZ3 4.3Å; L1636-W1662 HydrophobicContact CG-CD2 4.36Å; L1636-W1662 HydrophobicContact CG-CG 4.45Å; L1636-V1673 HydrophobicContact CD2-CG2 4.31Å |
| 1637 | E | 69.5 | Low | 67.1 | Low | 138 Ų | 138 | 58.1 Ų | 58.1 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.2 | -43.8 | 175.9 | -74.1 | 175.8 | -165.2 | 0 | 0 | 112.4 | R1633 E1634 G1639 | R1633-E1637 WeakPolarHBondContact O-CG 3.32Å; R1633-E1637 PolarHBondContact O-N 2.78Å; E1634-E1637 PolarHBondContact O-N 3.44Å; E1637-G1639 PolarHBondContact O-N 3.06Å |
| 1638 | V | 59.4 | Low | 67.5 | Low | 112 Ų | 112 | 58.1 Ų | 58.1 | 68% | 0.679 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 8.4 | 177.7 | -52.4 | 0 | 0 | 0 | 0 | 114.6 | E1634 Y1640 | E1634-V1638 WeakPolarHBondContact O-CG2 3.49Å; E1634-V1638 PolarHBondContact O-N 2.88Å; V1638-Y1640 HydrophobicContact CG2-CD2 3.69Å; V1638-Y1640 HydrophobicContact CG2-CE2 3.72Å |
| 1639 | G | 62.4 | Low | 67.6 | Low | 41 Ų | 41 | 59.9 Ų | 59.9 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | 11.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | A1635 L1636 E1637 R1641 | A1635-G1639 PolarHBondContact O-N 3.22Å; L1636-G1639 PolarHBondContact O-N 2.96Å; E1637-G1639 PolarHBondContact O-N 3.06Å; G1639-R1641 PolarHBondContact O-N 3.29Å |
| 1640 | Y | 52.7 | Low | 67.4 | Low | 150 Ų | 150 | 63.3 Ų | 63.3 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | trans | -69.1 | 128.2 | 169.5 | -71 | -92.1 | 0 | 0 | 0 | 110.3 | A1635 V1638 | A1635-Y1640 HydrophobicContact CB-CD2 4.13Å; A1635-Y1640 HydrophobicContact CB-CG 4.37Å; A1635-Y1640 WeakPolarHBondContact O-CB 3.15Å; A1635-Y1640 PolarHBondContact O-N 3.44Å; V1638-Y1640 HydrophobicContact CG2-CD2 3.69Å; V1638-Y1640 HydrophobicContact CG2-CE2 3.72Å | ||
| 1641 | R | 73.8 | Confident | 67.9 | Low | 78 Ų | 78 | 60 Ų | 60 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | trans | -125.2 | 3.3 | -175.7 | -63.6 | -64.2 | 170.7 | -95.4 | 3 | 114 | L1636 G1639 W1662 D1672 V1673 F1674 | L1636-R1641 PolarHBondContact O-NH1 3.48Å; L1636-R1641 PolarHBondContact O-NH2 3.2Å; L1636-R1641 VanDerWaalsContact O-NH2 3.09Å; G1639-R1641 PolarHBondContact O-N 3.29Å; R1641-W1662 VanDerWaalsContact CZ-CH2 3.49Å; R1641-W1662 VanDerWaalsContact NH2-CZ2 3.3Å; R1641-D1672 WeakPolarHBondContact CB-O 3.48Å; R1641-D1672 WeakPolarHBondContact CD-O 3.11Å; R1641-V1673 CarbonylContact O-C 3.53Å; R1641-V1673 WeakPolarHBondContact O-CA 3.49Å; R1641-F1674 PolarHBondContact O-N 2.69Å | ||
| 1642 | L | 71.7 | Confident | 69.1 | Low | 84 Ų | 84 | 58.8 Ų | 58.8 | 44% | 0.44 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.4 | 172 | 179.5 | 65.2 | 0 | 0 | 0 | 108.7 | F1674 T1676 | L1642-F1674 CarbonylContact C-O 3.59Å; L1642-F1674 WeakPolarHBondContact CA-O 3.31Å; L1642-F1674 HydrophobicContact CD1-CB 3.73Å; L1642-T1676 HydrophobicContact CD1-CG2 4Å |
| 1643 | I | 72.7 | Confident | 69.9 | Low | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 116.4 | 175.1 | -63.1 | 169.4 | 0 | 0 | 0 | 107.5 | L1632 L1636 I1655 L1659 V1673 F1674 V1675 T1676 | L1632-I1643 HydrophobicContact CD2-CD1 4.05Å; L1632-I1643 HydrophobicContact CD2-CG1 4.33Å; L1632-I1643 HydrophobicContact CD2-CG2 4.45Å; L1636-I1643 HydrophobicContact CD2-CD1 4.43Å; I1643-I1655 HydrophobicContact CG2-CG2 3.94Å; I1643-L1659 HydrophobicContact CD1-CD1 4.06Å; I1643-L1659 HydrophobicContact CD1-CD2 3.77Å; I1643-L1659 HydrophobicContact CD1-CG 4.13Å; I1643-V1673 HydrophobicContact CD1-CG1 4.13Å; I1643-F1674 PolarHBondContact N-O 2.96Å; I1643-V1675 CarbonylContact O-C 3.46Å; I1643-V1675 WeakPolarHBondContact O-CA 3.46Å; I1643-T1676 PolarHBondContact O-N 2.85Å; I1643-T1676 PolarHBondContact O-OG1 3.24Å |
| 1644 | D | 73.6 | Confident | 70.3 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129.3 | 175.2 | -174.7 | 53.2 | 0 | 0 | 0 | 110 | V1617 T1676 K1678 | V1617-D1644 HydrophobicContact CG1-CB 4.16Å; D1644-T1676 WeakPolarHBondContact CA-OG1 3.46Å; D1644-T1676 PolarHBondContact OD1-OG1 3.32Å; D1644-K1678 VanDerWaalsContact CG-NZ 3.27Å; D1644-K1678 WeakPolarHBondContact OD1-CE 3.21Å; D1644-K1678 IonicContact OD1-NZ 2.85Å; D1644-K1678 PolarHBondContact OD1-NZ 3.27Å; D1644-K1678 VanDerWaalsContact OD1-NZ 3.09Å; D1644-K1678 IonicContact OD2-NZ 3.2Å; D1644-K1678 PolarHBondContact OD2-NZ 3.2Å |
| 1645 | T | 77.8 | Confident | 71.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -143.4 | 176.7 | -175.9 | -168.5 | 0 | 0 | 0 | 0 | 110.9 | E1652 I1655 V1675 T1676 T1677 K1678 L1700 | T1645-E1652 HydrophobicContact CG2-CG 4.06Å; T1645-E1652 WeakPolarHBondContact CG2-OE1 3.32Å; T1645-E1652 WeakPolarHBondContact OG1-CG 3.46Å; T1645-I1655 WeakPolarHBondContact OG1-CD1 3.46Å; T1645-V1675 HydrophobicContact CG2-CG1 4.44Å; T1645-T1676 WeakPolarHBondContact CG2-O 3.21Å; T1645-T1676 PolarHBondContact N-O 3.46Å; T1645-T1677 WeakPolarHBondContact O-CA 3.37Å; T1645-K1678 PolarHBondContact O-N 2.59Å; T1645-L1700 HydrophobicContact CG2-CD1 4.17Å; T1645-L1700 HydrophobicContact CG2-CD2 4.36Å | ||
| 1646 | A | 70.3 | Confident | 72.4 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | trans | -155.2 | 144.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | N1648 Y1649 K1678 | A1646-N1648 PolarHBondContact O-N 3.21Å; A1646-N1648 VanDerWaalsContact O-N 3.17Å; A1646-Y1649 HydrophobicContact CB-CD1 3.99Å; A1646-Y1649 HydrophobicContact CB-CD2 3.71Å; A1646-Y1649 HydrophobicContact CB-CE1 3.88Å; A1646-Y1649 HydrophobicContact CB-CE2 3.6Å; A1646-Y1649 HydrophobicContact CB-CG 3.9Å; A1646-Y1649 VanDerWaalsContact O-CB 3.32Å; A1646-Y1649 WeakPolarHBondContact O-CB 3.49Å; A1646-Y1649 PolarHBondContact O-N 2.83Å; A1646-K1678 HydrophobicContact CB-CB 3.84Å | ||
| 1647 | Y | 68 | Low | 73.2 | Confident | 81 Ų | 81 | 53.1 Ų | 53.1 | 32% | 0.318 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -48.9 | -41.8 | 170.6 | 178.4 | -91.3 | 0 | 0 | 0 | 112.8 | Y1649 E1650 E1652 P1680 E1695 | Y1647-Y1649 PolarHBondContact O-N 3.32Å; Y1647-E1650 PolarHBondContact O-N 3.12Å; Y1647-E1652 WeakPolarHBondContact CA-OE2 3.16Å; Y1647-E1652 PolarHBondContact N-OE1 3.45Å; Y1647-P1680 HydrophobicContact CD1-CG 3.75Å; Y1647-P1680 HydrophobicContact CG-CG 4.1Å; Y1647-E1695 HydrophobicContact CD2-CB 4.25Å; Y1647-E1695 HydrophobicContact CE2-CB 3.74Å; Y1647-E1695 VanDerWaalsContact CE2-OE2 3.3Å; Y1647-E1695 WeakPolarHBondContact CE2-OE2 3.26Å; Y1647-E1695 VanDerWaalsContact CZ-OE2 3.23Å; Y1647-E1695 PolarHBondContact OH-OE2 2.79Å |
| 1648 | N | 66.2 | Low | 73.9 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -64.9 | -5.7 | 177.3 | -77.9 | 14.9 | 0 | 0 | 0 | 114.9 | A1646 | A1646-N1648 PolarHBondContact O-N 3.21Å; A1646-N1648 VanDerWaalsContact O-N 3.17Å |
| 1649 | Y | 66.3 | Low | 75.2 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -87.8 | -9.7 | 175.6 | -59.6 | -20.2 | 0 | 0 | 0 | 113.2 | F1618 S1621 A1646 Y1647 N1651 | F1618-Y1649 HydrophobicContact CE2-CE1 4.29Å; S1621-Y1649 WeakPolarHBondContact O-CB 3.4Å; S1621-Y1649 WeakPolarHBondContact OG-CE2 3.45Å; A1646-Y1649 HydrophobicContact CB-CD1 3.99Å; A1646-Y1649 HydrophobicContact CB-CD2 3.71Å; A1646-Y1649 HydrophobicContact CB-CE1 3.88Å; A1646-Y1649 HydrophobicContact CB-CE2 3.6Å; A1646-Y1649 HydrophobicContact CB-CG 3.9Å; A1646-Y1649 VanDerWaalsContact O-CB 3.32Å; A1646-Y1649 WeakPolarHBondContact O-CB 3.49Å; A1646-Y1649 PolarHBondContact O-N 2.83Å; Y1647-Y1649 PolarHBondContact O-N 3.32Å; Y1649-N1651 VanDerWaalsContact C-N 3.28Å; Y1649-N1651 VanDerWaalsContact CB-OD1 3.31Å; Y1649-N1651 WeakPolarHBondContact CB-OD1 3.3Å; Y1649-N1651 PolarHBondContact O-N 3.47Å |
| 1650 | E | 69.9 | Low | 76.3 | Confident | 140 Ų | 140 | 43.7 Ų | 43.7 | 65% | 0.654 | 20% | 0.2 | S | C | * | . | S | Bend | trans | 53.9 | 40.7 | 174.3 | -56.1 | 178.9 | 149.3 | 0 | 0 | 113.6 | K1624 Y1647 | K1624-E1650 IonicContact NZ-OE2 3.08Å; K1624-E1650 PolarHBondContact NZ-OE2 3.32Å; Y1647-E1650 PolarHBondContact O-N 3.12Å |
| 1651 | N | 76.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -149.4 | 9.3 | -177.9 | 62 | 4.2 | 0 | 0 | 0 | 114.7 | S1621 S1623 L1628 Y1649 D1653 I1654 I1655 | S1621-N1651 VanDerWaalsContact C-ND2 3.32Å; S1621-N1651 PolarHBondContact O-ND2 3.34Å; S1623-N1651 PolarHBondContact O-ND2 3Å; L1628-N1651 HydrophobicContact CD2-CB 3.57Å; Y1649-N1651 VanDerWaalsContact C-N 3.28Å; Y1649-N1651 VanDerWaalsContact CB-OD1 3.31Å; Y1649-N1651 WeakPolarHBondContact CB-OD1 3.3Å; Y1649-N1651 PolarHBondContact O-N 3.47Å; N1651-D1653 VanDerWaalsContact C-OD1 3.3Å; N1651-D1653 WeakPolarHBondContact CA-OD1 3.34Å; N1651-D1653 PolarHBondContact O-N 3.48Å; N1651-I1654 PolarHBondContact O-N 2.78Å; N1651-I1655 WeakPolarHBondContact O-CG1 3.42Å; N1651-I1655 PolarHBondContact O-N 3.35Å | ||
| 1652 | E | 84.1 | Confident | 78.1 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -30.5 | 174.5 | -78.7 | -172.7 | 146.2 | 0 | 0 | 112.5 | T1645 Y1647 I1655 G1656 T1677 S1696 N1699 L1700 | T1645-E1652 HydrophobicContact CG2-CG 4.06Å; T1645-E1652 WeakPolarHBondContact CG2-OE1 3.32Å; T1645-E1652 WeakPolarHBondContact OG1-CG 3.46Å; Y1647-E1652 WeakPolarHBondContact CA-OE2 3.16Å; Y1647-E1652 PolarHBondContact N-OE1 3.45Å; E1652-I1655 PolarHBondContact O-N 2.83Å; E1652-G1656 PolarHBondContact O-N 2.98Å; E1652-T1677 WeakPolarHBondContact OE1-CB 3.49Å; E1652-T1677 PolarHBondContact OE1-OG1 3.28Å; E1652-S1696 WeakPolarHBondContact OE2-CA 3.34Å; E1652-S1696 WeakPolarHBondContact OE2-CB 3.21Å; E1652-N1699 HydrophobicContact CB-CB 3.51Å; E1652-N1699 PolarHBondContact OE2-ND2 2.76Å; E1652-L1700 HydrophobicContact CB-CD2 3.95Å; E1652-L1700 HydrophobicContact CB-CG 3.9Å; E1652-L1700 HydrophobicContact CG-CD1 4.42Å; E1652-L1700 HydrophobicContact CG-CD2 4.05Å; E1652-L1700 HydrophobicContact CG-CG 4.05Å; E1652-L1700 WeakPolarHBondContact O-CA 3.41Å; E1652-L1700 WeakPolarHBondContact O-CD2 3.44Å |
| 1653 | D | 84.6 | Confident | 78.7 | Confident | 71 Ų | 71 | 35.1 Ų | 35.1 | 38% | 0.38 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 173.1 | 66.8 | -43.9 | 0 | 0 | 0 | 113 | N1651 E1657 N1699 | N1651-D1653 VanDerWaalsContact C-OD1 3.3Å; N1651-D1653 WeakPolarHBondContact CA-OD1 3.34Å; N1651-D1653 PolarHBondContact O-N 3.48Å; D1653-E1657 WeakPolarHBondContact O-CG 3.44Å; D1653-E1657 PolarHBondContact O-N 3.38Å; D1653-N1699 WeakPolarHBondContact CA-O 3.45Å |
| 1654 | I | 82.1 | Confident | 79.1 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.4 | -42.6 | 177.7 | -60.8 | 175.6 | 0 | 0 | 0 | 110.3 | L1628 R1629 N1651 G1656 E1657 V1658 | L1628-I1654 HydrophobicContact CB-CG2 4.18Å; L1628-I1654 HydrophobicContact CD2-CB 3.84Å; L1628-I1654 HydrophobicContact CD2-CD1 4.32Å; L1628-I1654 HydrophobicContact CD2-CG2 3.7Å; L1628-I1654 HydrophobicContact CG-CB 4.46Å; L1628-I1654 HydrophobicContact CG-CG2 3.78Å; R1629-I1654 HydrophobicContact CG-CG2 3.47Å; R1629-I1654 VanDerWaalsContact CG-CG2 3.47Å; N1651-I1654 PolarHBondContact O-N 2.78Å; I1654-G1656 VanDerWaalsContact C-N 3.27Å; I1654-G1656 PolarHBondContact O-N 3.44Å; I1654-E1657 PolarHBondContact O-N 2.69Å; I1654-V1658 WeakPolarHBondContact O-CG2 3.42Å; I1654-V1658 PolarHBondContact O-N 2.8Å |
| 1655 | I | 84.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 172.9 | -67.7 | 160.5 | 0 | 0 | 0 | 109.9 | L1628 L1632 I1643 T1645 N1651 E1652 V1658 L1659 L1700 | L1628-I1655 HydrophobicContact CD2-CG1 4.46Å; L1632-I1655 HydrophobicContact CD1-CB 4.27Å; L1632-I1655 HydrophobicContact CD1-CG1 3.74Å; I1643-I1655 HydrophobicContact CG2-CG2 3.94Å; T1645-I1655 WeakPolarHBondContact OG1-CD1 3.46Å; N1651-I1655 WeakPolarHBondContact O-CG1 3.42Å; N1651-I1655 PolarHBondContact O-N 3.35Å; E1652-I1655 PolarHBondContact O-N 2.83Å; I1655-V1658 PolarHBondContact O-N 3.34Å; I1655-L1659 HydrophobicContact CG2-CD1 3.88Å; I1655-L1659 HydrophobicContact CG2-CG 4.5Å; I1655-L1659 WeakPolarHBondContact O-CB 3.4Å; I1655-L1659 WeakPolarHBondContact O-CG 3.45Å; I1655-L1659 PolarHBondContact O-N 3.26Å; I1655-L1700 HydrophobicContact CB-CD2 3.78Å; I1655-L1700 HydrophobicContact CG2-CD2 3.47Å; I1655-L1700 VanDerWaalsContact CG2-CD2 3.47Å |
| 1656 | G | 86.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | E1652 I1654 Q1660 L1700 | E1652-G1656 PolarHBondContact O-N 2.98Å; I1654-G1656 VanDerWaalsContact C-N 3.27Å; I1654-G1656 PolarHBondContact O-N 3.44Å; G1656-Q1660 VanDerWaalsContact O-CB 3.27Å; G1656-Q1660 WeakPolarHBondContact O-CB 3.36Å; G1656-Q1660 VanDerWaalsContact O-CG 3.25Å; G1656-Q1660 WeakPolarHBondContact O-CG 3.37Å; G1656-Q1660 PolarHBondContact O-N 2.65Å; G1656-L1700 WeakPolarHBondContact CA-O 3.34Å |
| 1657 | E | 85.3 | Confident | 79.1 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 172.4 | -78.8 | -164.2 | 148.9 | 0 | 0 | 112.6 | R1629 D1653 I1654 Q1660 Q1661 | R1629-E1657 IonicContact CZ-OE2 3.48Å; R1629-E1657 VanDerWaalsContact CZ-OE2 3.28Å; R1629-E1657 IonicContact NE-OE2 2.76Å; R1629-E1657 PolarHBondContact NE-OE2 3.43Å; R1629-E1657 IonicContact NH2-OE2 2.69Å; R1629-E1657 PolarHBondContact NH2-OE2 3.36Å; D1653-E1657 WeakPolarHBondContact O-CG 3.44Å; D1653-E1657 PolarHBondContact O-N 3.38Å; I1654-E1657 PolarHBondContact O-N 2.69Å; E1657-Q1660 PolarHBondContact O-N 3.32Å; E1657-Q1661 WeakPolarHBondContact O-CB 3.38Å; E1657-Q1661 VanDerWaalsContact O-CD 3.32Å; E1657-Q1661 WeakPolarHBondContact O-CG 3.34Å; E1657-Q1661 PolarHBondContact O-N 2.76Å |
| 1658 | V | 84.4 | Confident | 79.1 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | -178.2 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | R1629 L1632 R1633 L1636 I1654 I1655 Q1661 W1662 | R1629-V1658 HydrophobicContact CB-CG2 4.13Å; R1629-V1658 HydrophobicContact CG-CG2 4.09Å; L1632-V1658 HydrophobicContact CB-CB 4.16Å; L1632-V1658 HydrophobicContact CB-CG1 3.68Å; L1632-V1658 HydrophobicContact CB-CG2 4.23Å; L1632-V1658 HydrophobicContact CD1-CB 4.33Å; L1632-V1658 HydrophobicContact CD1-CG2 4.25Å; R1633-V1658 HydrophobicContact CG-CG1 3.72Å; L1636-V1658 HydrophobicContact CD1-CG1 3.88Å; I1654-V1658 WeakPolarHBondContact O-CG2 3.42Å; I1654-V1658 PolarHBondContact O-N 2.8Å; I1655-V1658 PolarHBondContact O-N 3.34Å; V1658-Q1661 PolarHBondContact O-N 2.93Å; V1658-W1662 VanDerWaalsContact O-CB 3.31Å; V1658-W1662 WeakPolarHBondContact O-CB 3.33Å; V1658-W1662 PolarHBondContact O-N 3.09Å |
| 1659 | L | 86 | Confident | 79.7 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 175.9 | -75.7 | 173.3 | 0 | 0 | 0 | 112.2 | L1636 I1643 I1655 Q1661 W1662 F1663 V1673 V1675 L1702 | L1636-L1659 HydrophobicContact CD1-CD2 3.95Å; L1636-L1659 HydrophobicContact CD2-CD2 4.09Å; I1643-L1659 HydrophobicContact CD1-CD1 4.06Å; I1643-L1659 HydrophobicContact CD1-CD2 3.77Å; I1643-L1659 HydrophobicContact CD1-CG 4.13Å; I1655-L1659 HydrophobicContact CG2-CD1 3.88Å; I1655-L1659 HydrophobicContact CG2-CG 4.5Å; I1655-L1659 WeakPolarHBondContact O-CB 3.4Å; I1655-L1659 WeakPolarHBondContact O-CG 3.45Å; I1655-L1659 PolarHBondContact O-N 3.26Å; L1659-Q1661 VanDerWaalsContact C-N 3.32Å; L1659-Q1661 PolarHBondContact O-N 3.1Å; L1659-W1662 PolarHBondContact O-N 3.26Å; L1659-F1663 HydrophobicContact CB-CD2 4.46Å; L1659-F1663 HydrophobicContact CB-CE2 3.83Å; L1659-F1663 HydrophobicContact CB-CZ 4.08Å; L1659-F1663 HydrophobicContact CD2-CE1 4.32Å; L1659-F1663 HydrophobicContact CD2-CE2 4.48Å; L1659-F1663 HydrophobicContact CD2-CZ 3.85Å; L1659-F1663 HydrophobicContact CG-CZ 4.45Å; L1659-F1663 WeakPolarHBondContact O-CD2 3.4Å; L1659-F1663 WeakPolarHBondContact O-CG 3.25Å; L1659-F1663 PolarHBondContact O-N 3.1Å; L1659-V1673 HydrophobicContact CD2-CG1 4.05Å; L1659-V1673 HydrophobicContact CD2-CG2 4.36Å; L1659-V1675 HydrophobicContact CD1-CG2 3.75Å; L1659-L1702 HydrophobicContact CD1-CD1 4.25Å; L1659-L1702 HydrophobicContact CD1-CD2 4.38Å |
| 1660 | Q | 85.6 | Confident | 80.3 | Confident | 92 Ų | 92 | 46.3 Ų | 46.3 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 173.9 | -78.6 | -77.1 | -17.1 | 0 | 0 | 111.6 | G1656 E1657 A1664 K1701 | G1656-Q1660 VanDerWaalsContact O-CB 3.27Å; G1656-Q1660 WeakPolarHBondContact O-CB 3.36Å; G1656-Q1660 VanDerWaalsContact O-CG 3.25Å; G1656-Q1660 WeakPolarHBondContact O-CG 3.37Å; G1656-Q1660 PolarHBondContact O-N 2.65Å; E1657-Q1660 PolarHBondContact O-N 3.32Å; Q1660-A1664 WeakPolarHBondContact O-CB 3.45Å; Q1660-A1664 PolarHBondContact O-N 2.96Å; Q1660-K1701 HydrophobicContact CG-CB 4.02Å; Q1660-K1701 PolarHBondContact NE2-O 3.31Å |
| 1661 | Q | 84.2 | Confident | 80.6 | Confident | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 176.7 | -70.7 | 163.6 | 16.8 | 0 | 0 | 112.3 | E1657 V1658 L1659 S1665 | E1657-Q1661 WeakPolarHBondContact O-CB 3.38Å; E1657-Q1661 VanDerWaalsContact O-CD 3.32Å; E1657-Q1661 WeakPolarHBondContact O-CG 3.34Å; E1657-Q1661 PolarHBondContact O-N 2.76Å; V1658-Q1661 PolarHBondContact O-N 2.93Å; L1659-Q1661 VanDerWaalsContact C-N 3.32Å; L1659-Q1661 PolarHBondContact O-N 3.1Å; Q1661-S1665 PolarHBondContact O-N 3.44Å |
| 1662 | W | 81.6 | Confident | 80.5 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.1 | -44 | 178.1 | -170.6 | 72.1 | 0 | 0 | 0 | 112 | L1636 R1641 V1658 L1659 S1665 A1667 V1673 | L1636-W1662 HydrophobicContact CB-CD2 4.06Å; L1636-W1662 HydrophobicContact CB-CG 4.08Å; L1636-W1662 HydrophobicContact CD1-CB 3.94Å; L1636-W1662 HydrophobicContact CD1-CD2 4.16Å; L1636-W1662 HydrophobicContact CD1-CG 3.89Å; L1636-W1662 HydrophobicContact CD2-CD2 4.15Å; L1636-W1662 HydrophobicContact CD2-CE3 4.06Å; L1636-W1662 HydrophobicContact CD2-CZ3 4.3Å; L1636-W1662 HydrophobicContact CG-CD2 4.36Å; L1636-W1662 HydrophobicContact CG-CG 4.45Å; R1641-W1662 VanDerWaalsContact CZ-CH2 3.49Å; R1641-W1662 VanDerWaalsContact NH2-CZ2 3.3Å; V1658-W1662 VanDerWaalsContact O-CB 3.31Å; V1658-W1662 WeakPolarHBondContact O-CB 3.33Å; V1658-W1662 PolarHBondContact O-N 3.09Å; L1659-W1662 PolarHBondContact O-N 3.26Å; W1662-S1665 WeakPolarHBondContact O-CB 3.48Å; W1662-S1665 PolarHBondContact O-N 3.01Å; W1662-S1665 PolarHBondContact O-OG 3.13Å; W1662-A1667 HydrophobicContact CZ2-CB 4.39Å; W1662-A1667 WeakPolarHBondContact CZ2-O 3.4Å; W1662-V1673 HydrophobicContact CE3-CG2 4.24Å; W1662-V1673 HydrophobicContact CH2-CG2 4.38Å; W1662-V1673 HydrophobicContact CZ3-CG2 3.58Å |
| 1663 | F | 84.3 | Confident | 80.1 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 17% | 0.167 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 173.2 | -56.2 | -35.2 | 0 | 0 | 0 | 111.8 | L1659 S1665 G1666 K1669 R1670 V1673 L1702 | L1659-F1663 HydrophobicContact CB-CD2 4.46Å; L1659-F1663 HydrophobicContact CB-CE2 3.83Å; L1659-F1663 HydrophobicContact CB-CZ 4.08Å; L1659-F1663 HydrophobicContact CD2-CE1 4.32Å; L1659-F1663 HydrophobicContact CD2-CE2 4.48Å; L1659-F1663 HydrophobicContact CD2-CZ 3.85Å; L1659-F1663 HydrophobicContact CG-CZ 4.45Å; L1659-F1663 WeakPolarHBondContact O-CD2 3.4Å; L1659-F1663 WeakPolarHBondContact O-CG 3.25Å; L1659-F1663 PolarHBondContact O-N 3.1Å; F1663-S1665 PolarHBondContact O-N 2.85Å; F1663-G1666 PolarHBondContact O-N 3.27Å; F1663-K1669 VanDerWaalsContact CE1-O 3.25Å; F1663-K1669 WeakPolarHBondContact CE1-O 3.47Å; F1663-R1670 HydrophobicContact CE2-CB 4.19Å; F1663-R1670 HydrophobicContact CZ-CB 4.24Å; F1663-V1673 HydrophobicContact CE1-CG2 3.86Å; F1663-V1673 HydrophobicContact CZ-CB 4.45Å; F1663-V1673 HydrophobicContact CZ-CG2 4.24Å; F1663-L1702 HydrophobicContact CE2-CD2 3.97Å |
| 1664 | A | 79.2 | Confident | 79.6 | Confident | 87 Ų | 87 | 49.9 Ų | 49.9 | 72% | 0.719 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.8 | -24.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1660 G1666 | Q1660-A1664 WeakPolarHBondContact O-CB 3.45Å; Q1660-A1664 PolarHBondContact O-N 2.96Å; A1664-G1666 VanDerWaalsContact C-N 3.25Å; A1664-G1666 PolarHBondContact O-N 2.79Å |
| 1665 | S | 77.4 | Confident | 79.6 | Confident | 78 Ų | 78 | 49.2 Ų | 49.2 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -14.9 | 172.9 | 79.6 | 0 | 0 | 0 | 0 | 113.9 | Q1661 W1662 F1663 A1667 | Q1661-S1665 PolarHBondContact O-N 3.44Å; W1662-S1665 WeakPolarHBondContact O-CB 3.48Å; W1662-S1665 PolarHBondContact O-N 3.01Å; W1662-S1665 PolarHBondContact O-OG 3.13Å; F1663-S1665 PolarHBondContact O-N 2.85Å; S1665-A1667 PolarHBondContact O-N 3.19Å; S1665-A1667 VanDerWaalsContact OG-CB 3.3Å; S1665-A1667 WeakPolarHBondContact OG-CB 3.48Å; S1665-A1667 PolarHBondContact OG-N 3.35Å |
| 1666 | G | 75.6 | Confident | 79.5 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 66% | 0.66 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 1.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | F1663 A1664 G1668 | F1663-G1666 PolarHBondContact O-N 3.27Å; A1664-G1666 VanDerWaalsContact C-N 3.25Å; A1664-G1666 PolarHBondContact O-N 2.79Å; G1666-G1668 PolarHBondContact O-N 3.24Å |
| 1667 | A | 68.5 | Low | 79.5 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 51% | 0.512 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -66.9 | -14.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W1662 S1665 | W1662-A1667 HydrophobicContact CZ2-CB 4.39Å; W1662-A1667 WeakPolarHBondContact CZ2-O 3.4Å; S1665-A1667 PolarHBondContact O-N 3.19Å; S1665-A1667 VanDerWaalsContact OG-CB 3.3Å; S1665-A1667 WeakPolarHBondContact OG-CB 3.48Å; S1665-A1667 PolarHBondContact OG-N 3.35Å |
| 1668 | G | 69.8 | Low | 79.4 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 12% | 0.124 | 27% | 0.272 | C | S | . | . | trans | -179 | 179.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | G1666 | G1666-G1668 PolarHBondContact O-N 3.24Š| ||
| 1669 | K | 78 | Confident | 79.1 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | trans | -115.8 | 163.9 | -174 | -55.1 | -179.1 | -174 | -177.3 | 0 | 112.3 | F1663 E1671 D1672 | F1663-K1669 VanDerWaalsContact CE1-O 3.25Å; F1663-K1669 WeakPolarHBondContact CE1-O 3.47Å; K1669-E1671 HydrophobicContact CB-CG 3.73Å; K1669-E1671 HydrophobicContact CD-CG 3.72Å; K1669-E1671 WeakPolarHBondContact CD-OE1 3.35Å; K1669-E1671 WeakPolarHBondContact CE-OE1 3.48Å; K1669-E1671 HydrophobicContact CG-CG 4.45Å; K1669-E1671 IonicContact NZ-OE1 2.67Å; K1669-E1671 PolarHBondContact NZ-OE1 3.4Å; K1669-E1671 PolarHBondContact O-N 3.34Å; K1669-D1672 WeakPolarHBondContact CB-OD2 3.38Å; K1669-D1672 PolarHBondContact N-OD2 2.92Å; K1669-D1672 WeakPolarHBondContact O-CB 3.3Å; K1669-D1672 PolarHBondContact O-N 3.46Å | ||
| 1670 | R | 79.7 | Confident | 78.3 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -52.3 | -36.2 | 169.4 | 176.8 | 66.5 | -161.3 | 98.6 | -14.3 | 112.4 | F1663 D1672 V1673 Y1704 | F1663-R1670 HydrophobicContact CE2-CB 4.19Å; F1663-R1670 HydrophobicContact CZ-CB 4.24Å; R1670-D1672 VanDerWaalsContact C-N 3.3Å; R1670-D1672 PolarHBondContact O-N 3.23Å; R1670-V1673 PolarHBondContact NH1-O 3.23Å; R1670-Y1704 VanDerWaalsContact CZ-CE2 3.5Å; R1670-Y1704 PolarHBondContact NH2-O 3.35Å |
| 1671 | E | 76.4 | Confident | 77.3 | Confident | 113 Ų | 113 | 47.9 Ų | 47.9 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -69.1 | -23.8 | -179.6 | 50 | -169.8 | -173.6 | 0 | 0 | 114.1 | K1669 | K1669-E1671 HydrophobicContact CB-CG 3.73Å; K1669-E1671 HydrophobicContact CD-CG 3.72Å; K1669-E1671 WeakPolarHBondContact CD-OE1 3.35Å; K1669-E1671 WeakPolarHBondContact CE-OE1 3.48Å; K1669-E1671 HydrophobicContact CG-CG 4.45Å; K1669-E1671 IonicContact NZ-OE1 2.67Å; K1669-E1671 PolarHBondContact NZ-OE1 3.4Å; K1669-E1671 PolarHBondContact O-N 3.34Å |
| 1672 | D | 73.6 | Confident | 76.2 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -79.1 | -14.3 | -179.7 | -57.3 | -45.7 | 0 | 0 | 0 | 113.9 | R1641 K1669 R1670 | R1641-D1672 WeakPolarHBondContact CB-O 3.48Å; R1641-D1672 WeakPolarHBondContact CD-O 3.11Å; K1669-D1672 WeakPolarHBondContact CB-OD2 3.38Å; K1669-D1672 PolarHBondContact N-OD2 2.92Å; K1669-D1672 WeakPolarHBondContact O-CB 3.3Å; K1669-D1672 PolarHBondContact O-N 3.46Å; R1670-D1672 VanDerWaalsContact C-N 3.3Å; R1670-D1672 PolarHBondContact O-N 3.23Å |
| 1673 | V | 75.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -114.8 | 124.2 | -172.3 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | L1636 R1641 I1643 L1659 W1662 F1663 R1670 V1675 | L1636-V1673 HydrophobicContact CD2-CG2 4.31Å; R1641-V1673 CarbonylContact O-C 3.53Å; R1641-V1673 WeakPolarHBondContact O-CA 3.49Å; I1643-V1673 HydrophobicContact CD1-CG1 4.13Å; L1659-V1673 HydrophobicContact CD2-CG1 4.05Å; L1659-V1673 HydrophobicContact CD2-CG2 4.36Å; W1662-V1673 HydrophobicContact CE3-CG2 4.24Å; W1662-V1673 HydrophobicContact CH2-CG2 4.38Å; W1662-V1673 HydrophobicContact CZ3-CG2 3.58Å; F1663-V1673 HydrophobicContact CE1-CG2 3.86Å; F1663-V1673 HydrophobicContact CZ-CB 4.45Å; F1663-V1673 HydrophobicContact CZ-CG2 4.24Å; R1670-V1673 PolarHBondContact NH1-O 3.23Å; V1673-V1675 HydrophobicContact CG1-CG2 3.74Å | ||
| 1674 | F | 75.7 | Confident | 74.8 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 45% | 0.447 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122.6 | 166.7 | -67.2 | -92.3 | 0 | 0 | 0 | 108.7 | R1641 L1642 I1643 | R1641-F1674 PolarHBondContact O-N 2.69Å; L1642-F1674 CarbonylContact C-O 3.59Å; L1642-F1674 WeakPolarHBondContact CA-O 3.31Å; L1642-F1674 HydrophobicContact CD1-CB 3.73Å; I1643-F1674 PolarHBondContact N-O 2.96Å |
| 1675 | V | 81.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 109.2 | 178.7 | -176.2 | 0 | 0 | 0 | 0 | 106.4 | I1643 T1645 L1659 V1673 L1700 L1702 V1705 D1706 | I1643-V1675 CarbonylContact O-C 3.46Å; I1643-V1675 WeakPolarHBondContact O-CA 3.46Å; T1645-V1675 HydrophobicContact CG2-CG1 4.44Å; L1659-V1675 HydrophobicContact CD1-CG2 3.75Å; V1673-V1675 HydrophobicContact CG1-CG2 3.74Å; V1675-L1700 HydrophobicContact CG1-CD1 3.97Å; V1675-L1700 HydrophobicContact CG1-CD2 4.24Å; V1675-L1702 HydrophobicContact CB-CD1 3.99Å; V1675-L1702 HydrophobicContact CG1-CD1 4Å; V1675-L1702 HydrophobicContact CG2-CD1 3.86Å; V1675-V1705 HydrophobicContact CB-CG1 4.3Å; V1675-V1705 HydrophobicContact CG1-CG1 4.18Å; V1675-V1705 WeakPolarHBondContact O-CB 3.34Å; V1675-D1706 PolarHBondContact O-N 3.02Å |
| 1676 | T | 82.2 | Confident | 74.8 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.6 | -177.5 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | L1642 I1643 D1644 T1645 D1706 F1708 | L1642-T1676 HydrophobicContact CD1-CG2 4Å; I1643-T1676 PolarHBondContact O-N 2.85Å; I1643-T1676 PolarHBondContact O-OG1 3.24Å; D1644-T1676 WeakPolarHBondContact CA-OG1 3.46Å; D1644-T1676 PolarHBondContact OD1-OG1 3.32Å; T1645-T1676 WeakPolarHBondContact CG2-O 3.21Å; T1645-T1676 PolarHBondContact N-O 3.46Å; T1676-D1706 CarbonylContact C-O 3.55Å; T1676-D1706 VanDerWaalsContact CA-O 3.25Å; T1676-D1706 WeakPolarHBondContact CA-O 3.18Å; T1676-D1706 HydrophobicContact CG2-CB 3.7Å; T1676-F1708 HydrophobicContact CG2-CD2 4.28Å; T1676-F1708 HydrophobicContact CG2-CE2 3.69Å |
| 1677 | T | 84.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 161.9 | 170.5 | -163.3 | 0 | 0 | 0 | 0 | 111.5 | T1645 E1652 V1705 D1706 L1707 F1708 | T1645-T1677 WeakPolarHBondContact O-CA 3.37Å; E1652-T1677 WeakPolarHBondContact OE1-CB 3.49Å; E1652-T1677 PolarHBondContact OE1-OG1 3.28Å; T1677-V1705 HydrophobicContact CG2-CB 4.5Å; T1677-V1705 HydrophobicContact CG2-CG2 3.7Å; T1677-D1706 PolarHBondContact N-O 3.29Å; T1677-L1707 HydrophobicContact CG2-CD1 3.72Å; T1677-F1708 PolarHBondContact O-N 2.91Å |
| 1678 | K | 83.9 | Confident | 75.6 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.7 | -176.5 | -76.1 | 153.4 | 179.3 | 170.1 | 0 | 110.6 | D1644 T1645 A1646 F1708 A1710 Q1774 | D1644-K1678 VanDerWaalsContact CG-NZ 3.27Å; D1644-K1678 WeakPolarHBondContact OD1-CE 3.21Å; D1644-K1678 IonicContact OD1-NZ 2.85Å; D1644-K1678 PolarHBondContact OD1-NZ 3.27Å; D1644-K1678 VanDerWaalsContact OD1-NZ 3.09Å; D1644-K1678 IonicContact OD2-NZ 3.2Å; D1644-K1678 PolarHBondContact OD2-NZ 3.2Å; T1645-K1678 PolarHBondContact O-N 2.59Å; A1646-K1678 HydrophobicContact CB-CB 3.84Å; K1678-F1708 WeakPolarHBondContact CA-O 3.46Å; K1678-F1708 HydrophobicContact CG-CB 3.68Å; K1678-A1710 HydrophobicContact CB-CB 4.39Å; K1678-Q1774 VanDerWaalsContact CE-OE1 3.22Å |
| 1679 | L | 79.2 | Confident | 76.2 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | trans | -60.3 | 135 | 175.3 | -74.8 | 171.3 | 0 | 0 | 0 | 111.2 | V1689 L1707 F1708 L1709 T1733 M1737 | L1679-V1689 HydrophobicContact CD1-CG1 4.12Å; L1679-V1689 HydrophobicContact CD1-CG2 4.05Å; L1679-V1689 HydrophobicContact CD2-CB 4.44Å; L1679-V1689 HydrophobicContact CD2-CG1 4.09Å; L1679-L1707 HydrophobicContact CD1-CD2 4.45Å; L1679-L1707 HydrophobicContact CD2-CD1 4.14Å; L1679-L1707 HydrophobicContact CD2-CD2 4.27Å; L1679-L1707 HydrophobicContact CG-CD1 4Å; L1679-L1707 HydrophobicContact CG-CD2 4.31Å; L1679-L1707 HydrophobicContact CG-CG 4.28Å; L1679-F1708 PolarHBondContact N-O 2.81Å; L1679-L1709 HydrophobicContact CD1-CD1 3.93Å; L1679-T1733 HydrophobicContact CD1-CG2 3.94Å; L1679-M1737 HydrophobicContact CD1-CE 4.38Å; L1679-M1737 HydrophobicContact CD1-CG 3.85Å; L1679-M1737 HydrophobicContact CD1-SD 3.89Å | ||
| 1680 | P | 68.5 | Low | 76.5 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | trans | -57.8 | 142.4 | 174.2 | -26.5 | 35.5 | 0 | 0 | 0 | 112.6 | Y1647 Q1682 N1683 | Y1647-P1680 HydrophobicContact CD1-CG 3.75Å; Y1647-P1680 HydrophobicContact CG-CG 4.1Å; P1680-Q1682 HydrophobicContact CB-CG 4.34Å; P1680-Q1682 PolarHBondContact O-N 3.23Å; P1680-N1683 HydrophobicContact CB-CB 4.44Å; P1680-N1683 PolarHBondContact O-N 3.43Å; P1680-N1683 VanDerWaalsContact O-N 3.09Å | ||
| 1681 | E | 63.8 | Low | 76.8 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -2.8 | 179.8 | -56.9 | -176.1 | 140.2 | 0 | 0 | 115.7 | H1684 G1713 | E1681-H1684 PolarHBondContact O-CE1 3.04Å; E1681-H1684 PolarHBondContact O-NE2 3.14Å; E1681-H1684 VanDerWaalsContact O-NE2 3.16Å; E1681-G1713 WeakPolarHBondContact OE1-CA 3.22Å; E1681-G1713 PolarHBondContact OE1-N 2.8Å |
| 1682 | Q | 62.6 | Low | 77 | Confident | 146 Ų | 146 | 47.9 Ų | 47.9 | 68% | 0.682 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122 | 2.4 | -174.2 | 52.4 | -157.7 | -21.1 | 0 | 0 | 113.6 | P1680 | P1680-Q1682 HydrophobicContact CB-CG 4.34Å; P1680-Q1682 PolarHBondContact O-N 3.23Å |
| 1683 | N | 68.5 | Low | 77.6 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | trans | -113.5 | 54.7 | -174.8 | -74.9 | -25.3 | 0 | 0 | 0 | 112.6 | P1680 D1688 R1691 S1692 | P1680-N1683 HydrophobicContact CB-CB 4.44Å; P1680-N1683 PolarHBondContact O-N 3.43Å; P1680-N1683 VanDerWaalsContact O-N 3.09Å; N1683-D1688 HydrophobicContact CB-CB 3.65Å; N1683-R1691 PolarHBondContact OD1-NH2 3.24Å; N1683-S1692 VanDerWaalsContact CB-OG 3.29Å; N1683-S1692 WeakPolarHBondContact CB-OG 3.35Å; N1683-S1692 PolarHBondContact ND2-OG 3.02Å | ||
| 1684 | H | 67.7 | Low | 78.1 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 21% | 0.208 | 22% | 0.224 | C | C | . | . | trans | -78.1 | -23.5 | -173.8 | -52.6 | -48 | 0 | 0 | 0 | 115.9 | E1681 T1733 | E1681-H1684 PolarHBondContact O-CE1 3.04Å; E1681-H1684 PolarHBondContact O-NE2 3.14Å; E1681-H1684 VanDerWaalsContact O-NE2 3.16Å; H1684-T1733 VanDerWaalsContact O-CA 3.28Å; H1684-T1733 WeakPolarHBondContact O-CA 3.47Å; H1684-T1733 VanDerWaalsContact O-CB 3.24Å; H1684-T1733 WeakPolarHBondContact O-CB 3.35Å; H1684-T1733 WeakPolarHBondContact O-CG2 3.37Å; H1684-T1733 PolarHBondContact O-N 3.41Å; H1684-T1733 PolarHBondContact O-OG1 3.43Å | ||
| 1685 | R | 77.2 | Confident | 78.6 | Confident | 148 Ų | 148 | 46.3 Ų | 46.3 | 56% | 0.558 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -78.2 | 152.5 | -176.2 | -59.4 | 168.2 | -62.3 | -175.1 | 4.3 | 110.4 | A1687 D1688 V1689 E1732 | R1685-A1687 PolarHBondContact O-N 3.47Å; R1685-D1688 WeakPolarHBondContact CB-OD2 3.07Å; R1685-D1688 IonicContact CZ-OD2 3Å; R1685-D1688 IonicContact NE-OD2 3.11Å; R1685-D1688 PolarHBondContact NE-OD2 3.26Å; R1685-D1688 IonicContact NH2-OD1 2.62Å; R1685-D1688 PolarHBondContact NH2-OD1 2.7Å; R1685-D1688 VanDerWaalsContact NH2-OD1 3.09Å; R1685-D1688 IonicContact NH2-OD2 2.65Å; R1685-D1688 PolarHBondContact NH2-OD2 3.47Å; R1685-D1688 PolarHBondContact O-N 3.26Å; R1685-V1689 PolarHBondContact O-N 3.04Å; R1685-E1732 WeakPolarHBondContact CA-OE1 3.49Å; R1685-E1732 WeakPolarHBondContact CB-OE1 3.49Å |
| 1686 | R | 79.3 | Confident | 78.7 | Confident | 111 Ų | 111 | 46.4 Ų | 46.4 | 42% | 0.419 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -51.9 | -34.9 | 179.6 | 173.4 | 155.4 | -174.9 | 172 | 4.1 | 113.3 | E1732 R1735 D1739 | R1686-E1732 HydrophobicContact CB-CG 4.35Å; R1686-E1732 WeakPolarHBondContact CB-OE1 3.47Å; R1686-E1732 PolarHBondContact N-OE1 2.99Å; R1686-R1735 PolarHBondContact NE-O 3.4Å; R1686-D1739 IonicContact CZ-OD1 3.68Å; R1686-D1739 IonicContact NE-OD1 3.18Å; R1686-D1739 IonicContact NH2-OD1 2.67Å; R1686-D1739 PolarHBondContact NH2-OD1 3.04Å |
| 1687 | A | 77.8 | Confident | 79 | Confident | 78 Ų | 78 | 46.8 Ų | 46.8 | 65% | 0.645 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -76.5 | -23.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1685 | R1685-A1687 PolarHBondContact O-N 3.47Å |
| 1688 | D | 81.3 | Confident | 79.1 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -82.2 | -24.1 | 179.2 | -61.5 | -51 | 0 | 0 | 0 | 112.1 | N1683 R1685 R1691 S1692 | N1683-D1688 HydrophobicContact CB-CB 3.65Å; R1685-D1688 WeakPolarHBondContact CB-OD2 3.07Å; R1685-D1688 IonicContact CZ-OD2 3Å; R1685-D1688 IonicContact NE-OD2 3.11Å; R1685-D1688 PolarHBondContact NE-OD2 3.26Å; R1685-D1688 IonicContact NH2-OD1 2.62Å; R1685-D1688 PolarHBondContact NH2-OD1 2.7Å; R1685-D1688 VanDerWaalsContact NH2-OD1 3.09Å; R1685-D1688 IonicContact NH2-OD2 2.65Å; R1685-D1688 PolarHBondContact NH2-OD2 3.47Å; R1685-D1688 PolarHBondContact O-N 3.26Å; D1688-R1691 PolarHBondContact O-N 3.26Å; D1688-R1691 IonicContact OD1-CZ 3.87Å; D1688-R1691 VanDerWaalsContact OD1-CZ 3.24Å; D1688-R1691 IonicContact OD1-NH1 3.98Å; D1688-R1691 PolarHBondContact OD1-NH1 2.84Å; D1688-R1691 IonicContact OD1-NH2 3.6Å; D1688-R1691 PolarHBondContact OD1-NH2 2.91Å; D1688-S1692 WeakPolarHBondContact O-CB 3.27Å; D1688-S1692 PolarHBondContact O-N 3.18Å; D1688-S1692 PolarHBondContact O-OG 3.32Å |
| 1689 | V | 83.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 177 | 176.9 | 0 | 0 | 0 | 0 | 112 | L1679 R1685 R1691 S1692 L1693 L1707 T1733 M1737 V1740 | L1679-V1689 HydrophobicContact CD1-CG1 4.12Å; L1679-V1689 HydrophobicContact CD1-CG2 4.05Å; L1679-V1689 HydrophobicContact CD2-CB 4.44Å; L1679-V1689 HydrophobicContact CD2-CG1 4.09Å; R1685-V1689 PolarHBondContact O-N 3.04Å; V1689-R1691 VanDerWaalsContact C-N 3.33Å; V1689-R1691 PolarHBondContact O-N 2.86Å; V1689-S1692 PolarHBondContact O-N 2.82Å; V1689-L1693 WeakPolarHBondContact O-CB 3.28Å; V1689-L1693 PolarHBondContact O-N 3.18Å; V1689-L1707 HydrophobicContact CG1-CD2 4.23Å; V1689-T1733 HydrophobicContact CG2-CG2 3.59Å; V1689-M1737 HydrophobicContact CG1-CG 3.96Å; V1689-V1740 HydrophobicContact CG1-CG1 4.36Å; V1689-V1740 HydrophobicContact CG1-CG2 4.06Å |
| 1690 | E | 84.3 | Confident | 79.5 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | -179.9 | -175.9 | 178.5 | 151.9 | 0 | 0 | 112.2 | K1694 V1740 K1743 L1745 | E1690-K1694 HydrophobicContact CG-CD 4.16Å; E1690-K1694 WeakPolarHBondContact O-CB 3.25Å; E1690-K1694 WeakPolarHBondContact O-CG 3.38Å; E1690-K1694 PolarHBondContact O-N 3.11Å; E1690-K1694 WeakPolarHBondContact OE1-CE 3.29Å; E1690-K1694 IonicContact OE1-NZ 2.68Å; E1690-K1694 PolarHBondContact OE1-NZ 3.46Å; E1690-V1740 HydrophobicContact CB-CG1 3.63Å; E1690-V1740 HydrophobicContact CG-CG1 3.96Å; E1690-K1743 IonicContact OE2-NZ 3.96Å; E1690-K1743 PolarHBondContact OE2-NZ 3.12Å; E1690-L1745 HydrophobicContact CG-CD1 4.06Å |
| 1691 | R | 84.5 | Confident | 80.3 | Confident | 101 Ų | 101 | 59.5 Ų | 59.5 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -52.1 | 175 | -178.2 | -178.8 | 68 | -104 | -1.3 | 111 | N1683 D1688 V1689 L1693 K1694 E1695 | N1683-R1691 PolarHBondContact OD1-NH2 3.24Å; D1688-R1691 PolarHBondContact O-N 3.26Å; D1688-R1691 IonicContact OD1-CZ 3.87Å; D1688-R1691 VanDerWaalsContact OD1-CZ 3.24Å; D1688-R1691 IonicContact OD1-NH1 3.98Å; D1688-R1691 PolarHBondContact OD1-NH1 2.84Å; D1688-R1691 IonicContact OD1-NH2 3.6Å; D1688-R1691 PolarHBondContact OD1-NH2 2.91Å; V1689-R1691 VanDerWaalsContact C-N 3.33Å; V1689-R1691 PolarHBondContact O-N 2.86Å; R1691-L1693 VanDerWaalsContact C-N 3.3Å; R1691-L1693 PolarHBondContact O-N 3.39Å; R1691-K1694 PolarHBondContact O-N 2.6Å; R1691-K1694 VanDerWaalsContact O-N 3.15Å; R1691-E1695 VanDerWaalsContact CD-OE1 3.28Å; R1691-E1695 WeakPolarHBondContact CD-OE1 3.31Å; R1691-E1695 HydrophobicContact CG-CG 4.4Å; R1691-E1695 WeakPolarHBondContact CG-OE1 3.24Å; R1691-E1695 IonicContact NE-OE1 2.66Å; R1691-E1695 WeakPolarHBondContact O-CG 3.47Å; R1691-E1695 PolarHBondContact O-N 3.19Å |
| 1692 | S | 81.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.3 | -45.2 | 179.9 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | N1683 D1688 V1689 S1696 | N1683-S1692 VanDerWaalsContact CB-OG 3.29Å; N1683-S1692 WeakPolarHBondContact CB-OG 3.35Å; N1683-S1692 PolarHBondContact ND2-OG 3.02Å; D1688-S1692 WeakPolarHBondContact O-CB 3.27Å; D1688-S1692 PolarHBondContact O-N 3.18Å; D1688-S1692 PolarHBondContact O-OG 3.32Å; V1689-S1692 PolarHBondContact O-N 2.82Å; S1692-S1696 WeakPolarHBondContact O-CB 3.11Å; S1692-S1696 PolarHBondContact O-N 3.43Å; S1692-S1696 PolarHBondContact O-OG 3.49Å |
| 1693 | L | 86 | Confident | 82.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 179.3 | 178 | 62.1 | 0 | 0 | 0 | 111.3 | V1689 R1691 S1696 L1697 V1705 L1707 V1740 L1745 T1746 | V1689-L1693 WeakPolarHBondContact O-CB 3.28Å; V1689-L1693 PolarHBondContact O-N 3.18Å; R1691-L1693 VanDerWaalsContact C-N 3.3Å; R1691-L1693 PolarHBondContact O-N 3.39Å; L1693-S1696 PolarHBondContact O-N 3.14Å; L1693-L1697 HydrophobicContact CD1-CD1 4.2Å; L1693-L1697 HydrophobicContact CD1-CG 4.27Å; L1693-L1697 HydrophobicContact CG-CD1 3.95Å; L1693-L1697 HydrophobicContact CG-CG 4.45Å; L1693-L1697 WeakPolarHBondContact O-CB 3.28Å; L1693-L1697 WeakPolarHBondContact O-CG 3.26Å; L1693-L1697 PolarHBondContact O-N 3.32Å; L1693-V1705 HydrophobicContact CD1-CG2 3.35Å; L1693-L1707 HydrophobicContact CD1-CD1 4.21Å; L1693-L1707 HydrophobicContact CD1-CD2 4.36Å; L1693-L1707 HydrophobicContact CD2-CD2 4.31Å; L1693-V1740 HydrophobicContact CD2-CB 3.65Å; L1693-V1740 HydrophobicContact CD2-CG1 4.16Å; L1693-V1740 HydrophobicContact CD2-CG2 3.71Å; L1693-L1745 HydrophobicContact CD2-CB 3.48Å; L1693-L1745 VanDerWaalsContact CD2-CB 3.48Å; L1693-L1745 HydrophobicContact CD2-CD1 4.47Å; L1693-L1745 HydrophobicContact CG-CB 4.33Å; L1693-T1746 HydrophobicContact CD2-CG2 4.35Å |
| 1694 | K | 85.7 | Confident | 83.2 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 176.7 | -78.6 | 174.3 | 169.4 | 173.1 | 0 | 112.6 | E1690 R1691 S1696 L1697 E1698 | E1690-K1694 HydrophobicContact CG-CD 4.16Å; E1690-K1694 WeakPolarHBondContact O-CB 3.25Å; E1690-K1694 WeakPolarHBondContact O-CG 3.38Å; E1690-K1694 PolarHBondContact O-N 3.11Å; E1690-K1694 WeakPolarHBondContact OE1-CE 3.29Å; E1690-K1694 IonicContact OE1-NZ 2.68Å; E1690-K1694 PolarHBondContact OE1-NZ 3.46Å; R1691-K1694 PolarHBondContact O-N 2.6Å; R1691-K1694 VanDerWaalsContact O-N 3.15Å; K1694-S1696 VanDerWaalsContact C-N 3.3Å; K1694-S1696 PolarHBondContact O-N 2.65Å; K1694-L1697 PolarHBondContact O-N 3.24Å; K1694-E1698 WeakPolarHBondContact O-CG 3.27Å; K1694-E1698 PolarHBondContact O-N 3.42Å |
| 1695 | E | 85.3 | Confident | 84.1 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 175.6 | -67.5 | 173.4 | -162.7 | 0 | 0 | 111.3 | Y1647 R1691 E1698 N1699 | Y1647-E1695 HydrophobicContact CD2-CB 4.25Å; Y1647-E1695 HydrophobicContact CE2-CB 3.74Å; Y1647-E1695 VanDerWaalsContact CE2-OE2 3.3Å; Y1647-E1695 WeakPolarHBondContact CE2-OE2 3.26Å; Y1647-E1695 VanDerWaalsContact CZ-OE2 3.23Å; Y1647-E1695 PolarHBondContact OH-OE2 2.79Å; R1691-E1695 VanDerWaalsContact CD-OE1 3.28Å; R1691-E1695 WeakPolarHBondContact CD-OE1 3.31Å; R1691-E1695 HydrophobicContact CG-CG 4.4Å; R1691-E1695 WeakPolarHBondContact CG-OE1 3.24Å; R1691-E1695 IonicContact NE-OE1 2.66Å; R1691-E1695 WeakPolarHBondContact O-CG 3.47Å; R1691-E1695 PolarHBondContact O-N 3.19Å; E1695-E1698 PolarHBondContact O-N 2.75Å; E1695-N1699 PolarHBondContact O-N 3.42Å; E1695-N1699 PolarHBondContact O-ND2 3.39Å |
| 1696 | S | 85.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -37.3 | 176.3 | -48.2 | 0 | 0 | 0 | 0 | 112.6 | E1652 S1692 L1693 K1694 L1700 | E1652-S1696 WeakPolarHBondContact OE2-CA 3.34Å; E1652-S1696 WeakPolarHBondContact OE2-CB 3.21Å; S1692-S1696 WeakPolarHBondContact O-CB 3.11Å; S1692-S1696 PolarHBondContact O-N 3.43Å; S1692-S1696 PolarHBondContact O-OG 3.49Å; L1693-S1696 PolarHBondContact O-N 3.14Å; K1694-S1696 VanDerWaalsContact C-N 3.3Å; K1694-S1696 PolarHBondContact O-N 2.65Å; S1696-L1700 VanDerWaalsContact O-CB 3.28Å; S1696-L1700 WeakPolarHBondContact O-CB 3.27Å; S1696-L1700 WeakPolarHBondContact O-CD1 3.39Å; S1696-L1700 VanDerWaalsContact O-CG 3.26Å; S1696-L1700 WeakPolarHBondContact O-CG 3.32Å; S1696-L1700 PolarHBondContact O-N 3Å |
| 1697 | L | 87.7 | Confident | 84.5 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 176.2 | -72.3 | 168.3 | 0 | 0 | 0 | 112.5 | L1693 K1694 K1701 L1702 V1705 L1745 | L1693-L1697 HydrophobicContact CD1-CD1 4.2Å; L1693-L1697 HydrophobicContact CD1-CG 4.27Å; L1693-L1697 HydrophobicContact CG-CD1 3.95Å; L1693-L1697 HydrophobicContact CG-CG 4.45Å; L1693-L1697 WeakPolarHBondContact O-CB 3.28Å; L1693-L1697 WeakPolarHBondContact O-CG 3.26Å; L1693-L1697 PolarHBondContact O-N 3.32Å; K1694-L1697 PolarHBondContact O-N 3.24Å; L1697-K1701 WeakPolarHBondContact O-CA 3.44Å; L1697-K1701 PolarHBondContact O-N 3.19Å; L1697-L1702 WeakPolarHBondContact CD2-O 3.49Å; L1697-L1702 PolarHBondContact O-N 3.13Å; L1697-V1705 HydrophobicContact CD2-CB 4.34Å; L1697-V1705 HydrophobicContact CD2-CG1 3.92Å; L1697-V1705 HydrophobicContact CD2-CG2 3.96Å; L1697-V1705 HydrophobicContact CG-CG2 4.46Å; L1697-L1745 HydrophobicContact CD1-CB 4.43Å |
| 1698 | E | 87.3 | Confident | 84.7 | Confident | 149 Ų | 149 | 39 Ų | 39 | 70% | 0.696 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -65.9 | -42.8 | 175.1 | -73.9 | 178.2 | -176.5 | 0 | 0 | 111.4 | K1694 E1695 K1701 | K1694-E1698 WeakPolarHBondContact O-CG 3.27Å; K1694-E1698 PolarHBondContact O-N 3.42Å; E1695-E1698 PolarHBondContact O-N 2.75Å; E1698-K1701 PolarHBondContact O-N 3.49Å |
| 1699 | N | 85.2 | Confident | 84.6 | Confident | 57 Ų | 57 | 39 Ų | 39 | 31% | 0.305 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.6 | -56.2 | 172.6 | -68.5 | -24.6 | 0 | 0 | 0 | 111.4 | E1652 D1653 E1695 K1701 | E1652-N1699 HydrophobicContact CB-CB 3.51Å; E1652-N1699 PolarHBondContact OE2-ND2 2.76Å; D1653-N1699 WeakPolarHBondContact CA-O 3.45Å; E1695-N1699 PolarHBondContact O-N 3.42Å; E1695-N1699 PolarHBondContact O-ND2 3.39Å; N1699-K1701 PolarHBondContact O-N 2.86Å |
| 1700 | L | 86.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -15.4 | -178 | -69.3 | 164.8 | 0 | 0 | 0 | 113.3 | T1645 E1652 I1655 G1656 V1675 S1696 L1702 V1705 | T1645-L1700 HydrophobicContact CG2-CD1 4.17Å; T1645-L1700 HydrophobicContact CG2-CD2 4.36Å; E1652-L1700 HydrophobicContact CB-CD2 3.95Å; E1652-L1700 HydrophobicContact CB-CG 3.9Å; E1652-L1700 HydrophobicContact CG-CD1 4.42Å; E1652-L1700 HydrophobicContact CG-CD2 4.05Å; E1652-L1700 HydrophobicContact CG-CG 4.05Å; E1652-L1700 WeakPolarHBondContact O-CA 3.41Å; E1652-L1700 WeakPolarHBondContact O-CD2 3.44Å; I1655-L1700 HydrophobicContact CB-CD2 3.78Å; I1655-L1700 HydrophobicContact CG2-CD2 3.47Å; I1655-L1700 VanDerWaalsContact CG2-CD2 3.47Å; G1656-L1700 WeakPolarHBondContact CA-O 3.34Å; V1675-L1700 HydrophobicContact CG1-CD1 3.97Å; V1675-L1700 HydrophobicContact CG1-CD2 4.24Å; S1696-L1700 VanDerWaalsContact O-CB 3.28Å; S1696-L1700 WeakPolarHBondContact O-CB 3.27Å; S1696-L1700 WeakPolarHBondContact O-CD1 3.39Å; S1696-L1700 VanDerWaalsContact O-CG 3.26Å; S1696-L1700 WeakPolarHBondContact O-CG 3.32Å; S1696-L1700 PolarHBondContact O-N 3Å; L1700-L1702 VanDerWaalsContact C-N 3.32Å; L1700-L1702 HydrophobicContact CB-CB 4.48Å; L1700-L1702 HydrophobicContact CB-CD1 3.82Å; L1700-L1702 HydrophobicContact CB-CG 3.82Å; L1700-L1702 HydrophobicContact CD1-CD1 4.41Å; L1700-L1702 WeakPolarHBondContact O-CG 3.46Å; L1700-L1702 PolarHBondContact O-N 3.47Å; L1700-V1705 HydrophobicContact CD1-CG1 3.63Å |
| 1701 | K | 85.2 | Confident | 82.7 | Confident | 91 Ų | 91 | 38.4 Ų | 38.4 | 40% | 0.396 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 45.3 | -176.5 | -57.9 | 153.6 | -170.6 | 158.8 | 0 | 111.5 | Q1660 L1697 E1698 N1699 | Q1660-K1701 HydrophobicContact CG-CB 4.02Å; Q1660-K1701 PolarHBondContact NE2-O 3.31Å; L1697-K1701 WeakPolarHBondContact O-CA 3.44Å; L1697-K1701 PolarHBondContact O-N 3.19Å; E1698-K1701 PolarHBondContact O-N 3.49Å; N1699-K1701 PolarHBondContact O-N 2.86Å |
| 1702 | L | 85.2 | Confident | 81.2 | Confident | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | trans | -124.9 | 151.2 | -178.4 | -53 | 175.7 | 0 | 0 | 0 | 111.1 | L1659 F1663 V1675 L1697 L1700 Y1704 V1705 | L1659-L1702 HydrophobicContact CD1-CD1 4.25Å; L1659-L1702 HydrophobicContact CD1-CD2 4.38Å; F1663-L1702 HydrophobicContact CE2-CD2 3.97Å; V1675-L1702 HydrophobicContact CB-CD1 3.99Å; V1675-L1702 HydrophobicContact CG1-CD1 4Å; V1675-L1702 HydrophobicContact CG2-CD1 3.86Å; L1697-L1702 WeakPolarHBondContact CD2-O 3.49Å; L1697-L1702 PolarHBondContact O-N 3.13Å; L1700-L1702 VanDerWaalsContact C-N 3.32Å; L1700-L1702 HydrophobicContact CB-CB 4.48Å; L1700-L1702 HydrophobicContact CB-CD1 3.82Å; L1700-L1702 HydrophobicContact CB-CG 3.82Å; L1700-L1702 HydrophobicContact CD1-CD1 4.41Å; L1700-L1702 WeakPolarHBondContact O-CG 3.46Å; L1700-L1702 PolarHBondContact O-N 3.47Å; L1702-Y1704 VanDerWaalsContact C-N 3.33Å; L1702-Y1704 PolarHBondContact O-N 3.23Å; L1702-V1705 HydrophobicContact CD1-CG1 3.99Å | ||
| 1703 | D | 83.9 | Confident | 79.4 | Confident | 126 Ų | 126 | 35.3 Ų | 35.3 | 67% | 0.674 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -73.5 | -24.8 | -178.9 | -38.5 | -82.1 | 0 | 0 | 0 | 113.7 | ||
| 1704 | Y | 86.7 | Confident | 77.2 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | trans | -160 | 165.3 | 178 | 53.9 | -98.2 | 0 | 0 | 0 | 109.6 | R1670 L1702 L1745 R1747 | R1670-Y1704 VanDerWaalsContact CZ-CE2 3.5Å; R1670-Y1704 PolarHBondContact NH2-O 3.35Å; L1702-Y1704 VanDerWaalsContact C-N 3.33Å; L1702-Y1704 PolarHBondContact O-N 3.23Å; Y1704-L1745 WeakPolarHBondContact CA-O 3.44Å; Y1704-R1747 HydrophobicContact CD2-CG 3.72Å; Y1704-R1747 HydrophobicContact CE2-CG 4.03Å; Y1704-R1747 HydrophobicContact CG-CG 4.29Å; Y1704-R1747 PolarHBondContact OH-NH2 2.75Å | ||
| 1705 | V | 85.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 176.5 | 170.1 | -72 | 0 | 0 | 0 | 0 | 110.4 | V1675 T1677 L1693 L1697 L1700 L1702 T1746 R1747 | V1675-V1705 HydrophobicContact CB-CG1 4.3Å; V1675-V1705 HydrophobicContact CG1-CG1 4.18Å; V1675-V1705 WeakPolarHBondContact O-CB 3.34Å; T1677-V1705 HydrophobicContact CG2-CB 4.5Å; T1677-V1705 HydrophobicContact CG2-CG2 3.7Å; L1693-V1705 HydrophobicContact CD1-CG2 3.35Å; L1697-V1705 HydrophobicContact CD2-CB 4.34Å; L1697-V1705 HydrophobicContact CD2-CG1 3.92Å; L1697-V1705 HydrophobicContact CD2-CG2 3.96Å; L1697-V1705 HydrophobicContact CG-CG2 4.46Å; L1700-V1705 HydrophobicContact CD1-CG1 3.63Å; L1702-V1705 HydrophobicContact CD1-CG1 3.99Å; V1705-T1746 WeakPolarHBondContact O-CA 3.18Å; V1705-T1746 WeakPolarHBondContact O-CB 3.49Å; V1705-T1746 PolarHBondContact O-OG1 2.96Å; V1705-R1747 PolarHBondContact O-N 3.46Å |
| 1706 | D | 80.3 | Confident | 71.7 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.5 | 166.2 | -67.3 | -70.7 | 0 | 0 | 0 | 108.7 | V1675 T1676 T1677 S1748 | V1675-D1706 PolarHBondContact O-N 3.02Å; T1676-D1706 CarbonylContact C-O 3.55Å; T1676-D1706 VanDerWaalsContact CA-O 3.25Å; T1676-D1706 WeakPolarHBondContact CA-O 3.18Å; T1676-D1706 HydrophobicContact CG2-CB 3.7Å; T1677-D1706 PolarHBondContact N-O 3.29Å; D1706-S1748 WeakPolarHBondContact OD1-CB 3.28Å; D1706-S1748 PolarHBondContact OD1-N 3.44Å; D1706-S1748 PolarHBondContact OD1-OG 3.09Å |
| 1707 | L | 84.3 | Confident | 68.8 | Low | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.6 | -165.5 | -173 | 64.9 | 0 | 0 | 0 | 113.3 | T1677 L1679 V1689 L1693 M1737 V1740 T1746 S1748 I1749 G1750 | T1677-L1707 HydrophobicContact CG2-CD1 3.72Å; L1679-L1707 HydrophobicContact CD1-CD2 4.45Å; L1679-L1707 HydrophobicContact CD2-CD1 4.14Å; L1679-L1707 HydrophobicContact CD2-CD2 4.27Å; L1679-L1707 HydrophobicContact CG-CD1 4Å; L1679-L1707 HydrophobicContact CG-CD2 4.31Å; L1679-L1707 HydrophobicContact CG-CG 4.28Å; V1689-L1707 HydrophobicContact CG1-CD2 4.23Å; L1693-L1707 HydrophobicContact CD1-CD1 4.21Å; L1693-L1707 HydrophobicContact CD1-CD2 4.36Å; L1693-L1707 HydrophobicContact CD2-CD2 4.31Å; L1707-M1737 HydrophobicContact CB-CE 4.38Å; L1707-M1737 HydrophobicContact CD2-CE 4.22Å; L1707-M1737 HydrophobicContact CD2-CG 4.25Å; L1707-M1737 HydrophobicContact CG-CE 3.94Å; L1707-M1737 WeakPolarHBondContact O-CE 3.08Å; L1707-V1740 HydrophobicContact CD2-CG2 4.1Å; L1707-T1746 HydrophobicContact CB-CG2 4.42Å; L1707-T1746 PolarHBondContact N-OG1 3.37Å; L1707-S1748 PolarHBondContact N-O 3.02Å; L1707-I1749 CarbonylContact O-C 3.52Å; L1707-I1749 VanDerWaalsContact O-CA 3.29Å; L1707-I1749 WeakPolarHBondContact O-CA 3.41Å; L1707-G1750 PolarHBondContact O-N 2.92Å |
| 1708 | F | 81.9 | Confident | 65.8 | Low | 12 Ų | 12 | 67.9 Ų | 67.9 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.6 | 174.1 | -78.8 | -77.5 | 0 | 0 | 0 | 112.9 | T1676 T1677 K1678 L1679 G1750 N1772 Q1774 | T1676-F1708 HydrophobicContact CG2-CD2 4.28Å; T1676-F1708 HydrophobicContact CG2-CE2 3.69Å; T1677-F1708 PolarHBondContact O-N 2.91Å; K1678-F1708 WeakPolarHBondContact CA-O 3.46Å; K1678-F1708 HydrophobicContact CG-CB 3.68Å; L1679-F1708 PolarHBondContact N-O 2.81Å; F1708-G1750 WeakPolarHBondContact CA-O 3.36Å; F1708-N1772 HydrophobicContact CE1-CB 3.96Å; F1708-N1772 HydrophobicContact CZ-CB 3.86Å; F1708-Q1774 HydrophobicContact CE1-CB 4.38Å |
| 1709 | L | 79.4 | Confident | 62.8 | Low | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 115 | 161.9 | -169.3 | 50.9 | 0 | 0 | 0 | 108.9 | L1679 T1733 W1734 M1737 G1750 L1751 S1752 F1754 | L1679-L1709 HydrophobicContact CD1-CD1 3.93Å; L1709-T1733 HydrophobicContact CD1-CG2 3.5Å; L1709-T1733 VanDerWaalsContact CD1-CG2 3.5Å; L1709-W1734 HydrophobicContact CD2-CE3 4.14Å; L1709-M1737 HydrophobicContact CB-CE 4.05Å; L1709-M1737 HydrophobicContact CB-SD 3.64Å; L1709-M1737 HydrophobicContact CD1-SD 4.28Å; L1709-M1737 HydrophobicContact CD2-SD 4.25Å; L1709-M1737 HydrophobicContact CG-SD 4.28Å; L1709-G1750 PolarHBondContact N-O 3.4Å; L1709-L1751 HydrophobicContact CB-CD2 4.07Å; L1709-L1751 HydrophobicContact CD2-CD2 4.04Å; L1709-S1752 PolarHBondContact O-N 3.47Å; L1709-F1754 HydrophobicContact CB-CE2 4.45Å; L1709-F1754 HydrophobicContact CD2-CE1 4.27Å; L1709-F1754 HydrophobicContact CD2-CE2 4.23Å; L1709-F1754 HydrophobicContact CD2-CZ 3.54Å; L1709-F1754 HydrophobicContact CG-CE2 3.95Å; L1709-F1754 HydrophobicContact CG-CZ 3.76Å |
| 1710 | A | 67.2 | Low | 60.1 | Low | 24 Ų | 24 | 70.2 Ų | 70.2 | 20% | 0.198 | 36% | 0.361 | C | S | . | . | trans | -89.4 | 158.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1678 | K1678-A1710 HydrophobicContact CB-CB 4.39Š| ||
| 1711 | S | 62.1 | Low | 57.6 | Low | 9 Ų | 9 | 77.2 Ų | 77.2 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | trans | -71 | 149.2 | 172.6 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | G1713 | S1711-G1713 PolarHBondContact O-N 2.77Š| ||
| 1712 | D | 52.3 | Low | 55.4 | Low | 9 Ų | 9 | 78.4 Ų | 78.4 | 5% | 0.048 | 41% | 0.406 | C | S | . | . | trans | -76.7 | 79.8 | 174.9 | 63.7 | -58.3 | 0 | 0 | 0 | 112.1 | R1714 P1725 V1728 | D1712-R1714 PolarHBondContact O-N 2.97Å; D1712-P1725 VanDerWaalsContact CG-CD 3.48Å; D1712-P1725 WeakPolarHBondContact OD1-CD 3.27Å; D1712-P1725 VanDerWaalsContact OD2-CD 3.28Å; D1712-P1725 WeakPolarHBondContact OD2-CD 3.34Å; D1712-V1728 WeakPolarHBondContact OD2-CG2 3.43Å | ||
| 1713 | G | 44.3 | Very low | 53.3 | Low | 29 Ų | 29 | 80.8 Ų | 80.8 | 30% | 0.299 | 42% | 0.422 | S | S | . | . | trans | -69.5 | 55.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E1681 S1711 K1715 | E1681-G1713 WeakPolarHBondContact OE1-CA 3.22Å; E1681-G1713 PolarHBondContact OE1-N 2.8Å; S1711-G1713 PolarHBondContact O-N 2.77Å; G1713-K1715 PolarHBondContact O-N 3.12Å | ||
| 1714 | R | 38.7 | Very low | 51.8 | Low | 207 Ų | 207 | 75.1 Ų | 75.1 | 78% | 0.781 | 39% | 0.392 | S | S | * | . | trans | -59.3 | 100 | 179 | -68.8 | -169.3 | -176.6 | -163.3 | 2.2 | 112.2 | D1712 | D1712-R1714 PolarHBondContact O-N 2.97Š| ||
| 1715 | K | 29.6 | Very low | 50.2 | Low | 196 Ų | 196 | 75.6 Ų | 75.6 | 85% | 0.852 | 40% | 0.402 | S | S | * | . | trans | -7.1 | 121.1 | 163.2 | -64.5 | 178.5 | 175.8 | -179.3 | 0 | 116.2 | G1713 | G1713-K1715 PolarHBondContact O-N 3.12Š| ||
| 1716 | V | 26.4 | Very low | 48.7 | Very low | 139 Ų | 139 | 80.9 Ų | 80.9 | 84% | 0.842 | 43% | 0.43 | S | S | * | . | -151.6 | 157.8 | 114 | 163.8 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 1717 | D | 25.4 | Very low | 47.7 | Very low | 142 Ų | 142 | 87.1 Ų | 87.1 | 76% | 0.759 | 46% | 0.463 | S | S | * | . | trans | -53.1 | 151 | -176.3 | -60.6 | -86.8 | 0 | 0 | 0 | 117.4 | ||||
| 1718 | L | 23.9 | Very low | 46.5 | Very low | 159 Ų | 159 | 88.1 Ų | 88.1 | 83% | 0.832 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 59.4 | 100.2 | 153.7 | -64.7 | 166.5 | 0 | 0 | 0 | 118.5 | ||
| 1719 | V | 25.2 | Very low | 46 | Very low | 123 Ų | 123 | 91.8 Ų | 91.8 | 75% | 0.745 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 67.7 | 81.4 | 154.1 | -165.5 | 0 | 0 | 0 | 0 | 116 | ||
| 1720 | N | 28.7 | Very low | 45.8 | Very low | 131 Ų | 131 | 92.1 Ų | 92.1 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | 171.4 | 162 | 128.1 | -85.9 | -35.6 | 0 | 0 | 0 | 112.8 | |||||
| 1721 | D | 32.8 | Very low | 46.4 | Very low | 147 Ų | 147 | 92.7 Ų | 92.7 | 79% | 0.786 | 49% | 0.49 | S | S | * | . | trans | 42.9 | 89.1 | 152.5 | -58.3 | -22.9 | 0 | 0 | 0 | 119.9 | C1723 | D1721-C1723 PolarHBondContact O-N 3.22Š| ||
| 1722 | H | 39.1 | Very low | 47.4 | Very low | 117 Ų | 117 | 95.6 Ų | 95.6 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | trans | -86.5 | 103.2 | 163.3 | -58.4 | -47.1 | 0 | 0 | 0 | 111.4 | ||||
| 1723 | C | 42.1 | Very low | 48.7 | Very low | 63 Ų | 63 | 95.2 Ų | 95.2 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | trans | -143 | 147.1 | 167.6 | -81.6 | 0 | 0 | 0 | 0 | 109.3 | D1721 | D1721-C1723 PolarHBondContact O-N 3.22Š| ||
| 1724 | V | 52.3 | Low | 50.8 | Low | 7 Ų | 7 | 94 Ų | 94 | 4% | 0.042 | 49% | 0.487 | C | S | . | . | trans | -55.6 | 133.2 | 170.5 | 170.3 | 0 | 0 | 0 | 0 | 109.7 | Y1730 F1754 Q1758 | V1724-Y1730 HydrophobicContact CG1-CD1 3.81Å; V1724-Y1730 HydrophobicContact CG1-CE1 4.24Å; V1724-F1754 HydrophobicContact CG2-CD2 4.24Å; V1724-F1754 HydrophobicContact CG2-CE2 3.83Å; V1724-F1754 HydrophobicContact CG2-CZ 4.04Å; V1724-Q1758 PolarHBondContact O-NE2 2.71Å | ||
| 1725 | P | 52.5 | Low | 53 | Low | 60 Ų | 60 | 89.5 Ų | 89.5 | 39% | 0.39 | 47% | 0.47 | S | S | . | . | trans | -73.2 | 143 | 167.6 | -14.9 | 31.8 | 0 | 0 | 0 | 110.6 | D1712 N1727 V1728 | D1712-P1725 VanDerWaalsContact CG-CD 3.48Å; D1712-P1725 WeakPolarHBondContact OD1-CD 3.27Å; D1712-P1725 VanDerWaalsContact OD2-CD 3.28Å; D1712-P1725 WeakPolarHBondContact OD2-CD 3.34Å; P1725-N1727 PolarHBondContact O-N 2.9Å; P1725-V1728 PolarHBondContact O-N 3.14Å | ||
| 1726 | D | 54.4 | Low | 55.7 | Low | 111 Ų | 111 | 80.1 Ų | 80.1 | 59% | 0.594 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 7.8 | -172.5 | -84.6 | -23.6 | 0 | 0 | 0 | 115.9 | R1761 | D1726-R1761 IonicContact OD1-CZ 3.25Å; D1726-R1761 IonicContact OD1-NH1 2.59Å; D1726-R1761 PolarHBondContact OD1-NH1 3.18Å; D1726-R1761 IonicContact OD1-NH2 3.97Å; D1726-R1761 PolarHBondContact OD1-NH2 2.85Å; D1726-R1761 IonicContact OD2-NH1 3.79Å; D1726-R1761 IonicContact OD2-NH2 2.86Å; D1726-R1761 PolarHBondContact OD2-NH2 3.34Å |
| 1727 | N | 58.4 | Low | 58.6 | Low | 137 Ų | 137 | 73.5 Ų | 73.5 | 73% | 0.733 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -2.9 | 179.4 | 67.8 | -5.8 | 0 | 0 | 0 | 114.9 | P1725 | P1725-N1727 PolarHBondContact O-N 2.9Š|
| 1728 | V | 60.1 | Low | 61.6 | Low | 23 Ų | 23 | 67.8 Ų | 67.8 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -93.7 | 131.4 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | D1712 P1725 Y1730 | D1712-V1728 WeakPolarHBondContact OD2-CG2 3.43Å; P1725-V1728 PolarHBondContact O-N 3.14Å; V1728-Y1730 VanDerWaalsContact C-N 3.26Å; V1728-Y1730 WeakPolarHBondContact O-CD1 3.37Å; V1728-Y1730 PolarHBondContact O-N 3.26Å |
| 1729 | D | 71.3 | Confident | 64.6 | Low | 89 Ų | 89 | 62 Ų | 62 | 48% | 0.476 | 33% | 0.328 | S | S | . | . | trans | -79.9 | 72.9 | 176.5 | -166.2 | -12 | 0 | 0 | 0 | 111.7 | L1731 E1732 T1733 | D1729-L1731 PolarHBondContact O-N 2.99Å; D1729-L1731 WeakPolarHBondContact OD1-CA 3.3Å; D1729-L1731 VanDerWaalsContact OD1-CB 3.31Å; D1729-L1731 WeakPolarHBondContact OD1-CB 3.47Å; D1729-L1731 PolarHBondContact OD1-N 3.03Å; D1729-E1732 HydrophobicContact CB-CB 4.37Å; D1729-E1732 PolarHBondContact O-N 2.97Å; D1729-E1732 PolarHBondContact OD1-N 3Å; D1729-T1733 PolarHBondContact O-N 3.41Å; D1729-T1733 PolarHBondContact O-OG1 3.18Å | ||
| 1730 | Y | 75 | Confident | 67.6 | Low | 13 Ų | 13 | 56.1 Ų | 56.1 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -12.1 | 171.2 | 55.6 | -98.6 | 0 | 0 | 0 | 113.2 | V1724 V1728 W1734 F1754 Q1758 R1761 V1762 | V1724-Y1730 HydrophobicContact CG1-CD1 3.81Å; V1724-Y1730 HydrophobicContact CG1-CE1 4.24Å; V1728-Y1730 VanDerWaalsContact C-N 3.26Å; V1728-Y1730 WeakPolarHBondContact O-CD1 3.37Å; V1728-Y1730 PolarHBondContact O-N 3.26Å; Y1730-W1734 WeakPolarHBondContact O-CB 3.26Å; Y1730-W1734 PolarHBondContact O-N 3.45Å; Y1730-F1754 AromaticContact CD2-CE1 3.84Å; Y1730-F1754 HydrophobicContact CD2-CE1 3.84Å; Y1730-F1754 HydrophobicContact CE2-CE1 4.39Å; Y1730-F1754 AromaticContact CG-CE1 3.94Å; Y1730-F1754 HydrophobicContact CG-CE1 3.94Å; Y1730-F1754 HydrophobicContact CG-CZ 4.26Å; Y1730-Q1758 HydrophobicContact CE1-CG 4.38Å; Y1730-R1761 HydrophobicContact CE2-CB 4.32Å; Y1730-R1761 WeakPolarHBondContact OH-CB 3.46Å; Y1730-R1761 WeakPolarHBondContact OH-CD 3.49Å; Y1730-R1761 PolarHBondContact OH-NE 3.42Å; Y1730-R1761 PolarHBondContact OH-NH1 2.8Å; Y1730-V1762 HydrophobicContact CD2-CG2 3.71Å; Y1730-V1762 HydrophobicContact CE2-CG2 3.72Å |
| 1731 | L | 80 | Confident | 70.4 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -79.6 | -31.1 | 174.1 | -57.4 | 178.1 | 0 | 0 | 0 | 111.3 | D1729 R1735 V1762 | D1729-L1731 PolarHBondContact O-N 2.99Å; D1729-L1731 WeakPolarHBondContact OD1-CA 3.3Å; D1729-L1731 VanDerWaalsContact OD1-CB 3.31Å; D1729-L1731 WeakPolarHBondContact OD1-CB 3.47Å; D1729-L1731 PolarHBondContact OD1-N 3.03Å; L1731-R1735 WeakPolarHBondContact O-CD 2.98Å; L1731-R1735 VanDerWaalsContact O-CG 3.22Å; L1731-R1735 WeakPolarHBondContact O-CG 3.44Å; L1731-R1735 PolarHBondContact O-N 3.47Å; L1731-V1762 HydrophobicContact CD2-CG2 4.14Å |
| 1732 | E | 82.5 | Confident | 72.9 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 166.9 | -153 | -146.7 | 134.8 | 0 | 0 | 110.9 | R1685 R1686 D1729 R1735 G1736 | R1685-E1732 WeakPolarHBondContact CA-OE1 3.49Å; R1685-E1732 WeakPolarHBondContact CB-OE1 3.49Å; R1686-E1732 HydrophobicContact CB-CG 4.35Å; R1686-E1732 WeakPolarHBondContact CB-OE1 3.47Å; R1686-E1732 PolarHBondContact N-OE1 2.99Å; D1729-E1732 HydrophobicContact CB-CB 4.37Å; D1729-E1732 PolarHBondContact O-N 2.97Å; D1729-E1732 PolarHBondContact OD1-N 3Å; E1732-R1735 PolarHBondContact O-N 3.18Å; E1732-G1736 PolarHBondContact O-N 3.37Å; E1732-G1736 VanDerWaalsContact O-N 3.14Å |
| 1733 | T | 80.8 | Confident | 75.2 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176 | -30.2 | 0 | 0 | 0 | 0 | 111.2 | L1679 H1684 V1689 L1709 D1729 R1735 G1736 M1737 | L1679-T1733 HydrophobicContact CD1-CG2 3.94Å; H1684-T1733 VanDerWaalsContact O-CA 3.28Å; H1684-T1733 WeakPolarHBondContact O-CA 3.47Å; H1684-T1733 VanDerWaalsContact O-CB 3.24Å; H1684-T1733 WeakPolarHBondContact O-CB 3.35Å; H1684-T1733 WeakPolarHBondContact O-CG2 3.37Å; H1684-T1733 PolarHBondContact O-N 3.41Å; H1684-T1733 PolarHBondContact O-OG1 3.43Å; V1689-T1733 HydrophobicContact CG2-CG2 3.59Å; L1709-T1733 HydrophobicContact CD1-CG2 3.5Å; L1709-T1733 VanDerWaalsContact CD1-CG2 3.5Å; D1729-T1733 PolarHBondContact O-N 3.41Å; D1729-T1733 PolarHBondContact O-OG1 3.18Å; T1733-R1735 VanDerWaalsContact C-N 3.34Å; T1733-R1735 PolarHBondContact O-N 3.11Å; T1733-G1736 CarbonylContact O-C 3.54Å; T1733-G1736 WeakPolarHBondContact O-CA 3.35Å; T1733-G1736 PolarHBondContact O-N 3.32Å; T1733-M1737 PolarHBondContact O-N 3.21Å |
| 1734 | W | 87.1 | Confident | 77.1 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 177.2 | -167.7 | -95 | 0 | 0 | 0 | 112.3 | L1709 Y1730 G1736 M1737 E1738 I1749 L1751 V1762 C1766 V1768 P1770 | L1709-W1734 HydrophobicContact CD2-CE3 4.14Å; Y1730-W1734 WeakPolarHBondContact O-CB 3.26Å; Y1730-W1734 PolarHBondContact O-N 3.45Å; W1734-G1736 PolarHBondContact O-N 2.94Å; W1734-M1737 HydrophobicContact CE3-SD 3.79Å; W1734-M1737 HydrophobicContact CZ3-CE 4.15Å; W1734-M1737 HydrophobicContact CZ3-SD 3.93Å; W1734-M1737 WeakPolarHBondContact O-CA 3.5Å; W1734-M1737 WeakPolarHBondContact O-CB 3.26Å; W1734-M1737 PolarHBondContact O-N 3.02Å; W1734-E1738 PolarHBondContact NE1-OE1 3.24Å; W1734-E1738 WeakPolarHBondContact O-CG 3.19Å; W1734-E1738 PolarHBondContact O-N 3.38Å; W1734-I1749 HydrophobicContact CH2-CB 4.06Å; W1734-I1749 HydrophobicContact CH2-CD1 3.9Å; W1734-I1749 HydrophobicContact CH2-CG1 3.69Å; W1734-I1749 HydrophobicContact CZ2-CB 4.48Å; W1734-I1749 HydrophobicContact CZ2-CD1 3.44Å; W1734-I1749 VanDerWaalsContact CZ2-CD1 3.44Å; W1734-I1749 HydrophobicContact CZ2-CG1 3.65Å; W1734-L1751 HydrophobicContact CE3-CD2 3.67Å; W1734-L1751 HydrophobicContact CH2-CD2 4.44Å; W1734-L1751 HydrophobicContact CH2-CG 4.48Å; W1734-L1751 HydrophobicContact CZ3-CD2 3.49Å; W1734-L1751 VanDerWaalsContact CZ3-CD2 3.49Å; W1734-L1751 HydrophobicContact CZ3-CG 3.94Å; W1734-V1762 HydrophobicContact CD2-CG1 3.79Å; W1734-V1762 HydrophobicContact CE3-CG1 4.17Å; W1734-V1762 HydrophobicContact CG-CG1 4.07Å; W1734-C1766 VanDerWaalsContact NE1-CB 3.31Å; W1734-V1768 WeakPolarHBondContact CZ2-O 3.08Å; W1734-V1768 PolarHBondContact NE1-O 2.59Å; W1734-P1770 HydrophobicContact CH2-CB 3.61Å; W1734-P1770 HydrophobicContact CH2-CG 4.39Å; W1734-P1770 HydrophobicContact CZ2-CB 4.08Å; W1734-P1770 HydrophobicContact CZ3-CB 4.47Å |
| 1735 | R | 85.2 | Confident | 78.6 | Confident | 113 Ų | 113 | 49.2 Ų | 49.2 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.9 | -25.7 | 173.6 | -71.5 | 163.9 | -179.4 | 153 | 0.7 | 113.3 | R1686 L1731 E1732 T1733 D1739 | R1686-R1735 PolarHBondContact NE-O 3.4Å; L1731-R1735 WeakPolarHBondContact O-CD 2.98Å; L1731-R1735 VanDerWaalsContact O-CG 3.22Å; L1731-R1735 WeakPolarHBondContact O-CG 3.44Å; L1731-R1735 PolarHBondContact O-N 3.47Å; E1732-R1735 PolarHBondContact O-N 3.18Å; T1733-R1735 VanDerWaalsContact C-N 3.34Å; T1733-R1735 PolarHBondContact O-N 3.11Å; R1735-D1739 PolarHBondContact O-N 2.95Å |
| 1736 | G | 86.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.2 | -35.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1732 T1733 W1734 D1739 V1740 | E1732-G1736 PolarHBondContact O-N 3.37Å; E1732-G1736 VanDerWaalsContact O-N 3.14Å; T1733-G1736 CarbonylContact O-C 3.54Å; T1733-G1736 WeakPolarHBondContact O-CA 3.35Å; T1733-G1736 PolarHBondContact O-N 3.32Å; W1734-G1736 PolarHBondContact O-N 2.94Å; G1736-D1739 WeakPolarHBondContact O-CB 3.29Å; G1736-D1739 PolarHBondContact O-N 3.12Å; G1736-V1740 WeakPolarHBondContact O-CG2 3.29Å; G1736-V1740 PolarHBondContact O-N 2.94Å; G1736-V1740 VanDerWaalsContact O-N 3.08Å |
| 1737 | M | 88.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 173.9 | -64.9 | 175.7 | 81.4 | 0 | 0 | 111.6 | L1679 V1689 L1707 L1709 T1733 W1734 D1739 V1740 L1741 I1749 | L1679-M1737 HydrophobicContact CD1-CE 4.38Å; L1679-M1737 HydrophobicContact CD1-CG 3.85Å; L1679-M1737 HydrophobicContact CD1-SD 3.89Å; V1689-M1737 HydrophobicContact CG1-CG 3.96Å; L1707-M1737 HydrophobicContact CB-CE 4.38Å; L1707-M1737 HydrophobicContact CD2-CE 4.22Å; L1707-M1737 HydrophobicContact CD2-CG 4.25Å; L1707-M1737 HydrophobicContact CG-CE 3.94Å; L1707-M1737 WeakPolarHBondContact O-CE 3.08Å; L1709-M1737 HydrophobicContact CB-CE 4.05Å; L1709-M1737 HydrophobicContact CB-SD 3.64Å; L1709-M1737 HydrophobicContact CD1-SD 4.28Å; L1709-M1737 HydrophobicContact CD2-SD 4.25Å; L1709-M1737 HydrophobicContact CG-SD 4.28Å; T1733-M1737 PolarHBondContact O-N 3.21Å; W1734-M1737 HydrophobicContact CE3-SD 3.79Å; W1734-M1737 HydrophobicContact CZ3-CE 4.15Å; W1734-M1737 HydrophobicContact CZ3-SD 3.93Å; W1734-M1737 WeakPolarHBondContact O-CA 3.5Å; W1734-M1737 WeakPolarHBondContact O-CB 3.26Å; W1734-M1737 PolarHBondContact O-N 3.02Å; M1737-D1739 VanDerWaalsContact C-N 3.27Å; M1737-D1739 PolarHBondContact O-N 3.45Å; M1737-V1740 VanDerWaalsContact O-CG2 3.26Å; M1737-V1740 WeakPolarHBondContact O-CG2 3.41Å; M1737-V1740 PolarHBondContact O-N 3.49Å; M1737-L1741 VanDerWaalsContact O-CB 3.27Å; M1737-L1741 WeakPolarHBondContact O-CB 3.18Å; M1737-L1741 PolarHBondContact O-N 2.69Å; M1737-I1749 HydrophobicContact CB-CB 4.25Å; M1737-I1749 HydrophobicContact CB-CD1 4.1Å; M1737-I1749 HydrophobicContact CB-CG2 3.95Å; M1737-I1749 HydrophobicContact CE-CB 3.98Å; M1737-I1749 HydrophobicContact CE-CG2 4.3Å |
| 1738 | E | 87.7 | Confident | 82.7 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -37.3 | 171.5 | -67.4 | 179.2 | 170 | 0 | 0 | 112 | W1734 S1742 I1749 T1767 V1768 | W1734-E1738 PolarHBondContact NE1-OE1 3.24Å; W1734-E1738 WeakPolarHBondContact O-CG 3.19Å; W1734-E1738 PolarHBondContact O-N 3.38Å; E1738-S1742 WeakPolarHBondContact O-CB 3.37Å; E1738-S1742 PolarHBondContact O-N 2.83Å; E1738-I1749 HydrophobicContact CG-CD1 3.9Å; E1738-T1767 WeakPolarHBondContact OE1-CA 3.15Å; E1738-T1767 PolarHBondContact OE1-N 3.1Å; E1738-T1767 VanDerWaalsContact OE2-CB 3.28Å; E1738-T1767 WeakPolarHBondContact OE2-CB 3.35Å; E1738-T1767 PolarHBondContact OE2-OG1 3.29Å; E1738-V1768 HydrophobicContact CG-CB 4.09Å; E1738-V1768 HydrophobicContact CG-CG2 4.17Å; E1738-V1768 PolarHBondContact OE1-N 3.04Å |
| 1739 | D | 87.1 | Confident | 84.1 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -48.1 | 178.2 | -158.8 | 86.6 | 0 | 0 | 0 | 111.9 | R1686 R1735 G1736 M1737 S1742 K1743 | R1686-D1739 IonicContact CZ-OD1 3.68Å; R1686-D1739 IonicContact NE-OD1 3.18Å; R1686-D1739 IonicContact NH2-OD1 2.67Å; R1686-D1739 PolarHBondContact NH2-OD1 3.04Å; R1735-D1739 PolarHBondContact O-N 2.95Å; G1736-D1739 WeakPolarHBondContact O-CB 3.29Å; G1736-D1739 PolarHBondContact O-N 3.12Å; M1737-D1739 VanDerWaalsContact C-N 3.27Å; M1737-D1739 PolarHBondContact O-N 3.45Å; D1739-S1742 PolarHBondContact O-N 2.84Å; D1739-S1742 PolarHBondContact O-OG 3.04Å; D1739-K1743 WeakPolarHBondContact O-CG 3.35Å; D1739-K1743 PolarHBondContact O-N 2.91Å; D1739-K1743 VanDerWaalsContact OD2-CE 3.25Å; D1739-K1743 WeakPolarHBondContact OD2-CE 3.12Å; D1739-K1743 IonicContact OD2-NZ 3.72Å; D1739-K1743 PolarHBondContact OD2-NZ 3.18Å |
| 1740 | V | 88.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.2 | -29.5 | 179 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | V1689 E1690 L1693 L1707 G1736 M1737 K1743 G1744 L1745 T1746 | V1689-V1740 HydrophobicContact CG1-CG1 4.36Å; V1689-V1740 HydrophobicContact CG1-CG2 4.06Å; E1690-V1740 HydrophobicContact CB-CG1 3.63Å; E1690-V1740 HydrophobicContact CG-CG1 3.96Å; L1693-V1740 HydrophobicContact CD2-CB 3.65Å; L1693-V1740 HydrophobicContact CD2-CG1 4.16Å; L1693-V1740 HydrophobicContact CD2-CG2 3.71Å; L1707-V1740 HydrophobicContact CD2-CG2 4.1Å; G1736-V1740 WeakPolarHBondContact O-CG2 3.29Å; G1736-V1740 PolarHBondContact O-N 2.94Å; G1736-V1740 VanDerWaalsContact O-N 3.08Å; M1737-V1740 VanDerWaalsContact O-CG2 3.26Å; M1737-V1740 WeakPolarHBondContact O-CG2 3.41Å; M1737-V1740 PolarHBondContact O-N 3.49Å; V1740-K1743 PolarHBondContact O-N 2.92Å; V1740-G1744 PolarHBondContact O-N 2.87Å; V1740-L1745 HydrophobicContact CB-CB 4.43Å; V1740-L1745 HydrophobicContact CB-CD1 4.39Å; V1740-L1745 HydrophobicContact CG1-CD1 4.3Å; V1740-L1745 PolarHBondContact O-N 3.43Å; V1740-L1745 VanDerWaalsContact O-N 3.13Å; V1740-T1746 HydrophobicContact CG2-CG2 4.03Å |
| 1741 | L | 87.6 | Confident | 85 | Confident | 34 Ų | 34 | 34.3 Ų | 34.3 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 168.2 | -179.7 | 70.4 | 0 | 0 | 0 | 110.5 | M1737 K1743 G1744 T1746 R1747 I1749 V1768 | M1737-L1741 VanDerWaalsContact O-CB 3.27Å; M1737-L1741 WeakPolarHBondContact O-CB 3.18Å; M1737-L1741 PolarHBondContact O-N 2.69Å; L1741-K1743 PolarHBondContact O-N 2.91Å; L1741-G1744 PolarHBondContact O-N 3.09Å; L1741-T1746 HydrophobicContact CB-CG2 4.04Å; L1741-T1746 HydrophobicContact CD1-CG2 4.18Å; L1741-T1746 WeakPolarHBondContact CD1-O 3.27Å; L1741-R1747 WeakPolarHBondContact CD1-O 3.06Å; L1741-I1749 HydrophobicContact CB-CG2 4.08Å; L1741-I1749 HydrophobicContact CD1-CG2 4.46Å; L1741-I1749 HydrophobicContact CD2-CD1 3.97Å; L1741-I1749 HydrophobicContact CD2-CG1 4.07Å; L1741-I1749 HydrophobicContact CD2-CG2 4.42Å; L1741-V1768 HydrophobicContact CD2-CB 4.39Å; L1741-V1768 HydrophobicContact CD2-CG1 3.83Å; L1741-V1768 HydrophobicContact CD2-CG2 4.41Å |
| 1742 | S | 85.4 | Confident | 84.6 | Confident | 97 Ų | 97 | 32.7 Ų | 32.7 | 68% | 0.678 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -64.9 | -27.1 | 177.2 | 81.9 | 0 | 0 | 0 | 0 | 113.2 | E1738 D1739 G1744 | E1738-S1742 WeakPolarHBondContact O-CB 3.37Å; E1738-S1742 PolarHBondContact O-N 2.83Å; D1739-S1742 PolarHBondContact O-N 2.84Å; D1739-S1742 PolarHBondContact O-OG 3.04Å; S1742-G1744 VanDerWaalsContact C-N 3.32Å |
| 1743 | K | 86.4 | Confident | 83.7 | Confident | 104 Ų | 104 | 31.7 Ų | 31.7 | 45% | 0.452 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.3 | 173.3 | -71.2 | 165 | 170.9 | 166.3 | 0 | 114.1 | E1690 D1739 V1740 L1741 L1745 | E1690-K1743 IonicContact OE2-NZ 3.96Å; E1690-K1743 PolarHBondContact OE2-NZ 3.12Å; D1739-K1743 WeakPolarHBondContact O-CG 3.35Å; D1739-K1743 PolarHBondContact O-N 2.91Å; D1739-K1743 VanDerWaalsContact OD2-CE 3.25Å; D1739-K1743 WeakPolarHBondContact OD2-CE 3.12Å; D1739-K1743 IonicContact OD2-NZ 3.72Å; D1739-K1743 PolarHBondContact OD2-NZ 3.18Å; V1740-K1743 PolarHBondContact O-N 2.92Å; L1741-K1743 PolarHBondContact O-N 2.91Å; K1743-L1745 VanDerWaalsContact C-N 3.26Å; K1743-L1745 HydrophobicContact CB-CD1 4.32Å; K1743-L1745 HydrophobicContact CB-CG 4.18Å; K1743-L1745 PolarHBondContact O-N 2.72Å |
| 1744 | G | 82.8 | Confident | 83.1 | Confident | 48 Ų | 48 | 31.9 Ų | 31.9 | 50% | 0.495 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 8.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1740 L1741 S1742 T1746 | V1740-G1744 PolarHBondContact O-N 2.87Å; L1741-G1744 PolarHBondContact O-N 3.09Å; S1742-G1744 VanDerWaalsContact C-N 3.32Å; G1744-T1746 PolarHBondContact O-N 2.81Å |
| 1745 | L | 83.9 | Confident | 82 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 19% | 0.194 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -72.7 | -16 | 178.1 | -61 | 174.2 | 0 | 0 | 0 | 112.4 | E1690 L1693 L1697 Y1704 V1740 K1743 | E1690-L1745 HydrophobicContact CG-CD1 4.06Å; L1693-L1745 HydrophobicContact CD2-CB 3.48Å; L1693-L1745 VanDerWaalsContact CD2-CB 3.48Å; L1693-L1745 HydrophobicContact CD2-CD1 4.47Å; L1693-L1745 HydrophobicContact CG-CB 4.33Å; L1697-L1745 HydrophobicContact CD1-CB 4.43Å; Y1704-L1745 WeakPolarHBondContact CA-O 3.44Å; V1740-L1745 HydrophobicContact CB-CB 4.43Å; V1740-L1745 HydrophobicContact CB-CD1 4.39Å; V1740-L1745 HydrophobicContact CG1-CD1 4.3Å; V1740-L1745 PolarHBondContact O-N 3.43Å; V1740-L1745 VanDerWaalsContact O-N 3.13Å; K1743-L1745 VanDerWaalsContact C-N 3.26Å; K1743-L1745 HydrophobicContact CB-CD1 4.32Å; K1743-L1745 HydrophobicContact CB-CG 4.18Å; K1743-L1745 PolarHBondContact O-N 2.72Å |
| 1746 | T | 88 | Confident | 80.9 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 148.6 | 172.8 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | L1693 V1705 L1707 V1740 L1741 G1744 S1748 I1749 | L1693-T1746 HydrophobicContact CD2-CG2 4.35Å; V1705-T1746 WeakPolarHBondContact O-CA 3.18Å; V1705-T1746 WeakPolarHBondContact O-CB 3.49Å; V1705-T1746 PolarHBondContact O-OG1 2.96Å; L1707-T1746 HydrophobicContact CB-CG2 4.42Å; L1707-T1746 PolarHBondContact N-OG1 3.37Å; V1740-T1746 HydrophobicContact CG2-CG2 4.03Å; L1741-T1746 HydrophobicContact CB-CG2 4.04Å; L1741-T1746 HydrophobicContact CD1-CG2 4.18Å; L1741-T1746 WeakPolarHBondContact CD1-O 3.27Å; G1744-T1746 PolarHBondContact O-N 2.81Å; T1746-S1748 PolarHBondContact OG1-N 2.81Å; T1746-S1748 PolarHBondContact OG1-O 3.43Å; T1746-S1748 VanDerWaalsContact OG1-O 3.05Å; T1746-I1749 HydrophobicContact CG2-CG2 3.9Å |
| 1747 | R | 81.4 | Confident | 80 | Confident | 91 Ų | 91 | 38.6 Ų | 38.6 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -32.2 | 174.4 | -61 | -169.1 | -164.8 | 159.9 | 3.7 | 112.8 | Y1704 V1705 L1741 | Y1704-R1747 HydrophobicContact CD2-CG 3.72Å; Y1704-R1747 HydrophobicContact CE2-CG 4.03Å; Y1704-R1747 HydrophobicContact CG-CG 4.29Å; Y1704-R1747 PolarHBondContact OH-NH2 2.75Å; V1705-R1747 PolarHBondContact O-N 3.46Å; L1741-R1747 WeakPolarHBondContact CD1-O 3.06Å |
| 1748 | S | 83.1 | Confident | 79.2 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 16% | 0.161 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 146.8 | -174 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | D1706 L1707 T1746 | D1706-S1748 WeakPolarHBondContact OD1-CB 3.28Å; D1706-S1748 PolarHBondContact OD1-N 3.44Å; D1706-S1748 PolarHBondContact OD1-OG 3.09Å; L1707-S1748 PolarHBondContact N-O 3.02Å; T1746-S1748 PolarHBondContact OG1-N 2.81Å; T1746-S1748 PolarHBondContact OG1-O 3.43Å; T1746-S1748 VanDerWaalsContact OG1-O 3.05Å |
| 1749 | I | 88.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 141.1 | 179.3 | 62.3 | 177.2 | 0 | 0 | 0 | 110 | L1707 W1734 M1737 E1738 L1741 T1746 V1768 P1770 H1771 | L1707-I1749 CarbonylContact O-C 3.52Å; L1707-I1749 VanDerWaalsContact O-CA 3.29Å; L1707-I1749 WeakPolarHBondContact O-CA 3.41Å; W1734-I1749 HydrophobicContact CH2-CB 4.06Å; W1734-I1749 HydrophobicContact CH2-CD1 3.9Å; W1734-I1749 HydrophobicContact CH2-CG1 3.69Å; W1734-I1749 HydrophobicContact CZ2-CB 4.48Å; W1734-I1749 HydrophobicContact CZ2-CD1 3.44Å; W1734-I1749 VanDerWaalsContact CZ2-CD1 3.44Å; W1734-I1749 HydrophobicContact CZ2-CG1 3.65Å; M1737-I1749 HydrophobicContact CB-CB 4.25Å; M1737-I1749 HydrophobicContact CB-CD1 4.1Å; M1737-I1749 HydrophobicContact CB-CG2 3.95Å; M1737-I1749 HydrophobicContact CE-CB 3.98Å; M1737-I1749 HydrophobicContact CE-CG2 4.3Å; E1738-I1749 HydrophobicContact CG-CD1 3.9Å; L1741-I1749 HydrophobicContact CB-CG2 4.08Å; L1741-I1749 HydrophobicContact CD1-CG2 4.46Å; L1741-I1749 HydrophobicContact CD2-CD1 3.97Å; L1741-I1749 HydrophobicContact CD2-CG1 4.07Å; L1741-I1749 HydrophobicContact CD2-CG2 4.42Å; T1746-I1749 HydrophobicContact CG2-CG2 3.9Å; I1749-V1768 HydrophobicContact CD1-CB 4.4Å; I1749-P1770 CarbonylContact O-C 3.58Å; I1749-P1770 WeakPolarHBondContact O-CA 2.88Å; I1749-H1771 PolarHBondContact O-N 3.34Å |
| 1750 | G | 83.9 | Confident | 77.9 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 170.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1707 F1708 L1709 N1772 | L1707-G1750 PolarHBondContact O-N 2.92Å; F1708-G1750 WeakPolarHBondContact CA-O 3.36Å; L1709-G1750 PolarHBondContact N-O 3.4Å; G1750-N1772 CarbonylContact C-O 3.59Å; G1750-N1772 WeakPolarHBondContact CA-O 3.33Å |
| 1751 | L | 82.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.9 | 177.5 | -63.7 | 175 | 0 | 0 | 0 | 110.8 | L1709 W1734 F1754 I1759 V1762 P1770 N1772 L1773 Q1774 | L1709-L1751 HydrophobicContact CB-CD2 4.07Å; L1709-L1751 HydrophobicContact CD2-CD2 4.04Å; W1734-L1751 HydrophobicContact CE3-CD2 3.67Å; W1734-L1751 HydrophobicContact CH2-CD2 4.44Å; W1734-L1751 HydrophobicContact CH2-CG 4.48Å; W1734-L1751 HydrophobicContact CZ3-CD2 3.49Å; W1734-L1751 VanDerWaalsContact CZ3-CD2 3.49Å; W1734-L1751 HydrophobicContact CZ3-CG 3.94Å; L1751-F1754 HydrophobicContact CB-CB 4.5Å; L1751-F1754 HydrophobicContact CB-CD2 4.49Å; L1751-F1754 HydrophobicContact CB-CG 4.32Å; L1751-F1754 HydrophobicContact CD1-CD1 4.15Å; L1751-F1754 HydrophobicContact CD1-CG 4.47Å; L1751-F1754 HydrophobicContact CD2-CD1 3.92Å; L1751-F1754 HydrophobicContact CD2-CD2 4.42Å; L1751-F1754 HydrophobicContact CD2-CE1 3.82Å; L1751-F1754 HydrophobicContact CD2-CE2 4.32Å; L1751-F1754 HydrophobicContact CD2-CG 4.26Å; L1751-F1754 HydrophobicContact CD2-CZ 4.04Å; L1751-F1754 HydrophobicContact CG-CD1 4.48Å; L1751-I1759 HydrophobicContact CD1-CG1 4.21Å; L1751-V1762 HydrophobicContact CD1-CB 4.05Å; L1751-V1762 HydrophobicContact CD1-CG1 4.08Å; L1751-V1762 HydrophobicContact CD1-CG2 4.14Å; L1751-V1762 HydrophobicContact CD2-CG1 4.39Å; L1751-V1762 HydrophobicContact CD2-CG2 4.23Å; L1751-P1770 HydrophobicContact CD1-CB 4.45Å; L1751-P1770 HydrophobicContact CD1-CG 4.12Å; L1751-P1770 HydrophobicContact CG-CB 4.16Å; L1751-P1770 HydrophobicContact CG-CG 4.36Å; L1751-N1772 PolarHBondContact N-O 2.64Å; L1751-L1773 HydrophobicContact CB-CD2 3.78Å; L1751-L1773 HydrophobicContact CB-CG 4.31Å; L1751-L1773 HydrophobicContact CD1-CD2 4.32Å; L1751-L1773 WeakPolarHBondContact O-CA 3.28Å; L1751-Q1774 PolarHBondContact O-N 3.18Å |
| 1752 | S | 71.4 | Confident | 76.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 127.4 | 177.2 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | L1709 F1754 Q1774 | L1709-S1752 PolarHBondContact O-N 3.47Å; S1752-F1754 WeakPolarHBondContact O-CD2 3.23Å; S1752-F1754 PolarHBondContact O-N 3Å; S1752-Q1774 WeakPolarHBondContact CA-O 2.77Å; S1752-Q1774 PolarHBondContact OG-OE1 3.39Å |
| 1753 | N | 62.3 | Low | 76.2 | Confident | 49 Ų | 49 | 39.8 Ų | 39.8 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 63.3 | 31.4 | -178.5 | -54 | -28.2 | 0 | 0 | 0 | 115.3 | Q1774 | N1753-Q1774 PolarHBondContact N-O 2.91Š|
| 1754 | F | 69.8 | Low | 76 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 2% | 0.022 | 23% | 0.231 | C | C | . | . | trans | -92 | 141 | 172.2 | -82 | -132.7 | 0 | 0 | 0 | 110.7 | L1709 V1724 Y1730 L1751 S1752 Q1758 I1759 V1762 | L1709-F1754 HydrophobicContact CB-CE2 4.45Å; L1709-F1754 HydrophobicContact CD2-CE1 4.27Å; L1709-F1754 HydrophobicContact CD2-CE2 4.23Å; L1709-F1754 HydrophobicContact CD2-CZ 3.54Å; L1709-F1754 HydrophobicContact CG-CE2 3.95Å; L1709-F1754 HydrophobicContact CG-CZ 3.76Å; V1724-F1754 HydrophobicContact CG2-CD2 4.24Å; V1724-F1754 HydrophobicContact CG2-CE2 3.83Å; V1724-F1754 HydrophobicContact CG2-CZ 4.04Å; Y1730-F1754 AromaticContact CD2-CE1 3.84Å; Y1730-F1754 HydrophobicContact CD2-CE1 3.84Å; Y1730-F1754 HydrophobicContact CE2-CE1 4.39Å; Y1730-F1754 AromaticContact CG-CE1 3.94Å; Y1730-F1754 HydrophobicContact CG-CE1 3.94Å; Y1730-F1754 HydrophobicContact CG-CZ 4.26Å; L1751-F1754 HydrophobicContact CB-CB 4.5Å; L1751-F1754 HydrophobicContact CB-CD2 4.49Å; L1751-F1754 HydrophobicContact CB-CG 4.32Å; L1751-F1754 HydrophobicContact CD1-CD1 4.15Å; L1751-F1754 HydrophobicContact CD1-CG 4.47Å; L1751-F1754 HydrophobicContact CD2-CD1 3.92Å; L1751-F1754 HydrophobicContact CD2-CD2 4.42Å; L1751-F1754 HydrophobicContact CD2-CE1 3.82Å; L1751-F1754 HydrophobicContact CD2-CE2 4.32Å; L1751-F1754 HydrophobicContact CD2-CG 4.26Å; L1751-F1754 HydrophobicContact CD2-CZ 4.04Å; L1751-F1754 HydrophobicContact CG-CD1 4.48Å; S1752-F1754 WeakPolarHBondContact O-CD2 3.23Å; S1752-F1754 PolarHBondContact O-N 3Å; F1754-Q1758 HydrophobicContact CB-CB 4.28Å; F1754-Q1758 HydrophobicContact CD1-CB 3.72Å; F1754-Q1758 HydrophobicContact CE1-CB 4.46Å; F1754-Q1758 HydrophobicContact CG-CB 4.35Å; F1754-I1759 HydrophobicContact CB-CD1 4.42Å; F1754-I1759 HydrophobicContact CB-CG1 3.74Å; F1754-I1759 WeakPolarHBondContact O-CD1 3.26Å; F1754-V1762 HydrophobicContact CD1-CG2 4.26Å; F1754-V1762 HydrophobicContact CE1-CG2 3.99Å | ||
| 1755 | N | 63.6 | Low | 75.7 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 23% | 0.225 | 23% | 0.226 | C | C | . | . | trans | -81.4 | 164.8 | 172 | 65.6 | 50.4 | 0 | 0 | 0 | 112.3 | S1757 Q1758 I1759 | N1755-S1757 PolarHBondContact O-N 3.25Å; N1755-S1757 VanDerWaalsContact O-N 3.15Å; N1755-S1757 PolarHBondContact OD1-N 3.25Å; N1755-S1757 PolarHBondContact OD1-OG 3.33Å; N1755-Q1758 VanDerWaalsContact CG-CD 3.42Å; N1755-Q1758 VanDerWaalsContact CG-OE1 3.24Å; N1755-Q1758 VanDerWaalsContact N-OE1 3.16Å; N1755-Q1758 PolarHBondContact ND2-NE2 2.86Å; N1755-Q1758 VanDerWaalsContact ND2-NE2 3.13Å; N1755-Q1758 PolarHBondContact ND2-OE1 3.15Å; N1755-Q1758 VanDerWaalsContact ND2-OE1 3.11Å; N1755-Q1758 PolarHBondContact O-N 3.46Å; N1755-Q1758 WeakPolarHBondContact OD1-CG 3.48Å; N1755-Q1758 PolarHBondContact OD1-N 3.01Å; N1755-Q1758 PolarHBondContact OD1-OE1 3.39Å; N1755-I1759 WeakPolarHBondContact O-CG1 3.45Å; N1755-I1759 PolarHBondContact O-N 3.04Å | ||
| 1756 | I | 62.9 | Low | 75.3 | Confident | 145 Ų | 145 | 41.2 Ų | 41.2 | 74% | 0.744 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -54.8 | -38.2 | -175.4 | -63.9 | 174.9 | 0 | 0 | 0 | 112.3 | Q1758 A1760 | I1756-Q1758 VanDerWaalsContact C-N 3.32Å; I1756-Q1758 PolarHBondContact O-N 3.38Å; I1756-A1760 VanDerWaalsContact O-CB 3.31Å; I1756-A1760 WeakPolarHBondContact O-CB 3.41Å; I1756-A1760 PolarHBondContact O-N 3.47Å |
| 1757 | S | 65.2 | Low | 75.1 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.8 | -19.7 | 177.6 | 28.8 | 0 | 0 | 0 | 0 | 114.8 | N1755 R1761 | N1755-S1757 PolarHBondContact O-N 3.25Å; N1755-S1757 VanDerWaalsContact O-N 3.15Å; N1755-S1757 PolarHBondContact OD1-N 3.25Å; N1755-S1757 PolarHBondContact OD1-OG 3.33Å; S1757-R1761 PolarHBondContact O-NE 3.31Å |
| 1758 | Q | 72.2 | Confident | 75 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -90.7 | -41.5 | 172.7 | -70.6 | 154.8 | -5 | 0 | 0 | 110.8 | V1724 Y1730 F1754 N1755 I1756 A1760 R1761 V1762 | V1724-Q1758 PolarHBondContact O-NE2 2.71Å; Y1730-Q1758 HydrophobicContact CE1-CG 4.38Å; F1754-Q1758 HydrophobicContact CB-CB 4.28Å; F1754-Q1758 HydrophobicContact CD1-CB 3.72Å; F1754-Q1758 HydrophobicContact CE1-CB 4.46Å; F1754-Q1758 HydrophobicContact CG-CB 4.35Å; N1755-Q1758 VanDerWaalsContact CG-CD 3.42Å; N1755-Q1758 VanDerWaalsContact CG-OE1 3.24Å; N1755-Q1758 VanDerWaalsContact N-OE1 3.16Å; N1755-Q1758 PolarHBondContact ND2-NE2 2.86Å; N1755-Q1758 VanDerWaalsContact ND2-NE2 3.13Å; N1755-Q1758 PolarHBondContact ND2-OE1 3.15Å; N1755-Q1758 VanDerWaalsContact ND2-OE1 3.11Å; N1755-Q1758 PolarHBondContact O-N 3.46Å; N1755-Q1758 WeakPolarHBondContact OD1-CG 3.48Å; N1755-Q1758 PolarHBondContact OD1-N 3.01Å; N1755-Q1758 PolarHBondContact OD1-OE1 3.39Å; I1756-Q1758 VanDerWaalsContact C-N 3.32Å; I1756-Q1758 PolarHBondContact O-N 3.38Å; Q1758-A1760 VanDerWaalsContact C-N 3.26Å; Q1758-A1760 PolarHBondContact O-N 3.27Å; Q1758-R1761 PolarHBondContact O-N 3.33Å; Q1758-R1761 VanDerWaalsContact O-N 3.13Å; Q1758-V1762 WeakPolarHBondContact O-CG2 3.13Å; Q1758-V1762 PolarHBondContact O-N 3.13Å |
| 1759 | I | 72.2 | Confident | 74.8 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.7 | -44.1 | 171.2 | -63.1 | 167.4 | 0 | 0 | 0 | 110 | L1751 F1754 N1755 V1762 L1763 L1773 V1775 | L1751-I1759 HydrophobicContact CD1-CG1 4.21Å; F1754-I1759 HydrophobicContact CB-CD1 4.42Å; F1754-I1759 HydrophobicContact CB-CG1 3.74Å; F1754-I1759 WeakPolarHBondContact O-CD1 3.26Å; N1755-I1759 WeakPolarHBondContact O-CG1 3.45Å; N1755-I1759 PolarHBondContact O-N 3.04Å; I1759-V1762 PolarHBondContact O-N 2.9Å; I1759-L1763 HydrophobicContact CG2-CD1 3.76Å; I1759-L1763 HydrophobicContact CG2-CG 4.37Å; I1759-L1763 WeakPolarHBondContact O-CB 3.29Å; I1759-L1763 VanDerWaalsContact O-CG 3.26Å; I1759-L1763 WeakPolarHBondContact O-CG 3.32Å; I1759-L1763 PolarHBondContact O-N 3.43Å; I1759-L1773 HydrophobicContact CD1-CD2 3.65Å; I1759-L1773 HydrophobicContact CG1-CD2 3.92Å; I1759-L1773 HydrophobicContact CG2-CD1 4.08Å; I1759-L1773 HydrophobicContact CG2-CD2 4.4Å; I1759-V1775 HydrophobicContact CD1-CG2 4.24Å |
| 1760 | A | 75 | Confident | 74.2 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.8 | -50.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1756 Q1758 V1762 L1763 D1764 | I1756-A1760 VanDerWaalsContact O-CB 3.31Å; I1756-A1760 WeakPolarHBondContact O-CB 3.41Å; I1756-A1760 PolarHBondContact O-N 3.47Å; Q1758-A1760 VanDerWaalsContact C-N 3.26Å; Q1758-A1760 PolarHBondContact O-N 3.27Å; A1760-V1762 VanDerWaalsContact C-N 3.31Å; A1760-V1762 PolarHBondContact O-N 2.93Å; A1760-L1763 PolarHBondContact O-N 2.93Å; A1760-L1763 VanDerWaalsContact O-N 3.1Å; A1760-D1764 WeakPolarHBondContact O-CB 2.87Å; A1760-D1764 VanDerWaalsContact O-CG 3.31Å; A1760-D1764 PolarHBondContact O-N 3.47Å |
| 1761 | R | 76 | Confident | 73.7 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 178.3 | -90 | 178.1 | -77.5 | 162.6 | -6.9 | 113.5 | D1726 Y1730 S1757 Q1758 S1765 | D1726-R1761 IonicContact OD1-CZ 3.25Å; D1726-R1761 IonicContact OD1-NH1 2.59Å; D1726-R1761 PolarHBondContact OD1-NH1 3.18Å; D1726-R1761 IonicContact OD1-NH2 3.97Å; D1726-R1761 PolarHBondContact OD1-NH2 2.85Å; D1726-R1761 IonicContact OD2-NH1 3.79Å; D1726-R1761 IonicContact OD2-NH2 2.86Å; D1726-R1761 PolarHBondContact OD2-NH2 3.34Å; Y1730-R1761 HydrophobicContact CE2-CB 4.32Å; Y1730-R1761 WeakPolarHBondContact OH-CB 3.46Å; Y1730-R1761 WeakPolarHBondContact OH-CD 3.49Å; Y1730-R1761 PolarHBondContact OH-NE 3.42Å; Y1730-R1761 PolarHBondContact OH-NH1 2.8Å; S1757-R1761 PolarHBondContact O-NE 3.31Å; Q1758-R1761 PolarHBondContact O-N 3.33Å; Q1758-R1761 VanDerWaalsContact O-N 3.13Å; R1761-S1765 WeakPolarHBondContact O-CB 3.41Å; R1761-S1765 PolarHBondContact O-N 3.03Å; R1761-S1765 PolarHBondContact O-OG 3.06Å |
| 1762 | V | 73.9 | Confident | 72.9 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.5 | -51.4 | 171 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | Y1730 L1731 W1734 L1751 F1754 Q1758 I1759 A1760 D1764 S1765 C1766 | Y1730-V1762 HydrophobicContact CD2-CG2 3.71Å; Y1730-V1762 HydrophobicContact CE2-CG2 3.72Å; L1731-V1762 HydrophobicContact CD2-CG2 4.14Å; W1734-V1762 HydrophobicContact CD2-CG1 3.79Å; W1734-V1762 HydrophobicContact CE3-CG1 4.17Å; W1734-V1762 HydrophobicContact CG-CG1 4.07Å; L1751-V1762 HydrophobicContact CD1-CB 4.05Å; L1751-V1762 HydrophobicContact CD1-CG1 4.08Å; L1751-V1762 HydrophobicContact CD1-CG2 4.14Å; L1751-V1762 HydrophobicContact CD2-CG1 4.39Å; L1751-V1762 HydrophobicContact CD2-CG2 4.23Å; F1754-V1762 HydrophobicContact CD1-CG2 4.26Å; F1754-V1762 HydrophobicContact CE1-CG2 3.99Å; Q1758-V1762 WeakPolarHBondContact O-CG2 3.13Å; Q1758-V1762 PolarHBondContact O-N 3.13Å; I1759-V1762 PolarHBondContact O-N 2.9Å; A1760-V1762 VanDerWaalsContact C-N 3.31Å; A1760-V1762 PolarHBondContact O-N 2.93Å; V1762-D1764 VanDerWaalsContact C-N 3.27Å; V1762-D1764 PolarHBondContact O-N 3.43Å; V1762-S1765 CarbonylContact O-C 3.46Å; V1762-S1765 PolarHBondContact O-N 3.29Å; V1762-C1766 HydrophobicContact CG1-CB 4.35Å; V1762-C1766 VanDerWaalsContact O-CB 3.23Å; V1762-C1766 WeakPolarHBondContact O-CB 3.46Å; V1762-C1766 PolarHBondContact O-N 3.4Å; V1762-C1766 PolarHBondContact O-SG 3Å; V1762-C1766 VanDerWaalsContact O-SG 3.32Å |
| 1763 | L | 76.8 | Confident | 72.4 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.6 | -30.3 | -178.2 | -75.1 | 170 | 0 | 0 | 0 | 114.4 | I1759 A1760 K1769 P1770 | I1759-L1763 HydrophobicContact CG2-CD1 3.76Å; I1759-L1763 HydrophobicContact CG2-CG 4.37Å; I1759-L1763 WeakPolarHBondContact O-CB 3.29Å; I1759-L1763 VanDerWaalsContact O-CG 3.26Å; I1759-L1763 WeakPolarHBondContact O-CG 3.32Å; I1759-L1763 PolarHBondContact O-N 3.43Å; A1760-L1763 PolarHBondContact O-N 2.93Å; A1760-L1763 VanDerWaalsContact O-N 3.1Å; L1763-K1769 HydrophobicContact CD2-CB 4.3Å; L1763-K1769 HydrophobicContact CD2-CD 4.2Å; L1763-K1769 HydrophobicContact CD2-CG 4.1Å; L1763-P1770 HydrophobicContact CD2-CG 4.07Å |
| 1764 | D | 80.3 | Confident | 72.2 | Confident | 140 Ų | 140 | 64.2 Ų | 64.2 | 75% | 0.749 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -80 | -18.2 | 175.6 | -69.1 | -25.9 | 0 | 0 | 0 | 112.7 | A1760 V1762 | A1760-D1764 WeakPolarHBondContact O-CB 2.87Å; A1760-D1764 VanDerWaalsContact O-CG 3.31Å; A1760-D1764 PolarHBondContact O-N 3.47Å; V1762-D1764 VanDerWaalsContact C-N 3.27Å; V1762-D1764 PolarHBondContact O-N 3.43Å |
| 1765 | S | 77.5 | Confident | 71.3 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -117.6 | -11.2 | -171.7 | -52.5 | 0 | 0 | 0 | 0 | 115.1 | R1761 V1762 | R1761-S1765 WeakPolarHBondContact O-CB 3.41Å; R1761-S1765 PolarHBondContact O-N 3.03Å; R1761-S1765 PolarHBondContact O-OG 3.06Å; V1762-S1765 CarbonylContact O-C 3.46Å; V1762-S1765 PolarHBondContact O-N 3.29Å |
| 1766 | C | 76 | Confident | 70.3 | Confident | 25 Ų | 25 | 72 Ų | 72 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | trans | -81.9 | 144.8 | -175.3 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | W1734 V1762 V1768 | W1734-C1766 VanDerWaalsContact NE1-CB 3.31Å; V1762-C1766 HydrophobicContact CG1-CB 4.35Å; V1762-C1766 VanDerWaalsContact O-CB 3.23Å; V1762-C1766 WeakPolarHBondContact O-CB 3.46Å; V1762-C1766 PolarHBondContact O-N 3.4Å; V1762-C1766 PolarHBondContact O-SG 3Å; V1762-C1766 VanDerWaalsContact O-SG 3.32Å; C1766-V1768 WeakPolarHBondContact CB-O 3.34Å | ||
| 1767 | T | 83 | Confident | 68.9 | Low | 123 Ų | 123 | 73.8 Ų | 73.8 | 76% | 0.755 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -82.6 | -33.4 | 168.4 | -20.8 | 0 | 0 | 0 | 0 | 111.1 | E1738 | E1738-T1767 WeakPolarHBondContact OE1-CA 3.15Å; E1738-T1767 PolarHBondContact OE1-N 3.1Å; E1738-T1767 VanDerWaalsContact OE2-CB 3.28Å; E1738-T1767 WeakPolarHBondContact OE2-CB 3.35Å; E1738-T1767 PolarHBondContact OE2-OG1 3.29Å |
| 1768 | V | 79.2 | Confident | 67.3 | Low | 49 Ų | 49 | 74.3 Ų | 74.3 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -123 | 125.7 | 172.9 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | W1734 E1738 L1741 I1749 C1766 | W1734-V1768 WeakPolarHBondContact CZ2-O 3.08Å; W1734-V1768 PolarHBondContact NE1-O 2.59Å; E1738-V1768 HydrophobicContact CG-CB 4.09Å; E1738-V1768 HydrophobicContact CG-CG2 4.17Å; E1738-V1768 PolarHBondContact OE1-N 3.04Å; L1741-V1768 HydrophobicContact CD2-CB 4.39Å; L1741-V1768 HydrophobicContact CD2-CG1 3.83Å; L1741-V1768 HydrophobicContact CD2-CG2 4.41Å; I1749-V1768 HydrophobicContact CD1-CB 4.4Å; C1766-V1768 WeakPolarHBondContact CB-O 3.34Å |
| 1769 | K | 78.7 | Confident | 65.1 | Low | 139 Ų | 139 | 83 Ų | 83 | 60% | 0.604 | 43% | 0.427 | S | S | * | . | trans | -71.5 | 149 | -179.6 | -68 | -177.3 | 177.2 | -177 | 0 | 111.3 | L1763 H1771 | L1763-K1769 HydrophobicContact CD2-CB 4.3Å; L1763-K1769 HydrophobicContact CD2-CD 4.2Å; L1763-K1769 HydrophobicContact CD2-CG 4.1Å; K1769-H1771 PolarHBondContact O-N 3.19Å; K1769-H1771 VanDerWaalsContact O-N 3.16Å | ||
| 1770 | P | 77 | Confident | 62.9 | Low | 18 Ų | 18 | 88.7 Ų | 88.7 | 12% | 0.117 | 46% | 0.457 | C | S | . | . | trans | -56.4 | 120.8 | 170.2 | 21.8 | -32.4 | 0 | 0 | 0 | 110.6 | W1734 I1749 L1751 L1763 N1772 L1773 | W1734-P1770 HydrophobicContact CH2-CB 3.61Å; W1734-P1770 HydrophobicContact CH2-CG 4.39Å; W1734-P1770 HydrophobicContact CZ2-CB 4.08Å; W1734-P1770 HydrophobicContact CZ3-CB 4.47Å; I1749-P1770 CarbonylContact O-C 3.58Å; I1749-P1770 WeakPolarHBondContact O-CA 2.88Å; L1751-P1770 HydrophobicContact CD1-CB 4.45Å; L1751-P1770 HydrophobicContact CD1-CG 4.12Å; L1751-P1770 HydrophobicContact CG-CB 4.16Å; L1751-P1770 HydrophobicContact CG-CG 4.36Å; L1763-P1770 HydrophobicContact CD2-CG 4.07Å; P1770-N1772 VanDerWaalsContact C-N 3.26Å; P1770-L1773 HydrophobicContact CG-CD1 4.4Å | ||
| 1771 | H | 72.1 | Confident | 60.6 | Low | 131 Ų | 131 | 91.1 Ų | 91.1 | 61% | 0.606 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -73 | -21.6 | 173.8 | -81.1 | 136.6 | 0 | 0 | 0 | 112.1 | I1749 K1769 | I1749-H1771 PolarHBondContact O-N 3.34Å; K1769-H1771 PolarHBondContact O-N 3.19Å; K1769-H1771 VanDerWaalsContact O-N 3.16Å |
| 1772 | N | 64.8 | Low | 58.2 | Low | 81 Ų | 81 | 96.4 Ų | 96.4 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.4 | -177.4 | -148.1 | -13.7 | 0 | 0 | 0 | 111.7 | F1708 G1750 L1751 P1770 | F1708-N1772 HydrophobicContact CE1-CB 3.96Å; F1708-N1772 HydrophobicContact CZ-CB 3.86Å; G1750-N1772 CarbonylContact C-O 3.59Å; G1750-N1772 WeakPolarHBondContact CA-O 3.33Å; L1751-N1772 PolarHBondContact N-O 2.64Å; P1770-N1772 VanDerWaalsContact C-N 3.26Å |
| 1773 | L | 62.6 | Low | 55.9 | Low | 71 Ų | 71 | 105.6 Ų | 105.6 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 109.3 | -167.9 | -111.3 | 162.8 | 0 | 0 | 0 | 111.6 | L1751 I1759 P1770 V1775 | L1751-L1773 HydrophobicContact CB-CD2 3.78Å; L1751-L1773 HydrophobicContact CB-CG 4.31Å; L1751-L1773 HydrophobicContact CD1-CD2 4.32Å; L1751-L1773 WeakPolarHBondContact O-CA 3.28Å; I1759-L1773 HydrophobicContact CD1-CD2 3.65Å; I1759-L1773 HydrophobicContact CG1-CD2 3.92Å; I1759-L1773 HydrophobicContact CG2-CD1 4.08Å; I1759-L1773 HydrophobicContact CG2-CD2 4.4Å; P1770-L1773 HydrophobicContact CG-CD1 4.4Å; L1773-V1775 HydrophobicContact CD2-CG2 3.98Å |
| 1774 | Q | 58.5 | Low | 53.4 | Low | 42 Ų | 42 | 111.1 Ų | 111.1 | 20% | 0.196 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 117.4 | 178.1 | -175.4 | 173.8 | 33.3 | 0 | 0 | 110.1 | K1678 F1708 L1751 S1752 N1753 | K1678-Q1774 VanDerWaalsContact CE-OE1 3.22Å; F1708-Q1774 HydrophobicContact CE1-CB 4.38Å; L1751-Q1774 PolarHBondContact O-N 3.18Å; S1752-Q1774 WeakPolarHBondContact CA-O 2.77Å; S1752-Q1774 PolarHBondContact OG-OE1 3.39Å; N1753-Q1774 PolarHBondContact N-O 2.91Å |
| 1775 | V | 50.5 | Low | 50.7 | Low | 76 Ų | 76 | 106.9 Ų | 106.9 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | trans | -136 | 140.8 | -172.1 | -163.4 | 0 | 0 | 0 | 0 | 110.1 | I1759 L1773 | I1759-V1775 HydrophobicContact CD1-CG2 4.24Å; L1773-V1775 HydrophobicContact CD2-CG2 3.98Å | ||
| 1776 | Q | 42.1 | Very low | 48.2 | Very low | 134 Ų | 134 | 107.8 Ų | 107.8 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | trans | -69.6 | 150.4 | 174.1 | -80.4 | -163.4 | -8.9 | 0 | 0 | 112.7 | ||||
| 1777 | F | 33.2 | Very low | 45.6 | Very low | 182 Ų | 182 | 110.9 Ų | 110.9 | 80% | 0.798 | 56% | 0.562 | S | S | * | * | trans | -102.7 | -1.5 | -157.6 | -140.3 | -95.7 | 0 | 0 | 0 | 116 | H1779 | F1777-H1779 PolarHBondContact O-N 3.15Š| ||
| 1778 | D | 32.4 | Very low | 42.8 | Very low | 81 Ų | 81 | 109.7 Ų | 109.7 | 43% | 0.433 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.4 | -23.4 | -163.2 | -169.3 | 34.3 | 0 | 0 | 0 | 115 | L1780 F1781 R1782 | D1778-L1780 VanDerWaalsContact C-N 3.32Å; D1778-L1780 PolarHBondContact O-N 3.31Å; D1778-F1781 PolarHBondContact O-N 3.06Å; D1778-R1782 IonicContact OD1-NE 3.05Å; D1778-R1782 PolarHBondContact OD1-NE 2.74Å; D1778-R1782 IonicContact OD2-CZ 3.75Å; D1778-R1782 IonicContact OD2-NE 2.8Å; D1778-R1782 PolarHBondContact OD2-NE 2.96Å; D1778-R1782 IonicContact OD2-NH2 3.84Å; D1778-R1782 PolarHBondContact OD2-NH2 3.21Å |
| 1779 | H | 26.5 | Very low | 40.1 | Very low | 183 Ų | 183 | 111 Ų | 111 | 85% | 0.847 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.3 | -19.4 | -169.7 | -157.5 | 76.3 | 0 | 0 | 0 | 115.3 | F1777 | F1777-H1779 PolarHBondContact O-N 3.15Å |
| 1780 | L | 25.4 | Very low | 37.4 | Very low | 143 Ų | 143 | 109.3 Ų | 109.3 | 75% | 0.749 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -93.4 | -31.3 | 177.6 | -117.9 | 73.2 | 0 | 0 | 0 | 113.6 | D1778 | D1778-L1780 VanDerWaalsContact C-N 3.32Å; D1778-L1780 PolarHBondContact O-N 3.31Å |
| 1781 | F | 25.7 | Very low | 34.7 | Very low | 90 Ų | 90 | 111 Ų | 111 | 40% | 0.395 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -78.9 | -34.9 | -165.6 | -156 | -106.5 | 0 | 0 | 0 | 113.6 | D1778 K1783 F1784 C1785 | D1778-F1781 PolarHBondContact O-N 3.06Å; F1781-K1783 PolarHBondContact O-N 2.95Å; F1781-F1784 PolarHBondContact O-N 3.11Å; F1781-C1785 WeakPolarHBondContact CE1-SG 2.87Å; F1781-C1785 VanDerWaalsContact CZ-SG 3.56Å |
| 1782 | R | 27 | Very low | 32.3 | Very low | 193 Ų | 193 | 115.8 Ų | 115.8 | 73% | 0.728 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -15.3 | 178.1 | -61.9 | -168 | -173.8 | -152.4 | 8.7 | 114.3 | D1778 | D1778-R1782 IonicContact OD1-NE 3.05Å; D1778-R1782 PolarHBondContact OD1-NE 2.74Å; D1778-R1782 IonicContact OD2-CZ 3.75Å; D1778-R1782 IonicContact OD2-NE 2.8Å; D1778-R1782 PolarHBondContact OD2-NE 2.96Å; D1778-R1782 IonicContact OD2-NH2 3.84Å; D1778-R1782 PolarHBondContact OD2-NH2 3.21Å |
| 1783 | K | 24.7 | Very low | 30.2 | Very low | 194 Ų | 194 | 117.9 Ų | 117.9 | 84% | 0.843 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -15.1 | 177.8 | -119.2 | 174.6 | -174.2 | 169.2 | 0 | 115.4 | F1781 | F1781-K1783 PolarHBondContact O-N 2.95Š|
| 1784 | F | 24.1 | Very low | 28.2 | Very low | 183 Ų | 183 | 121.6 Ų | 121.6 | 80% | 0.803 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -28.6 | -175.7 | -118.5 | -83.3 | 0 | 0 | 0 | 114.3 | F1781 | F1781-F1784 PolarHBondContact O-N 3.11Š|
| 1785 | C | 24.4 | Very low | 26.3 | Very low | 51 Ų | 51 | 123.6 Ų | 123.6 | 35% | 0.345 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -94.1 | 0.5 | -176.4 | -64 | 0 | 0 | 0 | 0 | 114.9 | R1606 F1781 S1787 | R1606-C1785 PolarHBondContact O-SG 2.9Å; F1781-C1785 WeakPolarHBondContact CE1-SG 2.87Å; F1781-C1785 VanDerWaalsContact CZ-SG 3.56Å; C1785-S1787 PolarHBondContact O-N 3.5Å |
| 1786 | G | 23.6 | Very low | 24.8 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 0.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1787 | S | 22.3 | Very low | 23.7 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.6 | 63.1 | 174.8 | 69.8 | 0 | 0 | 0 | 0 | 114 | C1785 | C1785-S1787 PolarHBondContact O-N 3.5Š|
| 1788 | M | 23.6 | Very low | 23 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 48% | 0.478 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -166 | 59.1 | 140.7 | -110.1 | 173.3 | -63 | 0 | 0 | 111.9 | R1606 | R1606-M1788 PolarHBondContact NH1-SD 3.37Š|
| 1789 | N | 23.3 | Very low | 22.3 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 42% | 0.417 | 65% | 0.649 | S | S | . | * | trans | -114.9 | 17.2 | 151.2 | -140.8 | -2.5 | 0 | 0 | 0 | 112.2 | D1603 C1791 | D1603-N1789 PolarHBondContact OD1-ND2 2.81Å; D1603-N1789 PolarHBondContact OD2-ND2 3.06Å; D1603-N1789 VanDerWaalsContact OD2-ND2 3.13Å; N1789-C1791 PolarHBondContact O-N 2.97Å | ||
| 1790 | S | 21.6 | Very low | 21.9 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | trans | -85.2 | 55.7 | 156.7 | 53.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1791 | C | 21.1 | Very low | 21.7 | Very low | 54 Ų | 54 | 118.3 Ų | 118.3 | 37% | 0.365 | 63% | 0.628 | S | S | . | * | trans | -123.7 | 47.1 | 171.6 | -80.3 | 0 | 0 | 0 | 0 | 111.1 | N1789 | N1789-C1791 PolarHBondContact O-N 2.97Š| ||
| 1792 | R | 22.1 | Very low | 21.4 | Very low | 232 Ų | 232 | 120.5 Ų | 120.5 | 88% | 0.875 | 64% | 0.643 | S | S | * | * | trans | -111.8 | 110.4 | 145.1 | -67.9 | -173.2 | 178.1 | -166.5 | 0.2 | 106.2 | ||||
| 1793 | L | 20.6 | Very low | 21.2 | Very low | 124 Ų | 124 | 115.7 Ų | 115.7 | 65% | 0.649 | 64% | 0.639 | S | S | * | * | 58 | 59 | 81.3 | -77.4 | 102.5 | 0 | 0 | 0 | 113.5 | V1795 | L1793-V1795 HydrophobicContact CB-CG2 4.32Å; L1793-V1795 HydrophobicContact CD2-CG2 4Å; L1793-V1795 HydrophobicContact CG-CG2 4.24Å | |||
| 1794 | N | 19.5 | Very low | 21.1 | Very low | 150 Ų | 150 | 114.4 Ų | 114.4 | 80% | 0.802 | 63% | 0.634 | S | S | * | * | -100.4 | 131.5 | 113.3 | -67.3 | -29.3 | 0 | 0 | 0 | 105.7 | |||||
| 1795 | V | 18.8 | Very low | 21.1 | Very low | 84 Ų | 84 | 109.3 Ų | 109.3 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | cis | 57.8 | 52.7 | 10.1 | -164.6 | 0 | 0 | 0 | 0 | 112.3 | L1793 F1797 | L1793-V1795 HydrophobicContact CB-CG2 4.32Å; L1793-V1795 HydrophobicContact CD2-CG2 4Å; L1793-V1795 HydrophobicContact CG-CG2 4.24Å; V1795-F1797 VanDerWaalsContact C-N 3.35Å; V1795-F1797 HydrophobicContact CG1-CD2 3.49Å; V1795-F1797 VanDerWaalsContact CG1-CD2 3.49Å; V1795-F1797 HydrophobicContact CG1-CE2 4.1Å; V1795-F1797 HydrophobicContact CG1-CG 4.4Å; V1795-F1797 PolarHBondContact O-N 3.22Å | ||
| 1796 | I | 18.8 | Very low | 21 | Very low | 161 Ų | 161 | 112.8 Ų | 112.8 | 83% | 0.826 | 63% | 0.633 | S | S | * | * | -65.4 | 108.2 | 129.6 | -68.3 | 175.5 | 0 | 0 | 0 | 105.7 | |||||
| 1797 | F | 18.9 | Very low | 21 | Very low | 132 Ų | 132 | 112.4 Ų | 112.4 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | trans | -74.8 | 135.6 | 163.5 | -119 | -82.7 | 0 | 0 | 0 | 107.5 | V1795 G1799 | V1795-F1797 VanDerWaalsContact C-N 3.35Å; V1795-F1797 HydrophobicContact CG1-CD2 3.49Å; V1795-F1797 VanDerWaalsContact CG1-CD2 3.49Å; V1795-F1797 HydrophobicContact CG1-CE2 4.1Å; V1795-F1797 HydrophobicContact CG1-CG 4.4Å; V1795-F1797 PolarHBondContact O-N 3.22Å; F1797-G1799 VanDerWaalsContact C-N 3.25Å; F1797-G1799 PolarHBondContact O-N 3.02Å | ||
| 1798 | I | 17.9 | Very low | 21 | Very low | 151 Ų | 151 | 110.7 Ų | 110.7 | 77% | 0.774 | 61% | 0.61 | S | S | * | * | trans | -70.9 | 98.4 | 146.4 | -71 | -177.9 | 0 | 0 | 0 | 106.2 | K1563 L1800 | K1563-I1798 PolarHBondContact NZ-O 3.34Å; K1563-I1798 VanDerWaalsContact NZ-O 3.11Å; I1798-L1800 PolarHBondContact O-N 3.3Å | ||
| 1799 | G | 18.3 | Very low | 20.9 | Very low | 52 Ų | 52 | 112.2 Ų | 112.2 | 54% | 0.536 | 61% | 0.614 | S | S | . | * | trans | -55.7 | 134.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | F1797 | F1797-G1799 VanDerWaalsContact C-N 3.25Å; F1797-G1799 PolarHBondContact O-N 3.02Å | ||
| 1800 | L | 19.2 | Very low | 20.9 | Very low | 108 Ų | 108 | 114.4 Ų | 114.4 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | trans | -153 | 52 | 163.2 | -142.4 | 177.7 | 0 | 0 | 0 | 107.1 | K1563 I1798 | K1563-L1800 HydrophobicContact CD-CB 4.05Å; K1563-L1800 WeakPolarHBondContact CD-O 3.35Å; I1798-L1800 PolarHBondContact O-N 3.3Å | ||
| 1801 | S | 19.4 | Very low | 21.1 | Very low | 83 Ų | 83 | 116 Ų | 116 | 58% | 0.58 | 63% | 0.625 | S | S | * | * | trans | -77.3 | 123.6 | -178.3 | -50.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1802 | L | 20.6 | Very low | 21.5 | Very low | 136 Ų | 136 | 115.7 Ų | 115.7 | 71% | 0.712 | 62% | 0.619 | S | S | * | * | trans | -143.2 | 132.5 | 162.5 | -100.4 | 174.6 | 0 | 0 | 0 | 108.8 | ||||
| 1803 | S | 22.5 | Very low | 21.4 | Very low | 92 Ų | 92 | 112 Ų | 112 | 64% | 0.643 | 61% | 0.606 | S | S | * | * | trans | -144.6 | 113.4 | -165.5 | -59.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1804 | F | 22.4 | Very low | 21.3 | Very low | 168 Ų | 168 | 110.6 Ų | 110.6 | 74% | 0.737 | 60% | 0.596 | S | S | * | * | trans | -165.7 | 139.7 | 169.9 | -69.1 | -56.8 | 0 | 0 | 0 | 106.2 | Q1510 | Q1510-F1804 PolarHBondContact NE2-O 3.38Å; Q1510-F1804 PolarHBondContact OE1-O 3.07Å | ||
| 1805 | T | 23.8 | Very low | 21.5 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | cis | -162.2 | 156.2 | -15.4 | 41.4 | 0 | 0 | 0 | 0 | 110.4 | Q1510 | Q1510-T1805 WeakPolarHBondContact CG-O 2.75Å; Q1510-T1805 VanDerWaalsContact NE2-N 3.13Å; Q1510-T1805 PolarHBondContact OE1-O 3.12Å; Q1510-T1805 VanDerWaalsContact OE1-O 3.11Å | ||
| 1806 | N | 23.1 | Very low | 21.6 | Very low | 123 Ų | 123 | 103 Ų | 103 | 66% | 0.658 | 55% | 0.552 | S | S | * | * | trans | 71.7 | 112.3 | 147 | -62.6 | -11 | 0 | 0 | 0 | 123.9 | ||||
| 1807 | S | 23.9 | Very low | 21.7 | Very low | 68 Ų | 68 | 95.8 Ų | 95.8 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | 90.1 | 103 | 118.8 | 73.9 | 0 | 0 | 0 | 0 | 123.2 | K1509 | K1509-S1807 WeakPolarHBondContact CD-O 3.47Å; K1509-S1807 PolarHBondContact NZ-O 3.27Å | |||
| 1808 | A | 21.5 | Very low | 21.8 | Very low | 54 Ų | 54 | 89.5 Ų | 89.5 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | 73.6 | 105.7 | 125.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | K1509 | K1509-A1808 WeakPolarHBondContact CD-O 3.48Å; K1509-A1808 VanDerWaalsContact CE-O 3.25Å; K1509-A1808 WeakPolarHBondContact CE-O 3.42Å; K1509-A1808 PolarHBondContact NZ-O 2.7Å | |||
| 1809 | K | 22.7 | Very low | 22 | Very low | 129 Ų | 129 | 82.3 Ų | 82.3 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | trans | 18 | 118.5 | 134 | -71.7 | -176.1 | 164.6 | -171.1 | 0 | 118.4 | N1504 | N1504-K1809 HydrophobicContact CB-CG 3.81Š| ||
| 1810 | D | 22.6 | Very low | 22 | Very low | 124 Ų | 124 | 79.9 Ų | 79.9 | 66% | 0.663 | 43% | 0.425 | S | S | * | . | 173.6 | 173.2 | 109 | -89 | -21.8 | 0 | 0 | 0 | 110.8 | |||||
| 1811 | I | 25.9 | Very low | 22.1 | Very low | 135 Ų | 135 | 74.7 Ų | 74.7 | 69% | 0.692 | 40% | 0.398 | S | S | * | . | trans | 65.3 | 57.3 | -171.4 | -43 | 179 | 0 | 0 | 0 | 112.7 | Y1813 | I1811-Y1813 PolarHBondContact O-N 2.66Š| ||
| 1812 | I | 28.6 | Very low | 22.1 | Very low | 48 Ų | 48 | 70.9 Ų | 70.9 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | trans | -86.6 | 68.9 | 139.3 | -48 | 163.3 | 0 | 0 | 0 | 107.2 | P1482 L1503 N1504 | P1482-I1812 HydrophobicContact CG-CD1 4.44Å; P1482-I1812 HydrophobicContact CG-CG2 4.13Å; L1503-I1812 HydrophobicContact CB-CD1 3.8Å; L1503-I1812 HydrophobicContact CD2-CB 4.14Å; L1503-I1812 HydrophobicContact CD2-CD1 3.57Å; L1503-I1812 HydrophobicContact CD2-CG1 3.59Å; L1503-I1812 HydrophobicContact CD2-CG2 3.45Å; L1503-I1812 VanDerWaalsContact CD2-CG2 3.45Å; L1503-I1812 HydrophobicContact CG-CD1 3.48Å; L1503-I1812 VanDerWaalsContact CG-CD1 3.48Å; L1503-I1812 HydrophobicContact CG-CG1 3.65Å; L1503-I1812 HydrophobicContact CG-CG2 4.46Å; N1504-I1812 VanDerWaalsContact ND2-CD1 3.29Å; N1504-I1812 WeakPolarHBondContact ND2-CD1 3.32Å | ||
| 1813 | Y | 19.5 | Very low | 22.2 | Very low | 155 Ų | 155 | 68.2 Ų | 68.2 | 61% | 0.608 | 36% | 0.357 | S | S | * | . | trans | -148.6 | 124.7 | 177.6 | -142.5 | -120 | 0 | 0 | 0 | 109.7 | H1545 I1811 | H1545-Y1813 VanDerWaalsContact CE1-C 3.44Å; H1545-Y1813 PolarHBondContact NE2-O 3.08Å; I1811-Y1813 PolarHBondContact O-N 2.66Å | ||
| 1814 | H | 19.2 | Very low | 22.1 | Very low | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | trans | 66.9 | 96.6 | 158 | -74.7 | 3.6 | 0 | 0 | 0 | 112.2 | N1542 S1544 H1545 | N1542-H1814 VanDerWaalsContact CG-CA 3.49Å; N1542-H1814 PolarHBondContact ND2-CE1 2.64Å; N1542-H1814 PolarHBondContact ND2-ND1 3.19Å; N1542-H1814 PolarHBondContact ND2-NE2 2.81Å; N1542-H1814 WeakPolarHBondContact OD1-CA 3.03Å; N1542-H1814 PolarHBondContact OD1-CE1 2.85Å; N1542-H1814 PolarHBondContact OD1-N 2.86Å; S1544-H1814 PolarHBondContact OG-O 3.11Å; H1545-H1814 PolarHBondContact CE1-N 2.6Å; H1545-H1814 VanDerWaalsContact CE1-N 3.31Å | ||
| 1815 | L | 23.4 | Very low | 22.1 | Very low | 65 Ų | 65 | 59.7 Ų | 59.7 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | -171.8 | 175.7 | 71.4 | -74 | -174.1 | 0 | 0 | 0 | 108.2 | S1540 N1542 P1543 S1544 H1545 | S1540-L1815 PolarHBondContact OG-O 2.86Å; N1542-L1815 VanDerWaalsContact CA-CA 3.5Å; N1542-L1815 VanDerWaalsContact CB-O 3.32Å; N1542-L1815 WeakPolarHBondContact CB-O 3.49Å; N1542-L1815 VanDerWaalsContact CG-CA 3.4Å; N1542-L1815 WeakPolarHBondContact O-CD2 3.25Å; N1542-L1815 VanDerWaalsContact OD1-CA 3.23Å; N1542-L1815 WeakPolarHBondContact OD1-CA 3.43Å; N1542-L1815 PolarHBondContact OD1-N 2.93Å; N1542-L1815 PolarHBondContact OD1-O 2.82Å; P1543-L1815 VanDerWaalsContact CA-C 3.43Å; P1543-L1815 HydrophobicContact CB-CB 3.99Å; P1543-L1815 HydrophobicContact CB-CD1 4.24Å; S1544-L1815 WeakPolarHBondContact OG-CB 3.23Å; H1545-L1815 WeakPolarHBondContact CA-O 3.3Å; H1545-L1815 WeakPolarHBondContact CB-O 3.47Å; H1545-L1815 PolarHBondContact N-O 3.33Å; H1545-L1815 PolarHBondContact ND1-N 3.37Å; H1545-L1815 PolarHBondContact ND1-O 3.13Å | |||
| 1816 | L | 21.2 | Very low | 21.9 | Very low | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | trans | -35.9 | 166.4 | -153.2 | -66.1 | 162.5 | 0 | 0 | 0 | 121 | K1302 S1540 T1541 N1542 P1543 S1544 I1546 | K1302-L1816 HydrophobicContact CB-CD1 3.9Å; K1302-L1816 HydrophobicContact CG-CD1 4.49Å; S1540-L1816 WeakPolarHBondContact CB-O 3.16Å; S1540-L1816 PolarHBondContact OG-O 3.29Å; T1541-L1816 WeakPolarHBondContact O-CD2 3.43Å; N1542-L1816 VanDerWaalsContact CB-CA 3.49Å; P1543-L1816 HydrophobicContact CB-CD1 4.09Å; P1543-L1816 HydrophobicContact CB-CG 4.15Å; P1543-L1816 HydrophobicContact CG-CD1 3.92Å; P1543-L1816 HydrophobicContact CG-CG 3.97Å; P1543-L1816 PolarHBondContact O-N 2.91Å; S1544-L1816 VanDerWaalsContact N-N 3.15Å; I1546-L1816 VanDerWaalsContact CB-O 3.27Å; I1546-L1816 WeakPolarHBondContact CB-O 3.42Å; I1546-L1816 PolarHBondContact N-O 2.85Å | ||
| 1817 | R | 20.3 | Very low | 21.7 | Very low | 8 Ų | 8 | 63.9 Ų | 63.9 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | cis | 74.5 | 138.4 | 33 | -127.4 | -175.1 | -151.5 | 148.5 | -29.2 | 113.7 | Y1286 A1291 Q1292 A1295 L1296 G1299 S1540 T1541 I1546 | Y1286-R1817 HydrophobicContact CE1-CG 4.19Å; Y1286-R1817 HydrophobicContact CE2-CG 4.37Å; Y1286-R1817 WeakPolarHBondContact OH-CG 3.37Å; A1291-R1817 VanDerWaalsContact CB-NH2 3.32Å; Q1292-R1817 PolarHBondContact O-NH2 2.94Å; A1295-R1817 WeakPolarHBondContact O-CD 3.36Å; A1295-R1817 PolarHBondContact O-NE 3.46Å; A1295-R1817 PolarHBondContact O-NH1 2.83Å; L1296-R1817 VanDerWaalsContact CA-CZ 3.41Å; L1296-R1817 VanDerWaalsContact CA-NH2 3.29Å; L1296-R1817 VanDerWaalsContact N-NH2 3.1Å; G1299-R1817 VanDerWaalsContact CA-CD 3.48Å; G1299-R1817 VanDerWaalsContact O-CB 3.22Å; G1299-R1817 WeakPolarHBondContact O-CB 3.43Å; G1299-R1817 WeakPolarHBondContact O-CD 3.45Å; G1299-R1817 WeakPolarHBondContact O-CG 3.5Å; S1540-R1817 WeakPolarHBondContact O-CA 3.29Å; S1540-R1817 WeakPolarHBondContact O-CB 3.43Å; S1540-R1817 WeakPolarHBondContact O-CG 3.32Å; S1540-R1817 PolarHBondContact O-N 2.97Å; T1541-R1817 WeakPolarHBondContact O-CD 3.45Å; T1541-R1817 PolarHBondContact O-NH1 2.8Å; I1546-R1817 WeakPolarHBondContact CD1-O 3.33Å | ||
| 1818 | S | 21.9 | Very low | 21.5 | Very low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | 149.9 | 96.8 | 135.9 | -73.4 | 0 | 0 | 0 | 0 | 124.8 | S1298 G1299 L1300 K1302 A1303 L1304 I1546 | S1298-S1818 PolarHBondContact O-OG 3.35Å; G1299-S1818 WeakPolarHBondContact CA-OG 3.32Å; G1299-S1818 WeakPolarHBondContact O-CA 3.31Å; G1299-S1818 PolarHBondContact O-N 2.71Å; G1299-S1818 PolarHBondContact O-OG 2.78Å; G1299-S1818 VanDerWaalsContact O-OG 3.1Å; L1300-S1818 PolarHBondContact N-OG 2.69Å; L1300-S1818 CarbonylContact O-C 3.53Å; L1300-S1818 VanDerWaalsContact O-CA 3.31Å; L1300-S1818 WeakPolarHBondContact O-CA 3.33Å; L1300-S1818 WeakPolarHBondContact O-CB 3.21Å; L1300-S1818 VanDerWaalsContact O-O 3.09Å; K1302-S1818 WeakPolarHBondContact CB-OG 3.43Å; K1302-S1818 PolarHBondContact N-OG 3.44Å; K1302-S1818 VanDerWaalsContact N-OG 3.1Å; A1303-S1818 CarbonylContact C-O 3.49Å; A1303-S1818 VanDerWaalsContact C-O 3.22Å; A1303-S1818 WeakPolarHBondContact CA-O 3.36Å; A1303-S1818 VanDerWaalsContact CB-C 3.49Å; A1303-S1818 WeakPolarHBondContact CB-O 3.43Å; A1303-S1818 PolarHBondContact N-O 3.19Å; L1304-S1818 PolarHBondContact N-O 3.42Å; I1546-S1818 VanDerWaalsContact CD1-N 3.32Å | ||
| 1819 | N | 21.3 | Very low | 21.5 | Very low | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | trans | 59.1 | -179.7 | 165.2 | -82.1 | -12.3 | 0 | 0 | 0 | 116.5 | L1300 L1304 F1308 V1326 | L1300-N1819 VanDerWaalsContact C-ND2 3.34Å; L1300-N1819 HydrophobicContact CB-CB 4.42Å; L1300-N1819 WeakPolarHBondContact CB-OD1 3.48Å; L1300-N1819 WeakPolarHBondContact CD2-OD1 3.41Å; L1300-N1819 HydrophobicContact CG-CB 4.28Å; L1300-N1819 WeakPolarHBondContact CG-OD1 2.93Å; L1300-N1819 WeakPolarHBondContact O-CA 3.32Å; L1300-N1819 WeakPolarHBondContact O-CB 3.33Å; L1300-N1819 PolarHBondContact O-N 2.75Å; L1300-N1819 PolarHBondContact O-ND2 3.1Å; L1300-N1819 PolarHBondContact O-OD1 3.23Å; L1304-N1819 HydrophobicContact CB-CB 4.41Å; L1304-N1819 HydrophobicContact CD1-CB 3.24Å; L1304-N1819 WeakPolarHBondContact CD1-ND2 3.22Å; L1304-N1819 HydrophobicContact CD2-CB 4.3Å; L1304-N1819 HydrophobicContact CG-CB 3.35Å; F1308-N1819 WeakPolarHBondContact CB-O 3.28Å; V1326-N1819 VanDerWaalsContact CG1-ND2 3.29Å; V1326-N1819 WeakPolarHBondContact CG1-ND2 3.34Å | ||
| 1820 | M | 19.8 | Very low | 21.4 | Very low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | cis | -170.6 | 158.1 | -40 | -96.2 | 166.6 | 25.6 | 0 | 0 | 109.2 | L1304 R1309 I1311 V1326 L1327 W1330 F1331 | L1304-M1820 HydrophobicContact CD1-CB 4.13Å; L1304-M1820 HydrophobicContact CD1-CE 4.02Å; L1304-M1820 HydrophobicContact CD1-SD 4.45Å; L1304-M1820 HydrophobicContact CD2-CB 3.85Å; L1304-M1820 WeakPolarHBondContact CD2-O 3.4Å; L1304-M1820 HydrophobicContact CG-CB 4.14Å; R1309-M1820 WeakPolarHBondContact CD-O 3.44Å; I1311-M1820 HydrophobicContact CD1-CB 4.08Å; I1311-M1820 HydrophobicContact CD1-CG 3.5Å; V1326-M1820 HydrophobicContact CB-SD 4.43Å; V1326-M1820 VanDerWaalsContact O-SD 3.39Å; L1327-M1820 VanDerWaalsContact CA-CE 3.48Å; L1327-M1820 WeakPolarHBondContact CA-SD 3.28Å; L1327-M1820 HydrophobicContact CB-CE 4.43Å; L1327-M1820 HydrophobicContact CB-SD 4.03Å; L1327-M1820 HydrophobicContact CD2-CB 4.42Å; L1327-M1820 HydrophobicContact CD2-CE 3.87Å; L1327-M1820 HydrophobicContact CD2-CG 3.63Å; L1327-M1820 HydrophobicContact CD2-SD 3.57Å; L1327-M1820 VanDerWaalsContact CD2-SD 3.57Å; L1327-M1820 HydrophobicContact CG-CE 4.38Å; L1327-M1820 HydrophobicContact CG-CG 4.09Å; L1327-M1820 HydrophobicContact CG-SD 3.65Å; L1327-M1820 PolarHBondContact N-SD 3.2Å; W1330-M1820 HydrophobicContact CB-CE 3.43Å; W1330-M1820 VanDerWaalsContact CB-CE 3.43Å; W1330-M1820 HydrophobicContact CD2-CE 4.3Å; W1330-M1820 HydrophobicContact CE3-CE 4.11Å; W1330-M1820 HydrophobicContact CG-CE 4.09Å; F1331-M1820 HydrophobicContact CD1-CE 4.47Å; F1331-M1820 HydrophobicContact CE1-CE 3.34Å; F1331-M1820 HydrophobicContact CZ-CE 3.6Å | ||
| 1821 | S | 20.4 | Very low | 21.3 | Very low | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | 17.2 | 108.5 | 108.3 | -3.6 | 0 | 0 | 0 | 0 | 119.3 | L1327 W1330 V1341 V1343 | L1327-S1821 WeakPolarHBondContact CD2-OG 3.3Å; W1330-S1821 WeakPolarHBondContact CZ3-O 3.44Å; V1341-S1821 VanDerWaalsContact CB-CA 3.47Å; V1341-S1821 VanDerWaalsContact CG2-CA 3.45Å; V1343-S1821 WeakPolarHBondContact CG2-OG 3.5Å | |||
| 1822 | H | 20.3 | Very low | 21.2 | Very low | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.009 | 36% | 0.357 | C | S | . | . | 169.8 | 149.7 | 70 | -83 | 164.2 | 0 | 0 | 0 | 121.4 | F1331 G1336 K1337 R1338 E1339 V1341 | F1331-H1822 HydrophobicContact CD1-CB 3.99Å; F1331-H1822 AromaticContact CD1-ND1 3.54Å; F1331-H1822 AromaticContact CD2-ND1 4Å; F1331-H1822 HydrophobicContact CE1-CB 3.75Å; F1331-H1822 AromaticContact CE1-CE1 3.83Å; F1331-H1822 AromaticContact CE1-CG 3.57Å; F1331-H1822 AromaticContact CE1-ND1 2.87Å; F1331-H1822 WeakPolarHBondContact CE1-ND1 3.04Å; F1331-H1822 AromaticContact CE2-CE1 3.67Å; F1331-H1822 AromaticContact CE2-ND1 3.35Å; F1331-H1822 WeakPolarHBondContact CE2-ND1 3.43Å; F1331-H1822 AromaticContact CZ-CE1 3.28Å; F1331-H1822 WeakPolarHBondContact CZ-CE1 3.09Å; F1331-H1822 AromaticContact CZ-CG 3.87Å; F1331-H1822 AromaticContact CZ-ND1 2.77Å; F1331-H1822 WeakPolarHBondContact CZ-ND1 3.3Å; G1336-H1822 WeakPolarHBondContact CA-O 3.49Å; K1337-H1822 VanDerWaalsContact N-CB 3.34Å; K1337-H1822 PolarHBondContact N-O 3.37Å; K1337-H1822 WeakPolarHBondContact O-CB 3.28Å; K1337-H1822 PolarHBondContact O-ND1 3.01Å; R1338-H1822 VanDerWaalsContact CA-CD2 3.42Å; R1338-H1822 WeakPolarHBondContact CA-CD2 3.4Å; R1338-H1822 WeakPolarHBondContact CA-ND1 3.43Å; R1338-H1822 VanDerWaalsContact CD-NE2 3.33Å; R1338-H1822 WeakPolarHBondContact CD-NE2 3.48Å; R1338-H1822 PolarHBondContact NH1-CD2 3.23Å; R1338-H1822 VanDerWaalsContact NH1-CD2 3.26Å; R1338-H1822 PolarHBondContact NH1-NE2 3.26Å; R1338-H1822 CarbonylContact O-C 3.56Å; R1338-H1822 WeakPolarHBondContact O-CA 3.18Å; R1338-H1822 WeakPolarHBondContact O-CB 3.34Å; R1338-H1822 PolarHBondContact O-CD2 3.03Å; E1339-H1822 PolarHBondContact N-CD2 3.26Å; V1341-H1822 VanDerWaalsContact CG2-CD2 3.48Å; V1341-H1822 WeakPolarHBondContact CG2-CD2 3.19Å | |||
| 1823 | L | 22.3 | Very low | 21 | Very low | 81 Ų | 81 | 81.4 Ų | 81.4 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | trans | 116.7 | 53.2 | 179.3 | -154.5 | 64.7 | 0 | 0 | 0 | 126.7 | K1337 R1338 D1340 | K1337-L1823 HydrophobicContact CB-CD1 4.15Å; K1337-L1823 HydrophobicContact CD-CD1 4.08Å; K1337-L1823 HydrophobicContact CD-CD2 3.77Å; K1337-L1823 HydrophobicContact CD-CG 4.32Å; R1338-L1823 PolarHBondContact O-N 3.19Å; D1340-L1823 VanDerWaalsContact CA-C 3.5Å | ||
| 1824 | M | 20.4 | Very low | 21.2 | Very low | 57 Ų | 57 | 81.9 Ų | 81.9 | 28% | 0.281 | 39% | 0.392 | S | S | . | . | trans | -143.5 | 144 | 165.8 | 179.5 | -158.8 | 61.6 | 0 | 0 | 112.7 | L1279 P1280 E1339 D1340 | L1279-M1824 HydrophobicContact CD1-CE 4.44Å; P1280-M1824 HydrophobicContact CG-CE 3.85Å; P1280-M1824 HydrophobicContact CG-SD 3.52Å; P1280-M1824 VanDerWaalsContact CG-SD 3.52Å; E1339-M1824 VanDerWaalsContact C-N 3.27Å; E1339-M1824 CarbonylContact C-O 3.58Å; E1339-M1824 WeakPolarHBondContact CA-O 3.24Å; E1339-M1824 VanDerWaalsContact CB-C 3.47Å; E1339-M1824 VanDerWaalsContact CB-N 3.28Å; E1339-M1824 WeakPolarHBondContact CB-O 3.42Å; E1339-M1824 WeakPolarHBondContact CG-O 3.19Å; D1340-M1824 VanDerWaalsContact CA-CB 3.44Å; D1340-M1824 PolarHBondContact OD1-N 3.44Å | ||
| 1825 | T | 21.2 | Very low | 21.2 | Very low | 24 Ų | 24 | 86.2 Ų | 86.2 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | S | Bend | trans | 92.8 | 4.4 | -160.7 | -32 | 0 | 0 | 0 | 0 | 113.3 | R1423 | R1423-T1825 PolarHBondContact NH1-OG1 3.48Å; R1423-T1825 PolarHBondContact NH2-OG1 2.67Å |
| 1826 | H | 19.8 | Very low | 21.2 | Very low | 139 Ų | 139 | 88.8 Ų | 88.8 | 64% | 0.644 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -110.7 | 60.5 | 143.9 | -143.4 | 79.3 | 0 | 0 | 0 | 111.4 | ||
| 1827 | W | 19.3 | Very low | 21.5 | Very low | 147 Ų | 147 | 92.5 Ų | 92.5 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | S | Bend | -175.7 | 0.5 | 126.5 | -110.4 | 79.8 | 0 | 0 | 0 | 116.8 | N1829 R1830 | W1827-N1829 CarbonylContact O-C 3.59Å; W1827-R1830 HydrophobicContact CD2-CB 3.99Å; W1827-R1830 HydrophobicContact CE3-CB 3.49Å; W1827-R1830 VanDerWaalsContact CE3-CB 3.49Å; W1827-R1830 HydrophobicContact CE3-CG 4.42Å; W1827-R1830 HydrophobicContact CH2-CB 4.23Å; W1827-R1830 HydrophobicContact CH2-CG 4.35Å; W1827-R1830 HydrophobicContact CZ3-CB 3.64Å; W1827-R1830 HydrophobicContact CZ3-CG 4.23Å; W1827-R1830 PolarHBondContact O-N 2.95Å | |
| 1828 | L | 20.5 | Very low | 21.8 | Very low | 131 Ų | 131 | 100.2 Ų | 100.2 | 69% | 0.686 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -118.8 | 89.4 | 145.9 | -68.4 | 177.1 | 0 | 0 | 0 | 105.6 | L1831 | L1828-L1831 HydrophobicContact CD2-CB 4.28Š|
| 1829 | N | 20.5 | Very low | 22.1 | Very low | 132 Ų | 132 | 104.3 Ų | 104.3 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | S | Bend | cis | -79.1 | 104.8 | 36 | -66.5 | -36.1 | 0 | 0 | 0 | 118.7 | W1827 | W1827-N1829 CarbonylContact O-C 3.59Š|
| 1830 | R | 21.3 | Very low | 22.6 | Very low | 168 Ų | 168 | 106 Ų | 106 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -154 | 27.9 | 135.7 | -127.1 | -176.3 | -172.1 | -160.7 | 3 | 115.2 | W1827 | W1827-R1830 HydrophobicContact CD2-CB 3.99Å; W1827-R1830 HydrophobicContact CE3-CB 3.49Å; W1827-R1830 VanDerWaalsContact CE3-CB 3.49Å; W1827-R1830 HydrophobicContact CE3-CG 4.42Å; W1827-R1830 HydrophobicContact CH2-CB 4.23Å; W1827-R1830 HydrophobicContact CH2-CG 4.35Å; W1827-R1830 HydrophobicContact CZ3-CB 3.64Å; W1827-R1830 HydrophobicContact CZ3-CG 4.23Å; W1827-R1830 PolarHBondContact O-N 2.95Å |
| 1831 | L | 20.9 | Very low | 23.1 | Very low | 159 Ų | 159 | 111 Ų | 111 | 83% | 0.832 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -135.8 | 62.7 | 159.8 | -81.1 | -173.2 | 0 | 0 | 0 | 112.9 | L1828 | L1828-L1831 HydrophobicContact CD2-CB 4.28Š|
| 1832 | R | 23.9 | Very low | 23.8 | Very low | 228 Ų | 228 | 114 Ų | 114 | 86% | 0.86 | 54% | 0.536 | S | S | * | . | trans | -140.9 | 156.4 | 133 | -68.1 | -164 | -168.6 | -163.7 | 6.7 | 107.1 | ||||
| 1833 | P | 24.2 | Very low | 24.3 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | cis | -114.2 | 157.2 | -2.4 | 38.6 | -27.6 | 0 | 0 | 0 | 113.6 | ||||
| 1834 | N | 22.4 | Very low | 24.9 | Very low | 166 Ų | 166 | 115.9 Ų | 115.9 | 89% | 0.888 | 55% | 0.546 | S | S | * | . | trans | -151.3 | 88.9 | 155.6 | -112.1 | -10.6 | 0 | 0 | 0 | 107.7 | ||||
| 1835 | M | 21.1 | Very low | 25.6 | Very low | 185 Ų | 185 | 120.8 Ų | 120.8 | 91% | 0.911 | 57% | 0.568 | S | S | * | * | trans | 177.7 | 80.2 | 165.3 | -103.2 | -60.9 | -165.8 | 0 | 0 | 108 | ||||
| 1836 | E | 22.6 | Very low | 26.2 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 55% | 0.551 | 58% | 0.582 | S | S | * | * | trans | -92.6 | 111.5 | 175.9 | -73.1 | -165.4 | 159.2 | 0 | 0 | 112.1 | Q1838 F2104 | E1836-Q1838 PolarHBondContact O-N 2.98Å; E1836-F2104 VanDerWaalsContact OE2-CE2 3.3Å; E1836-F2104 WeakPolarHBondContact OE2-CE2 3.21Å | ||
| 1837 | N | 27 | Very low | 26.9 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | 39.7 | 53.5 | 128.4 | -158.4 | 0.5 | 0 | 0 | 0 | 118.4 | Y1839 L1840 | N1837-Y1839 PolarHBondContact O-N 2.95Å; N1837-L1840 WeakPolarHBondContact OD1-CB 3.33Å; N1837-L1840 PolarHBondContact OD1-N 3.42Å | |||
| 1838 | Q | 26.4 | Very low | 27.6 | Very low | 169 Ų | 169 | 118.3 Ų | 118.3 | 79% | 0.79 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -70.9 | -17.3 | 165.8 | -67.8 | -170.2 | -2.9 | 0 | 0 | 112.8 | E1836 R1841 W1842 | E1836-Q1838 PolarHBondContact O-N 2.98Å; Q1838-R1841 WeakPolarHBondContact O-CB 3.26Å; Q1838-R1841 PolarHBondContact O-N 3.49Å; Q1838-W1842 PolarHBondContact O-N 2.96Å |
| 1839 | Y | 29.7 | Very low | 28.5 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 34% | 0.337 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.7 | -37.3 | -173.6 | -156.8 | -71.2 | 0 | 0 | 0 | 113.6 | N1837 R1841 W1842 L1843 L2320 P2323 | N1837-Y1839 PolarHBondContact O-N 2.95Å; Y1839-R1841 PolarHBondContact O-N 2.89Å; Y1839-W1842 AromaticContact CD1-CE3 4Å; Y1839-W1842 HydrophobicContact CD1-CE3 4Å; Y1839-W1842 AromaticContact CE1-CE3 3.52Å; Y1839-W1842 HydrophobicContact CE1-CE3 3.52Å; Y1839-W1842 AromaticContact CE1-CZ3 3.78Å; Y1839-W1842 HydrophobicContact CE1-CZ3 3.78Å; Y1839-W1842 HydrophobicContact CE2-CE3 4.41Å; Y1839-W1842 AromaticContact CZ-CE3 3.76Å; Y1839-W1842 AromaticContact CZ-CZ3 3.96Å; Y1839-W1842 WeakPolarHBondContact O-CB 3.47Å; Y1839-W1842 PolarHBondContact O-N 3.43Å; Y1839-L1843 HydrophobicContact CD1-CD1 4.45Å; Y1839-L1843 HydrophobicContact CE1-CD1 4.17Å; Y1839-L1843 HydrophobicContact CE1-CG 4.13Å; Y1839-L1843 PolarHBondContact O-N 2.97Å; Y1839-L2320 HydrophobicContact CD1-CB 4.5Å; Y1839-L2320 HydrophobicContact CD1-CD1 3.48Å; Y1839-L2320 VanDerWaalsContact CD1-CD1 3.48Å; Y1839-L2320 HydrophobicContact CD1-CG 3.58Å; Y1839-L2320 HydrophobicContact CE1-CD1 4.25Å; Y1839-L2320 HydrophobicContact CE1-CG 4.09Å; Y1839-L2320 WeakPolarHBondContact CE1-O 3.3Å; Y1839-L2320 HydrophobicContact CG-CD1 4.2Å; Y1839-L2320 HydrophobicContact CG-CG 4.16Å; Y1839-L2320 PolarHBondContact OH-O 3.09Å; Y1839-P2323 WeakPolarHBondContact OH-CG 3.36Å |
| 1840 | L | 31.3 | Very low | 29.1 | Very low | 36 Ų | 36 | 112.5 Ų | 112.5 | 19% | 0.188 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -65.2 | -25.1 | 178.8 | -157.8 | 75.9 | 0 | 0 | 0 | 112.2 | N1837 L2320 | N1837-L1840 WeakPolarHBondContact OD1-CB 3.33Å; N1837-L1840 PolarHBondContact OD1-N 3.42Å; L1840-L2320 HydrophobicContact CB-CD1 4.3Å; L1840-L2320 HydrophobicContact CD1-CD1 3.69Å |
| 1841 | R | 29.2 | Very low | 29.6 | Very low | 105 Ų | 105 | 107.6 Ų | 107.6 | 40% | 0.396 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.6 | -35.4 | 169.7 | -78.3 | 172.8 | -179.2 | -151.3 | -1.7 | 112.7 | Q1838 Y1839 W2101 | Q1838-R1841 WeakPolarHBondContact O-CB 3.26Å; Q1838-R1841 PolarHBondContact O-N 3.49Å; Y1839-R1841 PolarHBondContact O-N 2.89Å; R1841-W2101 HydrophobicContact CB-CZ3 4.39Å; R1841-W2101 HydrophobicContact CG-CE3 4.25Å; R1841-W2101 HydrophobicContact CG-CH2 3.72Å; R1841-W2101 HydrophobicContact CG-CZ3 3.31Å |
| 1842 | W | 36.1 | Very low | 30 | Very low | 65 Ų | 65 | 103 Ų | 103 | 25% | 0.246 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -71.2 | -39.2 | -174.5 | 170.7 | 77.8 | 0 | 0 | 0 | 112.8 | Q1838 Y1839 P2323 F2325 | Q1838-W1842 PolarHBondContact O-N 2.96Å; Y1839-W1842 AromaticContact CD1-CE3 4Å; Y1839-W1842 HydrophobicContact CD1-CE3 4Å; Y1839-W1842 AromaticContact CE1-CE3 3.52Å; Y1839-W1842 HydrophobicContact CE1-CE3 3.52Å; Y1839-W1842 AromaticContact CE1-CZ3 3.78Å; Y1839-W1842 HydrophobicContact CE1-CZ3 3.78Å; Y1839-W1842 HydrophobicContact CE2-CE3 4.41Å; Y1839-W1842 AromaticContact CZ-CE3 3.76Å; Y1839-W1842 AromaticContact CZ-CZ3 3.96Å; Y1839-W1842 WeakPolarHBondContact O-CB 3.47Å; Y1839-W1842 PolarHBondContact O-N 3.43Å; W1842-P2323 HydrophobicContact CH2-CB 3.61Å; W1842-P2323 HydrophobicContact CZ3-CB 3.55Å; W1842-F2325 HydrophobicContact CD2-CZ 4.46Å; W1842-F2325 AromaticContact CE2-CE1 3.7Å; W1842-F2325 AromaticContact CE2-CZ 3.68Å; W1842-F2325 HydrophobicContact CH2-CD1 4.28Å; W1842-F2325 AromaticContact CH2-CE1 3.69Å; W1842-F2325 HydrophobicContact CH2-CE1 3.69Å; W1842-F2325 AromaticContact CH2-CE2 3.91Å; W1842-F2325 HydrophobicContact CH2-CE2 3.91Å; W1842-F2325 AromaticContact CH2-CZ 3.46Å; W1842-F2325 HydrophobicContact CH2-CZ 3.46Å; W1842-F2325 VanDerWaalsContact CH2-CZ 3.46Å; W1842-F2325 AromaticContact CZ2-CD1 3.85Å; W1842-F2325 HydrophobicContact CZ2-CD1 3.85Å; W1842-F2325 AromaticContact CZ2-CE1 3.05Å; W1842-F2325 HydrophobicContact CZ2-CE1 3.05Å; W1842-F2325 HydrophobicContact CZ2-CE2 4.09Å; W1842-F2325 AromaticContact CZ2-CZ 3.19Å; W1842-F2325 HydrophobicContact CZ2-CZ 3.19Å; W1842-F2325 HydrophobicContact CZ3-CE2 4.48Å; W1842-F2325 HydrophobicContact CZ3-CZ 4.15Å |
| 1843 | L | 30.6 | Very low | 29.9 | Very low | 7 Ų | 7 | 102.1 Ų | 102.1 | 4% | 0.037 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | -179.7 | -90.6 | 170.9 | 0 | 0 | 0 | 114.4 | Y1839 Q1845 R1846 I1848 L2320 P2323 | Y1839-L1843 HydrophobicContact CD1-CD1 4.45Å; Y1839-L1843 HydrophobicContact CE1-CD1 4.17Å; Y1839-L1843 HydrophobicContact CE1-CG 4.13Å; Y1839-L1843 PolarHBondContact O-N 2.97Å; L1843-Q1845 PolarHBondContact O-N 3.29Å; L1843-R1846 PolarHBondContact O-N 2.91Å; L1843-I1848 HydrophobicContact CD2-CD1 4.29Å; L1843-L2320 HydrophobicContact CD1-CD1 4.29Å; L1843-P2323 HydrophobicContact CD2-CB 4.4Å |
| 1844 | L | 35.4 | Very low | 29.9 | Very low | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -74.1 | -11.2 | -174.2 | -71.4 | 171.8 | 0 | 0 | 0 | 113.6 | R1846 I1850 | L1844-R1846 VanDerWaalsContact C-N 3.31Å; L1844-R1846 PolarHBondContact O-N 3.11Å; L1844-I1850 HydrophobicContact CD2-CD1 3.99Å |
| 1845 | Q | 33.8 | Very low | 30.1 | Very low | 161 Ų | 161 | 98.4 Ų | 98.4 | 75% | 0.752 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -87.2 | 8.9 | 177.8 | -70.8 | -171.6 | -27 | 0 | 0 | 114.1 | L1843 | L1843-Q1845 PolarHBondContact O-N 3.29Š|
| 1846 | R | 34.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 95 Ų | 95 | 44% | 0.442 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -133.4 | 37.3 | 178.8 | -68.9 | -166.9 | 171.8 | -121.7 | -1.1 | 114.4 | L1843 L1844 I1848 H2328 | L1843-R1846 PolarHBondContact O-N 2.91Å; L1844-R1846 VanDerWaalsContact C-N 3.31Å; L1844-R1846 PolarHBondContact O-N 3.11Å; R1846-I1848 VanDerWaalsContact C-N 3.32Å; R1846-I1848 PolarHBondContact O-N 3.47Å; R1846-I1848 VanDerWaalsContact O-N 3.11Å; R1846-H2328 PolarHBondContact O-CE1 2.74Å; R1846-H2328 PolarHBondContact O-ND1 2.78Å |
| 1847 | D | 35.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 92.7 Ų | 92.7 | 66% | 0.663 | 46% | 0.456 | S | S | * | . | trans | 49 | 44.3 | 164.1 | -59.3 | -40.3 | 0 | 0 | 0 | 115.8 | ||||
| 1848 | I | 32.5 | Very low | 30 | Very low | 16 Ų | 16 | 92.5 Ų | 92.5 | 8% | 0.082 | 46% | 0.462 | C | S | . | . | trans | -93.3 | 119.7 | 173.1 | -68 | 166.5 | 0 | 0 | 0 | 107.9 | L1843 R1846 I1850 C2318 F2338 A2340 | L1843-I1848 HydrophobicContact CD2-CD1 4.29Å; R1846-I1848 VanDerWaalsContact C-N 3.32Å; R1846-I1848 PolarHBondContact O-N 3.47Å; R1846-I1848 VanDerWaalsContact O-N 3.11Å; I1848-I1850 HydrophobicContact CG2-CD1 4.42Å; I1848-I1850 HydrophobicContact CG2-CG1 4.06Å; I1848-I1850 WeakPolarHBondContact O-CD1 3.33Å; I1848-I1850 VanDerWaalsContact O-CG1 3.28Å; I1848-I1850 WeakPolarHBondContact O-CG1 3.42Å; I1848-C2318 HydrophobicContact CG2-CB 4.45Å; I1848-F2338 HydrophobicContact CD1-CE1 4.3Å; I1848-F2338 HydrophobicContact CG1-CD1 4.01Å; I1848-F2338 HydrophobicContact CG1-CE1 3.87Å; I1848-F2338 HydrophobicContact CG2-CD1 4.27Å; I1848-F2338 HydrophobicContact CG2-CE1 4Å; I1848-A2340 HydrophobicContact CG2-CB 3.3Å | ||
| 1849 | I | 39.5 | Very low | 29.8 | Very low | 100 Ų | 100 | 91 Ų | 91 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137.7 | 177.1 | -61.1 | 171.9 | 0 | 0 | 0 | 109 | T2339 A2340 | I1849-T2339 HydrophobicContact CB-CG2 4.46Å; I1849-T2339 HydrophobicContact CG2-CG2 4.25Å; I1849-A2340 CarbonylContact O-C 3.59Å; I1849-A2340 VanDerWaalsContact O-CA 3.28Å; I1849-A2340 WeakPolarHBondContact O-CA 3.41Å; I1849-A2340 VanDerWaalsContact O-CB 3.25Å; I1849-A2340 WeakPolarHBondContact O-CB 3.25Å; I1849-A2340 PolarHBondContact O-N 3.11Å; I1849-A2340 VanDerWaalsContact O-O 3.07Å |
| 1850 | I | 34.5 | Very low | 29.4 | Very low | 42 Ų | 42 | 87.6 Ų | 87.6 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 108.4 | -156.5 | -81.4 | 172.5 | 0 | 0 | 0 | 115 | L1844 I1848 R2128 A2340 P2343 | L1844-I1850 HydrophobicContact CD2-CD1 3.99Å; I1848-I1850 HydrophobicContact CG2-CD1 4.42Å; I1848-I1850 HydrophobicContact CG2-CG1 4.06Å; I1848-I1850 WeakPolarHBondContact O-CD1 3.33Å; I1848-I1850 VanDerWaalsContact O-CG1 3.28Å; I1848-I1850 WeakPolarHBondContact O-CG1 3.42Å; I1850-R2128 PolarHBondContact O-NH2 2.87Å; I1850-A2340 WeakPolarHBondContact CA-O 3.39Å; I1850-P2343 HydrophobicContact CB-CB 4Å; I1850-P2343 HydrophobicContact CB-CG 3.69Å; I1850-P2343 HydrophobicContact CD1-CB 3.96Å; I1850-P2343 HydrophobicContact CD1-CG 4.49Å; I1850-P2343 HydrophobicContact CG1-CB 3.54Å; I1850-P2343 HydrophobicContact CG1-CG 3.54Å; I1850-P2343 HydrophobicContact CG2-CB 3.61Å; I1850-P2343 HydrophobicContact CG2-CG 3.56Å |
| 1851 | I | 31.5 | Very low | 29 | Very low | 65 Ų | 65 | 88.3 Ų | 88.3 | 33% | 0.333 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.7 | -173.8 | -52.1 | 171.6 | 0 | 0 | 0 | 114.1 | T2339 A2340 S2342 P2343 | I1851-T2339 HydrophobicContact CD1-CG2 3.99Å; I1851-A2340 PolarHBondContact N-O 2.93Å; I1851-S2342 PolarHBondContact O-N 2.83Å; I1851-S2342 VanDerWaalsContact O-N 3.1Å; I1851-P2343 WeakPolarHBondContact O-CD 3.08Å |
| 1852 | P | 28 | Very low | 28.6 | Very low | 61 Ų | 61 | 88.5 Ų | 88.5 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | trans | -96.7 | 164.8 | -177.3 | 37.2 | -31.8 | 0 | 0 | 0 | 115.1 | R2128 | P1852-R2128 HydrophobicContact CB-CG 3.75Å; P1852-R2128 HydrophobicContact CG-CG 4.24Å | ||
| 1853 | R | 23.3 | Very low | 27.8 | Very low | 210 Ų | 210 | 89.6 Ų | 89.6 | 79% | 0.792 | 48% | 0.475 | S | S | * | . | trans | -136.3 | 117.2 | 169 | -159.1 | 179.8 | -163 | -176.8 | 6.3 | 109.2 | ||||
| 1854 | S | 24.4 | Very low | 27.3 | Very low | 60 Ų | 60 | 95.5 Ų | 95.5 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | trans | -159.2 | 125.5 | -175.1 | 160.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1855 | T | 25 | Very low | 26.6 | Very low | 137 Ų | 137 | 94.4 Ų | 94.4 | 84% | 0.84 | 49% | 0.493 | S | S | * | . | trans | -139.5 | 152.8 | 173.6 | 43.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1856 | N | 22.5 | Very low | 26 | Very low | 112 Ų | 112 | 94.2 Ų | 94.2 | 60% | 0.599 | 50% | 0.496 | S | S | * | . | trans | 75.1 | 122.9 | 174.9 | -162.7 | -20.7 | 0 | 0 | 0 | 117.3 | R2131 | N1856-R2131 VanDerWaalsContact CG-NH2 3.26Å; N1856-R2131 PolarHBondContact O-NE 3.08Å; N1856-R2131 PolarHBondContact O-NH2 2.83Å; N1856-R2131 PolarHBondContact OD1-NH2 3.48Å | ||
| 1857 | P | 24.2 | Very low | 25.4 | Very low | 70 Ų | 70 | 97.7 Ų | 97.7 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | trans | -110 | -1.7 | -163.8 | 8.5 | 16.2 | 0 | 0 | 0 | 119.2 | H1859 I1860 R2131 | P1857-H1859 PolarHBondContact O-N 3.44Å; P1857-I1860 HydrophobicContact CB-CD1 4.45Å; P1857-I1860 WeakPolarHBondContact O-CD1 3.46Å; P1857-I1860 VanDerWaalsContact O-CG1 3.22Å; P1857-I1860 WeakPolarHBondContact O-CG1 3.41Å; P1857-R2131 WeakPolarHBondContact O-CG 3.5Å | ||
| 1858 | S | 23.5 | Very low | 24.6 | Very low | 86 Ų | 86 | 98.4 Ų | 98.4 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | trans | -68.6 | -25.6 | -159.2 | 58.1 | 0 | 0 | 0 | 0 | 121 | I1860 R2131 | S1858-I1860 VanDerWaalsContact C-N 3.26Å; S1858-I1860 PolarHBondContact O-N 3.23Å; S1858-R2131 VanDerWaalsContact N-CZ 3.3Å; S1858-R2131 PolarHBondContact OG-NH1 3.25Å; S1858-R2131 PolarHBondContact OG-NH2 3.48Å | ||
| 1859 | H | 20.4 | Very low | 23.9 | Very low | 137 Ų | 137 | 107.5 Ų | 107.5 | 63% | 0.634 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 71 | 176.4 | -63.7 | 174.4 | 0 | 0 | 0 | 112.3 | P1857 R2131 | P1857-H1859 PolarHBondContact O-N 3.44Å; H1859-R2131 HydrophobicContact CB-CB 3.98Å; H1859-R2131 HydrophobicContact CB-CG 3.78Å; H1859-R2131 PolarHBondContact CD2-NH1 3.31Å; H1859-R2131 PolarHBondContact ND1-NH1 3.12Å; H1859-R2131 PolarHBondContact NE2-NH1 3.5Å; H1859-R2131 CarbonylContact O-C 3.37Å; H1859-R2131 WeakPolarHBondContact O-CA 3.31Å; H1859-R2131 VanDerWaalsContact O-CB 3.22Å; H1859-R2131 WeakPolarHBondContact O-CB 3.44Å |
| 1860 | I | 22.4 | Very low | 22.9 | Very low | 14 Ų | 14 | 111.2 Ų | 111.2 | 7% | 0.072 | 57% | 0.573 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -131.3 | -53.5 | -171.4 | -80.5 | -178.4 | 0 | 0 | 0 | 114.4 | P1857 S1858 R2131 T2133 | P1857-I1860 HydrophobicContact CB-CD1 4.45Å; P1857-I1860 WeakPolarHBondContact O-CD1 3.46Å; P1857-I1860 VanDerWaalsContact O-CG1 3.22Å; P1857-I1860 WeakPolarHBondContact O-CG1 3.41Å; S1858-I1860 VanDerWaalsContact C-N 3.26Å; S1858-I1860 PolarHBondContact O-N 3.23Å; I1860-R2131 HydrophobicContact CG1-CB 4.48Å; I1860-R2131 HydrophobicContact CG1-CG 4.42Å; I1860-T2133 HydrophobicContact CD1-CG2 4.09Å; I1860-T2133 WeakPolarHBondContact CG2-OG1 3.13Å |
| 1861 | V | 22.7 | Very low | 22.4 | Very low | 52 Ų | 52 | 116 Ų | 116 | 32% | 0.315 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -85.6 | -37.2 | -154.3 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | N1863 L2159 | V1861-N1863 PolarHBondContact O-N 3.14Å; V1861-L2159 HydrophobicContact CG2-CD2 3.65Å; V1861-L2159 HydrophobicContact CG2-CG 4.15Å |
| 1862 | S | 21 | Very low | 21.9 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 76% | 0.755 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -77.1 | 26.5 | -161.6 | 55.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1863 | N | 19.7 | Very low | 21.7 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -130.7 | 126.4 | 174.9 | -93.4 | -57.5 | 0 | 0 | 0 | 112.2 | V1861 I2135 | V1861-N1863 PolarHBondContact O-N 3.14Å; N1863-I2135 HydrophobicContact CB-CD1 3.56Å; N1863-I2135 HydrophobicContact CB-CG1 3.42Å; N1863-I2135 VanDerWaalsContact CB-CG1 3.42Å |
| 1864 | F | 19.8 | Very low | 21.6 | Very low | 131 Ų | 131 | 114.5 Ų | 114.5 | 58% | 0.575 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 72.9 | 64.2 | 178.3 | -49.6 | -71.8 | 0 | 0 | 0 | 117.8 | I2135 K2138 | F1864-I2135 HydrophobicContact CD2-CB 4.15Å; F1864-I2135 HydrophobicContact CD2-CG1 3.88Å; F1864-I2135 HydrophobicContact CD2-CG2 3.72Å; F1864-I2135 HydrophobicContact CE2-CB 4.45Å; F1864-I2135 HydrophobicContact CE2-CG1 4.13Å; F1864-I2135 HydrophobicContact CE2-CG2 3.68Å; F1864-K2138 HydrophobicContact CB-CD 4.08Å; F1864-K2138 WeakPolarHBondContact O-CD 3.15Å; F1864-K2138 WeakPolarHBondContact O-CE 3.16Å; F1864-K2138 PolarHBondContact O-NZ 3.12Å |
| 1865 | Q | 20.7 | Very low | 21.6 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 43% | 0.425 | 63% | 0.625 | S | S | . | * | trans | -139.8 | 102.6 | 141.1 | -157.2 | 108.4 | -30.5 | 0 | 0 | 110.4 | F2164 | Q1865-F2164 HydrophobicContact CG-CE1 3.82Å; Q1865-F2164 HydrophobicContact CG-CZ 4.33Å | ||
| 1866 | L | 21 | Very low | 21.6 | Very low | 157 Ų | 157 | 116.9 Ų | 116.9 | 82% | 0.822 | 62% | 0.616 | S | S | * | * | trans | -153.6 | 125.3 | 173 | -97.3 | 170.4 | 0 | 0 | 0 | 107.2 | ||||
| 1867 | F | 20.5 | Very low | 21.6 | Very low | 191 Ų | 191 | 120.3 Ų | 120.3 | 84% | 0.838 | 63% | 0.626 | S | S | * | * | trans | -172.8 | 116.1 | 157.7 | -93.9 | -60 | 0 | 0 | 0 | 108.4 | ||||
| 1868 | D | 19.8 | Very low | 21.6 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | trans | 9.6 | 135.1 | 159.6 | -38.2 | -37.2 | 0 | 0 | 0 | 121.4 | ||||
| 1869 | F | 18.3 | Very low | 21.4 | Very low | 207 Ų | 207 | 124.6 Ų | 124.6 | 91% | 0.908 | 65% | 0.649 | S | S | * | * | -157.7 | 161.6 | 108.3 | -127.5 | -92.9 | 0 | 0 | 0 | 112.5 | |||||
| 1870 | E | 18.8 | Very low | 21.4 | Very low | 177 Ų | 177 | 125.4 Ų | 125.4 | 83% | 0.827 | 66% | 0.657 | S | S | * | * | trans | -94.9 | 155.8 | -173.4 | -61 | 177.3 | 122 | 0 | 0 | 114.3 | ||||
| 1871 | L | 23 | Very low | 21.3 | Very low | 144 Ų | 144 | 133 Ų | 133 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | trans | -133.9 | 161.8 | 163.7 | -83 | 171.5 | 0 | 0 | 0 | 110.2 | ||||
| 1872 | T | 20.9 | Very low | 21.1 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | trans | -111.7 | 159.6 | -157.1 | 63.6 | 0 | 0 | 0 | 0 | 115.4 | A1874 E1875 | T1872-A1874 PolarHBondContact O-N 3.1Å; T1872-E1875 PolarHBondContact O-N 3.35Å | ||
| 1873 | D | 23.1 | Very low | 21.1 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -8.7 | -170.5 | -66 | -52 | 0 | 0 | 0 | 117.8 | ||
| 1874 | A | 21 | Very low | 21.2 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T1872 | T1872-A1874 PolarHBondContact O-N 3.1Š|
| 1875 | E | 25.3 | Very low | 21.2 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 56% | 0.561 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -77.9 | -31.3 | -172.5 | -61.9 | 178.7 | 138.8 | 0 | 0 | 111.6 | T1872 K1877 A1878 | T1872-E1875 PolarHBondContact O-N 3.35Å; E1875-K1877 PolarHBondContact O-N 3.12Å; E1875-K1877 VanDerWaalsContact O-N 3.16Å; E1875-A1878 PolarHBondContact O-N 2.86Å |
| 1876 | I | 25.6 | Very low | 21.1 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -59.9 | -25 | 176.7 | -62.8 | 178.4 | 0 | 0 | 0 | 112.4 | ||
| 1877 | K | 22.9 | Very low | 21 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -89.6 | -2.5 | -174.8 | -74.3 | 178.4 | 176.8 | 167.1 | 0 | 115.4 | E1875 | E1875-K1877 PolarHBondContact O-N 3.12Å; E1875-K1877 VanDerWaalsContact O-N 3.16Å |
| 1878 | A | 22.5 | Very low | 20.9 | Very low | 81 Ų | 81 | 155.9 Ų | 155.9 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -86.4 | -17.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1875 | E1875-A1878 PolarHBondContact O-N 2.86Š|
| 1879 | L | 20.6 | Very low | 20.8 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -119.2 | 98 | -173.2 | -71.1 | 173.4 | 0 | 0 | 0 | 111.9 | ||||
| 1880 | N | 20.2 | Very low | 20.8 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -87.5 | 172 | 171.8 | -162.4 | 8 | 0 | 0 | 0 | 111 | ||||
| 1881 | E | 19.6 | Very low | 20.8 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -64.8 | 168.6 | -172.4 | -60.4 | -174.5 | 113.8 | 0 | 0 | 115.2 | ||
| 1882 | V | 19.1 | Very low | 20.6 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 78.7 | 51.1 | 169.9 | -154.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 1883 | Q | 21.1 | Very low | 20.4 | Very low | 185 Ų | 185 | 152.9 Ų | 152.9 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -125.1 | 17.9 | 154.2 | -73.1 | -158.6 | -10.3 | 0 | 0 | 115 | R1885 | Q1883-R1885 PolarHBondContact O-N 2.88Š| ||
| 1884 | I | 21.3 | Very low | 20.3 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 86% | 0.862 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 1.6 | -172.9 | -74.3 | 171.6 | 0 | 0 | 0 | 115.6 | ||
| 1885 | R | 19.2 | Very low | 20.4 | Very low | 236 Ų | 236 | 154.6 Ų | 154.6 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 1.1 | -162.1 | -80.3 | -165.5 | 171 | -149 | -3.8 | 120.2 | Q1883 | Q1883-R1885 PolarHBondContact O-N 2.88Š|
| 1886 | Q | 18.7 | Very low | 20.1 | Very low | 178 Ų | 178 | 153.7 Ų | 153.7 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -142.9 | 130.6 | 174.6 | -66.9 | -170.5 | -3.2 | 0 | 0 | 113.2 | ||
| 1887 | R | 18.6 | Very low | 20 | Very low | 238 Ų | 238 | 153.1 Ų | 153.1 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | 67.3 | 120.7 | -170.7 | -47.7 | 175.6 | -174.2 | -169.2 | 0.2 | 112 | ||||
| 1888 | I | 19.6 | Very low | 19.9 | Very low | 160 Ų | 160 | 149 Ų | 149 | 82% | 0.821 | 74% | 0.741 | S | S | * | * | cis | 54.9 | 64.8 | 7.3 | -41.8 | -179.5 | 0 | 0 | 0 | 113.4 | ||||
| 1889 | F | 17.4 | Very low | 19.9 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | -178.3 | 116.3 | 118.9 | -131 | -90.2 | 0 | 0 | 0 | 109.9 | F1891 | F1889-F1891 HydrophobicContact CD1-CB 4.39Å; F1889-F1891 AromaticContact CD1-CD2 3.85Å; F1889-F1891 HydrophobicContact CD1-CD2 3.85Å; F1889-F1891 HydrophobicContact CE1-CD2 4.14Å; F1889-F1891 PolarHBondContact O-N 2.8Å | |||
| 1890 | P | 18.5 | Very low | 20.1 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | trans | -72.1 | 55.5 | 167.6 | -20.7 | 35.2 | 0 | 0 | 0 | 113.4 | L1892 | P1890-L1892 PolarHBondContact O-N 3.3Š| ||
| 1891 | F | 18.4 | Very low | 20.3 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 20.7 | 163.9 | -132.1 | -75.2 | 0 | 0 | 0 | 111.9 | F1889 | F1889-F1891 HydrophobicContact CD1-CB 4.39Å; F1889-F1891 AromaticContact CD1-CD2 3.85Å; F1889-F1891 HydrophobicContact CD1-CD2 3.85Å; F1889-F1891 HydrophobicContact CE1-CD2 4.14Å; F1889-F1891 PolarHBondContact O-N 2.8Å |
| 1892 | L | 17.8 | Very low | 20.7 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 58% | 0.576 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 7.9 | -169.4 | -141.1 | 76.7 | 0 | 0 | 0 | 113.7 | P1890 L1896 | P1890-L1892 PolarHBondContact O-N 3.3Å; L1892-L1896 HydrophobicContact CD2-CD1 3.98Å; L1892-L1896 HydrophobicContact CG-CD1 4.06Å |
| 1893 | W | 18 | Very low | 21.4 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -111.8 | 12.2 | 159 | -95.9 | 75.1 | 0 | 0 | 0 | 113 | F2166 | W1893-F2166 HydrophobicContact CB-CZ 4.26Å; W1893-F2166 AromaticContact CE3-CE2 3.89Å; W1893-F2166 HydrophobicContact CE3-CE2 3.89Å; W1893-F2166 AromaticContact CE3-CZ 3.76Å; W1893-F2166 HydrophobicContact CE3-CZ 3.76Å; W1893-F2166 HydrophobicContact CZ3-CE2 4.27Å |
| 1894 | C | 21.2 | Very low | 21.9 | Very low | 90 Ų | 90 | 132.5 Ų | 132.5 | 61% | 0.608 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -94.1 | -20.5 | 159.5 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1895 | E | 21.9 | Very low | 22.8 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -120.3 | -18.7 | -170.5 | -76.9 | -71.9 | 127.9 | 0 | 0 | 114.4 | ||
| 1896 | L | 19.5 | Very low | 23.8 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | 118.4 | 169.3 | -85.2 | 166.7 | 0 | 0 | 0 | 110.6 | L1892 | L1892-L1896 HydrophobicContact CD2-CD1 3.98Å; L1892-L1896 HydrophobicContact CG-CD1 4.06Å |
| 1897 | I | 23.3 | Very low | 25.1 | Very low | 116 Ų | 116 | 111.7 Ų | 111.7 | 60% | 0.595 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.7 | 52.9 | 175.8 | -36.7 | -175.5 | 0 | 0 | 0 | 114.6 | A1899 D1900 | I1897-A1899 HydrophobicContact CG2-CB 4.17Å; I1897-A1899 PolarHBondContact O-N 3.32Å; I1897-D1900 HydrophobicContact CG2-CB 4.36Å |
| 1898 | S | 21.3 | Very low | 27.1 | Very low | 98 Ų | 98 | 107.5 Ų | 107.5 | 69% | 0.685 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -71.7 | 21.4 | 137.6 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1899 | A | 22.9 | Very low | 29.8 | Very low | 68 Ų | 68 | 103 Ų | 103 | 56% | 0.562 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -110.3 | -30.9 | -158.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1897 | I1897-A1899 HydrophobicContact CG2-CB 4.17Å; I1897-A1899 PolarHBondContact O-N 3.32Å |
| 1900 | D | 23.3 | Very low | 32.5 | Very low | 104 Ų | 104 | 96.1 Ų | 96.1 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -126 | 11.9 | -177.3 | -105.3 | -40.2 | 0 | 0 | 0 | 115.6 | I1897 S1902 Y1903 | I1897-D1900 HydrophobicContact CG2-CB 4.36Å; D1900-S1902 PolarHBondContact O-N 3.42Å; D1900-S1902 VanDerWaalsContact O-N 3.1Å; D1900-Y1903 PolarHBondContact O-N 2.8Å; D1900-Y1903 WeakPolarHBondContact OD1-CB 3.45Å |
| 1901 | I | 25.2 | Very low | 35.5 | Very low | 63 Ų | 63 | 95.1 Ų | 95.1 | 32% | 0.323 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -52.8 | -27.8 | 160.1 | -66.8 | 173.8 | 0 | 0 | 0 | 110.4 | Y1903 T1905 V1959 V2161 | I1901-Y1903 PolarHBondContact O-N 3.39Å; I1901-T1905 PolarHBondContact O-OG1 2.97Å; I1901-V1959 HydrophobicContact CG2-CB 3.93Å; I1901-V1959 WeakPolarHBondContact CG2-O 3.44Å; I1901-V2161 HydrophobicContact CG2-CG1 4.37Å |
| 1902 | S | 28.8 | Very low | 38.7 | Very low | 75 Ų | 75 | 88 Ų | 88 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -32 | 172.2 | -53.4 | 0 | 0 | 0 | 0 | 115.1 | D1900 S1906 | D1900-S1902 PolarHBondContact O-N 3.42Å; D1900-S1902 VanDerWaalsContact O-N 3.1Å; S1902-S1906 WeakPolarHBondContact O-CB 3.38Å; S1902-S1906 PolarHBondContact O-OG 3.45Å |
| 1903 | Y | 33 | Very low | 41.5 | Very low | 160 Ų | 160 | 88.3 Ų | 88.3 | 63% | 0.627 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -86.3 | -45.5 | -168.4 | -164.6 | -90.7 | 0 | 0 | 0 | 113.6 | D1900 I1901 T1905 S1906 S1907 | D1900-Y1903 PolarHBondContact O-N 2.8Å; D1900-Y1903 WeakPolarHBondContact OD1-CB 3.45Å; I1901-Y1903 PolarHBondContact O-N 3.39Å; Y1903-T1905 VanDerWaalsContact C-N 3.32Å; Y1903-T1905 PolarHBondContact O-N 3.29Å; Y1903-S1906 PolarHBondContact O-N 2.67Å; Y1903-S1907 VanDerWaalsContact O-CB 3.3Å; Y1903-S1907 WeakPolarHBondContact O-CB 3.48Å; Y1903-S1907 PolarHBondContact O-N 3.04Å; Y1903-S1907 VanDerWaalsContact O-N 3.1Å; Y1903-S1907 PolarHBondContact O-OG 3.03Å |
| 1904 | A | 31.7 | Very low | 44.6 | Very low | 76 Ų | 76 | 82.8 Ų | 82.8 | 63% | 0.628 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.9 | -32.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1905 | T | 39.6 | Very low | 47.5 | Very low | 33 Ų | 33 | 80.9 Ų | 80.9 | 20% | 0.202 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -89.1 | -13.9 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | I1901 Y1903 G1960 V2161 | I1901-T1905 PolarHBondContact O-OG1 2.97Å; Y1903-T1905 VanDerWaalsContact C-N 3.32Å; Y1903-T1905 PolarHBondContact O-N 3.29Å; T1905-G1960 WeakPolarHBondContact CB-O 3.46Å; T1905-G1960 WeakPolarHBondContact OG1-CA 3.41Å; T1905-G1960 PolarHBondContact OG1-O 3.03Å; T1905-V2161 HydrophobicContact CG2-CG1 4.06Å |
| 1906 | S | 40.4 | Very low | 50.6 | Low | 61 Ų | 61 | 75.1 Ų | 75.1 | 43% | 0.427 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -108.4 | -15.5 | 179.2 | 71.2 | 0 | 0 | 0 | 0 | 115.5 | S1902 Y1903 H1909 | S1902-S1906 WeakPolarHBondContact O-CB 3.38Å; S1902-S1906 PolarHBondContact O-OG 3.45Å; Y1903-S1906 PolarHBondContact O-N 2.67Å; S1906-H1909 PolarHBondContact O-CE1 3.46Å |
| 1907 | S | 46.9 | Very low | 53.7 | Low | 51 Ų | 51 | 74.8 Ų | 74.8 | 36% | 0.357 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -89 | -55.1 | -173.9 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | Y1903 H1909 | Y1903-S1907 VanDerWaalsContact O-CB 3.3Å; Y1903-S1907 WeakPolarHBondContact O-CB 3.48Å; Y1903-S1907 PolarHBondContact O-N 3.04Å; Y1903-S1907 VanDerWaalsContact O-N 3.1Å; Y1903-S1907 PolarHBondContact O-OG 3.03Å; S1907-H1909 PolarHBondContact O-N 3.29Å; S1907-H1909 PolarHBondContact O-ND1 3.14Å |
| 1908 | K | 61.1 | Low | 56.8 | Low | 149 Ų | 149 | 69.3 Ų | 69.3 | 65% | 0.648 | 40% | 0.402 | S | S | * | . | trans | -76.6 | 110.3 | -173.7 | -85.6 | -158.8 | 169.6 | -162.7 | 0 | 113.4 | M1920 | K1908-M1920 HydrophobicContact CB-CB 4.43Å; K1908-M1920 HydrophobicContact CB-CG 4.08Å; K1908-M1920 WeakPolarHBondContact O-CB 3.21Å; K1908-M1920 WeakPolarHBondContact O-CG 3.44Å; K1908-M1920 PolarHBondContact O-N 3.21Å | ||
| 1909 | H | 75.2 | Confident | 59.7 | Low | 66 Ų | 66 | 64.9 Ų | 64.9 | 31% | 0.306 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.9 | 173.3 | -64.1 | 85.3 | 0 | 0 | 0 | 111 | S1906 S1907 L1917 M1918 | S1906-H1909 PolarHBondContact O-CE1 3.46Å; S1907-H1909 PolarHBondContact O-N 3.29Å; S1907-H1909 PolarHBondContact O-ND1 3.14Å; H1909-L1917 HydrophobicContact CB-CB 3.86Å; H1909-L1917 HydrophobicContact CB-CD2 4.19Å; H1909-L1917 HydrophobicContact CB-CG 4.47Å; H1909-M1918 CarbonylContact C-O 3.59Å; H1909-M1918 VanDerWaalsContact CA-O 3.31Å; H1909-M1918 WeakPolarHBondContact CA-O 3.31Å |
| 1910 | A | 74.3 | Confident | 62.4 | Low | 15 Ų | 15 | 62.2 Ų | 62.2 | 12% | 0.124 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 126 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L1912 M1918 M1920 I2146 | A1910-L1912 PolarHBondContact O-N 3.47Å; A1910-M1918 PolarHBondContact N-O 2.83Å; A1910-M1918 PolarHBondContact O-N 3.32Å; A1910-M1920 HydrophobicContact CB-SD 3.66Å; A1910-I2146 HydrophobicContact CB-CD1 3.8Å; A1910-I2146 HydrophobicContact CB-CG1 3.89Å |
| 1911 | T | 82.3 | Confident | 64.8 | Low | 90 Ų | 90 | 59.8 Ų | 59.8 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 111.8 | 168 | -49 | 0 | 0 | 0 | 0 | 108.7 | L1917 | T1911-L1917 HydrophobicContact CG2-CD2 4.21Å; T1911-L1917 WeakPolarHBondContact OG1-CD2 3.45Å |
| 1912 | L | 84.9 | Confident | 67.2 | Low | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | trans | -63 | 154.5 | 169.9 | -62.7 | -172.9 | 0 | 0 | 0 | 110 | A1910 N1914 G1915 V1916 M1918 F1995 S2068 Q2091 S2116 | A1910-L1912 PolarHBondContact O-N 3.47Å; L1912-N1914 WeakPolarHBondContact CB-OD1 3.4Å; L1912-N1914 PolarHBondContact O-N 2.83Å; L1912-G1915 WeakPolarHBondContact O-CA 3.44Å; L1912-G1915 PolarHBondContact O-N 2.93Å; L1912-V1916 HydrophobicContact CB-CB 4.43Å; L1912-V1916 VanDerWaalsContact CB-O 3.29Å; L1912-V1916 WeakPolarHBondContact CB-O 3.21Å; L1912-V1916 HydrophobicContact CD1-CB 4.35Å; L1912-V1916 WeakPolarHBondContact CG-O 3.09Å; L1912-V1916 PolarHBondContact N-O 3.08Å; L1912-M1918 HydrophobicContact CD1-CB 4.45Å; L1912-M1918 HydrophobicContact CD1-SD 4.26Å; L1912-M1918 HydrophobicContact CD2-CB 4.26Å; L1912-M1918 HydrophobicContact CD2-SD 3.93Å; L1912-M1918 HydrophobicContact CG-CB 4.13Å; L1912-M1918 HydrophobicContact CG-SD 4.44Å; L1912-F1995 HydrophobicContact CD1-CE2 4.42Å; L1912-F1995 HydrophobicContact CD1-CZ 4.03Å; L1912-S2068 WeakPolarHBondContact CD1-OG 3.5Å; L1912-Q2091 HydrophobicContact CB-CB 4.48Å; L1912-Q2091 HydrophobicContact CD1-CB 4.45Å; L1912-S2116 WeakPolarHBondContact CD2-OG 3.26Å | ||
| 1913 | R | 77.7 | Confident | 69.4 | Low | 117 Ų | 117 | 53.8 Ų | 53.8 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.7 | -175.5 | 165.4 | 178.4 | -178 | 157.1 | 8.1 | 114.9 | Q2091 H2113 N2114 | R1913-Q2091 VanDerWaalsContact C-OE1 3.23Å; R1913-Q2091 VanDerWaalsContact CB-OE1 3.25Å; R1913-H2113 PolarHBondContact NH1-O 3.06Å; R1913-N2114 VanDerWaalsContact CD-O 3.31Å; R1913-N2114 WeakPolarHBondContact CD-O 3.34Å |
| 1914 | N | 82.2 | Confident | 71.4 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.1 | 173.4 | 61.9 | -9.7 | 0 | 0 | 0 | 113.7 | L1912 V1916 R2067 S2068 | L1912-N1914 WeakPolarHBondContact CB-OD1 3.4Å; L1912-N1914 PolarHBondContact O-N 2.83Å; N1914-V1916 WeakPolarHBondContact ND2-CG2 3.28Å; N1914-V1916 WeakPolarHBondContact OD1-CG2 3.36Å; N1914-V1916 PolarHBondContact OD1-N 3.08Å; N1914-R2067 PolarHBondContact ND2-O 3.27Å; N1914-S2068 WeakPolarHBondContact ND2-CB 3.13Å; N1914-S2068 PolarHBondContact ND2-OG 3.42Å |
| 1915 | G | 83.1 | Confident | 73.4 | Confident | 51 Ų | 51 | 43 Ų | 43 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 88.3 | -2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1912 | L1912-G1915 WeakPolarHBondContact O-CA 3.44Å; L1912-G1915 PolarHBondContact O-N 2.93Å |
| 1916 | V | 85.3 | Confident | 74.3 | Confident | 27 Ų | 27 | 46 Ų | 46 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | trans | -77.5 | 130.3 | -179.1 | -173.9 | 0 | 0 | 0 | 0 | 110 | L1912 N1914 F1995 R2067 | L1912-V1916 HydrophobicContact CB-CB 4.43Å; L1912-V1916 VanDerWaalsContact CB-O 3.29Å; L1912-V1916 WeakPolarHBondContact CB-O 3.21Å; L1912-V1916 HydrophobicContact CD1-CB 4.35Å; L1912-V1916 WeakPolarHBondContact CG-O 3.09Å; L1912-V1916 PolarHBondContact N-O 3.08Å; N1914-V1916 WeakPolarHBondContact ND2-CG2 3.28Å; N1914-V1916 WeakPolarHBondContact OD1-CG2 3.36Å; N1914-V1916 PolarHBondContact OD1-N 3.08Å; V1916-F1995 HydrophobicContact CG1-CE2 3.88Å; V1916-R2067 HydrophobicContact CG2-CB 4.17Å | ||
| 1917 | L | 85.2 | Confident | 74.8 | Confident | 93 Ų | 93 | 46.1 Ų | 46.1 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125.1 | 178.9 | -62.1 | -179.7 | 0 | 0 | 0 | 110.9 | H1909 T1911 F1995 | H1909-L1917 HydrophobicContact CB-CB 3.86Å; H1909-L1917 HydrophobicContact CB-CD2 4.19Å; H1909-L1917 HydrophobicContact CB-CG 4.47Å; T1911-L1917 HydrophobicContact CG2-CD2 4.21Å; T1911-L1917 WeakPolarHBondContact OG1-CD2 3.45Å; L1917-F1995 WeakPolarHBondContact O-CD2 3.36Å; L1917-F1995 WeakPolarHBondContact O-CE2 3.19Å |
| 1918 | M | 88.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 114.3 | -179.2 | -178 | 164.4 | -179.9 | 0 | 0 | 109.9 | H1909 A1910 L1912 M1920 H1963 F1995 V1997 L2045 I2146 | H1909-M1918 CarbonylContact C-O 3.59Å; H1909-M1918 VanDerWaalsContact CA-O 3.31Å; H1909-M1918 WeakPolarHBondContact CA-O 3.31Å; A1910-M1918 PolarHBondContact N-O 2.83Å; A1910-M1918 PolarHBondContact O-N 3.32Å; L1912-M1918 HydrophobicContact CD1-CB 4.45Å; L1912-M1918 HydrophobicContact CD1-SD 4.26Å; L1912-M1918 HydrophobicContact CD2-CB 4.26Å; L1912-M1918 HydrophobicContact CD2-SD 3.93Å; L1912-M1918 HydrophobicContact CG-CB 4.13Å; L1912-M1918 HydrophobicContact CG-SD 4.44Å; M1918-M1920 PolarHBondContact O-N 3.02Å; M1918-H1963 WeakPolarHBondContact CE-CE1 3.46Å; M1918-F1995 HydrophobicContact CB-CD2 4.21Å; M1918-F1995 HydrophobicContact CB-CE1 4.16Å; M1918-F1995 HydrophobicContact CB-CE2 3.69Å; M1918-F1995 HydrophobicContact CB-CZ 3.68Å; M1918-F1995 HydrophobicContact CE-CD1 4.49Å; M1918-F1995 HydrophobicContact CE-CE1 3.76Å; M1918-F1995 HydrophobicContact CE-CZ 4.38Å; M1918-F1995 HydrophobicContact CG-CD1 3.94Å; M1918-F1995 HydrophobicContact CG-CD2 4.39Å; M1918-F1995 HydrophobicContact CG-CE1 3.48Å; M1918-F1995 VanDerWaalsContact CG-CE1 3.48Å; M1918-F1995 HydrophobicContact CG-CE2 3.97Å; M1918-F1995 HydrophobicContact CG-CG 4.38Å; M1918-F1995 HydrophobicContact CG-CZ 3.51Å; M1918-F1995 HydrophobicContact SD-CE1 3.55Å; M1918-F1995 VanDerWaalsContact SD-CE1 3.55Å; M1918-F1995 HydrophobicContact SD-CZ 3.56Å; M1918-F1995 VanDerWaalsContact SD-CZ 3.56Å; M1918-V1997 HydrophobicContact CE-CG2 4.38Å; M1918-L2045 HydrophobicContact CE-CD2 3.62Å; M1918-L2045 HydrophobicContact SD-CD2 3.82Å; M1918-I2146 HydrophobicContact CE-CD1 4.1Å; M1918-I2146 HydrophobicContact CE-CG2 4.34Å; M1918-I2146 HydrophobicContact CG-CD1 4Å; M1918-I2146 HydrophobicContact SD-CD1 3.72Å |
| 1919 | P | 82.7 | Confident | 74.2 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 134.2 | -177.1 | -21.5 | 29.2 | 0 | 0 | 0 | 112.3 | V1921 R1962 H1963 F1995 | P1919-V1921 PolarHBondContact O-N 3.39Å; P1919-R1962 HydrophobicContact CG-CB 4.16Å; P1919-H1963 HydrophobicContact CB-CB 3.79Å; P1919-H1963 HydrophobicContact CG-CB 3.88Å; P1919-H1963 PolarHBondContact O-ND1 2.91Å; P1919-F1995 VanDerWaalsContact CD-CB 3.48Å; P1919-F1995 HydrophobicContact CG-CB 4.06Å |
| 1920 | M | 80 | Confident | 72.4 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -66.7 | -18.9 | -170.5 | -73.5 | -62.3 | -64.5 | 0 | 0 | 114.6 | K1908 A1910 M1918 L2141 I2145 I2146 V2147 | K1908-M1920 HydrophobicContact CB-CB 4.43Å; K1908-M1920 HydrophobicContact CB-CG 4.08Å; K1908-M1920 WeakPolarHBondContact O-CB 3.21Å; K1908-M1920 WeakPolarHBondContact O-CG 3.44Å; K1908-M1920 PolarHBondContact O-N 3.21Å; A1910-M1920 HydrophobicContact CB-SD 3.66Å; M1918-M1920 PolarHBondContact O-N 3.02Å; M1920-L2141 HydrophobicContact CB-CD2 3.66Å; M1920-L2141 HydrophobicContact CE-CD2 4.01Å; M1920-L2141 WeakPolarHBondContact O-CD2 3.31Å; M1920-I2145 WeakPolarHBondContact CE-O 3.45Å; M1920-I2146 HydrophobicContact CE-CG1 4.37Å; M1920-I2146 WeakPolarHBondContact O-CA 3.35Å; M1920-I2146 HydrophobicContact SD-CG1 3.83Å; M1920-V2147 PolarHBondContact O-N 3.36Å |
| 1921 | V | 72.4 | Confident | 70.4 | Confident | 52 Ų | 52 | 38 Ų | 38 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -120.7 | 126.4 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | P1919 L2141 V2147 P2149 | P1919-V1921 PolarHBondContact O-N 3.39Å; V1921-L2141 HydrophobicContact CG2-CD1 4.05Å; V1921-L2141 HydrophobicContact CG2-CD2 4.01Å; V1921-V2147 CarbonylContact C-O 3.51Å; V1921-V2147 WeakPolarHBondContact CA-O 3.44Å; V1921-V2147 HydrophobicContact CB-CG2 4.37Å; V1921-V2147 HydrophobicContact CG1-CG2 4.37Å; V1921-V2147 HydrophobicContact CG2-CG2 3.9Å; V1921-P2149 HydrophobicContact CG1-CG 3.98Å |
| 1922 | G | 75.3 | Confident | 67.9 | Low | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 155.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1963 V2147 I2148 P2149 | G1922-H1963 CarbonylContact C-O 3.57Å; G1922-H1963 VanDerWaalsContact CA-O 3.26Å; G1922-H1963 WeakPolarHBondContact CA-O 3.18Å; G1922-V2147 PolarHBondContact N-O 3.21Å; G1922-I2148 WeakPolarHBondContact O-CA 3.48Å; G1922-P2149 VanDerWaalsContact O-CD 3.25Å; G1922-P2149 WeakPolarHBondContact O-CD 3.41Å |
| 1923 | Y | 76.6 | Confident | 65.3 | Low | 12 Ų | 12 | 38.4 Ų | 38.4 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.1 | 178.7 | -175.3 | -98.5 | 0 | 0 | 0 | 111.3 | T1925 L1949 L1953 A1956 H1963 D1965 S2151 I2157 | Y1923-T1925 HydrophobicContact CD1-CG2 3.76Å; Y1923-T1925 HydrophobicContact CE1-CG2 3.97Å; Y1923-T1925 PolarHBondContact O-N 3.28Å; Y1923-L1949 HydrophobicContact CE1-CD1 3.89Å; Y1923-L1953 HydrophobicContact CD1-CB 4.48Å; Y1923-L1953 HydrophobicContact CD1-CD1 3.81Å; Y1923-L1953 HydrophobicContact CE1-CB 4.05Å; Y1923-L1953 HydrophobicContact CE1-CD1 4.24Å; Y1923-L1953 HydrophobicContact CG-CD1 4.38Å; Y1923-A1956 HydrophobicContact CD2-CB 3.86Å; Y1923-A1956 HydrophobicContact CE2-CB 4.26Å; Y1923-A1956 HydrophobicContact CG-CB 4.28Å; Y1923-H1963 PolarHBondContact N-O 3.2Å; Y1923-D1965 PolarHBondContact O-N 2.79Å; Y1923-S2151 WeakPolarHBondContact CE2-O 3.28Å; Y1923-S2151 PolarHBondContact OH-O 2.77Å; Y1923-I2157 HydrophobicContact CE2-CD1 3.77Å; Y1923-I2157 HydrophobicContact CE2-CG1 4.08Å |
| 1924 | G | 74.8 | Confident | 62.9 | Low | 8 Ų | 8 | 37.3 Ų | 37.3 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 109 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | P2149 | G1924-P2149 PolarHBondContact N-O 3.27Å |
| 1925 | T | 73.7 | Confident | 60.4 | Low | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -88.9 | -10.2 | -170.7 | 68.1 | 0 | 0 | 0 | 0 | 115.4 | Y1923 Q1927 V1928 L1949 I1964 D1965 T1966 N1972 I1976 | Y1923-T1925 HydrophobicContact CD1-CG2 3.76Å; Y1923-T1925 HydrophobicContact CE1-CG2 3.97Å; Y1923-T1925 PolarHBondContact O-N 3.28Å; T1925-Q1927 PolarHBondContact O-N 2.62Å; T1925-V1928 WeakPolarHBondContact O-CB 3.5Å; T1925-V1928 WeakPolarHBondContact O-CG2 3.41Å; T1925-V1928 PolarHBondContact O-N 2.76Å; T1925-V1928 VanDerWaalsContact O-N 3.12Å; T1925-L1949 HydrophobicContact CG2-CD1 4.06Å; T1925-I1964 HydrophobicContact CG2-CG2 4Å; T1925-D1965 WeakPolarHBondContact CB-O 3.41Å; T1925-D1965 WeakPolarHBondContact CG2-O 3.39Å; T1925-D1965 PolarHBondContact N-O 2.86Å; T1925-D1965 PolarHBondContact OG1-O 3.34Å; T1925-T1966 WeakPolarHBondContact OG1-CA 3.48Å; T1925-T1966 WeakPolarHBondContact OG1-CB 3.43Å; T1925-T1966 PolarHBondContact OG1-OG1 3.32Å; T1925-N1972 VanDerWaalsContact CB-ND2 3.28Å; T1925-N1972 WeakPolarHBondContact CB-ND2 3.35Å; T1925-N1972 PolarHBondContact O-ND2 3.36Å; T1925-N1972 PolarHBondContact OG1-ND2 3.32Å; T1925-I1976 HydrophobicContact CG2-CD1 3.78Å; T1925-I1976 HydrophobicContact CG2-CG1 4.34Å | ||
| 1926 | W | 58.6 | Low | 57.8 | Low | 98 Ų | 98 | 42.6 Ų | 42.6 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -51.3 | -59.7 | -171.6 | 174.9 | 36 | 0 | 0 | 0 | 114.7 | V1928 T1929 F1930 Y1970 | W1926-V1928 PolarHBondContact O-N 2.92Å; W1926-V1928 VanDerWaalsContact O-N 3.15Å; W1926-T1929 PolarHBondContact O-N 3.28Å; W1926-T1929 VanDerWaalsContact O-N 3.12Å; W1926-T1929 PolarHBondContact O-OG1 3.05Å; W1926-F1930 AromaticContact NE1-CG 3.58Å; W1926-F1930 PolarHBondContact O-N 2.9Å; W1926-Y1970 HydrophobicContact CB-CD1 4.06Å; W1926-Y1970 HydrophobicContact CB-CD2 3.79Å; W1926-Y1970 HydrophobicContact CB-CE1 3.85Å; W1926-Y1970 HydrophobicContact CB-CE2 3.59Å; W1926-Y1970 HydrophobicContact CB-CG 4.06Å; W1926-Y1970 AromaticContact CD1-CD1 3.13Å; W1926-Y1970 AromaticContact CD1-CE1 3.3Å; W1926-Y1970 AromaticContact CD1-CG 3.76Å; W1926-Y1970 HydrophobicContact CD2-CE1 4.49Å; W1926-Y1970 AromaticContact CG-CD1 3.81Å; W1926-Y1970 HydrophobicContact CG-CD1 3.81Å; W1926-Y1970 HydrophobicContact CG-CD2 4.44Å; W1926-Y1970 AromaticContact CG-CE1 3.59Å; W1926-Y1970 HydrophobicContact CG-CE1 3.59Å; W1926-Y1970 HydrophobicContact CG-CE2 4.27Å; W1926-Y1970 HydrophobicContact CG-CG 4.26Å; W1926-Y1970 AromaticContact CG-CZ 3.88Å; W1926-Y1970 AromaticContact NE1-CD1 3.96Å; W1926-Y1970 AromaticContact NE1-CE1 3.99Å |
| 1927 | Q | 50.9 | Low | 55.1 | Low | 63 Ų | 63 | 47.1 Ų | 47.1 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -77.5 | 0.6 | -173.8 | -156 | 177 | 19.1 | 0 | 0 | 112.5 | T1925 T1929 T1931 | T1925-Q1927 PolarHBondContact O-N 2.62Å; Q1927-T1929 PolarHBondContact O-N 2.71Å; Q1927-T1931 HydrophobicContact CG-CG2 3.94Å |
| 1928 | V | 48.5 | Very low | 52.5 | Low | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -70.4 | -15.1 | 167.4 | -159.1 | 0 | 0 | 0 | 0 | 110.8 | T1925 W1926 H1945 L1949 T2152 | T1925-V1928 WeakPolarHBondContact O-CB 3.5Å; T1925-V1928 WeakPolarHBondContact O-CG2 3.41Å; T1925-V1928 PolarHBondContact O-N 2.76Å; T1925-V1928 VanDerWaalsContact O-N 3.12Å; W1926-V1928 PolarHBondContact O-N 2.92Å; W1926-V1928 VanDerWaalsContact O-N 3.15Å; V1928-H1945 WeakPolarHBondContact CG1-O 3.14Å; V1928-H1945 VanDerWaalsContact O-CB 3.24Å; V1928-H1945 WeakPolarHBondContact O-CB 3.4Å; V1928-H1945 PolarHBondContact O-ND1 3.42Å; V1928-L1949 HydrophobicContact CB-CB 4.42Å; V1928-L1949 HydrophobicContact CB-CD1 4.24Å; V1928-L1949 HydrophobicContact CG1-CB 3.56Å; V1928-L1949 HydrophobicContact CG1-CD1 4.16Å; V1928-L1949 HydrophobicContact CG1-CG 4.29Å; V1928-L1949 HydrophobicContact CG2-CD1 4.11Å; V1928-T2152 HydrophobicContact CB-CG2 3.96Å; V1928-T2152 HydrophobicContact CG1-CG2 3.56Å; V1928-T2152 HydrophobicContact CG2-CG2 3.52Å |
| 1929 | T | 45.2 | Very low | 49.9 | Very low | 10 Ų | 10 | 56.8 Ų | 56.8 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -3.4 | 178.3 | 38 | 0 | 0 | 0 | 0 | 115.9 | W1926 Q1927 S1933 L1942 Y1970 N1972 | W1926-T1929 PolarHBondContact O-N 3.28Å; W1926-T1929 VanDerWaalsContact O-N 3.12Å; W1926-T1929 PolarHBondContact O-OG1 3.05Å; Q1927-T1929 PolarHBondContact O-N 2.71Å; T1929-S1933 PolarHBondContact O-OG 3.4Å; T1929-L1942 HydrophobicContact CG2-CD2 3.82Å; T1929-Y1970 WeakPolarHBondContact CB-O 3.23Å; T1929-Y1970 PolarHBondContact OG1-O 2.98Å; T1929-N1972 HydrophobicContact CG2-CB 3.73Å |
| 1930 | F | 38 | Very low | 47.5 | Very low | 49 Ų | 49 | 61.3 Ų | 61.3 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | trans | -115.3 | 40.2 | -173.8 | -108.1 | -95.7 | 0 | 0 | 0 | 116.1 | W1926 I1969 | W1926-F1930 AromaticContact NE1-CG 3.58Å; W1926-F1930 PolarHBondContact O-N 2.9Å; F1930-I1969 WeakPolarHBondContact CE2-O 3.37Å | ||
| 1931 | T | 31.8 | Very low | 45.2 | Very low | 48 Ų | 48 | 63.1 Ų | 63.1 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -145.5 | 111.3 | 158.7 | 49.2 | 0 | 0 | 0 | 0 | 107 | Q1927 H1945 | Q1927-T1931 HydrophobicContact CG-CG2 3.94Å; T1931-H1945 PolarHBondContact O-CE1 3.05Å |
| 1932 | D | 29.7 | Very low | 43.6 | Very low | 63 Ų | 63 | 64 Ų | 64 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | S | Bend | cis | -122.6 | 54 | 3 | -64.1 | -35 | 0 | 0 | 0 | 111.9 | L1934 I1935 G2195 | D1932-L1934 PolarHBondContact O-N 2.83Å; D1932-I1935 PolarHBondContact O-N 3.31Å; D1932-G2195 WeakPolarHBondContact OD2-CA 3.45Å |
| 1933 | S | 31 | Very low | 42 | Very low | 38 Ų | 38 | 70.5 Ų | 70.5 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 3.4 | -170.3 | 45.7 | 0 | 0 | 0 | 0 | 116.8 | T1929 | T1929-S1933 PolarHBondContact O-OG 3.4Š|
| 1934 | L | 27.9 | Very low | 40.3 | Very low | 94 Ų | 94 | 72.7 Ų | 72.7 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -16.6 | 163.2 | -66.7 | 171.8 | 0 | 0 | 0 | 112.7 | D1932 L2010 | D1932-L1934 PolarHBondContact O-N 2.83Å; L1934-L2010 WeakPolarHBondContact CA-O 3.41Å; L1934-L2010 WeakPolarHBondContact CB-O 3.25Å; L1934-L2010 HydrophobicContact CD2-CB 4.12Å; L1934-L2010 HydrophobicContact CD2-CD2 3.76Å; L1934-L2010 WeakPolarHBondContact CD2-O 2.95Å |
| 1935 | I | 29.1 | Very low | 39 | Very low | 127 Ų | 127 | 73.9 Ų | 73.9 | 65% | 0.651 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -130.9 | 33.9 | -177.6 | -32.2 | -178.8 | 0 | 0 | 0 | 113.1 | D1932 | D1932-I1935 PolarHBondContact O-N 3.31Š|
| 1936 | Q | 27.8 | Very low | 38.4 | Very low | 90 Ų | 90 | 73.9 Ų | 73.9 | 42% | 0.421 | 38% | 0.382 | S | S | . | . | trans | 174.1 | 138.6 | 137.9 | -96.5 | 164.3 | 33.5 | 0 | 0 | 111.4 | N1938 | Q1936-N1938 HydrophobicContact CB-CB 4.24Å; Q1936-N1938 PolarHBondContact O-N 2.87Å; Q1936-N1938 PolarHBondContact OE1-ND2 3.29Å | ||
| 1937 | P | 29.9 | Very low | 38.7 | Very low | 123 Ų | 123 | 72.3 Ų | 72.3 | 80% | 0.799 | 38% | 0.381 | S | S | * | . | trans | -79.1 | 32.3 | 174.4 | 35.9 | -37.4 | 0 | 0 | 0 | 112.6 | R1939 | P1937-R1939 PolarHBondContact O-N 2.87Å; P1937-R1939 VanDerWaalsContact O-N 3.11Å | ||
| 1938 | N | 30.5 | Very low | 39 | Very low | 84 Ų | 84 | 71 Ų | 71 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | trans | -76.4 | 103.4 | -170.3 | -107.7 | -31.8 | 0 | 0 | 0 | 111 | Q1936 C1940 L1941 | Q1936-N1938 HydrophobicContact CB-CB 4.24Å; Q1936-N1938 PolarHBondContact O-N 2.87Å; Q1936-N1938 PolarHBondContact OE1-ND2 3.29Å; N1938-C1940 PolarHBondContact O-N 2.78Å; N1938-L1941 PolarHBondContact O-N 3.46Å | ||
| 1939 | R | 33.2 | Very low | 39.9 | Very low | 211 Ų | 211 | 70.9 Ų | 70.9 | 80% | 0.796 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -54.2 | -19.7 | -177.3 | -77.6 | -177.7 | 167.6 | -174.1 | -5.6 | 114.5 | P1937 L1942 K1943 | P1937-R1939 PolarHBondContact O-N 2.87Å; P1937-R1939 VanDerWaalsContact O-N 3.11Å; R1939-L1942 CarbonylContact O-C 3.52Å; R1939-L1942 WeakPolarHBondContact O-CB 3.47Å; R1939-L1942 PolarHBondContact O-N 2.79Å; R1939-K1943 PolarHBondContact O-N 3.44Å |
| 1940 | C | 33.2 | Very low | 41.3 | Very low | 100 Ų | 100 | 72.7 Ų | 72.7 | 68% | 0.676 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -71.1 | -38.8 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | N1938 K1943 A1944 | N1938-C1940 PolarHBondContact O-N 2.78Å; C1940-K1943 WeakPolarHBondContact O-CA 3.16Å; C1940-K1943 WeakPolarHBondContact O-CB 3.39Å; C1940-K1943 PolarHBondContact O-N 3.29Å; C1940-K1943 VanDerWaalsContact O-N 3.11Å; C1940-A1944 PolarHBondContact O-N 3.27Å |
| 1941 | L | 30.9 | Very low | 42.8 | Very low | 52 Ų | 52 | 74.9 Ų | 74.9 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 170.1 | -83.9 | 171.5 | 0 | 0 | 0 | 110.1 | N1938 K1943 A1944 H1945 D2193 V2194 | N1938-L1941 PolarHBondContact O-N 3.46Å; L1941-K1943 PolarHBondContact O-N 3.31Å; L1941-A1944 PolarHBondContact O-N 3.25Å; L1941-A1944 VanDerWaalsContact O-N 3.09Å; L1941-H1945 WeakPolarHBondContact O-CB 3.24Å; L1941-H1945 PolarHBondContact O-CD2 3.36Å; L1941-H1945 VanDerWaalsContact O-CD2 3.24Å; L1941-H1945 PolarHBondContact O-N 2.73Å; L1941-D2193 WeakPolarHBondContact CD1-O 3.44Å; L1941-V2194 HydrophobicContact CD2-CG1 4.31Å |
| 1942 | L | 38.4 | Very low | 44.4 | Very low | 70 Ų | 70 | 72.6 Ų | 72.6 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.4 | -21.6 | 169.8 | -93.1 | 160.9 | 0 | 0 | 0 | 113.6 | T1929 R1939 G1946 | T1929-L1942 HydrophobicContact CG2-CD2 3.82Å; R1939-L1942 CarbonylContact O-C 3.52Å; R1939-L1942 WeakPolarHBondContact O-CB 3.47Å; R1939-L1942 PolarHBondContact O-N 2.79Å; L1942-G1946 VanDerWaalsContact O-CA 3.26Å; L1942-G1946 WeakPolarHBondContact O-CA 3.45Å; L1942-G1946 PolarHBondContact O-N 2.81Å |
| 1943 | K | 42 | Very low | 46.6 | Very low | 137 Ų | 137 | 69.6 Ų | 69.6 | 60% | 0.596 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -80.5 | -50.3 | 172 | -155.1 | -178.4 | -176.5 | -171.3 | 0 | 111.6 | R1939 C1940 L1941 H1945 G1946 D1947 | R1939-K1943 PolarHBondContact O-N 3.44Å; C1940-K1943 WeakPolarHBondContact O-CA 3.16Å; C1940-K1943 WeakPolarHBondContact O-CB 3.39Å; C1940-K1943 PolarHBondContact O-N 3.29Å; C1940-K1943 VanDerWaalsContact O-N 3.11Å; L1941-K1943 PolarHBondContact O-N 3.31Å; K1943-H1945 PolarHBondContact O-N 2.84Å; K1943-G1946 CarbonylContact O-C 3.46Å; K1943-G1946 WeakPolarHBondContact O-CA 3.25Å; K1943-G1946 PolarHBondContact O-N 2.99Å; K1943-G1946 VanDerWaalsContact O-N 3.13Å; K1943-D1947 WeakPolarHBondContact O-CB 3.43Å; K1943-D1947 PolarHBondContact O-N 2.66Å |
| 1944 | A | 42.3 | Very low | 48.8 | Very low | 58 Ų | 58 | 72.1 Ų | 72.1 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1940 L1941 D1947 A1948 | C1940-A1944 PolarHBondContact O-N 3.27Å; L1941-A1944 PolarHBondContact O-N 3.25Å; L1941-A1944 VanDerWaalsContact O-N 3.09Å; A1944-D1947 PolarHBondContact O-N 3.18Å; A1944-A1948 WeakPolarHBondContact O-CB 3.46Å; A1944-A1948 PolarHBondContact O-N 3.34Å |
| 1945 | H | 47.5 | Very low | 50.8 | Low | 33 Ų | 33 | 72.3 Ų | 72.3 | 15% | 0.153 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 170.2 | -81.2 | -107.1 | 0 | 0 | 0 | 111.8 | V1928 T1931 L1941 K1943 D1947 A1948 L1949 | V1928-H1945 WeakPolarHBondContact CG1-O 3.14Å; V1928-H1945 VanDerWaalsContact O-CB 3.24Å; V1928-H1945 WeakPolarHBondContact O-CB 3.4Å; V1928-H1945 PolarHBondContact O-ND1 3.42Å; T1931-H1945 PolarHBondContact O-CE1 3.05Å; L1941-H1945 WeakPolarHBondContact O-CB 3.24Å; L1941-H1945 PolarHBondContact O-CD2 3.36Å; L1941-H1945 VanDerWaalsContact O-CD2 3.24Å; L1941-H1945 PolarHBondContact O-N 2.73Å; K1943-H1945 PolarHBondContact O-N 2.84Å; H1945-D1947 VanDerWaalsContact C-N 3.35Å; H1945-A1948 PolarHBondContact O-N 3.18Å; H1945-L1949 WeakPolarHBondContact O-CB 3.33Å; H1945-L1949 PolarHBondContact O-N 2.62Å |
| 1946 | G | 59.5 | Low | 52.5 | Low | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1942 K1943 L1949 R1950 | L1942-G1946 VanDerWaalsContact O-CA 3.26Å; L1942-G1946 WeakPolarHBondContact O-CA 3.45Å; L1942-G1946 PolarHBondContact O-N 2.81Å; K1943-G1946 CarbonylContact O-C 3.46Å; K1943-G1946 WeakPolarHBondContact O-CA 3.25Å; K1943-G1946 PolarHBondContact O-N 2.99Å; K1943-G1946 VanDerWaalsContact O-N 3.13Å; G1946-L1949 CarbonylContact O-C 3.55Å; G1946-L1949 WeakPolarHBondContact O-CB 3.39Å; G1946-L1949 PolarHBondContact O-N 3.11Å; G1946-R1950 VanDerWaalsContact O-CG 3.28Å; G1946-R1950 WeakPolarHBondContact O-CG 3.38Å; G1946-R1950 PolarHBondContact O-N 3.45Å |
| 1947 | D | 65.4 | Low | 54.9 | Low | 65 Ų | 65 | 62.1 Ų | 62.1 | 35% | 0.348 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.7 | -38.5 | 178.1 | -61.9 | -23.8 | 0 | 0 | 0 | 110.6 | K1943 A1944 H1945 L1949 R1950 N1951 | K1943-D1947 WeakPolarHBondContact O-CB 3.43Å; K1943-D1947 PolarHBondContact O-N 2.66Å; A1944-D1947 PolarHBondContact O-N 3.18Å; H1945-D1947 VanDerWaalsContact C-N 3.35Å; D1947-L1949 VanDerWaalsContact C-N 3.34Å; D1947-R1950 PolarHBondContact O-N 3.26Å; D1947-R1950 IonicContact OD1-CZ 2.71Å; D1947-R1950 IonicContact OD1-NH1 3.75Å; D1947-R1950 PolarHBondContact OD1-NH1 3.23Å; D1947-N1951 VanDerWaalsContact O-CB 3.26Å; D1947-N1951 WeakPolarHBondContact O-CB 3.44Å; D1947-N1951 VanDerWaalsContact O-CG 3.24Å; D1947-N1951 PolarHBondContact O-N 3Å; D1947-N1951 PolarHBondContact O-ND2 3.43Å |
| 1948 | A | 56.8 | Low | 56.8 | Low | 36 Ų | 36 | 60.5 Ų | 60.5 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1944 H1945 G1952 | A1944-A1948 WeakPolarHBondContact O-CB 3.46Å; A1944-A1948 PolarHBondContact O-N 3.34Å; H1945-A1948 PolarHBondContact O-N 3.18Å; A1948-G1952 WeakPolarHBondContact O-CA 3.42Å; A1948-G1952 PolarHBondContact O-N 2.94Å |
| 1949 | L | 67.1 | Low | 58.4 | Low | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 172.6 | -174.9 | 51 | 0 | 0 | 0 | 111.4 | Y1923 T1925 V1928 H1945 G1946 D1947 L1953 N1972 V1975 I1976 | Y1923-L1949 HydrophobicContact CE1-CD1 3.89Å; T1925-L1949 HydrophobicContact CG2-CD1 4.06Å; V1928-L1949 HydrophobicContact CB-CB 4.42Å; V1928-L1949 HydrophobicContact CB-CD1 4.24Å; V1928-L1949 HydrophobicContact CG1-CB 3.56Å; V1928-L1949 HydrophobicContact CG1-CD1 4.16Å; V1928-L1949 HydrophobicContact CG1-CG 4.29Å; V1928-L1949 HydrophobicContact CG2-CD1 4.11Å; H1945-L1949 WeakPolarHBondContact O-CB 3.33Å; H1945-L1949 PolarHBondContact O-N 2.62Å; G1946-L1949 CarbonylContact O-C 3.55Å; G1946-L1949 WeakPolarHBondContact O-CB 3.39Å; G1946-L1949 PolarHBondContact O-N 3.11Å; D1947-L1949 VanDerWaalsContact C-N 3.34Å; L1949-L1953 HydrophobicContact CD1-CB 4.28Å; L1949-L1953 WeakPolarHBondContact O-CA 3.49Å; L1949-L1953 WeakPolarHBondContact O-CB 3.26Å; L1949-L1953 PolarHBondContact O-N 2.92Å; L1949-N1972 HydrophobicContact CD2-CB 3.71Å; L1949-V1975 HydrophobicContact CB-CG1 4.19Å; L1949-V1975 HydrophobicContact CD2-CB 4.06Å; L1949-V1975 HydrophobicContact CD2-CG1 3.94Å; L1949-V1975 HydrophobicContact CG-CG1 4.13Å; L1949-I1976 HydrophobicContact CD2-CG1 4.14Å |
| 1950 | R | 75.9 | Confident | 60.2 | Low | 47 Ų | 47 | 47.4 Ų | 47.4 | 18% | 0.177 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | -179.8 | -64.7 | -158.3 | -150.9 | 73.6 | -2 | 111.4 | G1946 D1947 R1954 V1975 E1978 V1979 | G1946-R1950 VanDerWaalsContact O-CG 3.28Å; G1946-R1950 WeakPolarHBondContact O-CG 3.38Å; G1946-R1950 PolarHBondContact O-N 3.45Å; D1947-R1950 PolarHBondContact O-N 3.26Å; D1947-R1950 IonicContact OD1-CZ 2.71Å; D1947-R1950 IonicContact OD1-NH1 3.75Å; D1947-R1950 PolarHBondContact OD1-NH1 3.23Å; R1950-R1954 WeakPolarHBondContact O-CB 3.33Å; R1950-R1954 PolarHBondContact O-N 3.35Å; R1950-V1975 HydrophobicContact CG-CG1 3.54Å; R1950-E1978 IonicContact CZ-OE2 2.86Å; R1950-E1978 VanDerWaalsContact CZ-OE2 3.22Å; R1950-E1978 IonicContact NE-OE2 2.67Å; R1950-E1978 PolarHBondContact NE-OE2 2.92Å; R1950-E1978 IonicContact NH2-OE2 2.68Å; R1950-E1978 PolarHBondContact NH2-OE2 2.75Å; R1950-V1979 HydrophobicContact CB-CG2 3.77Å; R1950-V1979 HydrophobicContact CG-CG2 3.52Å |
| 1951 | N | 68.7 | Low | 62 | Low | 95 Ų | 95 | 43.4 Ų | 43.4 | 51% | 0.508 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.7 | -45.6 | 177.9 | -68.4 | -21.6 | 0 | 0 | 0 | 111.3 | D1947 K1955 | D1947-N1951 VanDerWaalsContact O-CB 3.26Å; D1947-N1951 WeakPolarHBondContact O-CB 3.44Å; D1947-N1951 VanDerWaalsContact O-CG 3.24Å; D1947-N1951 PolarHBondContact O-N 3Å; D1947-N1951 PolarHBondContact O-ND2 3.43Å; N1951-K1955 VanDerWaalsContact O-CB 3.27Å; N1951-K1955 WeakPolarHBondContact O-CB 3.3Å; N1951-K1955 PolarHBondContact O-N 3.49Å |
| 1952 | G | 65 | Low | 64.6 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1948 K1955 A1956 | A1948-G1952 WeakPolarHBondContact O-CA 3.42Å; A1948-G1952 PolarHBondContact O-N 2.94Å; G1952-K1955 PolarHBondContact O-N 3.01Å; G1952-A1956 VanDerWaalsContact O-CB 3.31Å; G1952-A1956 WeakPolarHBondContact O-CB 3.13Å; G1952-A1956 PolarHBondContact O-N 2.73Å |
| 1953 | L | 77 | Confident | 67 | Low | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.9 | -40.1 | 177.9 | -179.8 | 59.5 | 0 | 0 | 0 | 112.1 | Y1923 L1949 A1956 L1957 I1964 I1976 V1979 | Y1923-L1953 HydrophobicContact CD1-CB 4.48Å; Y1923-L1953 HydrophobicContact CD1-CD1 3.81Å; Y1923-L1953 HydrophobicContact CE1-CB 4.05Å; Y1923-L1953 HydrophobicContact CE1-CD1 4.24Å; Y1923-L1953 HydrophobicContact CG-CD1 4.38Å; L1949-L1953 HydrophobicContact CD1-CB 4.28Å; L1949-L1953 WeakPolarHBondContact O-CA 3.49Å; L1949-L1953 WeakPolarHBondContact O-CB 3.26Å; L1949-L1953 PolarHBondContact O-N 2.92Å; L1953-A1956 PolarHBondContact O-N 2.97Å; L1953-L1957 HydrophobicContact CD1-CD1 4.32Å; L1953-L1957 HydrophobicContact CD1-CG 4.31Å; L1953-L1957 HydrophobicContact CG-CD1 4.1Å; L1953-L1957 WeakPolarHBondContact O-CB 3.5Å; L1953-L1957 WeakPolarHBondContact O-CG 3.45Å; L1953-L1957 PolarHBondContact O-N 2.86Å; L1953-I1964 HydrophobicContact CD1-CD1 3.85Å; L1953-I1964 HydrophobicContact CD1-CG1 3.93Å; L1953-I1964 HydrophobicContact CD1-CG2 4.41Å; L1953-I1964 HydrophobicContact CD2-CD1 4.47Å; L1953-I1976 HydrophobicContact CD2-CB 4.35Å; L1953-I1976 HydrophobicContact CD2-CG1 4.19Å; L1953-I1976 HydrophobicContact CD2-CG2 4.09Å; L1953-V1979 HydrophobicContact CB-CG1 4.34Å; L1953-V1979 HydrophobicContact CD2-CB 3.97Å; L1953-V1979 HydrophobicContact CD2-CG1 3.98Å; L1953-V1979 HydrophobicContact CD2-CG2 4.31Å; L1953-V1979 HydrophobicContact CG-CB 4.47Å; L1953-V1979 HydrophobicContact CG-CG1 3.93Å |
| 1954 | R | 76.9 | Confident | 69.2 | Low | 90 Ų | 90 | 33.2 Ų | 33.2 | 34% | 0.34 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 172.8 | -170.3 | -176.8 | -65.1 | 138.8 | -3.3 | 109.8 | R1950 A1956 L1957 D1958 V1979 | R1950-R1954 WeakPolarHBondContact O-CB 3.33Å; R1950-R1954 PolarHBondContact O-N 3.35Å; R1954-A1956 VanDerWaalsContact C-N 3.28Å; R1954-A1956 PolarHBondContact O-N 3.38Å; R1954-L1957 CarbonylContact O-C 3.59Å; R1954-L1957 WeakPolarHBondContact O-CB 3.48Å; R1954-L1957 PolarHBondContact O-N 3.35Å; R1954-D1958 WeakPolarHBondContact O-CB 3.34Å; R1954-D1958 PolarHBondContact O-N 2.91Å; R1954-V1979 HydrophobicContact CB-CG1 4.33Å |
| 1955 | K | 68.9 | Low | 71.4 | Confident | 98 Ų | 98 | 30.7 Ų | 30.7 | 43% | 0.426 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.7 | -39.6 | 176.2 | -145.4 | 72.9 | 179.5 | 169.8 | 0 | 112.3 | N1951 G1952 D1958 V1959 | N1951-K1955 VanDerWaalsContact O-CB 3.27Å; N1951-K1955 WeakPolarHBondContact O-CB 3.3Å; N1951-K1955 PolarHBondContact O-N 3.49Å; G1952-K1955 PolarHBondContact O-N 3.01Å; K1955-D1958 PolarHBondContact O-N 3.09Å; K1955-V1959 WeakPolarHBondContact O-CG1 3.38Å; K1955-V1959 WeakPolarHBondContact O-CG2 3.47Å; K1955-V1959 PolarHBondContact O-N 3.45Å |
| 1956 | A | 66.3 | Low | 73.4 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1923 G1952 L1953 R1954 V1959 G1960 C1961 I2157 | Y1923-A1956 HydrophobicContact CD2-CB 3.86Å; Y1923-A1956 HydrophobicContact CE2-CB 4.26Å; Y1923-A1956 HydrophobicContact CG-CB 4.28Å; G1952-A1956 VanDerWaalsContact O-CB 3.31Å; G1952-A1956 WeakPolarHBondContact O-CB 3.13Å; G1952-A1956 PolarHBondContact O-N 2.73Å; L1953-A1956 PolarHBondContact O-N 2.97Å; R1954-A1956 VanDerWaalsContact C-N 3.28Å; R1954-A1956 PolarHBondContact O-N 3.38Å; A1956-V1959 CarbonylContact O-C 3.6Å; A1956-G1960 PolarHBondContact O-N 3.3Å; A1956-C1961 HydrophobicContact CB-CB 4.11Å; A1956-C1961 WeakPolarHBondContact O-CA 3.37Å; A1956-C1961 WeakPolarHBondContact O-CB 3.48Å; A1956-C1961 PolarHBondContact O-N 3.16Å; A1956-I2157 HydrophobicContact CB-CG2 4.15Å |
| 1957 | L | 77.3 | Confident | 74.4 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -41.4 | 174.8 | -72.9 | 163.9 | 0 | 0 | 0 | 111.8 | L1953 R1954 V1959 G1960 R1962 I1964 V1979 L1980 W1983 V1994 | L1953-L1957 HydrophobicContact CD1-CD1 4.32Å; L1953-L1957 HydrophobicContact CD1-CG 4.31Å; L1953-L1957 HydrophobicContact CG-CD1 4.1Å; L1953-L1957 WeakPolarHBondContact O-CB 3.5Å; L1953-L1957 WeakPolarHBondContact O-CG 3.45Å; L1953-L1957 PolarHBondContact O-N 2.86Å; R1954-L1957 CarbonylContact O-C 3.59Å; R1954-L1957 WeakPolarHBondContact O-CB 3.48Å; R1954-L1957 PolarHBondContact O-N 3.35Å; L1957-V1959 PolarHBondContact O-N 2.99Å; L1957-G1960 PolarHBondContact O-N 2.93Å; L1957-G1960 VanDerWaalsContact O-N 3.08Å; L1957-R1962 PolarHBondContact O-NH1 3.18Å; L1957-R1962 PolarHBondContact O-NH2 3.37Å; L1957-R1962 VanDerWaalsContact O-NH2 3.1Å; L1957-I1964 HydrophobicContact CD2-CD1 4.5Å; L1957-V1979 HydrophobicContact CD1-CG1 3.85Å; L1957-L1980 HydrophobicContact CD1-CD2 4.2Å; L1957-L1980 HydrophobicContact CD2-CD2 4.48Å; L1957-W1983 HydrophobicContact CB-CD2 4.25Å; L1957-W1983 HydrophobicContact CB-CG 4.4Å; L1957-W1983 HydrophobicContact CB-CZ2 4.32Å; L1957-W1983 HydrophobicContact CD1-CB 4.29Å; L1957-W1983 HydrophobicContact CD1-CD2 4.15Å; L1957-W1983 HydrophobicContact CD1-CG 4.02Å; L1957-W1983 HydrophobicContact CD2-CD2 4.25Å; L1957-W1983 HydrophobicContact CD2-CE3 4.21Å; L1957-W1983 HydrophobicContact CD2-CH2 4.37Å; L1957-W1983 HydrophobicContact CD2-CZ2 4.4Å; L1957-W1983 HydrophobicContact CD2-CZ3 4.27Å; L1957-W1983 HydrophobicContact CG-CD2 4.46Å; L1957-V1994 HydrophobicContact CD2-CG1 3.87Å |
| 1958 | D | 71 | Confident | 74.8 | Confident | 89 Ų | 89 | 28.6 Ų | 28.6 | 48% | 0.476 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 177.2 | -57.8 | -23.2 | 0 | 0 | 0 | 111.1 | R1954 K1955 G1960 | R1954-D1958 WeakPolarHBondContact O-CB 3.34Å; R1954-D1958 PolarHBondContact O-N 2.91Å; K1955-D1958 PolarHBondContact O-N 3.09Å; D1958-G1960 PolarHBondContact O-N 2.95Å |
| 1959 | V | 63.5 | Low | 75.5 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 10% | 0.097 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 17.9 | 174.1 | -51.6 | 0 | 0 | 0 | 0 | 113.9 | I1901 K1955 A1956 L1957 L2158 V2161 | I1901-V1959 HydrophobicContact CG2-CB 3.93Å; I1901-V1959 WeakPolarHBondContact CG2-O 3.44Å; K1955-V1959 WeakPolarHBondContact O-CG1 3.38Å; K1955-V1959 WeakPolarHBondContact O-CG2 3.47Å; K1955-V1959 PolarHBondContact O-N 3.45Å; A1956-V1959 CarbonylContact O-C 3.6Å; L1957-V1959 PolarHBondContact O-N 2.99Å; V1959-L2158 HydrophobicContact CG1-CD2 4.28Å; V1959-V2161 HydrophobicContact CB-CG1 4.16Å; V1959-V2161 HydrophobicContact CG2-CB 4.23Å; V1959-V2161 HydrophobicContact CG2-CG1 3.99Å; V1959-V2161 HydrophobicContact CG2-CG2 3.92Å |
| 1960 | G | 70.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -0.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | T1905 A1956 L1957 D1958 R1962 | T1905-G1960 WeakPolarHBondContact CB-O 3.46Å; T1905-G1960 WeakPolarHBondContact OG1-CA 3.41Å; T1905-G1960 PolarHBondContact OG1-O 3.03Å; A1956-G1960 PolarHBondContact O-N 3.3Å; L1957-G1960 PolarHBondContact O-N 2.93Å; L1957-G1960 VanDerWaalsContact O-N 3.08Å; D1958-G1960 PolarHBondContact O-N 2.95Å; G1960-R1962 VanDerWaalsContact C-NH1 3.26Å; G1960-R1962 WeakPolarHBondContact O-CG 3.43Å; G1960-R1962 PolarHBondContact O-N 2.91Å; G1960-R1962 PolarHBondContact O-NH1 3.03Å |
| 1961 | C | 71.5 | Confident | 75.6 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 10% | 0.101 | 16% | 0.157 | C | C | . | . | trans | -63.7 | 121.1 | 173.6 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | A1956 | A1956-C1961 HydrophobicContact CB-CB 4.11Å; A1956-C1961 WeakPolarHBondContact O-CA 3.37Å; A1956-C1961 WeakPolarHBondContact O-CB 3.48Å; A1956-C1961 PolarHBondContact O-N 3.16Å | ||
| 1962 | R | 85 | Confident | 76 | Confident | 45 Ų | 45 | 28.6 Ų | 28.6 | 17% | 0.17 | 13% | 0.133 | C | C | . | . | trans | -108.8 | -19.1 | -175.5 | -67.2 | -60.6 | 160.5 | -100.7 | 6.7 | 115 | P1919 L1957 G1960 D1993 V1994 F1995 | P1919-R1962 HydrophobicContact CG-CB 4.16Å; L1957-R1962 PolarHBondContact O-NH1 3.18Å; L1957-R1962 PolarHBondContact O-NH2 3.37Å; L1957-R1962 VanDerWaalsContact O-NH2 3.1Å; G1960-R1962 VanDerWaalsContact C-NH1 3.26Å; G1960-R1962 WeakPolarHBondContact O-CG 3.43Å; G1960-R1962 PolarHBondContact O-N 2.91Å; G1960-R1962 PolarHBondContact O-NH1 3.03Å; R1962-D1993 VanDerWaalsContact CB-O 3.3Å; R1962-D1993 WeakPolarHBondContact CB-O 3.37Å; R1962-D1993 VanDerWaalsContact CD-O 3.23Å; R1962-D1993 WeakPolarHBondContact CD-O 3.27Å; R1962-D1993 WeakPolarHBondContact CG-O 3.13Å; R1962-V1994 CarbonylContact O-C 3.54Å; R1962-V1994 VanDerWaalsContact O-CA 3.32Å; R1962-V1994 WeakPolarHBondContact O-CA 3.45Å; R1962-F1995 PolarHBondContact O-N 2.87Å | ||
| 1963 | H | 88.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.1 | 179.1 | 170.1 | -167.6 | 0 | 0 | 0 | 110.1 | M1918 P1919 G1922 Y1923 F1995 V1997 | M1918-H1963 WeakPolarHBondContact CE-CE1 3.46Å; P1919-H1963 HydrophobicContact CB-CB 3.79Å; P1919-H1963 HydrophobicContact CG-CB 3.88Å; P1919-H1963 PolarHBondContact O-ND1 2.91Å; G1922-H1963 CarbonylContact C-O 3.57Å; G1922-H1963 VanDerWaalsContact CA-O 3.26Å; G1922-H1963 WeakPolarHBondContact CA-O 3.18Å; Y1923-H1963 PolarHBondContact N-O 3.2Å; H1963-F1995 CarbonylContact C-O 3.55Å; H1963-F1995 WeakPolarHBondContact CA-O 3.32Å; H1963-F1995 HydrophobicContact CB-CB 4.3Å; H1963-F1995 AromaticContact CD2-CD1 3.88Å; H1963-V1997 WeakPolarHBondContact NE2-CG2 3.35Å |
| 1964 | I | 88.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.2 | -179 | -56.4 | 170.2 | 0 | 0 | 0 | 108.7 | T1925 L1953 L1957 I1976 L1980 F1995 V1997 | T1925-I1964 HydrophobicContact CG2-CG2 4Å; L1953-I1964 HydrophobicContact CD1-CD1 3.85Å; L1953-I1964 HydrophobicContact CD1-CG1 3.93Å; L1953-I1964 HydrophobicContact CD1-CG2 4.41Å; L1953-I1964 HydrophobicContact CD2-CD1 4.47Å; L1957-I1964 HydrophobicContact CD2-CD1 4.5Å; I1964-I1976 HydrophobicContact CG2-CD1 4.41Å; I1964-I1976 HydrophobicContact CG2-CG2 4.14Å; I1964-L1980 HydrophobicContact CD1-CD1 4.15Å; I1964-L1980 HydrophobicContact CD1-CD2 3.74Å; I1964-L1980 HydrophobicContact CD1-CG 4.2Å; I1964-F1995 PolarHBondContact N-O 3.01Å; I1964-V1997 PolarHBondContact O-N 2.86Å |
| 1965 | D | 88.1 | Confident | 77.7 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.6 | 175.6 | 177.4 | -101.8 | 0 | 0 | 0 | 111.3 | Y1923 T1925 K1999 Q2094 I2148 | Y1923-D1965 PolarHBondContact O-N 2.79Å; T1925-D1965 WeakPolarHBondContact CB-O 3.41Å; T1925-D1965 WeakPolarHBondContact CG2-O 3.39Å; T1925-D1965 PolarHBondContact N-O 2.86Å; T1925-D1965 PolarHBondContact OG1-O 3.34Å; D1965-K1999 IonicContact OD1-NZ 2.71Å; D1965-K1999 PolarHBondContact OD1-NZ 3.32Å; D1965-K1999 WeakPolarHBondContact OD2-CE 3.31Å; D1965-K1999 IonicContact OD2-NZ 2.67Å; D1965-K1999 PolarHBondContact OD2-NZ 3.17Å; D1965-Q2094 PolarHBondContact OD1-NE2 2.75Å; D1965-Q2094 PolarHBondContact OD2-NE2 2.86Å; D1965-Q2094 PolarHBondContact OD2-OE1 3.47Å; D1965-I2148 HydrophobicContact CB-CD1 3.69Å; D1965-I2148 HydrophobicContact CB-CG1 4.39Å; D1965-I2148 HydrophobicContact CB-CG2 3.85Å |
| 1966 | T | 88.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -136.1 | -174.2 | 168.2 | -169.5 | 0 | 0 | 0 | 0 | 111.6 | T1925 N1972 E1973 I1976 V1997 T1998 K1999 L2038 | T1925-T1966 WeakPolarHBondContact OG1-CA 3.48Å; T1925-T1966 WeakPolarHBondContact OG1-CB 3.43Å; T1925-T1966 PolarHBondContact OG1-OG1 3.32Å; T1966-N1972 PolarHBondContact OG1-OD1 3.43Å; T1966-E1973 HydrophobicContact CG2-CG 4.13Å; T1966-I1976 HydrophobicContact CG2-CD1 3.77Å; T1966-V1997 CarbonylContact C-O 3.43Å; T1966-V1997 VanDerWaalsContact CG2-O 3.24Å; T1966-V1997 WeakPolarHBondContact CG2-O 3.47Å; T1966-V1997 PolarHBondContact N-O 2.66Å; T1966-T1998 WeakPolarHBondContact O-CA 3.33Å; T1966-K1999 WeakPolarHBondContact O-CE 3.25Å; T1966-K1999 WeakPolarHBondContact O-CG 3.36Å; T1966-L2038 HydrophobicContact CG2-CD2 4.14Å | ||
| 1967 | A | 81.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -156.7 | 153.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | I1969 Y1970 T1998 K1999 | A1967-I1969 HydrophobicContact CB-CG2 4.29Å; A1967-I1969 PolarHBondContact O-N 2.91Å; A1967-I1969 VanDerWaalsContact O-N 3.14Å; A1967-Y1970 HydrophobicContact CB-CD1 3.86Å; A1967-Y1970 HydrophobicContact CB-CD2 3.86Å; A1967-Y1970 HydrophobicContact CB-CE1 3.62Å; A1967-Y1970 HydrophobicContact CB-CE2 3.62Å; A1967-Y1970 HydrophobicContact CB-CG 3.95Å; A1967-Y1970 VanDerWaalsContact CB-CZ 3.46Å; A1967-Y1970 VanDerWaalsContact N-CE2 3.32Å; A1967-Y1970 WeakPolarHBondContact O-CB 3.41Å; A1967-Y1970 PolarHBondContact O-N 3.23Å; A1967-T1998 WeakPolarHBondContact CA-OG1 3.37Å; A1967-K1999 HydrophobicContact CB-CB 3.71Å; A1967-K1999 HydrophobicContact CB-CD 3.92Å; A1967-K1999 HydrophobicContact CB-CG 3.71Å | ||
| 1968 | Y | 74.8 | Confident | 80.1 | Confident | 55 Ų | 55 | 27.1 Ų | 27.1 | 22% | 0.216 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -46.3 | -48.3 | 172.7 | 166 | -100.6 | 0 | 0 | 0 | 113.1 | Y1970 Q1971 E1973 T1998 L2001 | Y1968-Y1970 PolarHBondContact O-N 2.73Å; Y1968-Q1971 PolarHBondContact O-N 2.88Å; Y1968-E1973 PolarHBondContact N-OE1 2.95Å; Y1968-T1998 PolarHBondContact N-OG1 3.32Å; Y1968-L2001 HydrophobicContact CD1-CB 3.64Å; Y1968-L2001 HydrophobicContact CD1-CD1 3.38Å; Y1968-L2001 HydrophobicContact CD1-CD2 3.95Å; Y1968-L2001 HydrophobicContact CD1-CG 3.77Å; Y1968-L2001 HydrophobicContact CE1-CB 4.23Å; Y1968-L2001 HydrophobicContact CE1-CD1 3.21Å; Y1968-L2001 HydrophobicContact CE1-CD2 3.69Å; Y1968-L2001 HydrophobicContact CE1-CG 3.82Å; Y1968-L2001 HydrophobicContact CE2-CD2 4.48Å; Y1968-L2001 HydrophobicContact CG-CB 4.02Å; Y1968-L2001 HydrophobicContact CG-CD1 4.49Å; Y1968-L2001 HydrophobicContact CG-CD2 4.43Å; Y1968-L2001 HydrophobicContact CG-CG 4.48Å |
| 1969 | I | 70.1 | Confident | 80.8 | Confident | 68 Ų | 68 | 22.9 Ų | 22.9 | 35% | 0.349 | 11% | 0.112 | S | C | . | . | G | 310 helix | trans | -65 | -16.2 | -173.1 | -159.6 | 171.5 | 0 | 0 | 0 | 112.5 | F1930 A1967 Q1971 H2049 | F1930-I1969 WeakPolarHBondContact CE2-O 3.37Å; A1967-I1969 HydrophobicContact CB-CG2 4.29Å; A1967-I1969 PolarHBondContact O-N 2.91Å; A1967-I1969 VanDerWaalsContact O-N 3.14Å; I1969-Q1971 PolarHBondContact O-N 3.42Å; I1969-H2049 VanDerWaalsContact CG2-CE1 3.44Å; I1969-H2049 WeakPolarHBondContact CG2-CE1 3.49Å |
| 1970 | Y | 71.1 | Confident | 82.1 | Confident | 15 Ų | 15 | 22.1 Ų | 22.1 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -74.4 | -13.8 | 175.3 | -50.7 | -14.3 | 0 | 0 | 0 | 111.6 | W1926 T1929 A1967 Y1968 N1972 K1999 H2049 | W1926-Y1970 HydrophobicContact CB-CD1 4.06Å; W1926-Y1970 HydrophobicContact CB-CD2 3.79Å; W1926-Y1970 HydrophobicContact CB-CE1 3.85Å; W1926-Y1970 HydrophobicContact CB-CE2 3.59Å; W1926-Y1970 HydrophobicContact CB-CG 4.06Å; W1926-Y1970 AromaticContact CD1-CD1 3.13Å; W1926-Y1970 AromaticContact CD1-CE1 3.3Å; W1926-Y1970 AromaticContact CD1-CG 3.76Å; W1926-Y1970 HydrophobicContact CD2-CE1 4.49Å; W1926-Y1970 AromaticContact CG-CD1 3.81Å; W1926-Y1970 HydrophobicContact CG-CD1 3.81Å; W1926-Y1970 HydrophobicContact CG-CD2 4.44Å; W1926-Y1970 AromaticContact CG-CE1 3.59Å; W1926-Y1970 HydrophobicContact CG-CE1 3.59Å; W1926-Y1970 HydrophobicContact CG-CE2 4.27Å; W1926-Y1970 HydrophobicContact CG-CG 4.26Å; W1926-Y1970 AromaticContact CG-CZ 3.88Å; W1926-Y1970 AromaticContact NE1-CD1 3.96Å; W1926-Y1970 AromaticContact NE1-CE1 3.99Å; T1929-Y1970 WeakPolarHBondContact CB-O 3.23Å; T1929-Y1970 PolarHBondContact OG1-O 2.98Å; A1967-Y1970 HydrophobicContact CB-CD1 3.86Å; A1967-Y1970 HydrophobicContact CB-CD2 3.86Å; A1967-Y1970 HydrophobicContact CB-CE1 3.62Å; A1967-Y1970 HydrophobicContact CB-CE2 3.62Å; A1967-Y1970 HydrophobicContact CB-CG 3.95Å; A1967-Y1970 VanDerWaalsContact CB-CZ 3.46Å; A1967-Y1970 VanDerWaalsContact N-CE2 3.32Å; A1967-Y1970 WeakPolarHBondContact O-CB 3.41Å; A1967-Y1970 PolarHBondContact O-N 3.23Å; Y1968-Y1970 PolarHBondContact O-N 2.73Å; Y1970-N1972 PolarHBondContact O-N 2.84Å; Y1970-K1999 PolarHBondContact OH-NZ 3.15Å; Y1970-H2049 AromaticContact CE1-CE1 3.64Å; Y1970-H2049 AromaticContact CE1-NE2 3.95Å; Y1970-H2049 AromaticContact CZ-NE2 3.99Å; Y1970-H2049 PolarHBondContact OH-NE2 3.24Å |
| 1971 | Q | 73.5 | Confident | 83 | Confident | 96 Ų | 96 | 26 Ų | 26 | 45% | 0.449 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 50.8 | 29.4 | 176.6 | -58.1 | -172.5 | 22.9 | 0 | 0 | 114.3 | Y1968 I1969 | Y1968-Q1971 PolarHBondContact O-N 2.88Å; I1969-Q1971 PolarHBondContact O-N 3.42Å |
| 1972 | N | 79 | Confident | 83.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -115.7 | -3.2 | -178.3 | 68.9 | 15.8 | 0 | 0 | 0 | 112.7 | T1925 T1929 L1949 T1966 Y1970 D1974 V1975 I1976 | T1925-N1972 VanDerWaalsContact CB-ND2 3.28Å; T1925-N1972 WeakPolarHBondContact CB-ND2 3.35Å; T1925-N1972 PolarHBondContact O-ND2 3.36Å; T1925-N1972 PolarHBondContact OG1-ND2 3.32Å; T1929-N1972 HydrophobicContact CG2-CB 3.73Å; L1949-N1972 HydrophobicContact CD2-CB 3.71Å; T1966-N1972 PolarHBondContact OG1-OD1 3.43Å; Y1970-N1972 PolarHBondContact O-N 2.84Å; N1972-D1974 PolarHBondContact O-N 3.44Å; N1972-V1975 WeakPolarHBondContact O-CB 3.38Å; N1972-V1975 PolarHBondContact O-N 3.31Å; N1972-I1976 WeakPolarHBondContact O-CG1 3.49Å; N1972-I1976 PolarHBondContact O-N 3.25Å; N1972-I1976 WeakPolarHBondContact OD1-CD1 3.47Å | ||
| 1973 | E | 86.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.1 | -39.7 | -177.4 | -70.7 | -176.6 | 141.6 | 0 | 0 | 111.9 | T1966 Y1968 V1975 I1976 G1977 T1998 S2034 R2037 L2038 | T1966-E1973 HydrophobicContact CG2-CG 4.13Å; Y1968-E1973 PolarHBondContact N-OE1 2.95Å; E1973-V1975 VanDerWaalsContact C-N 3.33Å; E1973-V1975 PolarHBondContact O-N 3.44Å; E1973-I1976 PolarHBondContact O-N 3.42Å; E1973-G1977 PolarHBondContact O-N 2.86Å; E1973-T1998 PolarHBondContact OE1-OG1 2.88Å; E1973-S2034 WeakPolarHBondContact OE1-CB 3.2Å; E1973-S2034 PolarHBondContact OE1-OG 3.39Å; E1973-S2034 WeakPolarHBondContact OE2-CA 3.29Å; E1973-S2034 WeakPolarHBondContact OE2-CB 3.05Å; E1973-S2034 PolarHBondContact OE2-OG 3.22Å; E1973-R2037 HydrophobicContact CB-CB 3.57Å; E1973-R2037 IonicContact OE2-CZ 2.74Å; E1973-R2037 IonicContact OE2-NE 3.22Å; E1973-R2037 PolarHBondContact OE2-NE 3.22Å; E1973-R2037 IonicContact OE2-NH2 2.8Å; E1973-R2037 PolarHBondContact OE2-NH2 2.72Å; E1973-L2038 HydrophobicContact CB-CD2 3.91Å; E1973-L2038 HydrophobicContact CB-CG 3.93Å; E1973-L2038 HydrophobicContact CG-CD2 4.05Å; E1973-L2038 HydrophobicContact CG-CG 4.08Å |
| 1974 | D | 84.2 | Confident | 83.8 | Confident | 73 Ų | 73 | 29.6 Ų | 29.6 | 39% | 0.39 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 175.8 | -63.5 | -85.7 | 0 | 0 | 0 | 113.5 | N1972 E1978 R2037 K2039 | N1972-D1974 PolarHBondContact O-N 3.44Å; D1974-E1978 WeakPolarHBondContact O-CG 3.33Å; D1974-E1978 PolarHBondContact O-N 2.91Å; D1974-R2037 WeakPolarHBondContact CA-O 3.27Å; D1974-R2037 WeakPolarHBondContact OD1-CG 3.34Å; D1974-R2037 VanDerWaalsContact OD2-CD 3.32Å; D1974-R2037 WeakPolarHBondContact OD2-CD 3.18Å; D1974-R2037 WeakPolarHBondContact OD2-CG 3.4Å; D1974-K2039 PolarHBondContact O-NZ 2.76Å |
| 1975 | V | 82.7 | Confident | 83.5 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 13% | 0.127 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77.6 | -38.7 | -180 | -178 | 0 | 0 | 0 | 0 | 110.6 | L1949 R1950 N1972 E1973 G1977 E1978 V1979 | L1949-V1975 HydrophobicContact CB-CG1 4.19Å; L1949-V1975 HydrophobicContact CD2-CB 4.06Å; L1949-V1975 HydrophobicContact CD2-CG1 3.94Å; L1949-V1975 HydrophobicContact CG-CG1 4.13Å; R1950-V1975 HydrophobicContact CG-CG1 3.54Å; N1972-V1975 WeakPolarHBondContact O-CB 3.38Å; N1972-V1975 PolarHBondContact O-N 3.31Å; E1973-V1975 VanDerWaalsContact C-N 3.33Å; E1973-V1975 PolarHBondContact O-N 3.44Å; V1975-G1977 VanDerWaalsContact C-N 3.29Å; V1975-G1977 PolarHBondContact O-N 2.91Å; V1975-E1978 WeakPolarHBondContact O-CB 3.35Å; V1975-E1978 PolarHBondContact O-N 3.25Å; V1975-V1979 WeakPolarHBondContact O-CG2 3.49Å; V1975-V1979 PolarHBondContact O-N 2.89Å |
| 1976 | I | 86.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 170.7 | -63.4 | 169 | 0 | 0 | 0 | 109.6 | T1925 L1949 L1953 I1964 T1966 N1972 E1973 E1978 V1979 L1980 L2038 | T1925-I1976 HydrophobicContact CG2-CD1 3.78Å; T1925-I1976 HydrophobicContact CG2-CG1 4.34Å; L1949-I1976 HydrophobicContact CD2-CG1 4.14Å; L1953-I1976 HydrophobicContact CD2-CB 4.35Å; L1953-I1976 HydrophobicContact CD2-CG1 4.19Å; L1953-I1976 HydrophobicContact CD2-CG2 4.09Å; I1964-I1976 HydrophobicContact CG2-CD1 4.41Å; I1964-I1976 HydrophobicContact CG2-CG2 4.14Å; T1966-I1976 HydrophobicContact CG2-CD1 3.77Å; N1972-I1976 WeakPolarHBondContact O-CG1 3.49Å; N1972-I1976 PolarHBondContact O-N 3.25Å; N1972-I1976 WeakPolarHBondContact OD1-CD1 3.47Å; E1973-I1976 PolarHBondContact O-N 3.42Å; I1976-E1978 PolarHBondContact O-N 2.95Å; I1976-V1979 PolarHBondContact O-N 3.47Å; I1976-L1980 HydrophobicContact CG2-CD1 3.92Å; I1976-L1980 HydrophobicContact CG2-CG 4.32Å; I1976-L1980 WeakPolarHBondContact O-CB 3.46Å; I1976-L1980 WeakPolarHBondContact O-CG 3.43Å; I1976-L1980 PolarHBondContact O-N 2.95Å; I1976-L2038 HydrophobicContact CB-CD2 4.01Å; I1976-L2038 HydrophobicContact CG2-CD2 3.83Å |
| 1977 | G | 89.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -36.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1973 V1975 Q1981 L2038 | E1973-G1977 PolarHBondContact O-N 2.86Å; V1975-G1977 VanDerWaalsContact C-N 3.29Å; V1975-G1977 PolarHBondContact O-N 2.91Å; G1977-Q1981 VanDerWaalsContact O-CB 3.23Å; G1977-Q1981 WeakPolarHBondContact O-CB 3.37Å; G1977-Q1981 WeakPolarHBondContact O-CG 3.26Å; G1977-Q1981 PolarHBondContact O-N 3.09Å; G1977-L2038 WeakPolarHBondContact CA-O 3.37Å |
| 1978 | E | 87.7 | Confident | 82.5 | Confident | 66 Ų | 66 | 43.3 Ų | 43.3 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 169.3 | -76.6 | 177.2 | 177.6 | 0 | 0 | 112.2 | R1950 D1974 V1975 I1976 Q1982 | R1950-E1978 IonicContact CZ-OE2 2.86Å; R1950-E1978 VanDerWaalsContact CZ-OE2 3.22Å; R1950-E1978 IonicContact NE-OE2 2.67Å; R1950-E1978 PolarHBondContact NE-OE2 2.92Å; R1950-E1978 IonicContact NH2-OE2 2.68Å; R1950-E1978 PolarHBondContact NH2-OE2 2.75Å; D1974-E1978 WeakPolarHBondContact O-CG 3.33Å; D1974-E1978 PolarHBondContact O-N 2.91Å; V1975-E1978 WeakPolarHBondContact O-CB 3.35Å; V1975-E1978 PolarHBondContact O-N 3.25Å; I1976-E1978 PolarHBondContact O-N 2.95Å; E1978-Q1982 WeakPolarHBondContact O-CB 3.46Å; E1978-Q1982 WeakPolarHBondContact O-CG 3.5Å; E1978-Q1982 PolarHBondContact O-N 3.15Å |
| 1979 | V | 86.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.2 | -46.8 | -178.8 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | R1950 L1953 R1954 L1957 V1975 I1976 Q1982 W1983 | R1950-V1979 HydrophobicContact CB-CG2 3.77Å; R1950-V1979 HydrophobicContact CG-CG2 3.52Å; L1953-V1979 HydrophobicContact CB-CG1 4.34Å; L1953-V1979 HydrophobicContact CD2-CB 3.97Å; L1953-V1979 HydrophobicContact CD2-CG1 3.98Å; L1953-V1979 HydrophobicContact CD2-CG2 4.31Å; L1953-V1979 HydrophobicContact CG-CB 4.47Å; L1953-V1979 HydrophobicContact CG-CG1 3.93Å; R1954-V1979 HydrophobicContact CB-CG1 4.33Å; L1957-V1979 HydrophobicContact CD1-CG1 3.85Å; V1975-V1979 WeakPolarHBondContact O-CG2 3.49Å; V1975-V1979 PolarHBondContact O-N 2.89Å; I1976-V1979 PolarHBondContact O-N 3.47Å; V1979-Q1982 PolarHBondContact O-N 3.34Å; V1979-W1983 VanDerWaalsContact O-CB 3.26Å; V1979-W1983 WeakPolarHBondContact O-CB 3.31Å; V1979-W1983 PolarHBondContact O-N 3.06Å |
| 1980 | L | 90.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 179.1 | -75.9 | 178.4 | 0 | 0 | 0 | 111.4 | L1957 I1964 I1976 Q1982 W1983 F1984 V1994 V1996 L2040 | L1957-L1980 HydrophobicContact CD1-CD2 4.2Å; L1957-L1980 HydrophobicContact CD2-CD2 4.48Å; I1964-L1980 HydrophobicContact CD1-CD1 4.15Å; I1964-L1980 HydrophobicContact CD1-CD2 3.74Å; I1964-L1980 HydrophobicContact CD1-CG 4.2Å; I1976-L1980 HydrophobicContact CG2-CD1 3.92Å; I1976-L1980 HydrophobicContact CG2-CG 4.32Å; I1976-L1980 WeakPolarHBondContact O-CB 3.46Å; I1976-L1980 WeakPolarHBondContact O-CG 3.43Å; I1976-L1980 PolarHBondContact O-N 2.95Å; L1980-Q1982 VanDerWaalsContact C-N 3.33Å; L1980-Q1982 PolarHBondContact O-N 3.13Å; L1980-W1983 PolarHBondContact O-N 3.18Å; L1980-F1984 HydrophobicContact CB-CE2 3.91Å; L1980-F1984 HydrophobicContact CB-CZ 3.96Å; L1980-F1984 HydrophobicContact CD2-CE1 4.19Å; L1980-F1984 HydrophobicContact CD2-CZ 3.93Å; L1980-F1984 HydrophobicContact CG-CZ 4.38Å; L1980-F1984 WeakPolarHBondContact O-CB 3.13Å; L1980-F1984 WeakPolarHBondContact O-CD2 3.49Å; L1980-F1984 WeakPolarHBondContact O-CG 3.34Å; L1980-F1984 PolarHBondContact O-N 3.4Å; L1980-V1994 HydrophobicContact CD2-CG1 4.2Å; L1980-V1994 HydrophobicContact CD2-CG2 4.15Å; L1980-V1996 HydrophobicContact CD1-CG2 4.05Å; L1980-L2040 HydrophobicContact CD1-CD1 4.35Å; L1980-L2040 HydrophobicContact CD1-CD2 4.18Å |
| 1981 | Q | 89.9 | Confident | 84.3 | Confident | 87 Ų | 87 | 44.7 Ų | 44.7 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 177 | -70.8 | -68.9 | -18 | 0 | 0 | 112.2 | G1977 A1985 K2039 | G1977-Q1981 VanDerWaalsContact O-CB 3.23Å; G1977-Q1981 WeakPolarHBondContact O-CB 3.37Å; G1977-Q1981 WeakPolarHBondContact O-CG 3.26Å; G1977-Q1981 PolarHBondContact O-N 3.09Å; Q1981-A1985 WeakPolarHBondContact O-CB 3.22Å; Q1981-A1985 PolarHBondContact O-N 2.84Å; Q1981-K2039 HydrophobicContact CG-CB 3.89Å; Q1981-K2039 HydrophobicContact CG-CD 4.25Å; Q1981-K2039 PolarHBondContact NE2-O 2.9Å |
| 1982 | Q | 87.2 | Confident | 84.9 | Confident | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 172.3 | -74.6 | 168.8 | 12.8 | 0 | 0 | 112.6 | E1978 V1979 L1980 A1985 S1986 | E1978-Q1982 WeakPolarHBondContact O-CB 3.46Å; E1978-Q1982 WeakPolarHBondContact O-CG 3.5Å; E1978-Q1982 PolarHBondContact O-N 3.15Å; V1979-Q1982 PolarHBondContact O-N 3.34Å; L1980-Q1982 VanDerWaalsContact C-N 3.33Å; L1980-Q1982 PolarHBondContact O-N 3.13Å; Q1982-A1985 PolarHBondContact O-N 2.65Å; Q1982-S1986 WeakPolarHBondContact O-CB 3.48Å; Q1982-S1986 PolarHBondContact O-N 2.93Å; Q1982-S1986 PolarHBondContact O-OG 3.23Å |
| 1983 | W | 85.5 | Confident | 85.1 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.2 | -41 | -178.7 | -170.3 | 74.8 | 0 | 0 | 0 | 111.6 | L1957 V1979 L1980 S1986 G1987 A1988 V1994 | L1957-W1983 HydrophobicContact CB-CD2 4.25Å; L1957-W1983 HydrophobicContact CB-CG 4.4Å; L1957-W1983 HydrophobicContact CB-CZ2 4.32Å; L1957-W1983 HydrophobicContact CD1-CB 4.29Å; L1957-W1983 HydrophobicContact CD1-CD2 4.15Å; L1957-W1983 HydrophobicContact CD1-CG 4.02Å; L1957-W1983 HydrophobicContact CD2-CD2 4.25Å; L1957-W1983 HydrophobicContact CD2-CE3 4.21Å; L1957-W1983 HydrophobicContact CD2-CH2 4.37Å; L1957-W1983 HydrophobicContact CD2-CZ2 4.4Å; L1957-W1983 HydrophobicContact CD2-CZ3 4.27Å; L1957-W1983 HydrophobicContact CG-CD2 4.46Å; V1979-W1983 VanDerWaalsContact O-CB 3.26Å; V1979-W1983 WeakPolarHBondContact O-CB 3.31Å; V1979-W1983 PolarHBondContact O-N 3.06Å; L1980-W1983 PolarHBondContact O-N 3.18Å; W1983-S1986 PolarHBondContact O-N 3.31Å; W1983-S1986 PolarHBondContact O-OG 3.42Å; W1983-G1987 PolarHBondContact O-N 3.25Å; W1983-A1988 HydrophobicContact CD2-CB 4.3Å; W1983-A1988 HydrophobicContact CG-CB 4.26Å; W1983-A1988 HydrophobicContact CZ2-CB 4.31Å; W1983-A1988 VanDerWaalsContact CZ2-O 3.25Å; W1983-A1988 WeakPolarHBondContact CZ2-O 3.27Å; W1983-A1988 PolarHBondContact O-N 2.82Å; W1983-V1994 HydrophobicContact CH2-CG1 4.49Å; W1983-V1994 HydrophobicContact CZ3-CG1 3.86Å |
| 1984 | F | 87.9 | Confident | 85.2 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 169.9 | -54.3 | -28.4 | 0 | 0 | 0 | 111.7 | L1980 S1986 G1987 G1989 K1990 R1991 V1994 L2040 | L1980-F1984 HydrophobicContact CB-CE2 3.91Å; L1980-F1984 HydrophobicContact CB-CZ 3.96Å; L1980-F1984 HydrophobicContact CD2-CE1 4.19Å; L1980-F1984 HydrophobicContact CD2-CZ 3.93Å; L1980-F1984 HydrophobicContact CG-CZ 4.38Å; L1980-F1984 WeakPolarHBondContact O-CB 3.13Å; L1980-F1984 WeakPolarHBondContact O-CD2 3.49Å; L1980-F1984 WeakPolarHBondContact O-CG 3.34Å; L1980-F1984 PolarHBondContact O-N 3.4Å; F1984-S1986 VanDerWaalsContact C-N 3.26Å; F1984-S1986 PolarHBondContact O-N 3.42Å; F1984-G1987 PolarHBondContact O-N 2.92Å; F1984-G1989 WeakPolarHBondContact CA-O 3.33Å; F1984-K1990 VanDerWaalsContact CD1-C 3.45Å; F1984-K1990 WeakPolarHBondContact CE1-O 3.41Å; F1984-R1991 HydrophobicContact CE2-CB 4.29Å; F1984-R1991 HydrophobicContact CZ-CB 4.25Å; F1984-V1994 HydrophobicContact CE1-CG2 4.05Å; F1984-V1994 HydrophobicContact CZ-CG2 3.79Å; F1984-L2040 HydrophobicContact CE2-CD2 4.17Å |
| 1985 | A | 82.8 | Confident | 85.6 | Confident | 90 Ų | 90 | 46.6 Ų | 46.6 | 74% | 0.744 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67 | -25.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1981 Q1982 G1987 | Q1981-A1985 WeakPolarHBondContact O-CB 3.22Å; Q1981-A1985 PolarHBondContact O-N 2.84Å; Q1982-A1985 PolarHBondContact O-N 2.65Å; A1985-G1987 PolarHBondContact O-N 3.13Å |
| 1986 | S | 82.4 | Confident | 86.1 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 58% | 0.58 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -3.5 | 171.5 | 71.4 | 0 | 0 | 0 | 0 | 114.2 | Q1982 W1983 F1984 A1988 | Q1982-S1986 WeakPolarHBondContact O-CB 3.48Å; Q1982-S1986 PolarHBondContact O-N 2.93Å; Q1982-S1986 PolarHBondContact O-OG 3.23Å; W1983-S1986 PolarHBondContact O-N 3.31Å; W1983-S1986 PolarHBondContact O-OG 3.42Å; F1984-S1986 VanDerWaalsContact C-N 3.26Å; F1984-S1986 PolarHBondContact O-N 3.42Å; S1986-A1988 PolarHBondContact O-N 3.12Å |
| 1987 | G | 79.5 | Confident | 86.5 | Confident | 65 Ų | 65 | 45.6 Ų | 45.6 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 5.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | W1983 F1984 A1985 G1989 | W1983-G1987 PolarHBondContact O-N 3.25Å; F1984-G1987 PolarHBondContact O-N 2.92Å; A1985-G1987 PolarHBondContact O-N 3.13Å; G1987-G1989 PolarHBondContact O-N 2.83Å |
| 1988 | A | 75.3 | Confident | 86.6 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -72.4 | -12.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | W1983 S1986 | W1983-A1988 HydrophobicContact CD2-CB 4.3Å; W1983-A1988 HydrophobicContact CG-CB 4.26Å; W1983-A1988 HydrophobicContact CZ2-CB 4.31Å; W1983-A1988 VanDerWaalsContact CZ2-O 3.25Å; W1983-A1988 WeakPolarHBondContact CZ2-O 3.27Å; W1983-A1988 PolarHBondContact O-N 2.82Å; S1986-A1988 PolarHBondContact O-N 3.12Å |
| 1989 | G | 78.7 | Confident | 86.7 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | 175.3 | -170 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1984 G1987 D1993 | F1984-G1989 WeakPolarHBondContact CA-O 3.33Å; G1987-G1989 PolarHBondContact O-N 2.83Å; G1989-D1993 VanDerWaalsContact CA-OD2 3.32Å; G1989-D1993 WeakPolarHBondContact CA-OD2 3.42Å | ||
| 1990 | K | 85.6 | Confident | 86.4 | Confident | 118 Ų | 118 | 43 Ų | 43 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | trans | -130.2 | 169 | -174 | -55.4 | 179.2 | -176.1 | 170.6 | 0 | 112.1 | F1984 E1992 D1993 | F1984-K1990 VanDerWaalsContact CD1-C 3.45Å; F1984-K1990 WeakPolarHBondContact CE1-O 3.41Å; K1990-E1992 HydrophobicContact CB-CB 4.33Å; K1990-E1992 HydrophobicContact CB-CG 4.41Å; K1990-E1992 HydrophobicContact CD-CG 4.41Å; K1990-E1992 WeakPolarHBondContact CD-OE1 3.29Å; K1990-E1992 IonicContact NZ-OE1 2.68Å; K1990-E1992 PolarHBondContact NZ-OE1 2.86Å; K1990-E1992 PolarHBondContact O-N 2.84Å; K1990-D1993 PolarHBondContact N-OD2 2.88Å; K1990-D1993 PolarHBondContact O-N 2.68Å; K1990-D1993 VanDerWaalsContact O-N 3.09Å | ||
| 1991 | R | 90 | Very high | 85.2 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -53.7 | -33.6 | 168.3 | 174.5 | 60.6 | -168.1 | 101 | -14.1 | 112.5 | F1984 D1993 V1994 Y2042 D2044 | F1984-R1991 HydrophobicContact CE2-CB 4.29Å; F1984-R1991 HydrophobicContact CZ-CB 4.25Å; R1991-D1993 PolarHBondContact O-N 3.45Å; R1991-V1994 PolarHBondContact NH1-O 3.32Å; R1991-Y2042 HydrophobicContact CG-CE1 4.24Å; R1991-Y2042 PolarHBondContact NH2-O 2.86Å; R1991-D2044 IonicContact CZ-OD2 2.78Å; R1991-D2044 VanDerWaalsContact CZ-OD2 3.29Å; R1991-D2044 IonicContact NH1-OD1 3.17Å; R1991-D2044 IonicContact NH1-OD2 3.27Å; R1991-D2044 PolarHBondContact NH1-OD2 2.77Å; R1991-D2044 IonicContact NH2-OD1 2.92Å; R1991-D2044 IonicContact NH2-OD2 3.97Å; R1991-D2044 PolarHBondContact NH2-OD2 3.17Å |
| 1992 | E | 84.7 | Confident | 83.5 | Confident | 124 Ų | 124 | 41.8 Ų | 41.8 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -60.8 | -34.1 | 179.9 | -54.5 | -179.4 | -97.8 | 0 | 0 | 112.5 | K1990 | K1990-E1992 HydrophobicContact CB-CB 4.33Å; K1990-E1992 HydrophobicContact CB-CG 4.41Å; K1990-E1992 HydrophobicContact CD-CG 4.41Å; K1990-E1992 WeakPolarHBondContact CD-OE1 3.29Å; K1990-E1992 IonicContact NZ-OE1 2.68Å; K1990-E1992 PolarHBondContact NZ-OE1 2.86Å; K1990-E1992 PolarHBondContact O-N 2.84Å |
| 1993 | D | 84.6 | Confident | 81.5 | Confident | 75 Ų | 75 | 40.5 Ų | 40.5 | 40% | 0.401 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -85.4 | -16.6 | -167.4 | -48.7 | -27.9 | 0 | 0 | 0 | 113 | R1962 G1989 K1990 R1991 | R1962-D1993 VanDerWaalsContact CB-O 3.3Å; R1962-D1993 WeakPolarHBondContact CB-O 3.37Å; R1962-D1993 VanDerWaalsContact CD-O 3.23Å; R1962-D1993 WeakPolarHBondContact CD-O 3.27Å; R1962-D1993 WeakPolarHBondContact CG-O 3.13Å; G1989-D1993 VanDerWaalsContact CA-OD2 3.32Å; G1989-D1993 WeakPolarHBondContact CA-OD2 3.42Å; K1990-D1993 PolarHBondContact N-OD2 2.88Å; K1990-D1993 PolarHBondContact O-N 2.68Å; K1990-D1993 VanDerWaalsContact O-N 3.09Å; R1991-D1993 PolarHBondContact O-N 3.45Å |
| 1994 | V | 88.5 | Confident | 79.2 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | trans | -108.2 | 136.6 | -175.4 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | L1957 R1962 L1980 W1983 F1984 R1991 V1996 | L1957-V1994 HydrophobicContact CD2-CG1 3.87Å; R1962-V1994 CarbonylContact O-C 3.54Å; R1962-V1994 VanDerWaalsContact O-CA 3.32Å; R1962-V1994 WeakPolarHBondContact O-CA 3.45Å; L1980-V1994 HydrophobicContact CD2-CG1 4.2Å; L1980-V1994 HydrophobicContact CD2-CG2 4.15Å; W1983-V1994 HydrophobicContact CH2-CG1 4.49Å; W1983-V1994 HydrophobicContact CZ3-CG1 3.86Å; F1984-V1994 HydrophobicContact CE1-CG2 4.05Å; F1984-V1994 HydrophobicContact CZ-CG2 3.79Å; R1991-V1994 PolarHBondContact NH1-O 3.32Å; V1994-V1996 HydrophobicContact CB-CG2 4.44Å; V1994-V1996 HydrophobicContact CG2-CG2 4.08Å | ||
| 1995 | F | 91.7 | Very high | 76.8 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 101.9 | 176.8 | -169.6 | -80.9 | 0 | 0 | 0 | 109.5 | L1912 V1916 L1917 M1918 P1919 R1962 H1963 I1964 V1997 D2044 L2045 | L1912-F1995 HydrophobicContact CD1-CE2 4.42Å; L1912-F1995 HydrophobicContact CD1-CZ 4.03Å; V1916-F1995 HydrophobicContact CG1-CE2 3.88Å; L1917-F1995 WeakPolarHBondContact O-CD2 3.36Å; L1917-F1995 WeakPolarHBondContact O-CE2 3.19Å; M1918-F1995 HydrophobicContact CB-CD2 4.21Å; M1918-F1995 HydrophobicContact CB-CE1 4.16Å; M1918-F1995 HydrophobicContact CB-CE2 3.69Å; M1918-F1995 HydrophobicContact CB-CZ 3.68Å; M1918-F1995 HydrophobicContact CE-CD1 4.49Å; M1918-F1995 HydrophobicContact CE-CE1 3.76Å; M1918-F1995 HydrophobicContact CE-CZ 4.38Å; M1918-F1995 HydrophobicContact CG-CD1 3.94Å; M1918-F1995 HydrophobicContact CG-CD2 4.39Å; M1918-F1995 HydrophobicContact CG-CE1 3.48Å; M1918-F1995 VanDerWaalsContact CG-CE1 3.48Å; M1918-F1995 HydrophobicContact CG-CE2 3.97Å; M1918-F1995 HydrophobicContact CG-CG 4.38Å; M1918-F1995 HydrophobicContact CG-CZ 3.51Å; M1918-F1995 HydrophobicContact SD-CE1 3.55Å; M1918-F1995 VanDerWaalsContact SD-CE1 3.55Å; M1918-F1995 HydrophobicContact SD-CZ 3.56Å; M1918-F1995 VanDerWaalsContact SD-CZ 3.56Å; P1919-F1995 VanDerWaalsContact CD-CB 3.48Å; P1919-F1995 HydrophobicContact CG-CB 4.06Å; R1962-F1995 PolarHBondContact O-N 2.87Å; H1963-F1995 CarbonylContact C-O 3.55Å; H1963-F1995 WeakPolarHBondContact CA-O 3.32Å; H1963-F1995 HydrophobicContact CB-CB 4.3Å; H1963-F1995 AromaticContact CD2-CD1 3.88Å; I1964-F1995 PolarHBondContact N-O 3.01Å; F1995-V1997 HydrophobicContact CD1-CG2 3.85Å; F1995-V1997 HydrophobicContact CE1-CG2 3.68Å; F1995-D2044 HydrophobicContact CD1-CB 4.06Å; F1995-D2044 HydrophobicContact CD2-CB 3.52Å; F1995-D2044 HydrophobicContact CE1-CB 4.09Å; F1995-D2044 HydrophobicContact CE2-CB 3.58Å; F1995-D2044 HydrophobicContact CG-CB 3.77Å; F1995-D2044 HydrophobicContact CZ-CB 3.86Å; F1995-L2045 HydrophobicContact CE1-CB 3.75Å; F1995-L2045 HydrophobicContact CE1-CD2 4.24Å; F1995-L2045 HydrophobicContact CZ-CB 3.8Å; F1995-L2045 HydrophobicContact CZ-CD2 4.46Å |
| 1996 | V | 93.6 | Very high | 74.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.4 | -173.9 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | L1980 V1994 L2038 L2040 V2043 D2044 L2045 | L1980-V1996 HydrophobicContact CD1-CG2 4.05Å; V1994-V1996 HydrophobicContact CB-CG2 4.44Å; V1994-V1996 HydrophobicContact CG2-CG2 4.08Å; V1996-L2038 HydrophobicContact CG1-CD1 4.1Å; V1996-L2038 HydrophobicContact CG1-CD2 4.42Å; V1996-L2040 HydrophobicContact CB-CD1 4.08Å; V1996-L2040 HydrophobicContact CG1-CD1 3.95Å; V1996-L2040 HydrophobicContact CG2-CD1 3.9Å; V1996-V2043 HydrophobicContact CG1-CG1 4.43Å; V1996-D2044 PolarHBondContact N-OD2 3.04Å; V1996-D2044 PolarHBondContact O-N 2.92Å; V1996-L2045 PolarHBondContact O-N 2.86Å |
| 1997 | V | 93.5 | Very high | 72.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.1 | 176.9 | -167.8 | 0 | 0 | 0 | 0 | 110 | M1918 H1963 I1964 T1966 F1995 L2045 L2047 | M1918-V1997 HydrophobicContact CE-CG2 4.38Å; H1963-V1997 WeakPolarHBondContact NE2-CG2 3.35Å; I1964-V1997 PolarHBondContact O-N 2.86Å; T1966-V1997 CarbonylContact C-O 3.43Å; T1966-V1997 VanDerWaalsContact CG2-O 3.24Å; T1966-V1997 WeakPolarHBondContact CG2-O 3.47Å; T1966-V1997 PolarHBondContact N-O 2.66Å; F1995-V1997 HydrophobicContact CD1-CG2 3.85Å; F1995-V1997 HydrophobicContact CE1-CG2 3.68Å; V1997-L2045 WeakPolarHBondContact CA-O 3.27Å; V1997-L2045 HydrophobicContact CG1-CB 4.19Å; V1997-L2045 HydrophobicContact CG1-CD2 4.11Å; V1997-L2045 HydrophobicContact CG1-CG 4.12Å; V1997-L2045 HydrophobicContact CG2-CB 4.19Å; V1997-L2045 HydrophobicContact CG2-CD2 4.28Å; V1997-L2047 HydrophobicContact CG1-CD1 3.72Å; V1997-L2047 HydrophobicContact CG1-CG 4.04Å |
| 1998 | T | 92.5 | Very high | 70 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 171.1 | 163.7 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | T1966 A1967 Y1968 E1973 L2031 L2038 V2043 L2045 Y2046 L2047 | T1966-T1998 WeakPolarHBondContact O-CA 3.33Å; A1967-T1998 WeakPolarHBondContact CA-OG1 3.37Å; Y1968-T1998 PolarHBondContact N-OG1 3.32Å; E1973-T1998 PolarHBondContact OE1-OG1 2.88Å; T1998-L2031 HydrophobicContact CG2-CD1 4.27Å; T1998-L2038 HydrophobicContact CG2-CD1 4.24Å; T1998-V2043 HydrophobicContact CG2-CB 4.39Å; T1998-V2043 HydrophobicContact CG2-CG1 3.81Å; T1998-V2043 HydrophobicContact CG2-CG2 4.2Å; T1998-L2045 PolarHBondContact N-O 2.66Å; T1998-Y2046 HydrophobicContact CG2-CD2 3.82Å; T1998-Y2046 HydrophobicContact CG2-CE2 4Å; T1998-Y2046 WeakPolarHBondContact O-CA 3.33Å; T1998-Y2046 WeakPolarHBondContact O-CD2 3.28Å; T1998-L2047 PolarHBondContact O-N 3.18Å |
| 1999 | K | 90 | Very high | 67.9 | Low | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.9 | -164.5 | -37 | -178.6 | -173.7 | 148 | 0 | 110.5 | D1965 T1966 A1967 Y1970 L2047 H2049 | D1965-K1999 IonicContact OD1-NZ 2.71Å; D1965-K1999 PolarHBondContact OD1-NZ 3.32Å; D1965-K1999 WeakPolarHBondContact OD2-CE 3.31Å; D1965-K1999 IonicContact OD2-NZ 2.67Å; D1965-K1999 PolarHBondContact OD2-NZ 3.17Å; T1966-K1999 WeakPolarHBondContact O-CE 3.25Å; T1966-K1999 WeakPolarHBondContact O-CG 3.36Å; A1967-K1999 HydrophobicContact CB-CB 3.71Å; A1967-K1999 HydrophobicContact CB-CD 3.92Å; A1967-K1999 HydrophobicContact CB-CG 3.71Å; Y1970-K1999 PolarHBondContact OH-NZ 3.15Å; K1999-L2047 CarbonylContact C-O 3.55Å; K1999-L2047 WeakPolarHBondContact CA-O 3.41Å; K1999-L2047 HydrophobicContact CB-CB 4.24Å; K1999-L2047 WeakPolarHBondContact CB-O 3.45Å; K1999-L2047 HydrophobicContact CD-CB 4.47Å; K1999-L2047 HydrophobicContact CD-CD1 4.17Å; K1999-L2047 HydrophobicContact CG-CB 4Å; K1999-L2047 HydrophobicContact CG-CD1 4.26Å; K1999-H2049 HydrophobicContact CB-CB 3.89Å |
| 2000 | V | 80.1 | Confident | 65.7 | Low | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 134.8 | -172.3 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | L2002 V2027 Y2046 L2047 M2057 | V2000-L2002 PolarHBondContact O-N 3.11Å; V2000-V2027 HydrophobicContact CG2-CG1 4.34Å; V2000-Y2046 HydrophobicContact CG2-CD1 4.27Å; V2000-Y2046 HydrophobicContact CG2-CE1 3.57Å; V2000-Y2046 HydrophobicContact CG2-CE2 4.27Å; V2000-L2047 WeakPolarHBondContact CG2-O 3.4Å; V2000-L2047 PolarHBondContact N-O 2.91Å; V2000-M2057 HydrophobicContact CG2-CE 4.3Å; V2000-M2057 HydrophobicContact CG2-SD 3.56Å; V2000-M2057 VanDerWaalsContact CG2-SD 3.56Å |
| 2001 | L | 64.4 | Low | 63.1 | Low | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 116.3 | 169.3 | 167 | 42.8 | 0 | 0 | 0 | 110.4 | Y1968 L2003 R2022 S2030 | Y1968-L2001 HydrophobicContact CD1-CB 3.64Å; Y1968-L2001 HydrophobicContact CD1-CD1 3.38Å; Y1968-L2001 HydrophobicContact CD1-CD2 3.95Å; Y1968-L2001 HydrophobicContact CD1-CG 3.77Å; Y1968-L2001 HydrophobicContact CE1-CB 4.23Å; Y1968-L2001 HydrophobicContact CE1-CD1 3.21Å; Y1968-L2001 HydrophobicContact CE1-CD2 3.69Å; Y1968-L2001 HydrophobicContact CE1-CG 3.82Å; Y1968-L2001 HydrophobicContact CE2-CD2 4.48Å; Y1968-L2001 HydrophobicContact CG-CB 4.02Å; Y1968-L2001 HydrophobicContact CG-CD1 4.49Å; Y1968-L2001 HydrophobicContact CG-CD2 4.43Å; Y1968-L2001 HydrophobicContact CG-CG 4.48Å; L2001-L2003 VanDerWaalsContact CD1-O 3.24Å; L2001-L2003 WeakPolarHBondContact CD1-O 3.48Å; L2001-R2022 PolarHBondContact O-NH1 2.66Å; L2001-S2030 WeakPolarHBondContact CB-OG 3.29Å; L2001-S2030 PolarHBondContact N-OG 2.91Å |
| 2002 | L | 54.7 | Low | 59.9 | Low | 44 Ų | 44 | 57.2 Ų | 57.2 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 123.9 | 169 | -76.2 | 170 | 0 | 0 | 0 | 110 | V2000 H2049 S2050 Q2052 | V2000-L2002 PolarHBondContact O-N 3.11Å; L2002-H2049 HydrophobicContact CD1-CB 4.39Å; L2002-S2050 VanDerWaalsContact CD1-OG 3.26Å; L2002-S2050 WeakPolarHBondContact CD1-OG 3.35Å; L2002-Q2052 HydrophobicContact CD2-CB 4.02Å |
| 2003 | L | 45 | Very low | 57.2 | Low | 59 Ų | 59 | 58.8 Ų | 58.8 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | trans | 64.8 | 137.9 | 179.7 | -64.8 | 162.4 | 0 | 0 | 0 | 117.1 | L2001 I2005 W2019 | L2001-L2003 VanDerWaalsContact CD1-O 3.24Å; L2001-L2003 WeakPolarHBondContact CD1-O 3.48Å; L2003-I2005 HydrophobicContact CB-CD1 4.25Å; L2003-I2005 HydrophobicContact CB-CG1 3.87Å; L2003-I2005 HydrophobicContact CD1-CD1 4.34Å; L2003-I2005 HydrophobicContact CD1-CG1 4.47Å; L2003-I2005 PolarHBondContact O-N 3.31Å; L2003-W2019 HydrophobicContact CD1-CE3 4.42Å; L2003-W2019 HydrophobicContact CD1-CH2 4Å; L2003-W2019 HydrophobicContact CD1-CZ3 3.81Å; L2003-W2019 HydrophobicContact CG-CZ3 4.31Å | ||
| 2004 | S | 37.3 | Very low | 54.4 | Low | 98 Ų | 98 | 63.2 Ų | 63.2 | 69% | 0.685 | 34% | 0.34 | S | S | * | . | trans | -75.3 | 72.3 | 158.9 | 54 | 0 | 0 | 0 | 0 | 109.7 | D2006 | S2004-D2006 PolarHBondContact O-N 3.29Š| ||
| 2005 | I | 39 | Very low | 51.4 | Low | 76 Ų | 76 | 65.8 Ų | 65.8 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | trans | -68.9 | 98.9 | 173.4 | -78.7 | 170.7 | 0 | 0 | 0 | 108.8 | L2003 K2007 C2009 L2010 | L2003-I2005 HydrophobicContact CB-CD1 4.25Å; L2003-I2005 HydrophobicContact CB-CG1 3.87Å; L2003-I2005 HydrophobicContact CD1-CD1 4.34Å; L2003-I2005 HydrophobicContact CD1-CG1 4.47Å; L2003-I2005 PolarHBondContact O-N 3.31Å; I2005-K2007 PolarHBondContact O-N 3.45Å; I2005-C2009 HydrophobicContact CD1-CB 4.49Å; I2005-C2009 HydrophobicContact CG1-CB 4.18Å; I2005-C2009 HydrophobicContact CG2-CB 3.84Å; I2005-L2010 HydrophobicContact CG2-CG 4.42Å | ||
| 2006 | D | 34.5 | Very low | 48.3 | Very low | 76 Ų | 76 | 73.2 Ų | 73.2 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | trans | -47 | 132.5 | 150.1 | 175.7 | -14.1 | 0 | 0 | 0 | 108.1 | S2004 R2008 C2009 | S2004-D2006 PolarHBondContact O-N 3.29Å; D2006-R2008 PolarHBondContact O-N 2.84Å; D2006-R2008 PolarHBondContact OD1-N 3.37Å; D2006-R2008 IonicContact OD1-NE 3.68Å; D2006-R2008 IonicContact OD2-CZ 3.46Å; D2006-R2008 IonicContact OD2-NE 2.77Å; D2006-R2008 PolarHBondContact OD2-NE 3.46Å; D2006-R2008 IonicContact OD2-NH2 2.65Å; D2006-R2008 PolarHBondContact OD2-NH2 2.86Å; D2006-C2009 PolarHBondContact O-N 3.46Å | ||
| 2007 | K | 33.3 | Very low | 45.3 | Very low | 174 Ų | 174 | 77.8 Ų | 77.8 | 76% | 0.757 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -49.3 | -21.5 | -169.6 | -63.9 | 179.1 | 179.5 | 176.9 | 0 | 114.3 | I2005 C2009 L2010 | I2005-K2007 PolarHBondContact O-N 3.45Å; K2007-C2009 VanDerWaalsContact C-N 3.31Å; K2007-C2009 PolarHBondContact O-N 2.59Å; K2007-L2010 PolarHBondContact O-N 3.45Å |
| 2008 | R | 33.4 | Very low | 42.2 | Very low | 186 Ų | 186 | 81.7 Ų | 81.7 | 70% | 0.702 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -54.6 | -36.9 | 174 | -65.4 | -174.6 | -83.7 | 177.9 | -2.8 | 114 | D2006 L2010 T2011 | D2006-R2008 PolarHBondContact O-N 2.84Å; D2006-R2008 PolarHBondContact OD1-N 3.37Å; D2006-R2008 IonicContact OD1-NE 3.68Å; D2006-R2008 IonicContact OD2-CZ 3.46Å; D2006-R2008 IonicContact OD2-NE 2.77Å; D2006-R2008 PolarHBondContact OD2-NE 3.46Å; D2006-R2008 IonicContact OD2-NH2 2.65Å; D2006-R2008 PolarHBondContact OD2-NH2 2.86Å; R2008-L2010 VanDerWaalsContact C-N 3.26Å; R2008-L2010 PolarHBondContact O-N 2.95Å; R2008-T2011 PolarHBondContact O-N 2.7Å; R2008-T2011 PolarHBondContact O-OG1 3.47Å |
| 2009 | C | 31.3 | Very low | 39.3 | Very low | 21 Ų | 21 | 88.8 Ų | 88.8 | 14% | 0.142 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -83.8 | 11.7 | 179.4 | -49.4 | 0 | 0 | 0 | 0 | 114.7 | I2005 D2006 K2007 C2015 | I2005-C2009 HydrophobicContact CD1-CB 4.49Å; I2005-C2009 HydrophobicContact CG1-CB 4.18Å; I2005-C2009 HydrophobicContact CG2-CB 3.84Å; D2006-C2009 PolarHBondContact O-N 3.46Å; K2007-C2009 VanDerWaalsContact C-N 3.31Å; K2007-C2009 PolarHBondContact O-N 2.59Å; C2009-C2015 HydrophobicContact CB-CB 3.66Å; C2009-C2015 WeakPolarHBondContact CB-SG 3.25Å; C2009-C2015 WeakPolarHBondContact SG-CB 3.38Å; C2009-C2015 CovalentContact SG-SG 2.03Å; C2009-C2015 PolarHBondContact SG-SG 3.19Å |
| 2010 | L | 32.3 | Very low | 36.6 | Very low | 53 Ų | 53 | 95.9 Ų | 95.9 | 28% | 0.277 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -82.7 | -3.7 | 162.4 | -68.6 | 169.5 | 0 | 0 | 0 | 112 | L1934 I2005 K2007 R2008 | L1934-L2010 WeakPolarHBondContact CA-O 3.41Å; L1934-L2010 WeakPolarHBondContact CB-O 3.25Å; L1934-L2010 HydrophobicContact CD2-CB 4.12Å; L1934-L2010 HydrophobicContact CD2-CD2 3.76Å; L1934-L2010 WeakPolarHBondContact CD2-O 2.95Å; I2005-L2010 HydrophobicContact CG2-CG 4.42Å; K2007-L2010 PolarHBondContact O-N 3.45Å; R2008-L2010 VanDerWaalsContact C-N 3.26Å; R2008-L2010 PolarHBondContact O-N 2.95Å |
| 2011 | T | 30 | Very low | 34.4 | Very low | 84 Ų | 84 | 99.4 Ų | 99.4 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -89.4 | 150.5 | 167.9 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | R2008 M2013 | R2008-T2011 PolarHBondContact O-N 2.7Å; R2008-T2011 PolarHBondContact O-OG1 3.47Å; T2011-M2013 PolarHBondContact O-N 2.73Å |
| 2012 | G | 24.9 | Very low | 33.7 | Very low | 91 Ų | 91 | 101.8 Ų | 101.8 | 94% | 0.938 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -67.4 | 17.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 2013 | M | 26.6 | Very low | 33.5 | Very low | 158 Ų | 158 | 108 Ų | 108 | 78% | 0.778 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -73.1 | 140.4 | 166.2 | -78.2 | -172.6 | 165.2 | 0 | 0 | 110.3 | T2011 C2015 | T2011-M2013 PolarHBondContact O-N 2.73Å; M2013-C2015 VanDerWaalsContact C-N 3.33Å; M2013-C2015 PolarHBondContact O-N 3.5Å |
| 2014 | Q | 26 | Very low | 34.5 | Very low | 168 Ų | 168 | 111.8 Ų | 111.8 | 79% | 0.785 | 56% | 0.564 | S | S | * | * | trans | -61.9 | 96.1 | 161.6 | -69.9 | -177.8 | -5.4 | 0 | 0 | 108.9 | Q2016 | Q2014-Q2016 PolarHBondContact O-N 3.45Š| ||
| 2015 | C | 25.6 | Very low | 35.9 | Very low | 56 Ų | 56 | 111.9 Ų | 111.9 | 38% | 0.378 | 56% | 0.557 | S | S | . | * | trans | -67.1 | 89.1 | 167 | -93.6 | 0 | 0 | 0 | 0 | 109.4 | C2009 M2013 L2017 | C2009-C2015 HydrophobicContact CB-CB 3.66Å; C2009-C2015 WeakPolarHBondContact CB-SG 3.25Å; C2009-C2015 WeakPolarHBondContact SG-CB 3.38Å; C2009-C2015 CovalentContact SG-SG 2.03Å; C2009-C2015 PolarHBondContact SG-SG 3.19Å; M2013-C2015 VanDerWaalsContact C-N 3.33Å; M2013-C2015 PolarHBondContact O-N 3.5Å; C2015-L2017 HydrophobicContact CB-CG 4.44Å; C2015-L2017 PolarHBondContact O-N 2.72Å | ||
| 2016 | Q | 27.1 | Very low | 37.5 | Very low | 162 Ų | 162 | 111 Ų | 111 | 76% | 0.757 | 55% | 0.551 | S | S | * | * | trans | -69.3 | 40.5 | 161.5 | -60.9 | -173 | 1.9 | 0 | 0 | 111.2 | Q2014 | Q2014-Q2016 PolarHBondContact O-N 3.45Š| ||
| 2017 | L | 30.2 | Very low | 39.6 | Very low | 97 Ų | 97 | 107.6 Ų | 107.6 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | trans | -65.5 | 129 | 162.1 | -72.7 | 179 | 0 | 0 | 0 | 106.6 | C2015 W2019 | C2015-L2017 HydrophobicContact CB-CG 4.44Å; C2015-L2017 PolarHBondContact O-N 2.72Å; L2017-W2019 PolarHBondContact O-N 2.65Å | ||
| 2018 | P | 29.3 | Very low | 41.9 | Very low | 81 Ų | 81 | 100.8 Ų | 100.8 | 53% | 0.526 | 50% | 0.504 | S | S | . | . | trans | -62 | 139.8 | -166.7 | -21.2 | 31.1 | 0 | 0 | 0 | 111.5 | H2020 | P2018-H2020 PolarHBondContact O-CD2 2.7Å; P2018-H2020 VanDerWaalsContact O-CD2 3.29Å; P2018-H2020 PolarHBondContact O-N 3.09Å | ||
| 2019 | W | 29.8 | Very low | 44.2 | Very low | 149 Ų | 149 | 98.1 Ų | 98.1 | 56% | 0.564 | 50% | 0.497 | S | S | * | . | trans | -73.4 | 58.8 | -178.8 | -64.7 | 90.7 | 0 | 0 | 0 | 112.2 | L2003 L2017 S2021 Q2052 R2053 | L2003-W2019 HydrophobicContact CD1-CE3 4.42Å; L2003-W2019 HydrophobicContact CD1-CH2 4Å; L2003-W2019 HydrophobicContact CD1-CZ3 3.81Å; L2003-W2019 HydrophobicContact CG-CZ3 4.31Å; L2017-W2019 PolarHBondContact O-N 2.65Å; W2019-S2021 PolarHBondContact O-N 3.4Å; W2019-Q2052 VanDerWaalsContact CZ3-OE1 3.24Å; W2019-R2053 PolarHBondContact O-NH1 2.9Å | ||
| 2020 | H | 33.8 | Very low | 46.7 | Very low | 151 Ų | 151 | 97.2 Ų | 97.2 | 70% | 0.699 | 49% | 0.491 | S | S | * | . | trans | -55.9 | 135 | 174.6 | -67.8 | -66.5 | 0 | 0 | 0 | 109.7 | P2018 R2022 | P2018-H2020 PolarHBondContact O-CD2 2.7Å; P2018-H2020 VanDerWaalsContact O-CD2 3.29Å; P2018-H2020 PolarHBondContact O-N 3.09Å; H2020-R2022 PolarHBondContact O-N 3.31Å; H2020-R2022 VanDerWaalsContact O-N 3.14Å | ||
| 2021 | S | 34.8 | Very low | 49.4 | Very low | 85 Ų | 85 | 94.7 Ų | 94.7 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | trans | -63.3 | 114 | 179.2 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | W2019 R2023 | W2019-S2021 PolarHBondContact O-N 3.4Å; S2021-R2023 PolarHBondContact O-N 2.78Å | ||
| 2022 | R | 48 | Very low | 52.2 | Low | 69 Ų | 69 | 96.6 Ų | 96.6 | 26% | 0.26 | 48% | 0.476 | S | S | . | . | trans | -57.3 | 136.7 | 163.4 | -73.9 | -158.4 | 134.1 | -169.3 | -8.9 | 109.6 | L2001 H2020 E2026 | L2001-R2022 PolarHBondContact O-NH1 2.66Å; H2020-R2022 PolarHBondContact O-N 3.31Å; H2020-R2022 VanDerWaalsContact O-N 3.14Å; R2022-E2026 WeakPolarHBondContact CA-OE1 3.47Å; R2022-E2026 HydrophobicContact CB-CB 4.26Å; R2022-E2026 IonicContact CZ-OE2 2.92Å; R2022-E2026 IonicContact NE-OE2 3.29Å; R2022-E2026 PolarHBondContact NE-OE2 2.89Å; R2022-E2026 IonicContact NH2-OE2 3.53Å; R2022-E2026 PolarHBondContact NH2-OE2 2.83Å | ||
| 2023 | R | 52.5 | Low | 55.1 | Low | 175 Ų | 175 | 95.3 Ų | 95.3 | 66% | 0.66 | 45% | 0.445 | S | S | * | . | trans | -79.3 | 161.9 | 179 | -60.8 | -174.9 | 175.8 | -171.7 | -1.4 | 110.8 | S2021 D2025 E2026 | S2021-R2023 PolarHBondContact O-N 2.78Å; R2023-D2025 VanDerWaalsContact CB-OD1 3.24Å; R2023-D2025 WeakPolarHBondContact CB-OD1 3.27Å; R2023-D2025 WeakPolarHBondContact CB-OD2 3.45Å; R2023-D2025 PolarHBondContact O-N 3.22Å; R2023-D2025 VanDerWaalsContact O-N 3.15Å; R2023-E2026 PolarHBondContact N-OE1 3.19Å; R2023-E2026 VanDerWaalsContact N-OE1 3.08Å; R2023-E2026 PolarHBondContact O-N 3.35Å | ||
| 2024 | R | 65.3 | Low | 58.1 | Low | 138 Ų | 138 | 87.8 Ų | 87.8 | 52% | 0.521 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -52.3 | -37.2 | 178.7 | -166 | 176.1 | 178 | 141.4 | 6.8 | 111.9 | A2055 D2059 | R2024-A2055 WeakPolarHBondContact CA-O 3.44Å; R2024-D2059 WeakPolarHBondContact CD-OD2 3.39Å; R2024-D2059 WeakPolarHBondContact CG-OD2 3.34Å; R2024-D2059 IonicContact CZ-OD1 3.32Å; R2024-D2059 VanDerWaalsContact CZ-OD1 3.28Å; R2024-D2059 IonicContact CZ-OD2 2.72Å; R2024-D2059 VanDerWaalsContact NE-CG 3.26Å; R2024-D2059 IonicContact NE-OD1 3.86Å; R2024-D2059 PolarHBondContact NE-OD1 3.02Å; R2024-D2059 IonicContact NE-OD2 3.84Å; R2024-D2059 PolarHBondContact NE-OD2 3.26Å; R2024-D2059 IonicContact NH2-OD1 2.81Å; R2024-D2059 PolarHBondContact NH2-OD1 3.34Å; R2024-D2059 IonicContact NH2-OD2 2.7Å |
| 2025 | D | 67.1 | Low | 61.3 | Low | 100 Ų | 100 | 80.4 Ų | 80.4 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.7 | -24.2 | 175.5 | 29 | -61.1 | 0 | 0 | 0 | 115.4 | R2023 K2029 | R2023-D2025 VanDerWaalsContact CB-OD1 3.24Å; R2023-D2025 WeakPolarHBondContact CB-OD1 3.27Å; R2023-D2025 WeakPolarHBondContact CB-OD2 3.45Å; R2023-D2025 PolarHBondContact O-N 3.22Å; R2023-D2025 VanDerWaalsContact O-N 3.15Å; D2025-K2029 PolarHBondContact O-N 3.38Å |
| 2026 | E | 71.2 | Confident | 64.3 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -78.8 | -25.7 | 179.6 | -76.8 | -178 | -95.1 | 0 | 0 | 113.9 | R2022 R2023 K2029 S2030 | R2022-E2026 WeakPolarHBondContact CA-OE1 3.47Å; R2022-E2026 HydrophobicContact CB-CB 4.26Å; R2022-E2026 IonicContact CZ-OE2 2.92Å; R2022-E2026 IonicContact NE-OE2 3.29Å; R2022-E2026 PolarHBondContact NE-OE2 2.89Å; R2022-E2026 IonicContact NH2-OE2 3.53Å; R2022-E2026 PolarHBondContact NH2-OE2 2.83Å; R2023-E2026 PolarHBondContact N-OE1 3.19Å; R2023-E2026 VanDerWaalsContact N-OE1 3.08Å; R2023-E2026 PolarHBondContact O-N 3.35Å; E2026-K2029 PolarHBondContact O-N 2.98Å; E2026-S2030 PolarHBondContact O-N 3.05Å |
| 2027 | V | 78.4 | Confident | 67.4 | Low | 5 Ų | 5 | 75.6 Ų | 75.6 | 3% | 0.03 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | V2000 S2030 L2031 Y2046 A2055 M2057 V2060 | V2000-V2027 HydrophobicContact CG2-CG1 4.34Å; V2027-S2030 PolarHBondContact O-N 3.29Å; V2027-L2031 PolarHBondContact O-N 3.41Å; V2027-L2031 VanDerWaalsContact O-N 3.11Å; V2027-Y2046 HydrophobicContact CG1-CE1 3.93Å; V2027-A2055 VanDerWaalsContact CG2-O 3.23Å; V2027-A2055 WeakPolarHBondContact CG2-O 3.42Å; V2027-M2057 HydrophobicContact CG1-CG 4.42Å; V2027-M2057 HydrophobicContact CG1-SD 3.68Å; V2027-V2060 HydrophobicContact CG1-CG1 4.3Å; V2027-V2060 HydrophobicContact CG1-CG2 4.34Å |
| 2028 | E | 82.8 | Confident | 70.3 | Confident | 31 Ų | 31 | 71 Ų | 71 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 173.6 | 179.9 | 173.8 | -178 | 0 | 0 | 112.4 | S2030 L2031 R2032 V2060 K2063 L2065 | E2028-S2030 PolarHBondContact O-N 3.08Å; E2028-L2031 PolarHBondContact O-N 3.22Å; E2028-R2032 HydrophobicContact CG-CG 4.33Å; E2028-R2032 WeakPolarHBondContact O-CG 3.41Å; E2028-R2032 PolarHBondContact O-N 3.37Å; E2028-R2032 IonicContact OE1-CZ 2.74Å; E2028-R2032 VanDerWaalsContact OE1-CZ 3.27Å; E2028-R2032 IonicContact OE1-NE 2.64Å; E2028-R2032 PolarHBondContact OE1-NE 2.87Å; E2028-R2032 IonicContact OE1-NH2 3.21Å; E2028-R2032 PolarHBondContact OE1-NH2 3.25Å; E2028-V2060 VanDerWaalsContact CA-CG1 3.42Å; E2028-V2060 HydrophobicContact CB-CG1 3.76Å; E2028-V2060 HydrophobicContact CG-CG1 4.25Å; E2028-K2063 VanDerWaalsContact CD-NZ 3.25Å; E2028-K2063 WeakPolarHBondContact OE1-CD 3.36Å; E2028-K2063 IonicContact OE1-NZ 3.84Å; E2028-K2063 PolarHBondContact OE1-NZ 3.47Å; E2028-K2063 IonicContact OE2-NZ 2.77Å; E2028-K2063 PolarHBondContact OE2-NZ 2.79Å; E2028-L2065 HydrophobicContact CG-CD1 3.86Å |
| 2029 | K | 81.9 | Confident | 73.3 | Confident | 130 Ų | 130 | 71 Ų | 71 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.1 | -47 | 175.5 | -178.8 | 173.8 | 171.8 | 176.7 | 0 | 111.4 | D2025 E2026 L2031 R2032 E2033 | D2025-K2029 PolarHBondContact O-N 3.38Å; E2026-K2029 PolarHBondContact O-N 2.98Å; K2029-L2031 VanDerWaalsContact C-N 3.32Å; K2029-L2031 PolarHBondContact O-N 3.5Å; K2029-R2032 PolarHBondContact O-N 2.89Å; K2029-E2033 WeakPolarHBondContact CE-OE1 3.17Å; K2029-E2033 WeakPolarHBondContact CG-OE1 3.35Å; K2029-E2033 IonicContact NZ-OE1 3.13Å; K2029-E2033 WeakPolarHBondContact O-CG 3.37Å; K2029-E2033 PolarHBondContact O-N 3.22Å |
| 2030 | S | 82.9 | Confident | 76.3 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.2 | -45.5 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | L2001 E2026 V2027 E2028 S2034 Y2046 | L2001-S2030 WeakPolarHBondContact CB-OG 3.29Å; L2001-S2030 PolarHBondContact N-OG 2.91Å; E2026-S2030 PolarHBondContact O-N 3.05Å; V2027-S2030 PolarHBondContact O-N 3.29Å; E2028-S2030 PolarHBondContact O-N 3.08Å; S2030-S2034 PolarHBondContact O-N 2.94Å; S2030-S2034 VanDerWaalsContact O-N 3.14Å; S2030-Y2046 WeakPolarHBondContact CB-OH 3.21Å; S2030-Y2046 PolarHBondContact OG-OH 3.25Å; S2030-Y2046 VanDerWaalsContact OG-OH 3.06Å |
| 2031 | L | 89 | Confident | 78.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -45.7 | -179.2 | -179.1 | 53.5 | 0 | 0 | 0 | 111.4 | T1998 V2027 E2028 K2029 E2033 S2034 L2035 V2043 Y2046 V2060 L2065 | T1998-L2031 HydrophobicContact CG2-CD1 4.27Å; V2027-L2031 PolarHBondContact O-N 3.41Å; V2027-L2031 VanDerWaalsContact O-N 3.11Å; E2028-L2031 PolarHBondContact O-N 3.22Å; K2029-L2031 VanDerWaalsContact C-N 3.32Å; K2029-L2031 PolarHBondContact O-N 3.5Å; L2031-E2033 VanDerWaalsContact C-N 3.28Å; L2031-E2033 PolarHBondContact O-N 3.23Å; L2031-S2034 PolarHBondContact O-N 3.4Å; L2031-L2035 HydrophobicContact CD1-CD1 4.27Å; L2031-L2035 HydrophobicContact CD1-CD2 4.32Å; L2031-L2035 HydrophobicContact CD1-CG 3.98Å; L2031-L2035 HydrophobicContact CG-CD1 3.98Å; L2031-L2035 HydrophobicContact CG-CG 4.2Å; L2031-L2035 VanDerWaalsContact O-CG 3.29Å; L2031-L2035 WeakPolarHBondContact O-CG 3.44Å; L2031-L2035 PolarHBondContact O-N 3.27Å; L2031-V2043 HydrophobicContact CD1-CG2 3.7Å; L2031-Y2046 HydrophobicContact CB-CE1 3.86Å; L2031-Y2046 HydrophobicContact CB-CE2 4.26Å; L2031-Y2046 HydrophobicContact CD1-CD1 4.49Å; L2031-Y2046 HydrophobicContact CD1-CD2 3.8Å; L2031-Y2046 HydrophobicContact CD1-CE1 4.47Å; L2031-Y2046 HydrophobicContact CD1-CE2 3.8Å; L2031-Y2046 HydrophobicContact CD1-CG 4.16Å; L2031-Y2046 HydrophobicContact CD2-CD1 4.01Å; L2031-Y2046 HydrophobicContact CD2-CE1 4.17Å; L2031-Y2046 HydrophobicContact CD2-CG 4.27Å; L2031-Y2046 HydrophobicContact CG-CE1 4.39Å; L2031-Y2046 HydrophobicContact CG-CE2 4.5Å; L2031-Y2046 PolarHBondContact N-OH 2.79Å; L2031-V2060 HydrophobicContact CB-CG1 4.46Å; L2031-V2060 HydrophobicContact CD2-CB 3.8Å; L2031-V2060 HydrophobicContact CD2-CG1 4.11Å; L2031-V2060 HydrophobicContact CD2-CG2 4.25Å; L2031-L2065 HydrophobicContact CD2-CB 3.49Å; L2031-L2065 VanDerWaalsContact CD2-CB 3.49Å; L2031-L2065 HydrophobicContact CG-CB 4.25Å |
| 2032 | R | 88.5 | Confident | 81.7 | Confident | 125 Ų | 125 | 61.9 Ų | 61.9 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.1 | -38.4 | 178.5 | -71.8 | -179.5 | -179.7 | -74.6 | 0.5 | 112.6 | E2028 K2029 A2036 L2065 | E2028-R2032 HydrophobicContact CG-CG 4.33Å; E2028-R2032 WeakPolarHBondContact O-CG 3.41Å; E2028-R2032 PolarHBondContact O-N 3.37Å; E2028-R2032 IonicContact OE1-CZ 2.74Å; E2028-R2032 VanDerWaalsContact OE1-CZ 3.27Å; E2028-R2032 IonicContact OE1-NE 2.64Å; E2028-R2032 PolarHBondContact OE1-NE 2.87Å; E2028-R2032 IonicContact OE1-NH2 3.21Å; E2028-R2032 PolarHBondContact OE1-NH2 3.25Å; K2029-R2032 PolarHBondContact O-N 2.89Å; R2032-A2036 PolarHBondContact O-N 2.84Å; R2032-A2036 VanDerWaalsContact O-N 3.12Å; R2032-L2065 HydrophobicContact CG-CD1 4.13Å |
| 2033 | E | 86.7 | Confident | 83.9 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 173.4 | -70.7 | 177.1 | -168 | 0 | 0 | 112.4 | K2029 L2031 A2036 R2037 | K2029-E2033 WeakPolarHBondContact CE-OE1 3.17Å; K2029-E2033 WeakPolarHBondContact CG-OE1 3.35Å; K2029-E2033 IonicContact NZ-OE1 3.13Å; K2029-E2033 WeakPolarHBondContact O-CG 3.37Å; K2029-E2033 PolarHBondContact O-N 3.22Å; L2031-E2033 VanDerWaalsContact C-N 3.28Å; L2031-E2033 PolarHBondContact O-N 3.23Å; E2033-A2036 PolarHBondContact O-N 3.26Å; E2033-R2037 VanDerWaalsContact C-CZ 3.45Å; E2033-R2037 VanDerWaalsContact O-CZ 3.23Å; E2033-R2037 PolarHBondContact O-N 3.19Å; E2033-R2037 PolarHBondContact O-NH2 3.31Å; E2033-R2037 IonicContact OE2-NH1 3.91Å |
| 2034 | S | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.7 | -36.4 | 178.1 | -80.7 | 0 | 0 | 0 | 0 | 112.6 | E1973 S2030 L2031 A2036 R2037 L2038 | E1973-S2034 WeakPolarHBondContact OE1-CB 3.2Å; E1973-S2034 PolarHBondContact OE1-OG 3.39Å; E1973-S2034 WeakPolarHBondContact OE2-CA 3.29Å; E1973-S2034 WeakPolarHBondContact OE2-CB 3.05Å; E1973-S2034 PolarHBondContact OE2-OG 3.22Å; S2030-S2034 PolarHBondContact O-N 2.94Å; S2030-S2034 VanDerWaalsContact O-N 3.14Å; L2031-S2034 PolarHBondContact O-N 3.4Å; S2034-A2036 VanDerWaalsContact C-N 3.32Å; S2034-A2036 PolarHBondContact O-N 2.79Å; S2034-R2037 VanDerWaalsContact CA-NH2 3.29Å; S2034-R2037 PolarHBondContact O-N 3.43Å; S2034-R2037 PolarHBondContact OG-NH2 3.38Å; S2034-L2038 VanDerWaalsContact O-CB 3.31Å; S2034-L2038 WeakPolarHBondContact O-CB 3.43Å; S2034-L2038 VanDerWaalsContact O-CG 3.31Å; S2034-L2038 WeakPolarHBondContact O-CG 3.3Å; S2034-L2038 PolarHBondContact O-N 2.82Å |
| 2035 | L | 91.7 | Very high | 87.4 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 170.7 | -70.2 | 175.9 | 0 | 0 | 0 | 111.7 | L2031 K2039 L2040 Y2042 V2043 L2065 | L2031-L2035 HydrophobicContact CD1-CD1 4.27Å; L2031-L2035 HydrophobicContact CD1-CD2 4.32Å; L2031-L2035 HydrophobicContact CD1-CG 3.98Å; L2031-L2035 HydrophobicContact CG-CD1 3.98Å; L2031-L2035 HydrophobicContact CG-CG 4.2Å; L2031-L2035 VanDerWaalsContact O-CG 3.29Å; L2031-L2035 WeakPolarHBondContact O-CG 3.44Å; L2031-L2035 PolarHBondContact O-N 3.27Å; L2035-K2039 WeakPolarHBondContact O-CA 3.31Å; L2035-K2039 PolarHBondContact O-N 2.63Å; L2035-L2040 WeakPolarHBondContact CB-O 3.07Å; L2035-L2040 WeakPolarHBondContact CD2-O 3.41Å; L2035-L2040 PolarHBondContact O-N 2.9Å; L2035-L2040 VanDerWaalsContact O-N 3.13Å; L2035-Y2042 VanDerWaalsContact CD2-C 3.41Å; L2035-Y2042 VanDerWaalsContact CD2-CA 3.46Å; L2035-V2043 HydrophobicContact CD2-CG1 3.7Å; L2035-L2065 HydrophobicContact CD1-CB 4.29Å; L2035-L2065 HydrophobicContact CD1-CD2 4.35Å |
| 2036 | A | 89.5 | Confident | 88.7 | Confident | 73 Ų | 73 | 38.9 Ų | 38.9 | 60% | 0.603 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.4 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R2032 E2033 S2034 K2039 | R2032-A2036 PolarHBondContact O-N 2.84Å; R2032-A2036 VanDerWaalsContact O-N 3.12Å; E2033-A2036 PolarHBondContact O-N 3.26Å; S2034-A2036 VanDerWaalsContact C-N 3.32Å; S2034-A2036 PolarHBondContact O-N 2.79Å; A2036-K2039 PolarHBondContact O-N 3.03Å |
| 2037 | R | 91.1 | Very high | 89.6 | Confident | 43 Ų | 43 | 36.2 Ų | 36.2 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.7 | -49.4 | 175.4 | -70.7 | -179.8 | -76.1 | -87.2 | -7.1 | 112.2 | E1973 D1974 E2033 S2034 K2039 | E1973-R2037 HydrophobicContact CB-CB 3.57Å; E1973-R2037 IonicContact OE2-CZ 2.74Å; E1973-R2037 IonicContact OE2-NE 3.22Å; E1973-R2037 PolarHBondContact OE2-NE 3.22Å; E1973-R2037 IonicContact OE2-NH2 2.8Å; E1973-R2037 PolarHBondContact OE2-NH2 2.72Å; D1974-R2037 WeakPolarHBondContact CA-O 3.27Å; D1974-R2037 WeakPolarHBondContact OD1-CG 3.34Å; D1974-R2037 VanDerWaalsContact OD2-CD 3.32Å; D1974-R2037 WeakPolarHBondContact OD2-CD 3.18Å; D1974-R2037 WeakPolarHBondContact OD2-CG 3.4Å; E2033-R2037 VanDerWaalsContact C-CZ 3.45Å; E2033-R2037 VanDerWaalsContact O-CZ 3.23Å; E2033-R2037 PolarHBondContact O-N 3.19Å; E2033-R2037 PolarHBondContact O-NH2 3.31Å; E2033-R2037 IonicContact OE2-NH1 3.91Å; S2034-R2037 VanDerWaalsContact CA-NH2 3.29Å; S2034-R2037 PolarHBondContact O-N 3.43Å; S2034-R2037 PolarHBondContact OG-NH2 3.38Å; R2037-K2039 PolarHBondContact O-N 3.4Å |
| 2038 | L | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -18 | 176 | -70.5 | 170 | 0 | 0 | 0 | 113.1 | T1966 E1973 I1976 G1977 V1996 T1998 S2034 L2040 V2043 | T1966-L2038 HydrophobicContact CG2-CD2 4.14Å; E1973-L2038 HydrophobicContact CB-CD2 3.91Å; E1973-L2038 HydrophobicContact CB-CG 3.93Å; E1973-L2038 HydrophobicContact CG-CD2 4.05Å; E1973-L2038 HydrophobicContact CG-CG 4.08Å; I1976-L2038 HydrophobicContact CB-CD2 4.01Å; I1976-L2038 HydrophobicContact CG2-CD2 3.83Å; G1977-L2038 WeakPolarHBondContact CA-O 3.37Å; V1996-L2038 HydrophobicContact CG1-CD1 4.1Å; V1996-L2038 HydrophobicContact CG1-CD2 4.42Å; T1998-L2038 HydrophobicContact CG2-CD1 4.24Å; S2034-L2038 VanDerWaalsContact O-CB 3.31Å; S2034-L2038 WeakPolarHBondContact O-CB 3.43Å; S2034-L2038 VanDerWaalsContact O-CG 3.31Å; S2034-L2038 WeakPolarHBondContact O-CG 3.3Å; S2034-L2038 PolarHBondContact O-N 2.82Å; L2038-L2040 HydrophobicContact CB-CD1 3.89Å; L2038-L2040 HydrophobicContact CB-CG 3.87Å; L2038-L2040 HydrophobicContact CD1-CD1 4.39Å; L2038-L2040 WeakPolarHBondContact O-CG 3.34Å; L2038-V2043 HydrophobicContact CD1-CG1 3.79Å |
| 2039 | K | 92.1 | Very high | 89.8 | Confident | 82 Ų | 82 | 36.5 Ų | 36.5 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 47.1 | -176.1 | -58.8 | 155.1 | -168.9 | 161.1 | 0 | 111.3 | D1974 Q1981 L2035 A2036 R2037 | D1974-K2039 PolarHBondContact O-NZ 2.76Å; Q1981-K2039 HydrophobicContact CG-CB 3.89Å; Q1981-K2039 HydrophobicContact CG-CD 4.25Å; Q1981-K2039 PolarHBondContact NE2-O 2.9Å; L2035-K2039 WeakPolarHBondContact O-CA 3.31Å; L2035-K2039 PolarHBondContact O-N 2.63Å; A2036-K2039 PolarHBondContact O-N 3.03Å; R2037-K2039 PolarHBondContact O-N 3.4Å |
| 2040 | L | 92.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | trans | -133 | 148.7 | 179.7 | -45 | 172.2 | 0 | 0 | 0 | 110 | L1980 F1984 V1996 L2035 L2038 | L1980-L2040 HydrophobicContact CD1-CD1 4.35Å; L1980-L2040 HydrophobicContact CD1-CD2 4.18Å; F1984-L2040 HydrophobicContact CE2-CD2 4.17Å; V1996-L2040 HydrophobicContact CB-CD1 4.08Å; V1996-L2040 HydrophobicContact CG1-CD1 3.95Å; V1996-L2040 HydrophobicContact CG2-CD1 3.9Å; L2035-L2040 WeakPolarHBondContact CB-O 3.07Å; L2035-L2040 WeakPolarHBondContact CD2-O 3.41Å; L2035-L2040 PolarHBondContact O-N 2.9Å; L2035-L2040 VanDerWaalsContact O-N 3.13Å; L2038-L2040 HydrophobicContact CB-CD1 3.89Å; L2038-L2040 HydrophobicContact CB-CG 3.87Å; L2038-L2040 HydrophobicContact CD1-CD1 4.39Å; L2038-L2040 WeakPolarHBondContact O-CG 3.34Å | ||
| 2041 | D | 89.2 | Confident | 88.3 | Confident | 139 Ų | 139 | 33.8 Ų | 33.8 | 74% | 0.743 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -76.6 | -23.7 | 177.7 | -50.4 | -75.8 | 0 | 0 | 0 | 113.9 | ||
| 2042 | Y | 94 | Very high | 86.6 | Confident | 43 Ų | 43 | 37.6 Ų | 37.6 | 17% | 0.169 | 19% | 0.191 | C | C | . | . | trans | -153.6 | 163.2 | 178.3 | 68.9 | -84.7 | 0 | 0 | 0 | 111.4 | R1991 L2035 L2065 R2067 | R1991-Y2042 HydrophobicContact CG-CE1 4.24Å; R1991-Y2042 PolarHBondContact NH2-O 2.86Å; L2035-Y2042 VanDerWaalsContact CD2-C 3.41Å; L2035-Y2042 VanDerWaalsContact CD2-CA 3.46Å; Y2042-L2065 WeakPolarHBondContact CA-O 3.22Å; Y2042-L2065 WeakPolarHBondContact CB-O 3.13Å; Y2042-R2067 HydrophobicContact CD2-CG 3.93Å; Y2042-R2067 HydrophobicContact CE2-CG 3.92Å; Y2042-R2067 VanDerWaalsContact OH-CZ 3.25Å; Y2042-R2067 PolarHBondContact OH-NH2 2.85Å | ||
| 2043 | V | 94.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -113.9 | 148.5 | 170 | -67.8 | 0 | 0 | 0 | 0 | 110.9 | V1996 T1998 L2031 L2035 L2038 L2065 T2066 R2067 | V1996-V2043 HydrophobicContact CG1-CG1 4.43Å; T1998-V2043 HydrophobicContact CG2-CB 4.39Å; T1998-V2043 HydrophobicContact CG2-CG1 3.81Å; T1998-V2043 HydrophobicContact CG2-CG2 4.2Å; L2031-V2043 HydrophobicContact CD1-CG2 3.7Å; L2035-V2043 HydrophobicContact CD2-CG1 3.7Å; L2038-V2043 HydrophobicContact CD1-CG1 3.79Å; V2043-L2065 PolarHBondContact N-O 2.82Å; V2043-T2066 CarbonylContact O-C 3.53Å; V2043-T2066 WeakPolarHBondContact O-CA 3.33Å; V2043-T2066 WeakPolarHBondContact O-CB 3.45Å; V2043-T2066 PolarHBondContact O-OG1 2.87Å; V2043-R2067 PolarHBondContact O-N 3.49Å |
| 2044 | D | 95.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -76.2 | -29.3 | -172.8 | -60 | -82.2 | 0 | 0 | 0 | 112.6 | R1991 F1995 V1996 R2067 S2068 | R1991-D2044 IonicContact CZ-OD2 2.78Å; R1991-D2044 VanDerWaalsContact CZ-OD2 3.29Å; R1991-D2044 IonicContact NH1-OD1 3.17Å; R1991-D2044 IonicContact NH1-OD2 3.27Å; R1991-D2044 PolarHBondContact NH1-OD2 2.77Å; R1991-D2044 IonicContact NH2-OD1 2.92Å; R1991-D2044 IonicContact NH2-OD2 3.97Å; R1991-D2044 PolarHBondContact NH2-OD2 3.17Å; F1995-D2044 HydrophobicContact CD1-CB 4.06Å; F1995-D2044 HydrophobicContact CD2-CB 3.52Å; F1995-D2044 HydrophobicContact CE1-CB 4.09Å; F1995-D2044 HydrophobicContact CE2-CB 3.58Å; F1995-D2044 HydrophobicContact CG-CB 3.77Å; F1995-D2044 HydrophobicContact CZ-CB 3.86Å; V1996-D2044 PolarHBondContact N-OD2 3.04Å; V1996-D2044 PolarHBondContact O-N 2.92Å; D2044-R2067 WeakPolarHBondContact OD1-CD 3.5Å; D2044-R2067 IonicContact OD1-CZ 3.96Å; D2044-R2067 IonicContact OD1-NE 3.77Å; D2044-R2067 IonicContact OD1-NH1 3.68Å; D2044-R2067 PolarHBondContact OD1-NH1 2.63Å; D2044-S2068 WeakPolarHBondContact O-CB 3.15Å; D2044-S2068 PolarHBondContact O-N 3.2Å; D2044-S2068 VanDerWaalsContact O-N 3.14Å; D2044-S2068 PolarHBondContact O-OG 3.35Å |
| 2045 | L | 94.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 127.8 | 174.3 | 177.9 | 62.2 | 0 | 0 | 0 | 110.2 | M1918 F1995 V1996 V1997 T1998 L2047 S2068 N2092 | M1918-L2045 HydrophobicContact CE-CD2 3.62Å; M1918-L2045 HydrophobicContact SD-CD2 3.82Å; F1995-L2045 HydrophobicContact CE1-CB 3.75Å; F1995-L2045 HydrophobicContact CE1-CD2 4.24Å; F1995-L2045 HydrophobicContact CZ-CB 3.8Å; F1995-L2045 HydrophobicContact CZ-CD2 4.46Å; V1996-L2045 PolarHBondContact O-N 2.86Å; V1997-L2045 WeakPolarHBondContact CA-O 3.27Å; V1997-L2045 HydrophobicContact CG1-CB 4.19Å; V1997-L2045 HydrophobicContact CG1-CD2 4.11Å; V1997-L2045 HydrophobicContact CG1-CG 4.12Å; V1997-L2045 HydrophobicContact CG2-CB 4.19Å; V1997-L2045 HydrophobicContact CG2-CD2 4.28Å; T1998-L2045 PolarHBondContact N-O 2.66Å; L2045-L2047 HydrophobicContact CD1-CD2 3.76Å; L2045-L2047 HydrophobicContact CD2-CD2 3.91Å; L2045-L2047 HydrophobicContact CD2-CG 4.37Å; L2045-L2047 HydrophobicContact CG-CD2 3.68Å; L2045-L2047 HydrophobicContact CG-CG 4.07Å; L2045-S2068 WeakPolarHBondContact CA-O 3.4Å; L2045-N2092 HydrophobicContact CD1-CB 4.15Å; L2045-N2092 HydrophobicContact CD2-CB 3.82Å |
| 2046 | Y | 93.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.9 | 171.9 | -167.3 | -133.4 | 0 | 0 | 0 | 110.4 | T1998 V2000 V2027 S2030 L2031 M2057 V2060 T2066 S2068 I2069 G2070 | T1998-Y2046 HydrophobicContact CG2-CD2 3.82Å; T1998-Y2046 HydrophobicContact CG2-CE2 4Å; T1998-Y2046 WeakPolarHBondContact O-CA 3.33Å; T1998-Y2046 WeakPolarHBondContact O-CD2 3.28Å; V2000-Y2046 HydrophobicContact CG2-CD1 4.27Å; V2000-Y2046 HydrophobicContact CG2-CE1 3.57Å; V2000-Y2046 HydrophobicContact CG2-CE2 4.27Å; V2027-Y2046 HydrophobicContact CG1-CE1 3.93Å; S2030-Y2046 WeakPolarHBondContact CB-OH 3.21Å; S2030-Y2046 PolarHBondContact OG-OH 3.25Å; S2030-Y2046 VanDerWaalsContact OG-OH 3.06Å; L2031-Y2046 HydrophobicContact CB-CE1 3.86Å; L2031-Y2046 HydrophobicContact CB-CE2 4.26Å; L2031-Y2046 HydrophobicContact CD1-CD1 4.49Å; L2031-Y2046 HydrophobicContact CD1-CD2 3.8Å; L2031-Y2046 HydrophobicContact CD1-CE1 4.47Å; L2031-Y2046 HydrophobicContact CD1-CE2 3.8Å; L2031-Y2046 HydrophobicContact CD1-CG 4.16Å; L2031-Y2046 HydrophobicContact CD2-CD1 4.01Å; L2031-Y2046 HydrophobicContact CD2-CE1 4.17Å; L2031-Y2046 HydrophobicContact CD2-CG 4.27Å; L2031-Y2046 HydrophobicContact CG-CE1 4.39Å; L2031-Y2046 HydrophobicContact CG-CE2 4.5Å; L2031-Y2046 PolarHBondContact N-OH 2.79Å; Y2046-M2057 HydrophobicContact CD1-CE 3.57Å; Y2046-M2057 HydrophobicContact CD1-SD 3.68Å; Y2046-M2057 HydrophobicContact CE1-CE 4.29Å; Y2046-M2057 HydrophobicContact CE1-SD 3.84Å; Y2046-M2057 HydrophobicContact CG-CE 4.11Å; Y2046-M2057 WeakPolarHBondContact O-CE 3.45Å; Y2046-V2060 HydrophobicContact CD1-CG2 3.97Å; Y2046-V2060 HydrophobicContact CE1-CG2 4.3Å; Y2046-T2066 PolarHBondContact N-OG1 2.82Å; Y2046-S2068 PolarHBondContact N-O 2.7Å; Y2046-I2069 WeakPolarHBondContact O-CA 3.37Å; Y2046-G2070 PolarHBondContact O-N 2.7Å |
| 2047 | L | 91.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.7 | -173.1 | -56.7 | 175.1 | 0 | 0 | 0 | 112.9 | V1997 T1998 K1999 V2000 L2045 H2049 G2070 Q2094 | V1997-L2047 HydrophobicContact CG1-CD1 3.72Å; V1997-L2047 HydrophobicContact CG1-CG 4.04Å; T1998-L2047 PolarHBondContact O-N 3.18Å; K1999-L2047 CarbonylContact C-O 3.55Å; K1999-L2047 WeakPolarHBondContact CA-O 3.41Å; K1999-L2047 HydrophobicContact CB-CB 4.24Å; K1999-L2047 WeakPolarHBondContact CB-O 3.45Å; K1999-L2047 HydrophobicContact CD-CB 4.47Å; K1999-L2047 HydrophobicContact CD-CD1 4.17Å; K1999-L2047 HydrophobicContact CG-CB 4Å; K1999-L2047 HydrophobicContact CG-CD1 4.26Å; V2000-L2047 WeakPolarHBondContact CG2-O 3.4Å; V2000-L2047 PolarHBondContact N-O 2.91Å; L2045-L2047 HydrophobicContact CD1-CD2 3.76Å; L2045-L2047 HydrophobicContact CD2-CD2 3.91Å; L2045-L2047 HydrophobicContact CD2-CG 4.37Å; L2045-L2047 HydrophobicContact CG-CD2 3.68Å; L2045-L2047 HydrophobicContact CG-CG 4.07Å; L2047-H2049 PolarHBondContact O-N 3.36Å; L2047-G2070 WeakPolarHBondContact CA-O 3.23Å; L2047-G2070 VanDerWaalsContact CD2-CA 3.46Å; L2047-Q2094 HydrophobicContact CD1-CB 3.91Å; L2047-Q2094 HydrophobicContact CD1-CG 4.49Å |
| 2048 | V | 84.9 | Confident | 80.7 | Confident | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 117 | 160.5 | -163.4 | 0 | 0 | 0 | 0 | 107.5 | S2050 M2057 G2070 I2071 S2072 F2074 | V2048-S2050 VanDerWaalsContact C-N 3.3Å; V2048-S2050 WeakPolarHBondContact CG1-O 3.47Å; V2048-S2050 PolarHBondContact O-N 3.45Å; V2048-M2057 HydrophobicContact CG2-CE 3.94Å; V2048-M2057 HydrophobicContact CG2-CG 3.6Å; V2048-M2057 HydrophobicContact CG2-SD 3.95Å; V2048-G2070 PolarHBondContact N-O 2.92Å; V2048-I2071 HydrophobicContact CB-CG2 4.27Å; V2048-I2071 HydrophobicContact CG2-CG2 4.17Å; V2048-S2072 WeakPolarHBondContact O-CB 3.47Å; V2048-S2072 PolarHBondContact O-N 3.46Å; V2048-F2074 HydrophobicContact CB-CE2 4.11Å; V2048-F2074 HydrophobicContact CB-CZ 4.05Å; V2048-F2074 HydrophobicContact CG1-CE2 4.37Å; V2048-F2074 HydrophobicContact CG1-CZ 4.06Å |
| 2049 | H | 79.8 | Confident | 80.3 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -70.7 | -22.3 | -165.8 | -155.4 | 169.4 | 0 | 0 | 0 | 114.4 | I1969 Y1970 K1999 L2002 L2047 S2072 N2073 | I1969-H2049 VanDerWaalsContact CG2-CE1 3.44Å; I1969-H2049 WeakPolarHBondContact CG2-CE1 3.49Å; Y1970-H2049 AromaticContact CE1-CE1 3.64Å; Y1970-H2049 AromaticContact CE1-NE2 3.95Å; Y1970-H2049 AromaticContact CZ-NE2 3.99Å; Y1970-H2049 PolarHBondContact OH-NE2 3.24Å; K1999-H2049 HydrophobicContact CB-CB 3.89Å; L2002-H2049 HydrophobicContact CD1-CB 4.39Å; L2047-H2049 PolarHBondContact O-N 3.36Å; H2049-S2072 CarbonylContact C-O 3.52Å; H2049-N2073 PolarHBondContact O-ND2 3.24Å |
| 2050 | S | 69.9 | Low | 80.1 | Confident | 25 Ų | 25 | 36 Ų | 36 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -153.9 | 173.6 | 174.8 | 78.1 | 0 | 0 | 0 | 0 | 110 | L2002 V2048 Q2052 S2072 F2074 | L2002-S2050 VanDerWaalsContact CD1-OG 3.26Å; L2002-S2050 WeakPolarHBondContact CD1-OG 3.35Å; V2048-S2050 VanDerWaalsContact C-N 3.3Å; V2048-S2050 WeakPolarHBondContact CG1-O 3.47Å; V2048-S2050 PolarHBondContact O-N 3.45Å; S2050-Q2052 PolarHBondContact O-N 2.66Å; S2050-S2072 VanDerWaalsContact CA-O 3.3Å; S2050-S2072 WeakPolarHBondContact CA-O 3.49Å; S2050-S2072 PolarHBondContact N-O 2.91Å; S2050-F2074 VanDerWaalsContact O-CE2 3.26Å; S2050-F2074 WeakPolarHBondContact O-CE2 3.26Å; S2050-F2074 WeakPolarHBondContact O-CZ 3.36Å |
| 2051 | P | 64.4 | Low | 79.8 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 33% | 0.331 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -60.8 | 10.4 | -179.7 | -28.2 | 39 | 0 | 0 | 0 | 117.7 | R2053 N2073 F2074 Q2078 | P2051-R2053 PolarHBondContact O-N 3.46Å; P2051-N2073 VanDerWaalsContact CD-O 3.27Å; P2051-N2073 WeakPolarHBondContact CD-O 3.15Å; P2051-N2073 WeakPolarHBondContact CG-O 3.12Å; P2051-F2074 VanDerWaalsContact CA-CZ 3.47Å; P2051-F2074 HydrophobicContact CB-CD1 4.33Å; P2051-F2074 HydrophobicContact CB-CE1 4.23Å; P2051-F2074 HydrophobicContact CB-CZ 4.45Å; P2051-F2074 HydrophobicContact CG-CD1 4.34Å; P2051-F2074 HydrophobicContact CG-CD2 4.18Å; P2051-F2074 HydrophobicContact CG-CE2 4.47Å; P2051-F2074 HydrophobicContact CG-CG 4.11Å; P2051-Q2078 HydrophobicContact CB-CG 4.45Å |
| 2052 | Q | 53.3 | Low | 79.7 | Confident | 79 Ų | 79 | 35.7 Ų | 35.7 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -94.4 | 84.7 | -173.1 | -66.2 | 176.7 | -18 | 0 | 0 | 112.2 | L2002 W2019 S2050 | L2002-Q2052 HydrophobicContact CD2-CB 4.02Å; W2019-Q2052 VanDerWaalsContact CZ3-OE1 3.24Å; S2050-Q2052 PolarHBondContact O-N 2.66Å |
| 2053 | R | 57.1 | Low | 79.4 | Confident | 171 Ų | 171 | 38.9 Ų | 38.9 | 65% | 0.645 | 21% | 0.21 | S | C | * | . | trans | 55.4 | 69.6 | 158.7 | -61 | 177.7 | 174.7 | 158.4 | -3.1 | 116.5 | W2019 P2051 A2055 | W2019-R2053 PolarHBondContact O-NH1 2.9Å; P2051-R2053 PolarHBondContact O-N 3.46Å; R2053-A2055 PolarHBondContact O-N 3.28Å | ||
| 2054 | G | 51.4 | Low | 79.1 | Confident | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | trans | -74.8 | 35.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | G2056 M2057 | G2054-G2056 PolarHBondContact O-N 3.11Å; G2054-M2057 VanDerWaalsContact O-CG 3.31Å; G2054-M2057 WeakPolarHBondContact O-CG 3.44Å; G2054-M2057 PolarHBondContact O-N 3.18Å | ||
| 2055 | A | 64.5 | Low | 78.9 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 50% | 0.496 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 115.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R2024 V2027 R2053 | R2024-A2055 WeakPolarHBondContact CA-O 3.44Å; V2027-A2055 VanDerWaalsContact CG2-O 3.23Å; V2027-A2055 WeakPolarHBondContact CG2-O 3.42Å; R2053-A2055 PolarHBondContact O-N 3.28Å |
| 2056 | G | 73.4 | Confident | 78.8 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 8% | 0.082 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 119.2 | -6.7 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | G2054 E2058 D2059 V2060 | G2054-G2056 PolarHBondContact O-N 3.11Å; G2056-E2058 VanDerWaalsContact C-N 3.25Å; G2056-E2058 PolarHBondContact O-N 3.14Å; G2056-D2059 WeakPolarHBondContact O-CB 3.5Å; G2056-D2059 PolarHBondContact O-N 3.17Å; G2056-V2060 PolarHBondContact O-N 2.88Å |
| 2057 | M | 84.3 | Confident | 78.7 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -34.5 | 175.2 | -65.6 | -64.3 | -76.7 | 0 | 0 | 112.8 | V2000 V2027 Y2046 V2048 G2054 D2059 V2060 F2061 I2069 | V2000-M2057 HydrophobicContact CG2-CE 4.3Å; V2000-M2057 HydrophobicContact CG2-SD 3.56Å; V2000-M2057 VanDerWaalsContact CG2-SD 3.56Å; V2027-M2057 HydrophobicContact CG1-CG 4.42Å; V2027-M2057 HydrophobicContact CG1-SD 3.68Å; Y2046-M2057 HydrophobicContact CD1-CE 3.57Å; Y2046-M2057 HydrophobicContact CD1-SD 3.68Å; Y2046-M2057 HydrophobicContact CE1-CE 4.29Å; Y2046-M2057 HydrophobicContact CE1-SD 3.84Å; Y2046-M2057 HydrophobicContact CG-CE 4.11Å; Y2046-M2057 WeakPolarHBondContact O-CE 3.45Å; V2048-M2057 HydrophobicContact CG2-CE 3.94Å; V2048-M2057 HydrophobicContact CG2-CG 3.6Å; V2048-M2057 HydrophobicContact CG2-SD 3.95Å; G2054-M2057 VanDerWaalsContact O-CG 3.31Å; G2054-M2057 WeakPolarHBondContact O-CG 3.44Å; G2054-M2057 PolarHBondContact O-N 3.18Å; M2057-D2059 VanDerWaalsContact C-N 3.25Å; M2057-D2059 PolarHBondContact O-N 2.84Å; M2057-V2060 WeakPolarHBondContact O-CG2 3.18Å; M2057-F2061 WeakPolarHBondContact O-CB 3.45Å; M2057-F2061 PolarHBondContact O-N 2.78Å; M2057-I2069 HydrophobicContact CB-CD1 3.85Å; M2057-I2069 HydrophobicContact CB-CG2 4.35Å; M2057-I2069 HydrophobicContact CE-CB 4.05Å; M2057-I2069 HydrophobicContact CE-CG2 3.94Å |
| 2058 | E | 83.1 | Confident | 78.7 | Confident | 50 Ų | 50 | 55 Ų | 55 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -29.4 | 175.9 | -49.2 | -165.7 | 144.5 | 0 | 0 | 112.7 | G2056 S2062 K2087 V2088 | G2056-E2058 VanDerWaalsContact C-N 3.25Å; G2056-E2058 PolarHBondContact O-N 3.14Å; E2058-S2062 WeakPolarHBondContact O-CB 3.27Å; E2058-S2062 PolarHBondContact O-N 2.85Å; E2058-S2062 PolarHBondContact O-OG 3.01Å; E2058-K2087 WeakPolarHBondContact OE1-CA 3.27Å; E2058-K2087 WeakPolarHBondContact OE1-CB 3.43Å; E2058-K2087 PolarHBondContact OE1-N 3.42Å; E2058-V2088 HydrophobicContact CB-CG2 4.05Å; E2058-V2088 HydrophobicContact CG-CB 4.1Å; E2058-V2088 HydrophobicContact CG-CG2 4Å; E2058-V2088 PolarHBondContact OE1-N 2.76Å |
| 2059 | D | 83.2 | Confident | 79.1 | Confident | 39 Ų | 39 | 55 Ų | 55 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78 | -42.8 | -176.6 | -64.2 | 19.7 | 0 | 0 | 0 | 110.6 | R2024 G2056 M2057 F2061 S2062 K2063 | R2024-D2059 WeakPolarHBondContact CD-OD2 3.39Å; R2024-D2059 WeakPolarHBondContact CG-OD2 3.34Å; R2024-D2059 IonicContact CZ-OD1 3.32Å; R2024-D2059 VanDerWaalsContact CZ-OD1 3.28Å; R2024-D2059 IonicContact CZ-OD2 2.72Å; R2024-D2059 VanDerWaalsContact NE-CG 3.26Å; R2024-D2059 IonicContact NE-OD1 3.86Å; R2024-D2059 PolarHBondContact NE-OD1 3.02Å; R2024-D2059 IonicContact NE-OD2 3.84Å; R2024-D2059 PolarHBondContact NE-OD2 3.26Å; R2024-D2059 IonicContact NH2-OD1 2.81Å; R2024-D2059 PolarHBondContact NH2-OD1 3.34Å; R2024-D2059 IonicContact NH2-OD2 2.7Å; G2056-D2059 WeakPolarHBondContact O-CB 3.5Å; G2056-D2059 PolarHBondContact O-N 3.17Å; M2057-D2059 VanDerWaalsContact C-N 3.25Å; M2057-D2059 PolarHBondContact O-N 2.84Å; D2059-F2061 VanDerWaalsContact C-N 3.31Å; D2059-F2061 PolarHBondContact O-N 3.33Å; D2059-S2062 WeakPolarHBondContact CA-OG 3.01Å; D2059-S2062 PolarHBondContact O-N 3.07Å; D2059-S2062 PolarHBondContact O-OG 3.09Å; D2059-S2062 VanDerWaalsContact O-OG 3.11Å; D2059-K2063 VanDerWaalsContact O-CB 3.25Å; D2059-K2063 WeakPolarHBondContact O-CB 3.49Å; D2059-K2063 WeakPolarHBondContact O-CG 3.25Å; D2059-K2063 PolarHBondContact O-N 2.94Å |
| 2060 | V | 87 | Confident | 79.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -32.1 | 175.2 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | V2027 E2028 L2031 Y2046 G2056 M2057 R2064 L2065 T2066 | V2027-V2060 HydrophobicContact CG1-CG1 4.3Å; V2027-V2060 HydrophobicContact CG1-CG2 4.34Å; E2028-V2060 VanDerWaalsContact CA-CG1 3.42Å; E2028-V2060 HydrophobicContact CB-CG1 3.76Å; E2028-V2060 HydrophobicContact CG-CG1 4.25Å; L2031-V2060 HydrophobicContact CB-CG1 4.46Å; L2031-V2060 HydrophobicContact CD2-CB 3.8Å; L2031-V2060 HydrophobicContact CD2-CG1 4.11Å; L2031-V2060 HydrophobicContact CD2-CG2 4.25Å; Y2046-V2060 HydrophobicContact CD1-CG2 3.97Å; Y2046-V2060 HydrophobicContact CE1-CG2 4.3Å; G2056-V2060 PolarHBondContact O-N 2.88Å; M2057-V2060 WeakPolarHBondContact O-CG2 3.18Å; V2060-R2064 PolarHBondContact O-N 3.28Å; V2060-L2065 HydrophobicContact CB-CB 4.48Å; V2060-L2065 HydrophobicContact CG1-CD1 4.3Å; V2060-L2065 PolarHBondContact O-N 2.73Å; V2060-T2066 HydrophobicContact CG2-CG2 4.48Å |
| 2061 | F | 87.7 | Confident | 80.6 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.8 | -51.1 | 172.7 | -179.7 | -107.2 | 0 | 0 | 0 | 111.7 | M2057 D2059 K2063 R2064 R2067 I2069 V2088 | M2057-F2061 WeakPolarHBondContact O-CB 3.45Å; M2057-F2061 PolarHBondContact O-N 2.78Å; D2059-F2061 VanDerWaalsContact C-N 3.31Å; D2059-F2061 PolarHBondContact O-N 3.33Å; F2061-K2063 VanDerWaalsContact C-N 3.28Å; F2061-K2063 PolarHBondContact O-N 3.06Å; F2061-R2064 WeakPolarHBondContact O-CA 3.48Å; F2061-R2064 PolarHBondContact O-N 3.42Å; F2061-R2067 WeakPolarHBondContact CE2-O 3.3Å; F2061-I2069 HydrophobicContact CB-CG2 3.88Å; F2061-I2069 HydrophobicContact CD2-CG2 4.34Å; F2061-I2069 HydrophobicContact CG-CG2 4.45Å; F2061-V2088 HydrophobicContact CD1-CG1 3.76Å; F2061-V2088 HydrophobicContact CD1-CG2 4.07Å; F2061-V2088 HydrophobicContact CE1-CG1 3.81Å; F2061-V2088 HydrophobicContact CE1-CG2 4.41Å; F2061-V2088 HydrophobicContact CG-CG1 4.32Å; F2061-V2088 HydrophobicContact CZ-CG1 4.41Å |
| 2062 | S | 86.5 | Confident | 81.7 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 60% | 0.601 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.5 | -31.6 | 178.2 | 53 | 0 | 0 | 0 | 0 | 112.9 | E2058 D2059 R2064 | E2058-S2062 WeakPolarHBondContact O-CB 3.27Å; E2058-S2062 PolarHBondContact O-N 2.85Å; E2058-S2062 PolarHBondContact O-OG 3.01Å; D2059-S2062 WeakPolarHBondContact CA-OG 3.01Å; D2059-S2062 PolarHBondContact O-N 3.07Å; D2059-S2062 PolarHBondContact O-OG 3.09Å; D2059-S2062 VanDerWaalsContact O-OG 3.11Å; S2062-R2064 PolarHBondContact O-N 3.31Å |
| 2063 | K | 87.8 | Confident | 83.2 | Confident | 109 Ų | 109 | 49.2 Ų | 49.2 | 47% | 0.474 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 1.7 | 170 | -69.8 | 176.9 | 177.6 | -173.9 | 0 | 114.7 | E2028 D2059 F2061 L2065 | E2028-K2063 VanDerWaalsContact CD-NZ 3.25Å; E2028-K2063 WeakPolarHBondContact OE1-CD 3.36Å; E2028-K2063 IonicContact OE1-NZ 3.84Å; E2028-K2063 PolarHBondContact OE1-NZ 3.47Å; E2028-K2063 IonicContact OE2-NZ 2.77Å; E2028-K2063 PolarHBondContact OE2-NZ 2.79Å; D2059-K2063 VanDerWaalsContact O-CB 3.25Å; D2059-K2063 WeakPolarHBondContact O-CB 3.49Å; D2059-K2063 WeakPolarHBondContact O-CG 3.25Å; D2059-K2063 PolarHBondContact O-N 2.94Å; F2061-K2063 VanDerWaalsContact C-N 3.28Å; F2061-K2063 PolarHBondContact O-N 3.06Å; K2063-L2065 HydrophobicContact CB-CD1 4.42Å; K2063-L2065 HydrophobicContact CB-CG 4.16Å; K2063-L2065 PolarHBondContact O-N 2.87Å; K2063-L2065 VanDerWaalsContact O-N 3.13Å |
| 2064 | R | 87.7 | Confident | 84.5 | Confident | 214 Ų | 214 | 41.7 Ų | 41.7 | 81% | 0.808 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 21.3 | 179.9 | -56.9 | -176.4 | 177.7 | -172.9 | -1.5 | 115.4 | V2060 F2061 S2062 T2066 | V2060-R2064 PolarHBondContact O-N 3.28Å; F2061-R2064 WeakPolarHBondContact O-CA 3.48Å; F2061-R2064 PolarHBondContact O-N 3.42Å; S2062-R2064 PolarHBondContact O-N 3.31Å; R2064-T2066 PolarHBondContact O-N 3.29Å |
| 2065 | L | 90.6 | Very high | 86.1 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -69.7 | -17 | 171.8 | -59.4 | 177 | 0 | 0 | 0 | 111.5 | E2028 L2031 R2032 L2035 Y2042 V2043 V2060 K2063 | E2028-L2065 HydrophobicContact CG-CD1 3.86Å; L2031-L2065 HydrophobicContact CD2-CB 3.49Å; L2031-L2065 VanDerWaalsContact CD2-CB 3.49Å; L2031-L2065 HydrophobicContact CG-CB 4.25Å; R2032-L2065 HydrophobicContact CG-CD1 4.13Å; L2035-L2065 HydrophobicContact CD1-CB 4.29Å; L2035-L2065 HydrophobicContact CD1-CD2 4.35Å; Y2042-L2065 WeakPolarHBondContact CA-O 3.22Å; Y2042-L2065 WeakPolarHBondContact CB-O 3.13Å; V2043-L2065 PolarHBondContact N-O 2.82Å; V2060-L2065 HydrophobicContact CB-CB 4.48Å; V2060-L2065 HydrophobicContact CG1-CD1 4.3Å; V2060-L2065 PolarHBondContact O-N 2.73Å; K2063-L2065 HydrophobicContact CB-CD1 4.42Å; K2063-L2065 HydrophobicContact CB-CG 4.16Å; K2063-L2065 PolarHBondContact O-N 2.87Å; K2063-L2065 VanDerWaalsContact O-N 3.13Å |
| 2066 | T | 93.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -137.2 | 148.8 | 164.2 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | V2043 Y2046 V2060 R2064 S2068 I2069 | V2043-T2066 CarbonylContact O-C 3.53Å; V2043-T2066 WeakPolarHBondContact O-CA 3.33Å; V2043-T2066 WeakPolarHBondContact O-CB 3.45Å; V2043-T2066 PolarHBondContact O-OG1 2.87Å; Y2046-T2066 PolarHBondContact N-OG1 2.82Å; V2060-T2066 HydrophobicContact CG2-CG2 4.48Å; R2064-T2066 PolarHBondContact O-N 3.29Å; T2066-S2068 PolarHBondContact OG1-N 3.16Å; T2066-S2068 PolarHBondContact OG1-O 2.72Å; T2066-I2069 HydrophobicContact CG2-CG2 3.73Å |
| 2067 | R | 90.8 | Very high | 87.8 | Confident | 106 Ų | 106 | 47.9 Ų | 47.9 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -73.7 | -24.9 | 172.9 | -70.3 | 178.9 | 169.5 | 165.3 | -15.4 | 113 | N1914 V1916 Y2042 V2043 D2044 F2061 | N1914-R2067 PolarHBondContact ND2-O 3.27Å; V1916-R2067 HydrophobicContact CG2-CB 4.17Å; Y2042-R2067 HydrophobicContact CD2-CG 3.93Å; Y2042-R2067 HydrophobicContact CE2-CG 3.92Å; Y2042-R2067 VanDerWaalsContact OH-CZ 3.25Å; Y2042-R2067 PolarHBondContact OH-NH2 2.85Å; V2043-R2067 PolarHBondContact O-N 3.49Å; D2044-R2067 WeakPolarHBondContact OD1-CD 3.5Å; D2044-R2067 IonicContact OD1-CZ 3.96Å; D2044-R2067 IonicContact OD1-NE 3.77Å; D2044-R2067 IonicContact OD1-NH1 3.68Å; D2044-R2067 PolarHBondContact OD1-NH1 2.63Å; F2061-R2067 WeakPolarHBondContact CE2-O 3.3Å |
| 2068 | S | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -150.5 | 145.1 | -173.6 | -42.6 | 0 | 0 | 0 | 0 | 111.2 | L1912 N1914 D2044 L2045 Y2046 T2066 | L1912-S2068 WeakPolarHBondContact CD1-OG 3.5Å; N1914-S2068 WeakPolarHBondContact ND2-CB 3.13Å; N1914-S2068 PolarHBondContact ND2-OG 3.42Å; D2044-S2068 WeakPolarHBondContact O-CB 3.15Å; D2044-S2068 PolarHBondContact O-N 3.2Å; D2044-S2068 VanDerWaalsContact O-N 3.14Å; D2044-S2068 PolarHBondContact O-OG 3.35Å; L2045-S2068 WeakPolarHBondContact CA-O 3.4Å; Y2046-S2068 PolarHBondContact N-O 2.7Å; T2066-S2068 PolarHBondContact OG1-N 3.16Å; T2066-S2068 PolarHBondContact OG1-O 2.72Å | ||
| 2069 | I | 91.9 | Very high | 88 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146 | 169.4 | 58.5 | 166.2 | 0 | 0 | 0 | 112 | Y2046 M2057 F2061 T2066 V2088 Q2091 | Y2046-I2069 WeakPolarHBondContact O-CA 3.37Å; M2057-I2069 HydrophobicContact CB-CD1 3.85Å; M2057-I2069 HydrophobicContact CB-CG2 4.35Å; M2057-I2069 HydrophobicContact CE-CB 4.05Å; M2057-I2069 HydrophobicContact CE-CG2 3.94Å; F2061-I2069 HydrophobicContact CB-CG2 3.88Å; F2061-I2069 HydrophobicContact CD2-CG2 4.34Å; F2061-I2069 HydrophobicContact CG-CG2 4.45Å; T2066-I2069 HydrophobicContact CG2-CG2 3.73Å; I2069-V2088 HydrophobicContact CD1-CB 3.91Å; I2069-V2088 HydrophobicContact CD1-CG1 3.59Å; I2069-V2088 HydrophobicContact CG1-CG1 3.85Å; I2069-Q2091 WeakPolarHBondContact O-CB 3.34Å; I2069-Q2091 WeakPolarHBondContact O-CG 3.44Å; I2069-Q2091 PolarHBondContact O-N 3.29Å |
| 2070 | G | 91 | Very high | 88.2 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | -165 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y2046 L2047 V2048 N2092 | Y2046-G2070 PolarHBondContact O-N 2.7Å; L2047-G2070 WeakPolarHBondContact CA-O 3.23Å; L2047-G2070 VanDerWaalsContact CD2-CA 3.46Å; V2048-G2070 PolarHBondContact N-O 2.92Å; G2070-N2092 WeakPolarHBondContact CA-O 3.27Å |
| 2071 | I | 90.5 | Very high | 87.9 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 149.2 | -171 | 45.4 | 171.5 | 0 | 0 | 0 | 109.6 | V2048 F2074 I2079 I2082 P2090 N2092 L2093 Q2094 | V2048-I2071 HydrophobicContact CB-CG2 4.27Å; V2048-I2071 HydrophobicContact CG2-CG2 4.17Å; I2071-F2074 HydrophobicContact CB-CD1 4.49Å; I2071-F2074 HydrophobicContact CB-CD2 3.57Å; I2071-F2074 HydrophobicContact CB-CE2 3.64Å; I2071-F2074 HydrophobicContact CB-CG 4.03Å; I2071-F2074 HydrophobicContact CB-CZ 4.16Å; I2071-F2074 HydrophobicContact CD1-CB 4.14Å; I2071-F2074 HydrophobicContact CD1-CD1 4.39Å; I2071-F2074 HydrophobicContact CD1-CD2 4.49Å; I2071-F2074 HydrophobicContact CD1-CG 4.11Å; I2071-F2074 HydrophobicContact CG1-CD2 4.48Å; I2071-F2074 HydrophobicContact CG2-CD1 4.38Å; I2071-F2074 HydrophobicContact CG2-CD2 4.08Å; I2071-F2074 HydrophobicContact CG2-CE1 4.08Å; I2071-F2074 HydrophobicContact CG2-CE2 3.72Å; I2071-F2074 HydrophobicContact CG2-CG 4.41Å; I2071-F2074 HydrophobicContact CG2-CZ 3.71Å; I2071-I2079 HydrophobicContact CD1-CB 4.39Å; I2071-I2079 HydrophobicContact CD1-CG1 3.72Å; I2071-I2079 HydrophobicContact CD1-CG2 4.11Å; I2071-I2082 HydrophobicContact CG2-CD1 4.08Å; I2071-P2090 HydrophobicContact CD1-CB 4.01Å; I2071-P2090 HydrophobicContact CD1-CG 3.88Å; I2071-P2090 HydrophobicContact CG1-CB 3.79Å; I2071-P2090 HydrophobicContact CG1-CG 4.24Å; I2071-P2090 HydrophobicContact CG2-CB 4.41Å; I2071-N2092 WeakPolarHBondContact CG1-O 3.27Å; I2071-N2092 PolarHBondContact N-O 2.86Å; I2071-L2093 HydrophobicContact CD1-CD1 4.03Å; I2071-L2093 HydrophobicContact CG1-CD1 3.92Å; I2071-L2093 CarbonylContact O-C 3.53Å; I2071-L2093 WeakPolarHBondContact O-CA 3.44Å; I2071-Q2094 PolarHBondContact O-N 2.8Å |
| 2072 | S | 87.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.6 | 178.5 | -167.2 | 0 | 0 | 0 | 0 | 109.5 | V2048 H2049 S2050 F2074 Q2094 | V2048-S2072 WeakPolarHBondContact O-CB 3.47Å; V2048-S2072 PolarHBondContact O-N 3.46Å; H2049-S2072 CarbonylContact C-O 3.52Å; S2050-S2072 VanDerWaalsContact CA-O 3.3Å; S2050-S2072 WeakPolarHBondContact CA-O 3.49Å; S2050-S2072 PolarHBondContact N-O 2.91Å; S2072-F2074 WeakPolarHBondContact O-CD2 3.21Å; S2072-F2074 WeakPolarHBondContact O-CE2 3.46Å; S2072-Q2094 CarbonylContact C-O 3.59Å; S2072-Q2094 WeakPolarHBondContact CA-O 3.35Å; S2072-Q2094 PolarHBondContact OG-O 2.92Å |
| 2073 | N | 84.1 | Confident | 87.6 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 66.6 | 34 | 178.3 | -50.3 | -57.1 | 0 | 0 | 0 | 115.9 | H2049 P2051 Q2094 Y2120 | H2049-N2073 PolarHBondContact O-ND2 3.24Å; P2051-N2073 VanDerWaalsContact CD-O 3.27Å; P2051-N2073 WeakPolarHBondContact CD-O 3.15Å; P2051-N2073 WeakPolarHBondContact CG-O 3.12Å; N2073-Q2094 PolarHBondContact N-O 3.46Å; N2073-Y2120 WeakPolarHBondContact OD1-CE1 3.41Å; N2073-Y2120 PolarHBondContact OD1-OH 2.84Å |
| 2074 | F | 85.2 | Confident | 87.5 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | trans | -98.6 | 146.3 | 175.9 | -72.3 | -120.4 | 0 | 0 | 0 | 111.6 | V2048 S2050 P2051 I2071 S2072 Q2078 I2079 I2082 L2093 | V2048-F2074 HydrophobicContact CB-CE2 4.11Å; V2048-F2074 HydrophobicContact CB-CZ 4.05Å; V2048-F2074 HydrophobicContact CG1-CE2 4.37Å; V2048-F2074 HydrophobicContact CG1-CZ 4.06Å; S2050-F2074 VanDerWaalsContact O-CE2 3.26Å; S2050-F2074 WeakPolarHBondContact O-CE2 3.26Å; S2050-F2074 WeakPolarHBondContact O-CZ 3.36Å; P2051-F2074 VanDerWaalsContact CA-CZ 3.47Å; P2051-F2074 HydrophobicContact CB-CD1 4.33Å; P2051-F2074 HydrophobicContact CB-CE1 4.23Å; P2051-F2074 HydrophobicContact CB-CZ 4.45Å; P2051-F2074 HydrophobicContact CG-CD1 4.34Å; P2051-F2074 HydrophobicContact CG-CD2 4.18Å; P2051-F2074 HydrophobicContact CG-CE2 4.47Å; P2051-F2074 HydrophobicContact CG-CG 4.11Å; I2071-F2074 HydrophobicContact CB-CD1 4.49Å; I2071-F2074 HydrophobicContact CB-CD2 3.57Å; I2071-F2074 HydrophobicContact CB-CE2 3.64Å; I2071-F2074 HydrophobicContact CB-CG 4.03Å; I2071-F2074 HydrophobicContact CB-CZ 4.16Å; I2071-F2074 HydrophobicContact CD1-CB 4.14Å; I2071-F2074 HydrophobicContact CD1-CD1 4.39Å; I2071-F2074 HydrophobicContact CD1-CD2 4.49Å; I2071-F2074 HydrophobicContact CD1-CG 4.11Å; I2071-F2074 HydrophobicContact CG1-CD2 4.48Å; I2071-F2074 HydrophobicContact CG2-CD1 4.38Å; I2071-F2074 HydrophobicContact CG2-CD2 4.08Å; I2071-F2074 HydrophobicContact CG2-CE1 4.08Å; I2071-F2074 HydrophobicContact CG2-CE2 3.72Å; I2071-F2074 HydrophobicContact CG2-CG 4.41Å; I2071-F2074 HydrophobicContact CG2-CZ 3.71Å; S2072-F2074 WeakPolarHBondContact O-CD2 3.21Å; S2072-F2074 WeakPolarHBondContact O-CE2 3.46Å; F2074-Q2078 HydrophobicContact CB-CB 4.38Å; F2074-Q2078 HydrophobicContact CD1-CB 3.8Å; F2074-I2079 HydrophobicContact CB-CD1 4.39Å; F2074-I2079 HydrophobicContact CB-CG1 3.76Å; F2074-I2082 HydrophobicContact CD1-CD1 3.89Å; F2074-I2082 HydrophobicContact CE1-CD1 3.38Å; F2074-I2082 HydrophobicContact CZ-CD1 4.19Å; F2074-L2093 HydrophobicContact CB-CD1 4.08Å | ||
| 2075 | N | 85.6 | Confident | 87.1 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 35% | 0.353 | 23% | 0.234 | S | C | . | . | trans | -93.9 | 172.3 | 172.2 | 80.2 | -5.6 | 0 | 0 | 0 | 112.2 | D2077 Q2078 I2079 | N2075-D2077 VanDerWaalsContact C-N 3.35Å; N2075-D2077 PolarHBondContact ND2-OD2 3.47Å; N2075-D2077 PolarHBondContact O-N 3.45Å; N2075-D2077 PolarHBondContact OD1-N 3.15Å; N2075-Q2078 PolarHBondContact O-N 3.14Å; N2075-Q2078 VanDerWaalsContact OD1-CB 3.31Å; N2075-Q2078 WeakPolarHBondContact OD1-CB 3.42Å; N2075-Q2078 WeakPolarHBondContact OD1-CG 2.97Å; N2075-Q2078 PolarHBondContact OD1-N 2.92Å; N2075-Q2078 PolarHBondContact OD1-OE1 3.24Å; N2075-I2079 WeakPolarHBondContact O-CD1 3.46Å; N2075-I2079 WeakPolarHBondContact O-CG1 3.48Å; N2075-I2079 PolarHBondContact O-N 3.28Å | ||
| 2076 | I | 89.9 | Confident | 86.5 | Confident | 45 Ų | 45 | 46.2 Ų | 46.2 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.6 | -46.9 | -177 | -67.3 | 179.6 | 0 | 0 | 0 | 112.3 | Q2078 I2079 T2080 E2105 L2106 F2109 | I2076-Q2078 PolarHBondContact O-N 2.93Å; I2076-I2079 PolarHBondContact O-N 3.47Å; I2076-T2080 WeakPolarHBondContact O-CB 3.37Å; I2076-T2080 PolarHBondContact O-N 3.07Å; I2076-T2080 PolarHBondContact O-OG1 3.07Å; I2076-E2105 HydrophobicContact CD1-CG 3.94Å; I2076-L2106 HydrophobicContact CG1-CD1 3.59Å; I2076-F2109 HydrophobicContact CD1-CB 4.09Å; I2076-F2109 HydrophobicContact CD1-CD2 4.48Å; I2076-F2109 HydrophobicContact CD1-CG 4.31Å; I2076-F2109 HydrophobicContact CG1-CB 4.17Å; I2076-F2109 HydrophobicContact CG1-CD1 4.31Å; I2076-F2109 HydrophobicContact CG1-CD2 4.38Å; I2076-F2109 HydrophobicContact CG1-CG 4.02Å; I2076-F2109 HydrophobicContact CG2-CD2 3.73Å; I2076-F2109 HydrophobicContact CG2-CE1 4.47Å; I2076-F2109 HydrophobicContact CG2-CE2 3.68Å; I2076-F2109 HydrophobicContact CG2-CG 4.16Å; I2076-F2109 HydrophobicContact CG2-CZ 4.07Å |
| 2077 | D | 82.2 | Confident | 85.8 | Confident | 115 Ų | 115 | 55 Ų | 55 | 62% | 0.615 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | -177.9 | -45.3 | -54.7 | 0 | 0 | 0 | 112.1 | N2075 T2080 N2081 | N2075-D2077 VanDerWaalsContact C-N 3.35Å; N2075-D2077 PolarHBondContact ND2-OD2 3.47Å; N2075-D2077 PolarHBondContact O-N 3.45Å; N2075-D2077 PolarHBondContact OD1-N 3.15Å; D2077-T2080 PolarHBondContact O-N 3.32Å; D2077-N2081 VanDerWaalsContact O-CB 3.29Å; D2077-N2081 WeakPolarHBondContact O-CB 3.33Å; D2077-N2081 PolarHBondContact O-N 2.87Å |
| 2078 | Q | 84.6 | Confident | 85.5 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 179 | -65.7 | 157.7 | -6.6 | 0 | 0 | 111.7 | P2051 F2074 N2075 I2076 I2082 | P2051-Q2078 HydrophobicContact CB-CG 4.45Å; F2074-Q2078 HydrophobicContact CB-CB 4.38Å; F2074-Q2078 HydrophobicContact CD1-CB 3.8Å; N2075-Q2078 PolarHBondContact O-N 3.14Å; N2075-Q2078 VanDerWaalsContact OD1-CB 3.31Å; N2075-Q2078 WeakPolarHBondContact OD1-CB 3.42Å; N2075-Q2078 WeakPolarHBondContact OD1-CG 2.97Å; N2075-Q2078 PolarHBondContact OD1-N 2.92Å; N2075-Q2078 PolarHBondContact OD1-OE1 3.24Å; I2076-Q2078 PolarHBondContact O-N 2.93Å; Q2078-I2082 WeakPolarHBondContact O-CG1 3.27Å; Q2078-I2082 PolarHBondContact O-N 2.95Å; Q2078-I2082 VanDerWaalsContact O-N 3.14Å |
| 2079 | I | 87.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 174 | -56.1 | 155.6 | 0 | 0 | 0 | 109.6 | I2071 F2074 N2075 I2076 I2082 L2083 L2093 L2106 F2109 I2115 | I2071-I2079 HydrophobicContact CD1-CB 4.39Å; I2071-I2079 HydrophobicContact CD1-CG1 3.72Å; I2071-I2079 HydrophobicContact CD1-CG2 4.11Å; F2074-I2079 HydrophobicContact CB-CD1 4.39Å; F2074-I2079 HydrophobicContact CB-CG1 3.76Å; N2075-I2079 WeakPolarHBondContact O-CD1 3.46Å; N2075-I2079 WeakPolarHBondContact O-CG1 3.48Å; N2075-I2079 PolarHBondContact O-N 3.28Å; I2076-I2079 PolarHBondContact O-N 3.47Å; I2079-I2082 CarbonylContact O-C 3.58Å; I2079-I2082 PolarHBondContact O-N 3.46Å; I2079-L2083 HydrophobicContact CG2-CD1 3.87Å; I2079-L2083 HydrophobicContact CG2-CG 4.11Å; I2079-L2083 WeakPolarHBondContact O-CB 3.19Å; I2079-L2083 VanDerWaalsContact O-CG 3.26Å; I2079-L2083 WeakPolarHBondContact O-CG 3.26Å; I2079-L2083 PolarHBondContact O-N 2.74Å; I2079-L2093 HydrophobicContact CD1-CD1 4.36Å; I2079-L2093 HydrophobicContact CD1-CD2 3.7Å; I2079-L2106 HydrophobicContact CD1-CD1 3.65Å; I2079-F2109 HydrophobicContact CB-CE1 3.87Å; I2079-F2109 HydrophobicContact CD1-CD1 4.33Å; I2079-F2109 HydrophobicContact CD1-CE1 4.33Å; I2079-F2109 HydrophobicContact CG2-CE1 3.71Å; I2079-I2115 HydrophobicContact CG2-CD1 3.74Å |
| 2080 | T | 87 | Confident | 85 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 29% | 0.288 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 176.6 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | I2076 D2077 I2082 L2083 D2084 F2109 | I2076-T2080 WeakPolarHBondContact O-CB 3.37Å; I2076-T2080 PolarHBondContact O-N 3.07Å; I2076-T2080 PolarHBondContact O-OG1 3.07Å; D2077-T2080 PolarHBondContact O-N 3.32Å; T2080-I2082 VanDerWaalsContact C-N 3.29Å; T2080-I2082 PolarHBondContact O-N 2.85Å; T2080-L2083 CarbonylContact O-C 3.46Å; T2080-L2083 WeakPolarHBondContact O-CA 3.38Å; T2080-L2083 WeakPolarHBondContact O-CB 3.49Å; T2080-L2083 PolarHBondContact O-N 3.03Å; T2080-D2084 VanDerWaalsContact O-CG 3.26Å; T2080-D2084 PolarHBondContact O-N 2.83Å; T2080-F2109 VanDerWaalsContact OG1-CZ 3.29Å; T2080-F2109 WeakPolarHBondContact OG1-CZ 3.31Å |
| 2081 | N | 81.5 | Confident | 85 | Confident | 99 Ų | 99 | 55.7 Ų | 55.7 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.6 | -40.1 | 175.8 | -172.4 | -10.4 | 0 | 0 | 0 | 112.7 | D2077 N2085 | D2077-N2081 VanDerWaalsContact O-CB 3.29Å; D2077-N2081 WeakPolarHBondContact O-CB 3.33Å; D2077-N2081 PolarHBondContact O-N 2.87Å; N2081-N2085 WeakPolarHBondContact O-CB 3.46Å; N2081-N2085 PolarHBondContact O-N 2.92Å; N2081-N2085 VanDerWaalsContact O-N 3.11Å; N2081-N2085 PolarHBondContact O-ND2 2.88Å; N2081-N2085 PolarHBondContact OD1-ND2 2.79Å; N2081-N2085 VanDerWaalsContact OD1-ND2 3.09Å |
| 2082 | I | 82.8 | Confident | 85.2 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 171.9 | -75 | 177.6 | 0 | 0 | 0 | 111.8 | I2071 F2074 Q2078 I2079 T2080 D2084 N2085 S2086 P2090 | I2071-I2082 HydrophobicContact CG2-CD1 4.08Å; F2074-I2082 HydrophobicContact CD1-CD1 3.89Å; F2074-I2082 HydrophobicContact CE1-CD1 3.38Å; F2074-I2082 HydrophobicContact CZ-CD1 4.19Å; Q2078-I2082 WeakPolarHBondContact O-CG1 3.27Å; Q2078-I2082 PolarHBondContact O-N 2.95Å; Q2078-I2082 VanDerWaalsContact O-N 3.14Å; I2079-I2082 CarbonylContact O-C 3.58Å; I2079-I2082 PolarHBondContact O-N 3.46Å; T2080-I2082 VanDerWaalsContact C-N 3.29Å; T2080-I2082 PolarHBondContact O-N 2.85Å; I2082-D2084 PolarHBondContact O-N 3.01Å; I2082-N2085 PolarHBondContact O-N 3.04Å; I2082-S2086 WeakPolarHBondContact O-CB 3.16Å; I2082-S2086 PolarHBondContact O-N 3.42Å; I2082-S2086 PolarHBondContact O-OG 2.9Å; I2082-P2090 HydrophobicContact CG2-CG 4.05Å |
| 2083 | L | 85.6 | Confident | 85.5 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.1 | -28.6 | 179.5 | -71.9 | 170.5 | 0 | 0 | 0 | 112.3 | I2079 T2080 K2089 F2109 H2113 I2115 | I2079-L2083 HydrophobicContact CG2-CD1 3.87Å; I2079-L2083 HydrophobicContact CG2-CG 4.11Å; I2079-L2083 WeakPolarHBondContact O-CB 3.19Å; I2079-L2083 VanDerWaalsContact O-CG 3.26Å; I2079-L2083 WeakPolarHBondContact O-CG 3.26Å; I2079-L2083 PolarHBondContact O-N 2.74Å; T2080-L2083 CarbonylContact O-C 3.46Å; T2080-L2083 WeakPolarHBondContact O-CA 3.38Å; T2080-L2083 WeakPolarHBondContact O-CB 3.49Å; T2080-L2083 PolarHBondContact O-N 3.03Å; L2083-K2089 HydrophobicContact CD2-CB 4.04Å; L2083-K2089 HydrophobicContact CD2-CD 3.8Å; L2083-K2089 HydrophobicContact CD2-CG 4.24Å; L2083-K2089 WeakPolarHBondContact O-CE 3.13Å; L2083-K2089 PolarHBondContact O-NZ 2.79Å; L2083-F2109 HydrophobicContact CD1-CE1 4.21Å; L2083-F2109 HydrophobicContact CD1-CZ 4.15Å; L2083-H2113 HydrophobicContact CD1-CB 3.93Å; L2083-I2115 HydrophobicContact CD1-CD1 4.28Å; L2083-I2115 HydrophobicContact CD2-CD1 4.23Å |
| 2084 | D | 84.7 | Confident | 85.8 | Confident | 120 Ų | 120 | 52.6 Ų | 52.6 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -84.7 | -34.7 | 178.3 | -63.5 | -25.3 | 0 | 0 | 0 | 112.7 | T2080 I2082 | T2080-D2084 VanDerWaalsContact O-CG 3.26Å; T2080-D2084 PolarHBondContact O-N 2.83Å; I2082-D2084 PolarHBondContact O-N 3.01Å |
| 2085 | N | 79.7 | Confident | 85.9 | Confident | 127 Ų | 127 | 52.4 Ų | 52.4 | 68% | 0.679 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -106.3 | -16.4 | -171.1 | -68 | -86.1 | 0 | 0 | 0 | 115.7 | N2081 I2082 | N2081-N2085 WeakPolarHBondContact O-CB 3.46Å; N2081-N2085 PolarHBondContact O-N 2.92Å; N2081-N2085 VanDerWaalsContact O-N 3.11Å; N2081-N2085 PolarHBondContact O-ND2 2.88Å; N2081-N2085 PolarHBondContact OD1-ND2 2.79Å; N2081-N2085 VanDerWaalsContact OD1-ND2 3.09Å; I2082-N2085 PolarHBondContact O-N 3.04Å |
| 2086 | S | 77.5 | Confident | 85.5 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | trans | -92.8 | 142.9 | 177.8 | 87.2 | 0 | 0 | 0 | 0 | 112.7 | I2082 V2088 | I2082-S2086 WeakPolarHBondContact O-CB 3.16Å; I2082-S2086 PolarHBondContact O-N 3.42Å; I2082-S2086 PolarHBondContact O-OG 2.9Å; S2086-V2088 PolarHBondContact OG-O 3.46Å | ||
| 2087 | K | 80.1 | Confident | 84.6 | Confident | 189 Ų | 189 | 49.7 Ų | 49.7 | 82% | 0.822 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -77.8 | -40.1 | 173.4 | -62.6 | -176.9 | 177.9 | -174.9 | 0 | 110.4 | E2058 | E2058-K2087 WeakPolarHBondContact OE1-CA 3.27Å; E2058-K2087 WeakPolarHBondContact OE1-CB 3.43Å; E2058-K2087 PolarHBondContact OE1-N 3.42Å |
| 2088 | V | 82.8 | Confident | 83.7 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -97.7 | 107.2 | 172.6 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | E2058 F2061 I2069 S2086 | E2058-V2088 HydrophobicContact CB-CG2 4.05Å; E2058-V2088 HydrophobicContact CG-CB 4.1Å; E2058-V2088 HydrophobicContact CG-CG2 4Å; E2058-V2088 PolarHBondContact OE1-N 2.76Å; F2061-V2088 HydrophobicContact CD1-CG1 3.76Å; F2061-V2088 HydrophobicContact CD1-CG2 4.07Å; F2061-V2088 HydrophobicContact CE1-CG1 3.81Å; F2061-V2088 HydrophobicContact CE1-CG2 4.41Å; F2061-V2088 HydrophobicContact CG-CG1 4.32Å; F2061-V2088 HydrophobicContact CZ-CG1 4.41Å; I2069-V2088 HydrophobicContact CD1-CB 3.91Å; I2069-V2088 HydrophobicContact CD1-CG1 3.59Å; I2069-V2088 HydrophobicContact CG1-CG1 3.85Å; S2086-V2088 PolarHBondContact OG-O 3.46Å |
| 2089 | K | 86.3 | Confident | 82.1 | Confident | 79 Ų | 79 | 46.1 Ų | 46.1 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | trans | -76.1 | 144.8 | -179.6 | -58.2 | -163.3 | -177 | -151.4 | 0 | 110.5 | L2083 Q2091 | L2083-K2089 HydrophobicContact CD2-CB 4.04Å; L2083-K2089 HydrophobicContact CD2-CD 3.8Å; L2083-K2089 HydrophobicContact CD2-CG 4.24Å; L2083-K2089 WeakPolarHBondContact O-CE 3.13Å; L2083-K2089 PolarHBondContact O-NZ 2.79Å; K2089-Q2091 PolarHBondContact O-NE2 2.99Å | ||
| 2090 | P | 89 | Confident | 80.3 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | trans | -62 | 137.9 | -179.5 | 24.4 | -33.9 | 0 | 0 | 0 | 111.6 | I2071 I2082 I2115 | I2071-P2090 HydrophobicContact CD1-CB 4.01Å; I2071-P2090 HydrophobicContact CD1-CG 3.88Å; I2071-P2090 HydrophobicContact CG1-CB 3.79Å; I2071-P2090 HydrophobicContact CG1-CG 4.24Å; I2071-P2090 HydrophobicContact CG2-CB 4.41Å; I2082-P2090 HydrophobicContact CG2-CG 4.05Å; P2090-I2115 HydrophobicContact CG-CD1 4.34Å | ||
| 2091 | Q | 91.1 | Very high | 78.9 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -89.2 | -27.5 | -177.7 | -55.4 | -59.5 | -66.3 | 0 | 0 | 112.5 | L1912 R1913 I2069 K2089 S2116 | L1912-Q2091 HydrophobicContact CB-CB 4.48Å; L1912-Q2091 HydrophobicContact CD1-CB 4.45Å; R1913-Q2091 VanDerWaalsContact C-OE1 3.23Å; R1913-Q2091 VanDerWaalsContact CB-OE1 3.25Å; I2069-Q2091 WeakPolarHBondContact O-CB 3.34Å; I2069-Q2091 WeakPolarHBondContact O-CG 3.44Å; I2069-Q2091 PolarHBondContact O-N 3.29Å; K2089-Q2091 PolarHBondContact O-NE2 2.99Å; Q2091-S2116 PolarHBondContact O-N 2.87Å; Q2091-S2116 PolarHBondContact O-OG 2.99Å; Q2091-S2116 VanDerWaalsContact O-OG 3.06Å |
| 2092 | N | 94.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 144.5 | -177.5 | -177.3 | -109.8 | 0 | 0 | 0 | 110.9 | L2045 G2070 I2071 S2116 T2118 | L2045-N2092 HydrophobicContact CD1-CB 4.15Å; L2045-N2092 HydrophobicContact CD2-CB 3.82Å; G2070-N2092 WeakPolarHBondContact CA-O 3.27Å; I2071-N2092 WeakPolarHBondContact CG1-O 3.27Å; I2071-N2092 PolarHBondContact N-O 2.86Å; N2092-S2116 CarbonylContact C-O 3.48Å; N2092-S2116 WeakPolarHBondContact CA-O 3.01Å; N2092-S2116 WeakPolarHBondContact CB-OG 3.13Å; N2092-S2116 PolarHBondContact ND2-O 3.25Å; N2092-S2116 VanDerWaalsContact ND2-O 3.07Å; N2092-S2116 PolarHBondContact ND2-OG 3.07Å; N2092-T2118 PolarHBondContact ND2-OG1 2.88Å; N2092-T2118 PolarHBondContact OD1-OG1 2.82Å |
| 2093 | L | 93.9 | Very high | 77.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.5 | 163.5 | 175.9 | 67.4 | 0 | 0 | 0 | 109.4 | I2071 F2074 I2079 V2095 L2106 C2110 I2115 S2116 F2117 T2118 | I2071-L2093 HydrophobicContact CD1-CD1 4.03Å; I2071-L2093 HydrophobicContact CG1-CD1 3.92Å; I2071-L2093 CarbonylContact O-C 3.53Å; I2071-L2093 WeakPolarHBondContact O-CA 3.44Å; F2074-L2093 HydrophobicContact CB-CD1 4.08Å; I2079-L2093 HydrophobicContact CD1-CD1 4.36Å; I2079-L2093 HydrophobicContact CD1-CD2 3.7Å; L2093-V2095 HydrophobicContact CD1-CG1 4Å; L2093-V2095 HydrophobicContact CD2-CG1 4.16Å; L2093-V2095 HydrophobicContact CG-CG1 3.95Å; L2093-L2106 HydrophobicContact CD2-CD1 4.09Å; L2093-L2106 HydrophobicContact CD2-CD2 3.84Å; L2093-L2106 HydrophobicContact CD2-CG 3.7Å; L2093-C2110 WeakPolarHBondContact CD2-SG 3.33Å; L2093-I2115 HydrophobicContact CB-CG2 4.2Å; L2093-S2116 PolarHBondContact N-O 2.73Å; L2093-F2117 HydrophobicContact CD2-CD2 4.23Å; L2093-F2117 HydrophobicContact CD2-CE2 4.04Å; L2093-T2118 PolarHBondContact O-N 3.13Å |
| 2094 | Q | 91.5 | Very high | 77.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.2 | 174.9 | 178.3 | 166.3 | -3.8 | 0 | 0 | 111.7 | D1965 L2047 I2071 S2072 N2073 T2118 Y2120 I2148 | D1965-Q2094 PolarHBondContact OD1-NE2 2.75Å; D1965-Q2094 PolarHBondContact OD2-NE2 2.86Å; D1965-Q2094 PolarHBondContact OD2-OE1 3.47Å; L2047-Q2094 HydrophobicContact CD1-CB 3.91Å; L2047-Q2094 HydrophobicContact CD1-CG 4.49Å; I2071-Q2094 PolarHBondContact O-N 2.8Å; S2072-Q2094 CarbonylContact C-O 3.59Å; S2072-Q2094 WeakPolarHBondContact CA-O 3.35Å; S2072-Q2094 PolarHBondContact OG-O 2.92Å; N2073-Q2094 PolarHBondContact N-O 3.46Å; Q2094-T2118 WeakPolarHBondContact CA-O 3.41Å; Q2094-T2118 HydrophobicContact CB-CG2 4.36Å; Q2094-T2118 HydrophobicContact CG-CG2 4Å; Q2094-Y2120 HydrophobicContact CG-CD1 3.79Å; Q2094-I2148 VanDerWaalsContact NE2-CD1 3.34Å |
| 2095 | V | 86.5 | Confident | 76.7 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159 | -176.2 | -73 | 0 | 0 | 0 | 0 | 111.2 | L2093 C2097 L2106 F2117 T2118 A2119 Y2120 | L2093-V2095 HydrophobicContact CD1-CG1 4Å; L2093-V2095 HydrophobicContact CD2-CG1 4.16Å; L2093-V2095 HydrophobicContact CG-CG1 3.95Å; V2095-C2097 PolarHBondContact O-N 2.95Å; V2095-L2106 HydrophobicContact CG1-CD2 4.04Å; V2095-L2106 HydrophobicContact CG2-CD2 4.37Å; V2095-F2117 HydrophobicContact CG2-CE1 3.86Å; V2095-F2117 HydrophobicContact CG2-CE2 3.72Å; V2095-F2117 HydrophobicContact CG2-CZ 3.29Å; V2095-T2118 PolarHBondContact N-O 3.48Å; V2095-T2118 VanDerWaalsContact O-O 3.14Å; V2095-A2119 WeakPolarHBondContact O-CA 3.26Å; V2095-Y2120 WeakPolarHBondContact O-CD1 3.48Å; V2095-Y2120 PolarHBondContact O-N 2.75Å |
| 2096 | E | 77.7 | Confident | 76.8 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 125.6 | 166 | -163.7 | 144.4 | -162.3 | 0 | 0 | 108 | H2098 W2101 Q2103 Y2120 A2121 | E2096-H2098 IonicContact OE1-CD2 3.19Å; E2096-H2098 IonicContact OE1-NE2 3.37Å; E2096-W2101 VanDerWaalsContact O-CD1 3.23Å; E2096-Q2103 WeakPolarHBondContact O-CG 3.38Å; E2096-Y2120 WeakPolarHBondContact CA-O 3.34Å; E2096-Y2120 HydrophobicContact CB-CD2 4.29Å; E2096-Y2120 HydrophobicContact CB-CE1 4.29Å; E2096-Y2120 HydrophobicContact CB-CE2 3.63Å; E2096-Y2120 HydrophobicContact CG-CD2 4.49Å; E2096-Y2120 HydrophobicContact CG-CE2 3.99Å; E2096-A2121 HydrophobicContact CG-CB 4.42Å |
| 2097 | C | 71.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -152.4 | 107.7 | -178.7 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | V2095 W2101 P2102 Q2103 F2117 A2119 Y2120 P2122 | V2095-C2097 PolarHBondContact O-N 2.95Å; C2097-W2101 WeakPolarHBondContact CA-O 2.97Å; C2097-P2102 PolarHBondContact SG-O 3.01Å; C2097-P2102 VanDerWaalsContact SG-O 3.37Å; C2097-Q2103 HydrophobicContact CB-CB 4.37Å; C2097-Q2103 HydrophobicContact CB-CG 4.47Å; C2097-F2117 HydrophobicContact CB-CE1 3.97Å; C2097-F2117 HydrophobicContact CB-CZ 4.47Å; C2097-A2119 HydrophobicContact CB-CB 3.7Å; C2097-Y2120 PolarHBondContact N-O 3.45Å; C2097-P2122 WeakPolarHBondContact O-CA 3.29Å | ||
| 2098 | H | 63.2 | Low | 77.4 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -149.6 | 178 | -175.3 | 57.3 | 59.2 | 0 | 0 | 0 | 110.6 | E2096 Y2100 W2101 P2102 P2122 G2124 L2136 | E2096-H2098 IonicContact OE1-CD2 3.19Å; E2096-H2098 IonicContact OE1-NE2 3.37Å; H2098-Y2100 VanDerWaalsContact C-N 3.32Å; H2098-Y2100 PolarHBondContact ND1-N 2.77Å; H2098-Y2100 PolarHBondContact O-N 3.14Å; H2098-Y2100 VanDerWaalsContact O-N 3.17Å; H2098-W2101 WeakPolarHBondContact CE1-CB 3.41Å; H2098-W2101 PolarHBondContact N-O 3.37Å; H2098-W2101 PolarHBondContact ND1-N 3.3Å; H2098-W2101 CarbonylContact O-C 3.57Å; H2098-W2101 WeakPolarHBondContact O-CA 3.37Å; H2098-W2101 PolarHBondContact O-N 2.03Å; H2098-P2102 WeakPolarHBondContact O-CA 3.38Å; H2098-P2122 VanDerWaalsContact CB-O 3.23Å; H2098-P2122 WeakPolarHBondContact CB-O 3.47Å; H2098-G2124 VanDerWaalsContact CD2-CA 3.46Å; H2098-G2124 WeakPolarHBondContact CD2-CA 3.38Å; H2098-L2136 HydrophobicContact CB-CD2 4.47Å |
| 2099 | L | 49.8 | Very low | 77.7 | Confident | 90 Ų | 90 | 38.1 Ų | 38.1 | 47% | 0.471 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -42.4 | -173.1 | -171.9 | 66.2 | 0 | 0 | 0 | 114.1 | W2101 L2136 | L2099-W2101 PolarHBondContact O-N 3.2Å; L2099-L2136 HydrophobicContact CB-CD1 4Å; L2099-L2136 HydrophobicContact CB-CD2 3.82Å |
| 2100 | Y | 49.8 | Very low | 77.7 | Confident | 79 Ų | 79 | 34.3 Ų | 34.3 | 31% | 0.31 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 1.4 | 176.4 | -50.3 | -82.1 | 0 | 0 | 0 | 114.5 | H2098 Y2129 | H2098-Y2100 VanDerWaalsContact C-N 3.32Å; H2098-Y2100 PolarHBondContact ND1-N 2.77Å; H2098-Y2100 PolarHBondContact O-N 3.14Å; H2098-Y2100 VanDerWaalsContact O-N 3.17Å; Y2100-Y2129 HydrophobicContact CD1-CE1 4.31Å; Y2100-Y2129 HydrophobicContact CD2-CD1 4.33Å; Y2100-Y2129 AromaticContact CD2-CD2 3.67Å; Y2100-Y2129 HydrophobicContact CD2-CD2 3.67Å; Y2100-Y2129 HydrophobicContact CD2-CE1 4.27Å; Y2100-Y2129 AromaticContact CD2-CE2 3.61Å; Y2100-Y2129 HydrophobicContact CD2-CE2 3.61Å; Y2100-Y2129 HydrophobicContact CD2-CG 4.02Å; Y2100-Y2129 AromaticContact CD2-CZ 3.89Å; Y2100-Y2129 HydrophobicContact CE1-CD1 4.16Å; Y2100-Y2129 AromaticContact CE1-CE1 3.76Å; Y2100-Y2129 HydrophobicContact CE1-CE1 3.76Å; Y2100-Y2129 AromaticContact CE2-CD1 3.47Å; Y2100-Y2129 HydrophobicContact CE2-CD1 3.47Å; Y2100-Y2129 VanDerWaalsContact CE2-CD1 3.47Å; Y2100-Y2129 AromaticContact CE2-CD2 3.46Å; Y2100-Y2129 HydrophobicContact CE2-CD2 3.46Å; Y2100-Y2129 VanDerWaalsContact CE2-CD2 3.46Å; Y2100-Y2129 AromaticContact CE2-CE1 3.74Å; Y2100-Y2129 HydrophobicContact CE2-CE1 3.74Å; Y2100-Y2129 AromaticContact CE2-CE2 3.74Å; Y2100-Y2129 HydrophobicContact CE2-CE2 3.74Å; Y2100-Y2129 AromaticContact CE2-CG 3.3Å; Y2100-Y2129 HydrophobicContact CE2-CG 3.3Å; Y2100-Y2129 AromaticContact CE2-CZ 3.84Å; Y2100-Y2129 HydrophobicContact CG-CE2 4.1Å; Y2100-Y2129 AromaticContact CZ-CD1 3.36Å; Y2100-Y2129 AromaticContact CZ-CE1 3.45Å; Y2100-Y2129 VanDerWaalsContact CZ-CE1 3.45Å; Y2100-Y2129 AromaticContact CZ-CG 3.74Å; Y2100-Y2129 AromaticContact CZ-CZ 3.92Å; Y2100-Y2129 VanDerWaalsContact OH-CD1 3.25Å; Y2100-Y2129 WeakPolarHBondContact OH-CD1 3.43Å |
| 2101 | W | 57.4 | Low | 77.5 | Confident | 81 Ų | 81 | 40 Ų | 40 | 31% | 0.307 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -158.8 | 59.5 | -174.4 | -163.2 | -109.3 | 0 | 0 | 0 | 111.6 | R1841 E2096 C2097 H2098 L2099 Q2103 | R1841-W2101 HydrophobicContact CB-CZ3 4.39Å; R1841-W2101 HydrophobicContact CG-CE3 4.25Å; R1841-W2101 HydrophobicContact CG-CH2 3.72Å; R1841-W2101 HydrophobicContact CG-CZ3 3.31Å; E2096-W2101 VanDerWaalsContact O-CD1 3.23Å; C2097-W2101 WeakPolarHBondContact CA-O 2.97Å; H2098-W2101 WeakPolarHBondContact CE1-CB 3.41Å; H2098-W2101 PolarHBondContact N-O 3.37Å; H2098-W2101 PolarHBondContact ND1-N 3.3Å; H2098-W2101 CarbonylContact O-C 3.57Å; H2098-W2101 WeakPolarHBondContact O-CA 3.37Å; H2098-W2101 PolarHBondContact O-N 2.03Å; L2099-W2101 PolarHBondContact O-N 3.2Å; W2101-Q2103 VanDerWaalsContact C-N 3.29Å; W2101-Q2103 PolarHBondContact O-N 2.86Å |
| 2102 | P | 65.7 | Low | 77.4 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | trans | -79.7 | -0.4 | -161.6 | 31 | -37.4 | 0 | 0 | 0 | 115.7 | C2097 H2098 F2104 W2139 | C2097-P2102 PolarHBondContact SG-O 3.01Å; C2097-P2102 VanDerWaalsContact SG-O 3.37Å; H2098-P2102 WeakPolarHBondContact O-CA 3.38Å; P2102-F2104 HydrophobicContact CB-CD2 3.89Å; P2102-F2104 HydrophobicContact CB-CE1 4.37Å; P2102-F2104 HydrophobicContact CB-CE2 3.55Å; P2102-F2104 HydrophobicContact CB-CG 4.43Å; P2102-F2104 HydrophobicContact CB-CZ 3.81Å; P2102-F2104 HydrophobicContact CG-CD2 3.6Å; P2102-F2104 HydrophobicContact CG-CE2 3.36Å; P2102-F2104 HydrophobicContact CG-CZ 4.13Å; P2102-F2104 PolarHBondContact O-N 3.31Å; P2102-W2139 HydrophobicContact CB-CH2 4.38Å | ||
| 2103 | Q | 73.3 | Confident | 77 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | trans | 47 | 28.3 | 173.9 | -69.5 | -58.4 | -34.2 | 0 | 0 | 117 | E2096 C2097 W2101 E2105 L2106 H2107 F2117 | E2096-Q2103 WeakPolarHBondContact O-CG 3.38Å; C2097-Q2103 HydrophobicContact CB-CB 4.37Å; C2097-Q2103 HydrophobicContact CB-CG 4.47Å; W2101-Q2103 VanDerWaalsContact C-N 3.29Å; W2101-Q2103 PolarHBondContact O-N 2.86Å; Q2103-E2105 VanDerWaalsContact C-N 3.35Å; Q2103-E2105 PolarHBondContact O-N 3.27Å; Q2103-E2105 VanDerWaalsContact O-N 3.16Å; Q2103-L2106 HydrophobicContact CB-CB 4.39Å; Q2103-L2106 WeakPolarHBondContact O-CB 3.34Å; Q2103-L2106 PolarHBondContact O-N 3.43Å; Q2103-H2107 PolarHBondContact O-N 3.21Å; Q2103-F2117 HydrophobicContact CB-CZ 3.82Å | ||
| 2104 | F | 75.4 | Confident | 76.8 | Confident | 67 Ų | 67 | 57 Ų | 57 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -48.4 | -47.1 | -173.3 | -72 | -60.1 | 0 | 0 | 0 | 115.5 | E1836 P2102 L2106 H2107 E2108 W2139 | E1836-F2104 VanDerWaalsContact OE2-CE2 3.3Å; E1836-F2104 WeakPolarHBondContact OE2-CE2 3.21Å; P2102-F2104 HydrophobicContact CB-CD2 3.89Å; P2102-F2104 HydrophobicContact CB-CE1 4.37Å; P2102-F2104 HydrophobicContact CB-CE2 3.55Å; P2102-F2104 HydrophobicContact CB-CG 4.43Å; P2102-F2104 HydrophobicContact CB-CZ 3.81Å; P2102-F2104 HydrophobicContact CG-CD2 3.6Å; P2102-F2104 HydrophobicContact CG-CE2 3.36Å; P2102-F2104 HydrophobicContact CG-CZ 4.13Å; P2102-F2104 PolarHBondContact O-N 3.31Å; F2104-L2106 VanDerWaalsContact C-N 3.34Å; F2104-L2106 PolarHBondContact O-N 3.28Å; F2104-H2107 PolarHBondContact O-N 3.1Å; F2104-E2108 PolarHBondContact O-N 2.8Å; F2104-W2139 AromaticContact CE1-CH2 3.39Å; F2104-W2139 HydrophobicContact CE1-CH2 3.39Å; F2104-W2139 AromaticContact CE1-CZ2 3.53Å; F2104-W2139 HydrophobicContact CE1-CZ2 3.53Å; F2104-W2139 AromaticContact CZ-CH2 3.46Å; F2104-W2139 HydrophobicContact CZ-CH2 3.46Å; F2104-W2139 VanDerWaalsContact CZ-CH2 3.46Å; F2104-W2139 AromaticContact CZ-CZ2 3.57Å; F2104-W2139 HydrophobicContact CZ-CZ2 3.57Å |
| 2105 | E | 75.3 | Confident | 76.7 | Confident | 149 Ų | 149 | 57.3 Ų | 57.3 | 70% | 0.696 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.4 | -36.6 | -177.5 | -167.1 | 174.3 | -156.1 | 0 | 0 | 112.1 | I2076 Q2103 F2109 | I2076-E2105 HydrophobicContact CD1-CG 3.94Å; Q2103-E2105 VanDerWaalsContact C-N 3.35Å; Q2103-E2105 PolarHBondContact O-N 3.27Å; Q2103-E2105 VanDerWaalsContact O-N 3.16Å; E2105-F2109 VanDerWaalsContact O-CB 3.27Å; E2105-F2109 WeakPolarHBondContact O-CB 3.22Å; E2105-F2109 PolarHBondContact O-N 3.33Å |
| 2106 | L | 81.6 | Confident | 77 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.2 | -35.7 | 176.4 | -165.7 | 66.3 | 0 | 0 | 0 | 111.4 | I2076 I2079 L2093 V2095 Q2103 F2104 C2110 F2117 | I2076-L2106 HydrophobicContact CG1-CD1 3.59Å; I2079-L2106 HydrophobicContact CD1-CD1 3.65Å; L2093-L2106 HydrophobicContact CD2-CD1 4.09Å; L2093-L2106 HydrophobicContact CD2-CD2 3.84Å; L2093-L2106 HydrophobicContact CD2-CG 3.7Å; V2095-L2106 HydrophobicContact CG1-CD2 4.04Å; V2095-L2106 HydrophobicContact CG2-CD2 4.37Å; Q2103-L2106 HydrophobicContact CB-CB 4.39Å; Q2103-L2106 WeakPolarHBondContact O-CB 3.34Å; Q2103-L2106 PolarHBondContact O-N 3.43Å; F2104-L2106 VanDerWaalsContact C-N 3.34Å; F2104-L2106 PolarHBondContact O-N 3.28Å; L2106-C2110 WeakPolarHBondContact O-CB 3.16Å; L2106-C2110 PolarHBondContact O-N 2.78Å; L2106-F2117 HydrophobicContact CB-CE2 4.24Å; L2106-F2117 HydrophobicContact CD2-CE2 4.35Å; L2106-F2117 HydrophobicContact CG-CE2 4.09Å |
| 2107 | H | 86 | Confident | 77.6 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.9 | -50.9 | 172.1 | 171.1 | -113.2 | 0 | 0 | 0 | 111.8 | Q2103 F2104 F2109 C2110 K2111 F2117 R2143 I2145 | Q2103-H2107 PolarHBondContact O-N 3.21Å; F2104-H2107 PolarHBondContact O-N 3.1Å; H2107-F2109 VanDerWaalsContact C-N 3.32Å; H2107-F2109 PolarHBondContact O-N 2.83Å; H2107-C2110 PolarHBondContact O-N 3.05Å; H2107-K2111 WeakPolarHBondContact O-CB 3.48Å; H2107-K2111 PolarHBondContact O-N 3.18Å; H2107-F2117 HydrophobicContact CB-CD1 4.36Å; H2107-F2117 HydrophobicContact CB-CD2 4.19Å; H2107-F2117 HydrophobicContact CB-CE1 4.24Å; H2107-F2117 HydrophobicContact CB-CE2 4.06Å; H2107-F2117 HydrophobicContact CB-CG 4.32Å; H2107-F2117 HydrophobicContact CB-CZ 4.08Å; H2107-F2117 AromaticContact CD2-CD1 3.98Å; H2107-F2117 AromaticContact CD2-CG 3.82Å; H2107-R2143 PolarHBondContact NE2-O 2.74Å; H2107-I2145 VanDerWaalsContact CD2-CG1 3.45Å; H2107-I2145 WeakPolarHBondContact CD2-CG1 3.47Å; H2107-I2145 WeakPolarHBondContact NE2-CG1 2.95Å |
| 2108 | E | 83.3 | Confident | 78.6 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 30% | 0.299 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.4 | -33.7 | 177.2 | -79.6 | -67.3 | 140 | 0 | 0 | 112.2 | F2104 K2111 R2112 | F2104-E2108 PolarHBondContact O-N 2.8Å; E2108-K2111 WeakPolarHBondContact OE1-CD 3.08Å; E2108-K2111 IonicContact OE1-NZ 2.69Å; E2108-K2111 PolarHBondContact OE1-NZ 2.83Å; E2108-K2111 VanDerWaalsContact OE1-NZ 3.11Å; E2108-R2112 VanDerWaalsContact O-CG 3.22Å; E2108-R2112 WeakPolarHBondContact O-CG 3.41Å; E2108-R2112 PolarHBondContact O-N 2.97Å |
| 2109 | F | 89.6 | Confident | 79.4 | Confident | 25 Ų | 25 | 54.4 Ų | 54.4 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -51.3 | 170 | -178.8 | -92.5 | 0 | 0 | 0 | 112 | I2076 I2079 T2080 L2083 E2105 H2107 K2111 R2112 H2113 | I2076-F2109 HydrophobicContact CD1-CB 4.09Å; I2076-F2109 HydrophobicContact CD1-CD2 4.48Å; I2076-F2109 HydrophobicContact CD1-CG 4.31Å; I2076-F2109 HydrophobicContact CG1-CB 4.17Å; I2076-F2109 HydrophobicContact CG1-CD1 4.31Å; I2076-F2109 HydrophobicContact CG1-CD2 4.38Å; I2076-F2109 HydrophobicContact CG1-CG 4.02Å; I2076-F2109 HydrophobicContact CG2-CD2 3.73Å; I2076-F2109 HydrophobicContact CG2-CE1 4.47Å; I2076-F2109 HydrophobicContact CG2-CE2 3.68Å; I2076-F2109 HydrophobicContact CG2-CG 4.16Å; I2076-F2109 HydrophobicContact CG2-CZ 4.07Å; I2079-F2109 HydrophobicContact CB-CE1 3.87Å; I2079-F2109 HydrophobicContact CD1-CD1 4.33Å; I2079-F2109 HydrophobicContact CD1-CE1 4.33Å; I2079-F2109 HydrophobicContact CG2-CE1 3.71Å; T2080-F2109 VanDerWaalsContact OG1-CZ 3.29Å; T2080-F2109 WeakPolarHBondContact OG1-CZ 3.31Å; L2083-F2109 HydrophobicContact CD1-CE1 4.21Å; L2083-F2109 HydrophobicContact CD1-CZ 4.15Å; E2105-F2109 VanDerWaalsContact O-CB 3.27Å; E2105-F2109 WeakPolarHBondContact O-CB 3.22Å; E2105-F2109 PolarHBondContact O-N 3.33Å; H2107-F2109 VanDerWaalsContact C-N 3.32Å; H2107-F2109 PolarHBondContact O-N 2.83Å; F2109-K2111 VanDerWaalsContact C-N 3.31Å; F2109-K2111 PolarHBondContact O-N 3.12Å; F2109-R2112 PolarHBondContact O-N 2.99Å; F2109-H2113 AromaticContact CD2-CD2 3.79Å; F2109-H2113 AromaticContact CD2-NE2 3.92Å; F2109-H2113 AromaticContact CE1-CD2 3.65Å; F2109-H2113 AromaticContact CE2-CD2 3.41Å; F2109-H2113 VanDerWaalsContact CE2-CD2 3.41Å; F2109-H2113 WeakPolarHBondContact CE2-CD2 3.01Å; F2109-H2113 AromaticContact CE2-NE2 3.27Å; F2109-H2113 VanDerWaalsContact CE2-NE2 3.27Å; F2109-H2113 WeakPolarHBondContact CE2-NE2 3.35Å; F2109-H2113 AromaticContact CZ-CD2 3.33Å; F2109-H2113 WeakPolarHBondContact CZ-CD2 3.5Å; F2109-H2113 AromaticContact CZ-NE2 3.48Å; F2109-H2113 WeakPolarHBondContact CZ-NE2 3.32Å; F2109-H2113 PolarHBondContact O-CD2 2.8Å; F2109-H2113 VanDerWaalsContact O-CD2 3.3Å; F2109-H2113 PolarHBondContact O-N 3.29Å; F2109-H2113 VanDerWaalsContact O-N 3.08Å |
| 2110 | C | 86.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | 176.5 | -83.1 | 0 | 0 | 0 | 0 | 112.4 | L2093 L2106 H2107 R2112 H2113 N2114 I2115 F2117 | L2093-C2110 WeakPolarHBondContact CD2-SG 3.33Å; L2106-C2110 WeakPolarHBondContact O-CB 3.16Å; L2106-C2110 PolarHBondContact O-N 2.78Å; H2107-C2110 PolarHBondContact O-N 3.05Å; C2110-R2112 PolarHBondContact O-N 3.38Å; C2110-H2113 CarbonylContact O-C 3.59Å; C2110-H2113 PolarHBondContact O-N 3.44Å; C2110-N2114 PolarHBondContact O-N 3.15Å; C2110-I2115 CarbonylContact C-O 3.46Å; C2110-I2115 HydrophobicContact CB-CB 4.08Å; C2110-I2115 WeakPolarHBondContact CB-O 3.34Å; C2110-I2115 PolarHBondContact O-N 2.89Å; C2110-F2117 HydrophobicContact CB-CD2 4Å |
| 2111 | K | 84.2 | Confident | 81.4 | Confident | 123 Ų | 123 | 48.9 Ų | 48.9 | 54% | 0.535 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.2 | -170.9 | 178.6 | 177.6 | -175.6 | 0 | 112.1 | H2107 E2108 F2109 H2113 N2114 | H2107-K2111 WeakPolarHBondContact O-CB 3.48Å; H2107-K2111 PolarHBondContact O-N 3.18Å; E2108-K2111 WeakPolarHBondContact OE1-CD 3.08Å; E2108-K2111 IonicContact OE1-NZ 2.69Å; E2108-K2111 PolarHBondContact OE1-NZ 2.83Å; E2108-K2111 VanDerWaalsContact OE1-NZ 3.11Å; F2109-K2111 VanDerWaalsContact C-N 3.31Å; F2109-K2111 PolarHBondContact O-N 3.12Å; K2111-H2113 VanDerWaalsContact C-N 3.32Å; K2111-H2113 PolarHBondContact O-N 2.81Å; K2111-N2114 PolarHBondContact O-N 2.83Å |
| 2112 | R | 88.4 | Confident | 81.4 | Confident | 195 Ų | 195 | 45 Ų | 45 | 74% | 0.736 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.6 | -36.5 | 175.5 | -71 | 167.5 | -165.8 | -173.7 | 4.5 | 113.1 | E2108 F2109 C2110 N2114 | E2108-R2112 VanDerWaalsContact O-CG 3.22Å; E2108-R2112 WeakPolarHBondContact O-CG 3.41Å; E2108-R2112 PolarHBondContact O-N 2.97Å; F2109-R2112 PolarHBondContact O-N 2.99Å; C2110-R2112 PolarHBondContact O-N 3.38Å; R2112-N2114 VanDerWaalsContact C-N 3.33Å |
| 2113 | H | 87.3 | Confident | 80.9 | Confident | 77 Ų | 77 | 45.5 Ų | 45.5 | 36% | 0.356 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5.4 | 179.3 | -70.9 | -72.1 | 0 | 0 | 0 | 114.4 | R1913 L2083 F2109 C2110 K2111 I2115 | R1913-H2113 PolarHBondContact NH1-O 3.06Å; L2083-H2113 HydrophobicContact CD1-CB 3.93Å; F2109-H2113 AromaticContact CD2-CD2 3.79Å; F2109-H2113 AromaticContact CD2-NE2 3.92Å; F2109-H2113 AromaticContact CE1-CD2 3.65Å; F2109-H2113 AromaticContact CE2-CD2 3.41Å; F2109-H2113 VanDerWaalsContact CE2-CD2 3.41Å; F2109-H2113 WeakPolarHBondContact CE2-CD2 3.01Å; F2109-H2113 AromaticContact CE2-NE2 3.27Å; F2109-H2113 VanDerWaalsContact CE2-NE2 3.27Å; F2109-H2113 WeakPolarHBondContact CE2-NE2 3.35Å; F2109-H2113 AromaticContact CZ-CD2 3.33Å; F2109-H2113 WeakPolarHBondContact CZ-CD2 3.5Å; F2109-H2113 AromaticContact CZ-NE2 3.48Å; F2109-H2113 WeakPolarHBondContact CZ-NE2 3.32Å; F2109-H2113 PolarHBondContact O-CD2 2.8Å; F2109-H2113 VanDerWaalsContact O-CD2 3.3Å; F2109-H2113 PolarHBondContact O-N 3.29Å; F2109-H2113 VanDerWaalsContact O-N 3.08Å; C2110-H2113 CarbonylContact O-C 3.59Å; C2110-H2113 PolarHBondContact O-N 3.44Å; K2111-H2113 VanDerWaalsContact C-N 3.32Å; K2111-H2113 PolarHBondContact O-N 2.81Å; H2113-I2115 HydrophobicContact CB-CD1 4.06Å; H2113-I2115 HydrophobicContact CB-CG1 4.13Å |
| 2114 | N | 88.3 | Confident | 79.7 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 53% | 0.529 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 55.3 | -174.5 | -164.3 | 12.1 | 0 | 0 | 0 | 112.3 | R1913 C2110 K2111 R2112 | R1913-N2114 VanDerWaalsContact CD-O 3.31Å; R1913-N2114 WeakPolarHBondContact CD-O 3.34Å; C2110-N2114 PolarHBondContact O-N 3.15Å; K2111-N2114 PolarHBondContact O-N 2.83Å; R2112-N2114 VanDerWaalsContact C-N 3.33Å |
| 2115 | I | 90.8 | Very high | 78.2 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | trans | -114.8 | 126.3 | 171.8 | -52.5 | 173.9 | 0 | 0 | 0 | 105.9 | I2079 L2083 P2090 L2093 C2110 H2113 | I2079-I2115 HydrophobicContact CG2-CD1 3.74Å; L2083-I2115 HydrophobicContact CD1-CD1 4.28Å; L2083-I2115 HydrophobicContact CD2-CD1 4.23Å; P2090-I2115 HydrophobicContact CG-CD1 4.34Å; L2093-I2115 HydrophobicContact CB-CG2 4.2Å; C2110-I2115 CarbonylContact C-O 3.46Å; C2110-I2115 HydrophobicContact CB-CB 4.08Å; C2110-I2115 WeakPolarHBondContact CB-O 3.34Å; C2110-I2115 PolarHBondContact O-N 2.89Å; H2113-I2115 HydrophobicContact CB-CD1 4.06Å; H2113-I2115 HydrophobicContact CB-CG1 4.13Å | ||
| 2116 | S | 90.9 | Very high | 76.4 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 13% | 0.126 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 149.1 | 175.8 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | L1912 Q2091 N2092 L2093 | L1912-S2116 WeakPolarHBondContact CD2-OG 3.26Å; Q2091-S2116 PolarHBondContact O-N 2.87Å; Q2091-S2116 PolarHBondContact O-OG 2.99Å; Q2091-S2116 VanDerWaalsContact O-OG 3.06Å; N2092-S2116 CarbonylContact C-O 3.48Å; N2092-S2116 WeakPolarHBondContact CA-O 3.01Å; N2092-S2116 WeakPolarHBondContact CB-OG 3.13Å; N2092-S2116 PolarHBondContact ND2-O 3.25Å; N2092-S2116 VanDerWaalsContact ND2-O 3.07Å; N2092-S2116 PolarHBondContact ND2-OG 3.07Å; L2093-S2116 PolarHBondContact N-O 2.73Å |
| 2117 | F | 92.2 | Very high | 74 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.4 | -172.8 | -167 | -90.1 | 0 | 0 | 0 | 110.3 | L2093 V2095 C2097 Q2103 L2106 H2107 C2110 I2145 I2146 | L2093-F2117 HydrophobicContact CD2-CD2 4.23Å; L2093-F2117 HydrophobicContact CD2-CE2 4.04Å; V2095-F2117 HydrophobicContact CG2-CE1 3.86Å; V2095-F2117 HydrophobicContact CG2-CE2 3.72Å; V2095-F2117 HydrophobicContact CG2-CZ 3.29Å; C2097-F2117 HydrophobicContact CB-CE1 3.97Å; C2097-F2117 HydrophobicContact CB-CZ 4.47Å; Q2103-F2117 HydrophobicContact CB-CZ 3.82Å; L2106-F2117 HydrophobicContact CB-CE2 4.24Å; L2106-F2117 HydrophobicContact CD2-CE2 4.35Å; L2106-F2117 HydrophobicContact CG-CE2 4.09Å; H2107-F2117 HydrophobicContact CB-CD1 4.36Å; H2107-F2117 HydrophobicContact CB-CD2 4.19Å; H2107-F2117 HydrophobicContact CB-CE1 4.24Å; H2107-F2117 HydrophobicContact CB-CE2 4.06Å; H2107-F2117 HydrophobicContact CB-CG 4.32Å; H2107-F2117 HydrophobicContact CB-CZ 4.08Å; H2107-F2117 AromaticContact CD2-CD1 3.98Å; H2107-F2117 AromaticContact CD2-CG 3.82Å; C2110-F2117 HydrophobicContact CB-CD2 4Å; F2117-I2145 HydrophobicContact CD1-CB 4.47Å; F2117-I2145 HydrophobicContact CD1-CD1 4.26Å; F2117-I2145 HydrophobicContact CD1-CG1 3.96Å; F2117-I2145 HydrophobicContact CD1-CG2 3.86Å; F2117-I2145 HydrophobicContact CE1-CG2 4.49Å; F2117-I2146 PolarHBondContact O-N 2.75Å |
| 2118 | T | 90.7 | Very high | 71.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 113.3 | -177.8 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | N2092 L2093 Q2094 V2095 Y2120 I2146 I2148 | N2092-T2118 PolarHBondContact ND2-OG1 2.88Å; N2092-T2118 PolarHBondContact OD1-OG1 2.82Å; L2093-T2118 PolarHBondContact O-N 3.13Å; Q2094-T2118 WeakPolarHBondContact CA-O 3.41Å; Q2094-T2118 HydrophobicContact CB-CG2 4.36Å; Q2094-T2118 HydrophobicContact CG-CG2 4Å; V2095-T2118 PolarHBondContact N-O 3.48Å; V2095-T2118 VanDerWaalsContact O-O 3.14Å; T2118-Y2120 PolarHBondContact O-N 3.31Å; T2118-I2146 CarbonylContact C-O 3.56Å; T2118-I2146 WeakPolarHBondContact CA-O 3.47Å; T2118-I2146 HydrophobicContact CG2-CB 4.4Å; T2118-I2146 HydrophobicContact CG2-CG2 4.29Å; T2118-I2148 HydrophobicContact CG2-CD1 3.27Å; T2118-I2148 HydrophobicContact CG2-CG1 3.75Å |
| 2119 | A | 81.4 | Confident | 68.9 | Low | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 102.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V2095 C2097 P2122 L2140 I2145 I2146 I2148 | V2095-A2119 WeakPolarHBondContact O-CA 3.26Å; C2097-A2119 HydrophobicContact CB-CB 3.7Å; A2119-P2122 HydrophobicContact CB-CB 4.25Å; A2119-L2140 HydrophobicContact CB-CD1 4.07Å; A2119-I2145 HydrophobicContact CB-CG2 3.6Å; A2119-I2146 PolarHBondContact N-O 3.02Å; A2119-I2148 PolarHBondContact O-N 2.94Å |
| 2120 | Y | 75.5 | Confident | 65.9 | Low | 48 Ų | 48 | 45.9 Ų | 45.9 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 153.6 | 163.4 | 80.4 | -108 | 0 | 0 | 0 | 110.7 | N2073 Q2094 V2095 E2096 C2097 T2118 P2122 | N2073-Y2120 WeakPolarHBondContact OD1-CE1 3.41Å; N2073-Y2120 PolarHBondContact OD1-OH 2.84Å; Q2094-Y2120 HydrophobicContact CG-CD1 3.79Å; V2095-Y2120 WeakPolarHBondContact O-CD1 3.48Å; V2095-Y2120 PolarHBondContact O-N 2.75Å; E2096-Y2120 WeakPolarHBondContact CA-O 3.34Å; E2096-Y2120 HydrophobicContact CB-CD2 4.29Å; E2096-Y2120 HydrophobicContact CB-CE1 4.29Å; E2096-Y2120 HydrophobicContact CB-CE2 3.63Å; E2096-Y2120 HydrophobicContact CG-CD2 4.49Å; E2096-Y2120 HydrophobicContact CG-CE2 3.99Å; C2097-Y2120 PolarHBondContact N-O 3.45Å; T2118-Y2120 PolarHBondContact O-N 3.31Å; Y2120-P2122 VanDerWaalsContact C-CD 3.47Å; Y2120-P2122 VanDerWaalsContact C-N 3.3Å |
| 2121 | A | 65.4 | Low | 63.3 | Low | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 45.6 | 49.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2096 L2123 G2124 K2150 | E2096-A2121 HydrophobicContact CG-CB 4.42Å; A2121-L2123 PolarHBondContact O-N 3.21Å; A2121-G2124 WeakPolarHBondContact O-CA 3.3Å; A2121-G2124 PolarHBondContact O-N 2.83Å; A2121-K2150 HydrophobicContact CB-CD 4.47Å |
| 2122 | P | 57.5 | Low | 61 | Low | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.4 | -172.5 | 28.2 | -36.8 | 0 | 0 | 0 | 114 | C2097 H2098 A2119 Y2120 L2136 L2137 L2140 V2147 I2148 | C2097-P2122 WeakPolarHBondContact O-CA 3.29Å; H2098-P2122 VanDerWaalsContact CB-O 3.23Å; H2098-P2122 WeakPolarHBondContact CB-O 3.47Å; A2119-P2122 HydrophobicContact CB-CB 4.25Å; Y2120-P2122 VanDerWaalsContact C-CD 3.47Å; Y2120-P2122 VanDerWaalsContact C-N 3.3Å; P2122-L2136 WeakPolarHBondContact O-CD2 3.19Å; P2122-L2136 WeakPolarHBondContact O-CG 3.48Å; P2122-L2137 HydrophobicContact CB-CD2 3.99Å; P2122-L2137 HydrophobicContact CG-CD2 3.56Å; P2122-L2140 HydrophobicContact CB-CD1 3.48Å; P2122-L2140 VanDerWaalsContact CB-CD1 3.48Å; P2122-V2147 HydrophobicContact CB-CB 4.36Å; P2122-V2147 HydrophobicContact CB-CG1 4.29Å; P2122-V2147 HydrophobicContact CG-CB 4.16Å; P2122-I2148 WeakPolarHBondContact CD-O 3.34Å |
| 2123 | L | 54.6 | Low | 58.7 | Low | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 0.4 | -179.9 | -52.8 | -175.8 | 0 | 0 | 0 | 112.7 | A2121 T2133 L2137 | A2121-L2123 PolarHBondContact O-N 3.21Å; L2123-T2133 HydrophobicContact CB-CG2 4.06Å; L2123-T2133 HydrophobicContact CD1-CG2 3.78Å; L2123-T2133 VanDerWaalsContact CD2-CB 3.5Å; L2123-T2133 HydrophobicContact CD2-CG2 3.86Å; L2123-T2133 WeakPolarHBondContact CD2-O 3.42Å; L2123-T2133 HydrophobicContact CG-CG2 4.09Å; L2123-L2137 HydrophobicContact CD2-CD1 3.96Å; L2123-L2137 HydrophobicContact CD2-CD2 3.92Å; L2123-L2137 HydrophobicContact CD2-CG 3.64Å |
| 2124 | G | 48.6 | Very low | 56.6 | Low | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | trans | 70.5 | 171.4 | -150.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H2098 A2121 | H2098-G2124 VanDerWaalsContact CD2-CA 3.46Å; H2098-G2124 WeakPolarHBondContact CD2-CA 3.38Å; A2121-G2124 WeakPolarHBondContact O-CA 3.3Å; A2121-G2124 PolarHBondContact O-N 2.83Å | ||
| 2125 | S | 44.8 | Very low | 54.4 | Low | 51 Ų | 51 | 30.8 Ų | 30.8 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -75.1 | 129 | 167.4 | -75.8 | 0 | 0 | 0 | 0 | 110.3 | G2127 K2150 | S2125-G2127 PolarHBondContact O-N 3.47Å; S2125-K2150 PolarHBondContact OG-NZ 2.75Å |
| 2126 | P | 37.3 | Very low | 52.5 | Low | 90 Ų | 90 | 31.1 Ų | 31.1 | 58% | 0.584 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 133.4 | -175.5 | 26.3 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 2127 | G | 31.1 | Very low | 50.8 | Low | 52 Ų | 52 | 30.7 Ų | 30.7 | 54% | 0.536 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 138.3 | -12.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S2125 | S2125-G2127 PolarHBondContact O-N 3.47Š|
| 2128 | R | 27.1 | Very low | 48.9 | Very low | 76 Ų | 76 | 32.4 Ų | 32.4 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -125.5 | -29 | 174.2 | -71.1 | 173.6 | -170.3 | -106 | -6.6 | 114.7 | I1850 P1852 L2344 | I1850-R2128 PolarHBondContact O-NH2 2.87Å; P1852-R2128 HydrophobicContact CB-CG 3.75Å; P1852-R2128 HydrophobicContact CG-CG 4.24Å; R2128-L2344 HydrophobicContact CB-CD1 4.2Å; R2128-L2344 HydrophobicContact CG-CD1 4.3Å |
| 2129 | Y | 33.6 | Very low | 47.3 | Very low | 53 Ų | 53 | 35.9 Ų | 35.9 | 21% | 0.208 | 20% | 0.199 | C | C | . | . | trans | -136.4 | 50.6 | -166.2 | -51.2 | -64.1 | 0 | 0 | 0 | 112.3 | Y2100 R2131 L2344 | Y2100-Y2129 HydrophobicContact CD1-CE1 4.31Å; Y2100-Y2129 HydrophobicContact CD2-CD1 4.33Å; Y2100-Y2129 AromaticContact CD2-CD2 3.67Å; Y2100-Y2129 HydrophobicContact CD2-CD2 3.67Å; Y2100-Y2129 HydrophobicContact CD2-CE1 4.27Å; Y2100-Y2129 AromaticContact CD2-CE2 3.61Å; Y2100-Y2129 HydrophobicContact CD2-CE2 3.61Å; Y2100-Y2129 HydrophobicContact CD2-CG 4.02Å; Y2100-Y2129 AromaticContact CD2-CZ 3.89Å; Y2100-Y2129 HydrophobicContact CE1-CD1 4.16Å; Y2100-Y2129 AromaticContact CE1-CE1 3.76Å; Y2100-Y2129 HydrophobicContact CE1-CE1 3.76Å; Y2100-Y2129 AromaticContact CE2-CD1 3.47Å; Y2100-Y2129 HydrophobicContact CE2-CD1 3.47Å; Y2100-Y2129 VanDerWaalsContact CE2-CD1 3.47Å; Y2100-Y2129 AromaticContact CE2-CD2 3.46Å; Y2100-Y2129 HydrophobicContact CE2-CD2 3.46Å; Y2100-Y2129 VanDerWaalsContact CE2-CD2 3.46Å; Y2100-Y2129 AromaticContact CE2-CE1 3.74Å; Y2100-Y2129 HydrophobicContact CE2-CE1 3.74Å; Y2100-Y2129 AromaticContact CE2-CE2 3.74Å; Y2100-Y2129 HydrophobicContact CE2-CE2 3.74Å; Y2100-Y2129 AromaticContact CE2-CG 3.3Å; Y2100-Y2129 HydrophobicContact CE2-CG 3.3Å; Y2100-Y2129 AromaticContact CE2-CZ 3.84Å; Y2100-Y2129 HydrophobicContact CG-CE2 4.1Å; Y2100-Y2129 AromaticContact CZ-CD1 3.36Å; Y2100-Y2129 AromaticContact CZ-CE1 3.45Å; Y2100-Y2129 VanDerWaalsContact CZ-CE1 3.45Å; Y2100-Y2129 AromaticContact CZ-CG 3.74Å; Y2100-Y2129 AromaticContact CZ-CZ 3.92Å; Y2100-Y2129 VanDerWaalsContact OH-CD1 3.25Å; Y2100-Y2129 WeakPolarHBondContact OH-CD1 3.43Å; Y2129-R2131 PolarHBondContact O-N 3.29Å; Y2129-L2344 HydrophobicContact CE1-CD1 3.64Å; Y2129-L2344 VanDerWaalsContact OH-CD1 3.31Å; Y2129-L2344 WeakPolarHBondContact OH-CD1 3.48Å; Y2129-L2344 WeakPolarHBondContact OH-CD2 3.26Å | ||
| 2130 | G | 28.3 | Very low | 46.5 | Very low | 35 Ų | 35 | 35.9 Ų | 35.9 | 36% | 0.361 | 20% | 0.199 | S | C | . | . | trans | -64.5 | 122 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 2131 | R | 31.7 | Very low | 46.2 | Very low | 75 Ų | 75 | 35.8 Ų | 35.8 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 110 | 54.9 | 174.3 | -56.2 | 169.3 | -176.6 | -105.8 | -4.9 | 117.2 | N1856 P1857 S1858 H1859 I1860 Y2129 | N1856-R2131 VanDerWaalsContact CG-NH2 3.26Å; N1856-R2131 PolarHBondContact O-NE 3.08Å; N1856-R2131 PolarHBondContact O-NH2 2.83Å; N1856-R2131 PolarHBondContact OD1-NH2 3.48Å; P1857-R2131 WeakPolarHBondContact O-CG 3.5Å; S1858-R2131 VanDerWaalsContact N-CZ 3.3Å; S1858-R2131 PolarHBondContact OG-NH1 3.25Å; S1858-R2131 PolarHBondContact OG-NH2 3.48Å; H1859-R2131 HydrophobicContact CB-CB 3.98Å; H1859-R2131 HydrophobicContact CB-CG 3.78Å; H1859-R2131 PolarHBondContact CD2-NH1 3.31Å; H1859-R2131 PolarHBondContact ND1-NH1 3.12Å; H1859-R2131 PolarHBondContact NE2-NH1 3.5Å; H1859-R2131 CarbonylContact O-C 3.37Å; H1859-R2131 WeakPolarHBondContact O-CA 3.31Å; H1859-R2131 VanDerWaalsContact O-CB 3.22Å; H1859-R2131 WeakPolarHBondContact O-CB 3.44Å; I1860-R2131 HydrophobicContact CG1-CB 4.48Å; I1860-R2131 HydrophobicContact CG1-CG 4.42Å; Y2129-R2131 PolarHBondContact O-N 3.29Å |
| 2132 | P | 34.8 | Very low | 46.1 | Very low | 37 Ų | 37 | 41.7 Ų | 41.7 | 24% | 0.24 | 23% | 0.229 | C | C | . | . | -157 | 112.8 | 70.7 | 36.4 | -12.5 | 0 | 0 | 0 | 117.3 | I2135 | P2132-I2135 HydrophobicContact CB-CD1 3.88Å; P2132-I2135 HydrophobicContact CG-CD1 4.46Å | |||
| 2133 | T | 41.5 | Very low | 46.7 | Very low | 18 Ų | 18 | 46.3 Ų | 46.3 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.4 | -38.3 | -176.1 | 58.6 | 0 | 0 | 0 | 0 | 116.3 | I1860 L2123 L2136 L2137 | I1860-T2133 HydrophobicContact CD1-CG2 4.09Å; I1860-T2133 WeakPolarHBondContact CG2-OG1 3.13Å; L2123-T2133 HydrophobicContact CB-CG2 4.06Å; L2123-T2133 HydrophobicContact CD1-CG2 3.78Å; L2123-T2133 VanDerWaalsContact CD2-CB 3.5Å; L2123-T2133 HydrophobicContact CD2-CG2 3.86Å; L2123-T2133 WeakPolarHBondContact CD2-O 3.42Å; L2123-T2133 HydrophobicContact CG-CG2 4.09Å; T2133-L2136 PolarHBondContact O-N 3.28Å; T2133-L2137 PolarHBondContact O-N 2.91Å |
| 2134 | N | 41.8 | Very low | 47.7 | Very low | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.011 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -80.6 | -37.5 | -162.7 | -68.2 | 25.1 | 0 | 0 | 0 | 112.8 | L2136 L2137 K2138 L2163 | N2134-L2136 PolarHBondContact O-N 3.01Å; N2134-L2137 PolarHBondContact O-N 3.31Å; N2134-K2138 PolarHBondContact O-N 3.31Å; N2134-K2138 VanDerWaalsContact O-N 3.15Å; N2134-L2163 HydrophobicContact CB-CD1 4.32Å; N2134-L2163 HydrophobicContact CB-CD2 4.16Å; N2134-L2163 HydrophobicContact CB-CG 4.33Å |
| 2135 | I | 42.5 | Very low | 49.1 | Very low | 45 Ų | 45 | 50.5 Ų | 50.5 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -45.5 | -50.5 | 166.6 | -61.6 | 169.3 | 0 | 0 | 0 | 110.7 | N1863 F1864 P2132 K2138 W2139 | N1863-I2135 HydrophobicContact CB-CD1 3.56Å; N1863-I2135 HydrophobicContact CB-CG1 3.42Å; N1863-I2135 VanDerWaalsContact CB-CG1 3.42Å; F1864-I2135 HydrophobicContact CD2-CB 4.15Å; F1864-I2135 HydrophobicContact CD2-CG1 3.88Å; F1864-I2135 HydrophobicContact CD2-CG2 3.72Å; F1864-I2135 HydrophobicContact CE2-CB 4.45Å; F1864-I2135 HydrophobicContact CE2-CG1 4.13Å; F1864-I2135 HydrophobicContact CE2-CG2 3.68Å; P2132-I2135 HydrophobicContact CB-CD1 3.88Å; P2132-I2135 HydrophobicContact CG-CD1 4.46Å; I2135-K2138 PolarHBondContact O-N 3.05Å; I2135-W2139 VanDerWaalsContact O-CB 3.25Å; I2135-W2139 WeakPolarHBondContact O-CB 3.32Å; I2135-W2139 PolarHBondContact O-N 2.88Å |
| 2136 | L | 50.3 | Low | 50.9 | Low | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.4 | -41.4 | -167.1 | -177.2 | 56.4 | 0 | 0 | 0 | 111.6 | H2098 L2099 P2122 T2133 N2134 W2139 L2140 | H2098-L2136 HydrophobicContact CB-CD2 4.47Å; L2099-L2136 HydrophobicContact CB-CD1 4Å; L2099-L2136 HydrophobicContact CB-CD2 3.82Å; P2122-L2136 WeakPolarHBondContact O-CD2 3.19Å; P2122-L2136 WeakPolarHBondContact O-CG 3.48Å; T2133-L2136 PolarHBondContact O-N 3.28Å; N2134-L2136 PolarHBondContact O-N 3.01Å; L2136-W2139 HydrophobicContact CD1-CE3 4.04Å; L2136-W2139 HydrophobicContact CD1-CZ3 4.32Å; L2136-W2139 PolarHBondContact O-N 3.15Å; L2136-L2140 VanDerWaalsContact O-CG 3.27Å; L2136-L2140 WeakPolarHBondContact O-CG 3.39Å; L2136-L2140 PolarHBondContact O-N 3.35Å |
| 2137 | L | 55.7 | Low | 52.9 | Low | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 171.1 | -70.4 | 169.8 | 0 | 0 | 0 | 111.1 | P2122 L2123 T2133 N2134 W2139 L2140 L2141 V2147 P2149 N2160 | P2122-L2137 HydrophobicContact CB-CD2 3.99Å; P2122-L2137 HydrophobicContact CG-CD2 3.56Å; L2123-L2137 HydrophobicContact CD2-CD1 3.96Å; L2123-L2137 HydrophobicContact CD2-CD2 3.92Å; L2123-L2137 HydrophobicContact CD2-CG 3.64Å; T2133-L2137 PolarHBondContact O-N 2.91Å; N2134-L2137 PolarHBondContact O-N 3.31Å; L2137-W2139 PolarHBondContact O-N 3.43Å; L2137-L2140 PolarHBondContact O-N 2.81Å; L2137-L2141 WeakPolarHBondContact O-CB 3.35Å; L2137-L2141 WeakPolarHBondContact O-CG 3.25Å; L2137-L2141 PolarHBondContact O-N 3.48Å; L2137-V2147 HydrophobicContact CD2-CB 3.88Å; L2137-V2147 HydrophobicContact CD2-CG1 4.2Å; L2137-V2147 HydrophobicContact CD2-CG2 3.89Å; L2137-P2149 HydrophobicContact CD2-CB 4.3Å; L2137-N2160 WeakPolarHBondContact CD1-OD1 3.32Å |
| 2138 | K | 53.3 | Low | 54.9 | Low | 40 Ų | 40 | 41.5 Ų | 41.5 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | -179.5 | -168.9 | 176.1 | -174 | 170.8 | 0 | 112.6 | F1864 N2134 I2135 L2141 Q2142 | F1864-K2138 HydrophobicContact CB-CD 4.08Å; F1864-K2138 WeakPolarHBondContact O-CD 3.15Å; F1864-K2138 WeakPolarHBondContact O-CE 3.16Å; F1864-K2138 PolarHBondContact O-NZ 3.12Å; N2134-K2138 PolarHBondContact O-N 3.31Å; N2134-K2138 VanDerWaalsContact O-N 3.15Å; I2135-K2138 PolarHBondContact O-N 3.05Å; K2138-L2141 PolarHBondContact O-N 2.79Å; K2138-Q2142 HydrophobicContact CG-CG 4.38Å; K2138-Q2142 WeakPolarHBondContact O-CB 3.05Å; K2138-Q2142 VanDerWaalsContact O-CG 3.29Å; K2138-Q2142 WeakPolarHBondContact O-CG 3.49Å; K2138-Q2142 PolarHBondContact O-N 3.1Å |
| 2139 | W | 57.5 | Low | 56.7 | Low | 73 Ų | 73 | 38.5 Ų | 38.5 | 28% | 0.277 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.9 | -35 | 178.2 | 174.4 | 91.4 | 0 | 0 | 0 | 112.9 | P2102 F2104 I2135 L2136 L2137 R2143 | P2102-W2139 HydrophobicContact CB-CH2 4.38Å; F2104-W2139 AromaticContact CE1-CH2 3.39Å; F2104-W2139 HydrophobicContact CE1-CH2 3.39Å; F2104-W2139 AromaticContact CE1-CZ2 3.53Å; F2104-W2139 HydrophobicContact CE1-CZ2 3.53Å; F2104-W2139 AromaticContact CZ-CH2 3.46Å; F2104-W2139 HydrophobicContact CZ-CH2 3.46Å; F2104-W2139 VanDerWaalsContact CZ-CH2 3.46Å; F2104-W2139 AromaticContact CZ-CZ2 3.57Å; F2104-W2139 HydrophobicContact CZ-CZ2 3.57Å; I2135-W2139 VanDerWaalsContact O-CB 3.25Å; I2135-W2139 WeakPolarHBondContact O-CB 3.32Å; I2135-W2139 PolarHBondContact O-N 2.88Å; L2136-W2139 HydrophobicContact CD1-CE3 4.04Å; L2136-W2139 HydrophobicContact CD1-CZ3 4.32Å; L2136-W2139 PolarHBondContact O-N 3.15Å; L2137-W2139 PolarHBondContact O-N 3.43Å; W2139-R2143 WeakPolarHBondContact O-CG 3.32Å |
| 2140 | L | 64.2 | Low | 57.7 | Low | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -49.2 | 169.6 | -69.3 | 169.7 | 0 | 0 | 0 | 110.8 | A2119 P2122 L2136 L2137 Q2142 R2143 I2145 V2147 | A2119-L2140 HydrophobicContact CB-CD1 4.07Å; P2122-L2140 HydrophobicContact CB-CD1 3.48Å; P2122-L2140 VanDerWaalsContact CB-CD1 3.48Å; L2136-L2140 VanDerWaalsContact O-CG 3.27Å; L2136-L2140 WeakPolarHBondContact O-CG 3.39Å; L2136-L2140 PolarHBondContact O-N 3.35Å; L2137-L2140 PolarHBondContact O-N 2.81Å; L2140-Q2142 PolarHBondContact O-N 3.13Å; L2140-R2143 WeakPolarHBondContact O-CA 3Å; L2140-R2143 WeakPolarHBondContact O-CB 3.5Å; L2140-R2143 PolarHBondContact O-N 3.49Å; L2140-I2145 HydrophobicContact CB-CB 4.12Å; L2140-I2145 HydrophobicContact CB-CG2 4.17Å; L2140-I2145 HydrophobicContact CD2-CB 4.34Å; L2140-I2145 HydrophobicContact CD2-CD1 3.65Å; L2140-I2145 HydrophobicContact CD2-CG2 4.07Å; L2140-I2145 WeakPolarHBondContact O-CB 3.45Å; L2140-I2145 PolarHBondContact O-N 3.35Å; L2140-I2145 VanDerWaalsContact O-N 3.14Å; L2140-V2147 HydrophobicContact CB-CG1 3.49Å; L2140-V2147 VanDerWaalsContact CB-CG1 3.49Å; L2140-V2147 HydrophobicContact CD1-CG1 3.75Å; L2140-V2147 HydrophobicContact CG-CG1 4.26Å |
| 2141 | L | 67.9 | Low | 58.6 | Low | 46 Ų | 46 | 36.5 Ų | 36.5 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -30.9 | 177.9 | -73.3 | 168.9 | 0 | 0 | 0 | 113.5 | M1920 V1921 L2137 K2138 R2143 V2147 | M1920-L2141 HydrophobicContact CB-CD2 3.66Å; M1920-L2141 HydrophobicContact CE-CD2 4.01Å; M1920-L2141 WeakPolarHBondContact O-CD2 3.31Å; V1921-L2141 HydrophobicContact CG2-CD1 4.05Å; V1921-L2141 HydrophobicContact CG2-CD2 4.01Å; L2137-L2141 WeakPolarHBondContact O-CB 3.35Å; L2137-L2141 WeakPolarHBondContact O-CG 3.25Å; L2137-L2141 PolarHBondContact O-N 3.48Å; K2138-L2141 PolarHBondContact O-N 2.79Å; L2141-R2143 VanDerWaalsContact C-N 3.25Å; L2141-R2143 PolarHBondContact O-N 2.82Å; L2141-V2147 HydrophobicContact CD1-CG2 4.22Å; L2141-V2147 HydrophobicContact CD2-CG2 3.85Å; L2141-V2147 HydrophobicContact CG-CG1 4.36Å; L2141-V2147 HydrophobicContact CG-CG2 3.95Å |
| 2142 | Q | 64.8 | Low | 59.3 | Low | 129 Ų | 129 | 36 Ų | 36 | 60% | 0.603 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.6 | 174.1 | -78.7 | 177.4 | -35.6 | 0 | 0 | 114 | K2138 L2140 | K2138-Q2142 HydrophobicContact CG-CG 4.38Å; K2138-Q2142 WeakPolarHBondContact O-CB 3.05Å; K2138-Q2142 VanDerWaalsContact O-CG 3.29Å; K2138-Q2142 WeakPolarHBondContact O-CG 3.49Å; K2138-Q2142 PolarHBondContact O-N 3.1Å; L2140-Q2142 PolarHBondContact O-N 3.13Å |
| 2143 | R | 70.3 | Confident | 59.8 | Low | 96 Ų | 96 | 37.5 Ų | 37.5 | 36% | 0.362 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 16.2 | 177.8 | -70.8 | 174.8 | 164.2 | -88.8 | -3.6 | 112.7 | H2107 W2139 L2140 L2141 I2145 | H2107-R2143 PolarHBondContact NE2-O 2.74Å; W2139-R2143 WeakPolarHBondContact O-CG 3.32Å; L2140-R2143 WeakPolarHBondContact O-CA 3Å; L2140-R2143 WeakPolarHBondContact O-CB 3.5Å; L2140-R2143 PolarHBondContact O-N 3.49Å; L2141-R2143 VanDerWaalsContact C-N 3.25Å; L2141-R2143 PolarHBondContact O-N 2.82Å; R2143-I2145 HydrophobicContact CB-CD1 4.08Å; R2143-I2145 HydrophobicContact CB-CG1 4.21Å; R2143-I2145 PolarHBondContact O-N 2.69Å |
| 2144 | D | 73.8 | Confident | 59.8 | Low | 117 Ų | 117 | 39.5 Ų | 39.5 | 63% | 0.626 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.4 | -171.9 | -53.3 | -52.4 | 0 | 0 | 0 | 113.3 | ||
| 2145 | I | 78.5 | Confident | 59.8 | Low | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 122.1 | 171.5 | -62.9 | 169 | 0 | 0 | 0 | 108.7 | M1920 H2107 F2117 A2119 L2140 R2143 | M1920-I2145 WeakPolarHBondContact CE-O 3.45Å; H2107-I2145 VanDerWaalsContact CD2-CG1 3.45Å; H2107-I2145 WeakPolarHBondContact CD2-CG1 3.47Å; H2107-I2145 WeakPolarHBondContact NE2-CG1 2.95Å; F2117-I2145 HydrophobicContact CD1-CB 4.47Å; F2117-I2145 HydrophobicContact CD1-CD1 4.26Å; F2117-I2145 HydrophobicContact CD1-CG1 3.96Å; F2117-I2145 HydrophobicContact CD1-CG2 3.86Å; F2117-I2145 HydrophobicContact CE1-CG2 4.49Å; A2119-I2145 HydrophobicContact CB-CG2 3.6Å; L2140-I2145 HydrophobicContact CB-CB 4.12Å; L2140-I2145 HydrophobicContact CB-CG2 4.17Å; L2140-I2145 HydrophobicContact CD2-CB 4.34Å; L2140-I2145 HydrophobicContact CD2-CD1 3.65Å; L2140-I2145 HydrophobicContact CD2-CG2 4.07Å; L2140-I2145 WeakPolarHBondContact O-CB 3.45Å; L2140-I2145 PolarHBondContact O-N 3.35Å; L2140-I2145 VanDerWaalsContact O-N 3.14Å; R2143-I2145 HydrophobicContact CB-CD1 4.08Å; R2143-I2145 HydrophobicContact CB-CG1 4.21Å; R2143-I2145 PolarHBondContact O-N 2.69Å |
| 2146 | I | 83.2 | Confident | 59.9 | Low | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.9 | 174.3 | -57.1 | 157.2 | 0 | 0 | 0 | 107.6 | A1910 M1918 M1920 F2117 T2118 A2119 | A1910-I2146 HydrophobicContact CB-CD1 3.8Å; A1910-I2146 HydrophobicContact CB-CG1 3.89Å; M1918-I2146 HydrophobicContact CE-CD1 4.1Å; M1918-I2146 HydrophobicContact CE-CG2 4.34Å; M1918-I2146 HydrophobicContact CG-CD1 4Å; M1918-I2146 HydrophobicContact SD-CD1 3.72Å; M1920-I2146 HydrophobicContact CE-CG1 4.37Å; M1920-I2146 WeakPolarHBondContact O-CA 3.35Å; M1920-I2146 HydrophobicContact SD-CG1 3.83Å; F2117-I2146 PolarHBondContact O-N 2.75Å; T2118-I2146 CarbonylContact C-O 3.56Å; T2118-I2146 WeakPolarHBondContact CA-O 3.47Å; T2118-I2146 HydrophobicContact CG2-CB 4.4Å; T2118-I2146 HydrophobicContact CG2-CG2 4.29Å; A2119-I2146 PolarHBondContact N-O 3.02Å |
| 2147 | V | 79 | Confident | 59.7 | Low | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.3 | -177.3 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | M1920 V1921 G1922 P2122 L2137 L2140 L2141 P2149 | M1920-V2147 PolarHBondContact O-N 3.36Å; V1921-V2147 CarbonylContact C-O 3.51Å; V1921-V2147 WeakPolarHBondContact CA-O 3.44Å; V1921-V2147 HydrophobicContact CB-CG2 4.37Å; V1921-V2147 HydrophobicContact CG1-CG2 4.37Å; V1921-V2147 HydrophobicContact CG2-CG2 3.9Å; G1922-V2147 PolarHBondContact N-O 3.21Å; P2122-V2147 HydrophobicContact CB-CB 4.36Å; P2122-V2147 HydrophobicContact CB-CG1 4.29Å; P2122-V2147 HydrophobicContact CG-CB 4.16Å; L2137-V2147 HydrophobicContact CD2-CB 3.88Å; L2137-V2147 HydrophobicContact CD2-CG1 4.2Å; L2137-V2147 HydrophobicContact CD2-CG2 3.89Å; L2140-V2147 HydrophobicContact CB-CG1 3.49Å; L2140-V2147 VanDerWaalsContact CB-CG1 3.49Å; L2140-V2147 HydrophobicContact CD1-CG1 3.75Å; L2140-V2147 HydrophobicContact CG-CG1 4.26Å; L2141-V2147 HydrophobicContact CD1-CG2 4.22Å; L2141-V2147 HydrophobicContact CD2-CG2 3.85Å; L2141-V2147 HydrophobicContact CG-CG1 4.36Å; L2141-V2147 HydrophobicContact CG-CG2 3.95Å; V2147-P2149 VanDerWaalsContact O-CD 3.24Å; V2147-P2149 WeakPolarHBondContact O-CD 3.42Å |
| 2148 | I | 73.5 | Confident | 59 | Low | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 79.5 | 171.5 | -57.7 | 169.2 | 0 | 0 | 0 | 108.8 | G1922 D1965 Q2094 T2118 A2119 P2122 | G1922-I2148 WeakPolarHBondContact O-CA 3.48Å; D1965-I2148 HydrophobicContact CB-CD1 3.69Å; D1965-I2148 HydrophobicContact CB-CG1 4.39Å; D1965-I2148 HydrophobicContact CB-CG2 3.85Å; Q2094-I2148 VanDerWaalsContact NE2-CD1 3.34Å; T2118-I2148 HydrophobicContact CG2-CD1 3.27Å; T2118-I2148 HydrophobicContact CG2-CG1 3.75Å; A2119-I2148 PolarHBondContact O-N 2.94Å; P2122-I2148 WeakPolarHBondContact CD-O 3.34Å |
| 2149 | P | 63.8 | Low | 58.5 | Low | 13 Ų | 13 | 47.4 Ų | 47.4 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | trans | -56.1 | 152.9 | 169.9 | 23.3 | -34.2 | 0 | 0 | 0 | 112.4 | V1921 G1922 G1924 L2137 V2147 | V1921-P2149 HydrophobicContact CG1-CG 3.98Å; G1922-P2149 VanDerWaalsContact O-CD 3.25Å; G1922-P2149 WeakPolarHBondContact O-CD 3.41Å; G1924-P2149 PolarHBondContact N-O 3.27Å; L2137-P2149 HydrophobicContact CD2-CB 4.3Å; V2147-P2149 VanDerWaalsContact O-CD 3.24Å; V2147-P2149 WeakPolarHBondContact O-CD 3.42Å | ||
| 2150 | K | 55 | Low | 57.8 | Low | 28 Ų | 28 | 45.3 Ų | 45.3 | 12% | 0.122 | 24% | 0.24 | C | C | . | . | trans | -125.3 | 95.4 | -163.9 | -169.1 | -166.6 | -159.2 | -162.5 | 0 | 109.2 | A2121 S2125 | A2121-K2150 HydrophobicContact CB-CD 4.47Å; S2125-K2150 PolarHBondContact OG-NZ 2.75Å | ||
| 2151 | S | 48.1 | Very low | 56.8 | Low | 18 Ų | 18 | 47.2 Ų | 47.2 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | trans | -151.7 | 135.3 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | Y1923 N2153 H2156 | Y1923-S2151 WeakPolarHBondContact CE2-O 3.28Å; Y1923-S2151 PolarHBondContact OH-O 2.77Å; S2151-N2153 PolarHBondContact OG-N 3.14Å; S2151-N2153 PolarHBondContact OG-O 2.98Å; S2151-N2153 VanDerWaalsContact OG-O 3.13Å; S2151-H2156 WeakPolarHBondContact OG-CB 3.36Å | ||
| 2152 | T | 45.5 | Very low | 55.6 | Low | 63 Ų | 63 | 49.2 Ų | 49.2 | 39% | 0.387 | 26% | 0.26 | S | S | . | . | trans | -96.1 | -19.9 | 161.7 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | V1928 P2154 | V1928-T2152 HydrophobicContact CB-CG2 3.96Å; V1928-T2152 HydrophobicContact CG1-CG2 3.56Å; V1928-T2152 HydrophobicContact CG2-CG2 3.52Å; T2152-P2154 WeakPolarHBondContact O-CD 3.35Å | ||
| 2153 | N | 44.8 | Very low | 54.5 | Low | 70 Ų | 70 | 44.6 Ų | 44.6 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | trans | -74.4 | 118.4 | -176.2 | 176.1 | -5.1 | 0 | 0 | 0 | 109.1 | S2151 S2155 H2156 I2157 | S2151-N2153 PolarHBondContact OG-N 3.14Å; S2151-N2153 PolarHBondContact OG-O 2.98Å; S2151-N2153 VanDerWaalsContact OG-O 3.13Å; N2153-S2155 PolarHBondContact O-N 3.06Å; N2153-S2155 WeakPolarHBondContact OD1-CB 3.49Å; N2153-S2155 PolarHBondContact OD1-N 3.3Å; N2153-H2156 HydrophobicContact CB-CB 4.22Å; N2153-H2156 PolarHBondContact O-N 2.79Å; N2153-I2157 WeakPolarHBondContact O-CG1 3.39Å; N2153-I2157 PolarHBondContact O-N 3.12Å | ||
| 2154 | P | 41.5 | Very low | 52.7 | Low | 60 Ų | 60 | 46.2 Ų | 46.2 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -54.9 | -37.9 | 179.1 | -26.5 | 36.1 | 0 | 0 | 0 | 113.2 | T2152 H2156 I2157 L2158 | T2152-P2154 WeakPolarHBondContact O-CD 3.35Å; P2154-H2156 VanDerWaalsContact C-N 3.31Å; P2154-H2156 PolarHBondContact O-N 3.37Å; P2154-I2157 PolarHBondContact O-N 3.33Å; P2154-L2158 VanDerWaalsContact O-CB 3.32Å; P2154-L2158 WeakPolarHBondContact O-CB 2.93Å; P2154-L2158 WeakPolarHBondContact O-CG 3.16Å; P2154-L2158 PolarHBondContact O-N 2.85Å |
| 2155 | S | 41.6 | Very low | 50.5 | Low | 77 Ų | 77 | 47.6 Ų | 47.6 | 54% | 0.538 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 177.9 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | N2153 L2159 | N2153-S2155 PolarHBondContact O-N 3.06Å; N2153-S2155 WeakPolarHBondContact OD1-CB 3.49Å; N2153-S2155 PolarHBondContact OD1-N 3.3Å; S2155-L2159 WeakPolarHBondContact O-CB 3.46Å; S2155-L2159 PolarHBondContact O-N 3.39Å |
| 2156 | H | 44.7 | Very low | 48.1 | Very low | 72 Ų | 72 | 54.4 Ų | 54.4 | 33% | 0.333 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -79.6 | -31.7 | 172.5 | -91.2 | -152.6 | 0 | 0 | 0 | 112.5 | S2151 N2153 P2154 L2158 L2159 N2160 | S2151-H2156 WeakPolarHBondContact OG-CB 3.36Å; N2153-H2156 HydrophobicContact CB-CB 4.22Å; N2153-H2156 PolarHBondContact O-N 2.79Å; P2154-H2156 VanDerWaalsContact C-N 3.31Å; P2154-H2156 PolarHBondContact O-N 3.37Å; H2156-L2158 VanDerWaalsContact C-N 3.31Å; H2156-L2159 PolarHBondContact O-N 3.2Å; H2156-N2160 WeakPolarHBondContact O-CB 3.36Å; H2156-N2160 PolarHBondContact O-N 3.28Å; H2156-N2160 PolarHBondContact O-ND2 2.86Å |
| 2157 | I | 46.6 | Very low | 45.5 | Very low | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.051 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 173.6 | -65 | 165.6 | 0 | 0 | 0 | 108.9 | Y1923 A1956 N2153 P2154 V2161 | Y1923-I2157 HydrophobicContact CE2-CD1 3.77Å; Y1923-I2157 HydrophobicContact CE2-CG1 4.08Å; A1956-I2157 HydrophobicContact CB-CG2 4.15Å; N2153-I2157 WeakPolarHBondContact O-CG1 3.39Å; N2153-I2157 PolarHBondContact O-N 3.12Å; P2154-I2157 PolarHBondContact O-N 3.33Å; I2157-V2161 WeakPolarHBondContact O-CG2 3.25Å |
| 2158 | L | 41.6 | Very low | 43.3 | Very low | 48 Ų | 48 | 70.2 Ų | 70.2 | 25% | 0.251 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -53.2 | 169 | -79.4 | 157.7 | 0 | 0 | 0 | 111.2 | V1959 P2154 H2156 N2160 V2161 Q2162 | V1959-L2158 HydrophobicContact CG1-CD2 4.28Å; P2154-L2158 VanDerWaalsContact O-CB 3.32Å; P2154-L2158 WeakPolarHBondContact O-CB 2.93Å; P2154-L2158 WeakPolarHBondContact O-CG 3.16Å; P2154-L2158 PolarHBondContact O-N 2.85Å; H2156-L2158 VanDerWaalsContact C-N 3.31Å; L2158-N2160 PolarHBondContact O-N 3.47Å; L2158-N2160 VanDerWaalsContact O-N 3.12Å; L2158-V2161 CarbonylContact O-C 3.58Å; L2158-V2161 WeakPolarHBondContact O-CA 3.24Å; L2158-V2161 PolarHBondContact O-N 2.88Å; L2158-Q2162 HydrophobicContact CD2-CG 4.19Å; L2158-Q2162 WeakPolarHBondContact O-CB 3.43Å; L2158-Q2162 PolarHBondContact O-N 2.9Å |
| 2159 | L | 41.7 | Very low | 41 | Very low | 69 Ų | 69 | 73.6 Ų | 73.6 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59 | -27.4 | 179.9 | -128.4 | 71.7 | 0 | 0 | 0 | 115.4 | V1861 S2155 H2156 V2161 | V1861-L2159 HydrophobicContact CG2-CD2 3.65Å; V1861-L2159 HydrophobicContact CG2-CG 4.15Å; S2155-L2159 WeakPolarHBondContact O-CB 3.46Å; S2155-L2159 PolarHBondContact O-N 3.39Å; H2156-L2159 PolarHBondContact O-N 3.2Å; L2159-V2161 VanDerWaalsContact C-N 3.26Å |
| 2160 | N | 43.2 | Very low | 39.2 | Very low | 29 Ų | 29 | 79 Ų | 79 | 16% | 0.155 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.9 | 175.7 | -74.2 | -60.9 | 0 | 0 | 0 | 113 | L2137 H2156 L2158 | L2137-N2160 WeakPolarHBondContact CD1-OD1 3.32Å; H2156-N2160 WeakPolarHBondContact O-CB 3.36Å; H2156-N2160 PolarHBondContact O-N 3.28Å; H2156-N2160 PolarHBondContact O-ND2 2.86Å; L2158-N2160 PolarHBondContact O-N 3.47Å; L2158-N2160 VanDerWaalsContact O-N 3.12Å |
| 2161 | V | 44.4 | Very low | 37.7 | Very low | 40 Ų | 40 | 81.6 Ų | 81.6 | 24% | 0.242 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -42.4 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | I1901 T1905 V1959 I2157 L2158 L2159 L2163 | I1901-V2161 HydrophobicContact CG2-CG1 4.37Å; T1905-V2161 HydrophobicContact CG2-CG1 4.06Å; V1959-V2161 HydrophobicContact CB-CG1 4.16Å; V1959-V2161 HydrophobicContact CG2-CB 4.23Å; V1959-V2161 HydrophobicContact CG2-CG1 3.99Å; V1959-V2161 HydrophobicContact CG2-CG2 3.92Å; I2157-V2161 WeakPolarHBondContact O-CG2 3.25Å; L2158-V2161 CarbonylContact O-C 3.58Å; L2158-V2161 WeakPolarHBondContact O-CA 3.24Å; L2158-V2161 PolarHBondContact O-N 2.88Å; L2159-V2161 VanDerWaalsContact C-N 3.26Å; V2161-L2163 PolarHBondContact O-N 2.84Å |
| 2162 | Q | 42.5 | Very low | 36.8 | Very low | 87 Ų | 87 | 85.6 Ų | 85.6 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | trans | -79.4 | 64.5 | 168.1 | -60.9 | -173.7 | -62.8 | 0 | 0 | 110.4 | L2158 F2164 | L2158-Q2162 HydrophobicContact CD2-CG 4.19Å; L2158-Q2162 WeakPolarHBondContact O-CB 3.43Å; L2158-Q2162 PolarHBondContact O-N 2.9Å; Q2162-F2164 PolarHBondContact O-N 3.12Å | ||
| 2163 | L | 40.8 | Very low | 35.7 | Very low | 33 Ų | 33 | 88.5 Ų | 88.5 | 17% | 0.173 | 47% | 0.47 | C | S | . | . | trans | -82.9 | 43.7 | 176.4 | -138.8 | 175.5 | 0 | 0 | 0 | 111.3 | N2134 V2161 | N2134-L2163 HydrophobicContact CB-CD1 4.32Å; N2134-L2163 HydrophobicContact CB-CD2 4.16Å; N2134-L2163 HydrophobicContact CB-CG 4.33Å; V2161-L2163 PolarHBondContact O-N 2.84Å | ||
| 2164 | F | 32.8 | Very low | 34.9 | Very low | 129 Ų | 129 | 93.5 Ų | 93.5 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -148.4 | 153 | -172.9 | -63.8 | -76.9 | 0 | 0 | 0 | 110.8 | Q1865 Q2162 | Q1865-F2164 HydrophobicContact CG-CE1 3.82Å; Q1865-F2164 HydrophobicContact CG-CZ 4.33Å; Q2162-F2164 PolarHBondContact O-N 3.12Å |
| 2165 | D | 26.7 | Very low | 34.2 | Very low | 146 Ų | 146 | 93.6 Ų | 93.6 | 78% | 0.781 | 49% | 0.494 | S | S | * | . | trans | -72.9 | 152.1 | -151.2 | -54 | -76 | 0 | 0 | 0 | 118.1 | ||||
| 2166 | F | 28.2 | Very low | 33.6 | Very low | 146 Ų | 146 | 95.2 Ų | 95.2 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | trans | -158.3 | 152.6 | 171.9 | -99.7 | -84.4 | 0 | 0 | 0 | 111.5 | W1893 | W1893-F2166 HydrophobicContact CB-CZ 4.26Å; W1893-F2166 AromaticContact CE3-CE2 3.89Å; W1893-F2166 HydrophobicContact CE3-CE2 3.89Å; W1893-F2166 AromaticContact CE3-CZ 3.76Å; W1893-F2166 HydrophobicContact CE3-CZ 3.76Å; W1893-F2166 HydrophobicContact CZ3-CE2 4.27Å | ||
| 2167 | E | 28.8 | Very low | 32.7 | Very low | 190 Ų | 190 | 98 Ų | 98 | 89% | 0.888 | 51% | 0.513 | S | S | * | . | trans | -143.1 | 167.3 | 168 | -139.8 | 170.3 | -149.6 | 0 | 0 | 111.1 | ||||
| 2168 | L | 32.4 | Very low | 32.1 | Very low | 144 Ų | 144 | 105.3 Ų | 105.3 | 75% | 0.754 | 55% | 0.547 | S | S | * | . | trans | -132 | -178.4 | -159.1 | -68.8 | 171.3 | 0 | 0 | 0 | 114.4 | ||||
| 2169 | S | 26 | Very low | 31.9 | Very low | 73 Ų | 73 | 105.5 Ų | 105.5 | 51% | 0.51 | 56% | 0.556 | S | S | . | * | trans | -130.2 | 156 | -168.8 | 72.3 | 0 | 0 | 0 | 0 | 116.6 | A2171 E2172 | S2169-A2171 VanDerWaalsContact C-N 3.32Å; S2169-A2171 PolarHBondContact O-N 2.92Å; S2169-A2171 VanDerWaalsContact O-N 3.13Å; S2169-E2172 PolarHBondContact N-OE2 2.91Å; S2169-E2172 VanDerWaalsContact N-OE2 3.13Å; S2169-E2172 WeakPolarHBondContact O-CB 3.17Å; S2169-E2172 PolarHBondContact O-N 2.74Å; S2169-E2172 VanDerWaalsContact O-N 3.11Å; S2169-E2172 PolarHBondContact OG-OE2 3.3Å; S2169-E2172 VanDerWaalsContact OG-OE2 3.05Å | ||
| 2170 | D | 25.5 | Very low | 31.4 | Very low | 127 Ų | 127 | 108.9 Ų | 108.9 | 68% | 0.679 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -19.3 | -164 | -60.6 | -60.2 | 0 | 0 | 0 | 116.7 | E2172 M2173 | D2170-E2172 PolarHBondContact O-N 3.02Å; D2170-M2173 WeakPolarHBondContact O-CB 3.37Å; D2170-M2173 PolarHBondContact O-N 3.15Å |
| 2171 | A | 25.2 | Very low | 31.3 | Very low | 83 Ų | 83 | 109.4 Ų | 109.4 | 69% | 0.686 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.4 | -34.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2169 M2173 K2174 | S2169-A2171 VanDerWaalsContact C-N 3.32Å; S2169-A2171 PolarHBondContact O-N 2.92Å; S2169-A2171 VanDerWaalsContact O-N 3.13Å; A2171-M2173 VanDerWaalsContact C-N 3.31Å; A2171-K2174 PolarHBondContact O-N 2.83Å |
| 2172 | E | 27.4 | Very low | 31.4 | Very low | 101 Ų | 101 | 111.5 Ų | 111.5 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.9 | -27.4 | 179.2 | -58.4 | 167.1 | 101.6 | 0 | 0 | 111 | S2169 D2170 K2174 A2175 | S2169-E2172 PolarHBondContact N-OE2 2.91Å; S2169-E2172 VanDerWaalsContact N-OE2 3.13Å; S2169-E2172 WeakPolarHBondContact O-CB 3.17Å; S2169-E2172 PolarHBondContact O-N 2.74Å; S2169-E2172 VanDerWaalsContact O-N 3.11Å; S2169-E2172 PolarHBondContact OG-OE2 3.3Å; S2169-E2172 VanDerWaalsContact OG-OE2 3.05Å; D2170-E2172 PolarHBondContact O-N 3.02Å; E2172-K2174 PolarHBondContact O-N 2.74Å; E2172-A2175 PolarHBondContact O-N 2.86Å |
| 2173 | M | 24 | Very low | 31.3 | Very low | 124 Ų | 124 | 110.3 Ų | 110.3 | 61% | 0.611 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.7 | -30.8 | 175.3 | -160.5 | -167.4 | -69.6 | 0 | 0 | 112.1 | D2170 A2171 L2176 | D2170-M2173 WeakPolarHBondContact O-CB 3.37Å; D2170-M2173 PolarHBondContact O-N 3.15Å; A2171-M2173 VanDerWaalsContact C-N 3.31Å; M2173-L2176 WeakPolarHBondContact O-CB 3.04Å; M2173-L2176 PolarHBondContact O-N 2.78Å |
| 2174 | K | 26.3 | Very low | 31.5 | Very low | 176 Ų | 176 | 111.4 Ų | 111.4 | 77% | 0.765 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.4 | -32.7 | -178.4 | -162.2 | 170.9 | -175.8 | 177.7 | 0 | 113.3 | A2171 E2172 L2176 | A2171-K2174 PolarHBondContact O-N 2.83Å; E2172-K2174 PolarHBondContact O-N 2.74Å; K2174-L2176 VanDerWaalsContact C-N 3.29Å; K2174-L2176 PolarHBondContact O-N 3.47Å |
| 2175 | A | 28.6 | Very low | 32.8 | Very low | 61 Ų | 61 | 110.3 Ų | 110.3 | 50% | 0.504 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.5 | -22 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2172 N2177 A2179 | E2172-A2175 PolarHBondContact O-N 2.86Å; A2175-N2177 VanDerWaalsContact C-N 3.28Å; A2175-N2177 PolarHBondContact O-N 2.9Å; A2175-A2179 PolarHBondContact O-N 3.18Å |
| 2176 | L | 27.3 | Very low | 33.8 | Very low | 112 Ų | 112 | 106.3 Ų | 106.3 | 59% | 0.586 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.2 | -26 | -174.5 | -153.4 | 75.9 | 0 | 0 | 0 | 113.6 | M2173 K2174 | M2173-L2176 WeakPolarHBondContact O-CB 3.04Å; M2173-L2176 PolarHBondContact O-N 2.78Å; K2174-L2176 VanDerWaalsContact C-N 3.29Å; K2174-L2176 PolarHBondContact O-N 3.47Å |
| 2177 | N | 26 | Very low | 34.7 | Very low | 130 Ų | 130 | 101.2 Ų | 101.2 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -78.4 | -38.9 | -179 | -79.8 | -30.8 | 0 | 0 | 0 | 113.3 | A2175 A2179 H2180 | A2175-N2177 VanDerWaalsContact C-N 3.28Å; A2175-N2177 PolarHBondContact O-N 2.9Å; N2177-A2179 VanDerWaalsContact C-N 3.28Å; N2177-A2179 PolarHBondContact O-N 3.33Å; N2177-H2180 PolarHBondContact O-N 3.08Å |
| 2178 | E | 34.2 | Very low | 35.9 | Very low | 163 Ų | 163 | 93.2 Ų | 93.2 | 76% | 0.762 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -37.2 | 172.6 | -67.1 | -175.6 | 144.8 | 0 | 0 | 110.7 | H2180 G2181 D2182 | E2178-H2180 PolarHBondContact O-N 2.74Å; E2178-H2180 VanDerWaalsContact O-N 3.08Å; E2178-G2181 PolarHBondContact O-N 2.98Å; E2178-D2182 PolarHBondContact O-N 2.84Å |
| 2179 | A | 37.7 | Very low | 37.4 | Very low | 52 Ų | 52 | 90.2 Ų | 90.2 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -20.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | A2175 N2177 A2183 | A2175-A2179 PolarHBondContact O-N 3.18Å; N2177-A2179 VanDerWaalsContact C-N 3.28Å; N2177-A2179 PolarHBondContact O-N 3.33Å; A2179-A2183 WeakPolarHBondContact O-CA 3.01Å; A2179-A2183 WeakPolarHBondContact O-CB 3.47Å; A2179-A2183 PolarHBondContact O-N 3.24Å |
| 2180 | H | 30.7 | Very low | 38.6 | Very low | 140 Ų | 140 | 92.9 Ų | 92.9 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.1 | -41.2 | 178.4 | -106 | -112 | 0 | 0 | 0 | 113.4 | N2177 E2178 L2184 | N2177-H2180 PolarHBondContact O-N 3.08Å; E2178-H2180 PolarHBondContact O-N 2.74Å; E2178-H2180 VanDerWaalsContact O-N 3.08Å; H2180-L2184 PolarHBondContact O-N 2.96Å |
| 2181 | G | 41 | Very low | 39.5 | Very low | 41 Ų | 41 | 88.2 Ų | 88.2 | 42% | 0.423 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.3 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E2178 A2183 L2184 R2185 | E2178-G2181 PolarHBondContact O-N 2.98Å; G2181-A2183 VanDerWaalsContact C-N 3.35Å; G2181-A2183 PolarHBondContact O-N 2.99Å; G2181-L2184 PolarHBondContact O-N 3.45Å; G2181-L2184 VanDerWaalsContact O-N 3.13Å; G2181-R2185 PolarHBondContact O-N 3.16Å; G2181-R2185 VanDerWaalsContact O-N 3.1Å |
| 2182 | D | 48.1 | Very low | 40.9 | Very low | 83 Ų | 83 | 84.3 Ų | 84.3 | 44% | 0.444 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -76.3 | -19.5 | 178.5 | -79.6 | -10.8 | 0 | 0 | 0 | 113.4 | E2178 L2184 R2185 T2186 | E2178-D2182 PolarHBondContact O-N 2.84Å; D2182-L2184 VanDerWaalsContact C-N 3.3Å; D2182-R2185 IonicContact OD1-CZ 3.72Å; D2182-R2185 IonicContact OD1-NH1 3.76Å; D2182-R2185 PolarHBondContact OD1-NH1 2.82Å; D2182-T2186 WeakPolarHBondContact O-CA 3.44Å; D2182-T2186 WeakPolarHBondContact O-CB 3.4Å; D2182-T2186 PolarHBondContact O-N 2.99Å; D2182-T2186 PolarHBondContact O-OG1 3.43Å |
| 2183 | A | 38.9 | Very low | 42.4 | Very low | 62 Ų | 62 | 82.7 Ų | 82.7 | 51% | 0.512 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112 | A2179 G2181 G2187 | A2179-A2183 WeakPolarHBondContact O-CA 3.01Å; A2179-A2183 WeakPolarHBondContact O-CB 3.47Å; A2179-A2183 PolarHBondContact O-N 3.24Å; G2181-A2183 VanDerWaalsContact C-N 3.35Å; G2181-A2183 PolarHBondContact O-N 2.99Å; A2183-G2187 VanDerWaalsContact O-CA 3.27Å; A2183-G2187 WeakPolarHBondContact O-CA 3.49Å; A2183-G2187 PolarHBondContact O-N 2.77Å |
| 2184 | L | 46.6 | Very low | 43.3 | Very low | 57 Ų | 57 | 79 Ų | 79 | 30% | 0.298 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -74.2 | -48.2 | 173.8 | -174.3 | 62.8 | 0 | 0 | 0 | 111.5 | H2180 G2181 D2182 T2186 G2187 L2188 N2207 V2210 | H2180-L2184 PolarHBondContact O-N 2.96Å; G2181-L2184 PolarHBondContact O-N 3.45Å; G2181-L2184 VanDerWaalsContact O-N 3.13Å; D2182-L2184 VanDerWaalsContact C-N 3.3Å; L2184-T2186 PolarHBondContact O-N 3.47Å; L2184-G2187 PolarHBondContact O-N 3.44Å; L2184-L2188 VanDerWaalsContact O-CB 3.31Å; L2184-L2188 WeakPolarHBondContact O-CB 3.18Å; L2184-L2188 PolarHBondContact O-N 2.87Å; L2184-N2207 HydrophobicContact CD2-CB 3.88Å; L2184-N2207 WeakPolarHBondContact CD2-OD1 3.21Å; L2184-V2210 HydrophobicContact CD2-CG1 4.46Å |
| 2185 | R | 58.4 | Low | 44.4 | Very low | 105 Ų | 105 | 71.2 Ų | 71.2 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.3 | -52 | 174.3 | -75.3 | -167.6 | -174.7 | 99.2 | 2.1 | 111.6 | G2181 D2182 R2189 V2210 E2213 V2214 | G2181-R2185 PolarHBondContact O-N 3.16Å; G2181-R2185 VanDerWaalsContact O-N 3.1Å; D2182-R2185 IonicContact OD1-CZ 3.72Å; D2182-R2185 IonicContact OD1-NH1 3.76Å; D2182-R2185 PolarHBondContact OD1-NH1 2.82Å; R2185-R2189 WeakPolarHBondContact O-CB 3.49Å; R2185-R2189 PolarHBondContact O-N 2.67Å; R2185-V2210 HydrophobicContact CG-CG1 3.74Å; R2185-E2213 IonicContact CZ-OE2 3.82Å; R2185-E2213 IonicContact NE-OE2 2.72Å; R2185-E2213 PolarHBondContact NE-OE2 3.38Å; R2185-E2213 VanDerWaalsContact NE-OE2 3.12Å; R2185-E2213 IonicContact NH2-OE2 3.54Å; R2185-V2214 HydrophobicContact CB-CG2 4.4Å; R2185-V2214 HydrophobicContact CG-CG2 4.36Å |
| 2186 | T | 49.7 | Very low | 45.1 | Very low | 63 Ų | 63 | 70.8 Ų | 70.8 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | -179.3 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | D2182 L2184 K2190 | D2182-T2186 WeakPolarHBondContact O-CA 3.44Å; D2182-T2186 WeakPolarHBondContact O-CB 3.4Å; D2182-T2186 PolarHBondContact O-N 2.99Å; D2182-T2186 PolarHBondContact O-OG1 3.43Å; L2184-T2186 PolarHBondContact O-N 3.47Å; T2186-K2190 HydrophobicContact CG2-CD 3.86Å; T2186-K2190 VanDerWaalsContact CG2-CE 3.49Å; T2186-K2190 HydrophobicContact CG2-CG 4.39Å; T2186-K2190 WeakPolarHBondContact O-CB 3.27Å; T2186-K2190 WeakPolarHBondContact O-CG 3.15Å; T2186-K2190 PolarHBondContact O-N 2.86Å |
| 2187 | G | 46.1 | Very low | 46.5 | Very low | 39 Ų | 39 | 67.5 Ų | 67.5 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.7 | -47.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2183 L2184 A2191 | A2183-G2187 VanDerWaalsContact O-CA 3.27Å; A2183-G2187 WeakPolarHBondContact O-CA 3.49Å; A2183-G2187 PolarHBondContact O-N 2.77Å; L2184-G2187 PolarHBondContact O-N 3.44Å; G2187-A2191 WeakPolarHBondContact O-CB 2.99Å; G2187-A2191 PolarHBondContact O-N 3.04Å |
| 2188 | L | 54 | Low | 48 | Very low | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72 | -39.8 | 177.9 | -170.9 | 76.6 | 0 | 0 | 0 | 112.1 | L2184 A2191 L2192 I2211 V2214 | L2184-L2188 VanDerWaalsContact O-CB 3.31Å; L2184-L2188 WeakPolarHBondContact O-CB 3.18Å; L2184-L2188 PolarHBondContact O-N 2.87Å; L2188-A2191 WeakPolarHBondContact O-CB 3.45Å; L2188-A2191 PolarHBondContact O-N 3Å; L2188-L2192 HydrophobicContact CG-CD1 4.35Å; L2188-L2192 PolarHBondContact O-N 3.02Å; L2188-I2211 HydrophobicContact CD2-CB 3.91Å; L2188-I2211 HydrophobicContact CD2-CG1 3.56Å; L2188-I2211 HydrophobicContact CD2-CG2 4.15Å; L2188-V2214 HydrophobicContact CD2-CB 4.11Å; L2188-V2214 HydrophobicContact CD2-CG1 4.19Å; L2188-V2214 HydrophobicContact CG-CG1 4.37Å |
| 2189 | R | 63.3 | Low | 49.2 | Very low | 80 Ų | 80 | 59.9 Ų | 59.9 | 30% | 0.302 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 172.7 | 174.6 | 155.7 | -75.9 | -154 | -1.8 | 110.4 | R2185 A2191 L2192 D2193 V2214 | R2185-R2189 WeakPolarHBondContact O-CB 3.49Å; R2185-R2189 PolarHBondContact O-N 2.67Å; R2189-A2191 VanDerWaalsContact C-N 3.31Å; R2189-A2191 PolarHBondContact O-N 3.06Å; R2189-L2192 CarbonylContact O-C 3.54Å; R2189-L2192 PolarHBondContact O-N 2.7Å; R2189-D2193 WeakPolarHBondContact CG-OD2 3.41Å; R2189-D2193 WeakPolarHBondContact O-CB 3.16Å; R2189-D2193 VanDerWaalsContact O-CG 3.27Å; R2189-D2193 PolarHBondContact O-N 3.11Å; R2189-V2214 HydrophobicContact CB-CG1 3.8Å |
| 2190 | K | 52 | Low | 50.1 | Low | 130 Ų | 130 | 60.6 Ų | 60.6 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.3 | -39.7 | 173.5 | -76.1 | 173.9 | -178.3 | 169.9 | 0 | 112.1 | T2186 L2192 D2193 V2194 | T2186-K2190 HydrophobicContact CG2-CD 3.86Å; T2186-K2190 VanDerWaalsContact CG2-CE 3.49Å; T2186-K2190 HydrophobicContact CG2-CG 4.39Å; T2186-K2190 WeakPolarHBondContact O-CB 3.27Å; T2186-K2190 WeakPolarHBondContact O-CG 3.15Å; T2186-K2190 PolarHBondContact O-N 2.86Å; K2190-L2192 VanDerWaalsContact C-N 3.34Å; K2190-L2192 PolarHBondContact O-N 2.67Å; K2190-D2193 PolarHBondContact O-N 2.71Å; K2190-V2194 WeakPolarHBondContact O-CG1 3.31Å; K2190-V2194 VanDerWaalsContact O-CG2 3.31Å; K2190-V2194 WeakPolarHBondContact O-CG2 3.35Å; K2190-V2194 PolarHBondContact O-N 3.22Å |
| 2191 | A | 45 | Very low | 51.2 | Low | 29 Ų | 29 | 54.7 Ų | 54.7 | 24% | 0.24 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G2187 L2188 R2189 G2195 C2196 | G2187-A2191 WeakPolarHBondContact O-CB 2.99Å; G2187-A2191 PolarHBondContact O-N 3.04Å; L2188-A2191 WeakPolarHBondContact O-CB 3.45Å; L2188-A2191 PolarHBondContact O-N 3Å; R2189-A2191 VanDerWaalsContact C-N 3.31Å; R2189-A2191 PolarHBondContact O-N 3.06Å; A2191-G2195 PolarHBondContact O-N 3.13Å; A2191-C2196 HydrophobicContact CB-CB 3.86Å; A2191-C2196 WeakPolarHBondContact O-CA 3.11Å; A2191-C2196 WeakPolarHBondContact O-CB 3.18Å; A2191-C2196 PolarHBondContact O-N 3.3Å |
| 2192 | L | 53 | Low | 51.5 | Low | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 174.6 | -78.7 | 158.7 | 0 | 0 | 0 | 112.4 | L2188 R2189 K2190 R2197 I2199 V2214 L2215 W2218 V2229 | L2188-L2192 HydrophobicContact CG-CD1 4.35Å; L2188-L2192 PolarHBondContact O-N 3.02Å; R2189-L2192 CarbonylContact O-C 3.54Å; R2189-L2192 PolarHBondContact O-N 2.7Å; K2190-L2192 VanDerWaalsContact C-N 3.34Å; K2190-L2192 PolarHBondContact O-N 2.67Å; L2192-R2197 VanDerWaalsContact O-CZ 3.24Å; L2192-R2197 PolarHBondContact O-NH1 3.05Å; L2192-R2197 PolarHBondContact O-NH2 3.13Å; L2192-I2199 HydrophobicContact CD2-CD1 4.1Å; L2192-I2199 HydrophobicContact CG-CD1 4.45Å; L2192-V2214 HydrophobicContact CD1-CG1 3.85Å; L2192-L2215 HydrophobicContact CD1-CD2 3.6Å; L2192-L2215 HydrophobicContact CD1-CG 3.98Å; L2192-L2215 HydrophobicContact CD2-CD2 3.57Å; L2192-L2215 HydrophobicContact CG-CD2 4.23Å; L2192-W2218 HydrophobicContact CB-CD2 4.16Å; L2192-W2218 HydrophobicContact CB-CG 4.38Å; L2192-W2218 HydrophobicContact CB-CZ2 4.49Å; L2192-W2218 HydrophobicContact CD2-CD2 4.46Å; L2192-W2218 HydrophobicContact CD2-CE3 4.15Å; L2192-W2218 HydrophobicContact CD2-CZ3 4.22Å; L2192-W2218 WeakPolarHBondContact O-CZ2 3.31Å; L2192-V2229 HydrophobicContact CD2-CG2 4.27Å |
| 2193 | D | 59.7 | Low | 51.3 | Low | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 179.2 | -70.1 | -34.4 | 0 | 0 | 0 | 113.1 | L1941 R2189 K2190 W2218 | L1941-D2193 WeakPolarHBondContact CD1-O 3.44Å; R2189-D2193 WeakPolarHBondContact CG-OD2 3.41Å; R2189-D2193 WeakPolarHBondContact O-CB 3.16Å; R2189-D2193 VanDerWaalsContact O-CG 3.27Å; R2189-D2193 PolarHBondContact O-N 3.11Å; K2190-D2193 PolarHBondContact O-N 2.71Å; D2193-W2218 VanDerWaalsContact OD1-CD1 3.23Å; D2193-W2218 PolarHBondContact OD1-NE1 3.4Å |
| 2194 | V | 42.8 | Very low | 51.6 | Low | 46 Ų | 46 | 55.1 Ų | 55.1 | 28% | 0.279 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -80.4 | -27.6 | -178.7 | -59.4 | 0 | 0 | 0 | 0 | 114.7 | L1941 K2190 | L1941-V2194 HydrophobicContact CD2-CG1 4.31Å; K2190-V2194 WeakPolarHBondContact O-CG1 3.31Å; K2190-V2194 VanDerWaalsContact O-CG2 3.31Å; K2190-V2194 WeakPolarHBondContact O-CG2 3.35Å; K2190-V2194 PolarHBondContact O-N 3.22Å |
| 2195 | G | 50 | Low | 51.2 | Low | 14 Ų | 14 | 59.6 Ų | 59.6 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 141 | -1.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 117 | D1932 A2191 R2197 | D1932-G2195 WeakPolarHBondContact OD2-CA 3.45Å; A2191-G2195 PolarHBondContact O-N 3.13Å; G2195-R2197 WeakPolarHBondContact O-CG 3.18Å; G2195-R2197 PolarHBondContact O-N 3.25Å |
| 2196 | C | 43.4 | Very low | 50.4 | Low | 51 Ų | 51 | 63.4 Ų | 63.4 | 35% | 0.345 | 33% | 0.325 | S | S | . | . | trans | -66.2 | 103.2 | 176.2 | -164.9 | 0 | 0 | 0 | 0 | 110.1 | A2191 | A2191-C2196 HydrophobicContact CB-CB 3.86Å; A2191-C2196 WeakPolarHBondContact O-CA 3.11Å; A2191-C2196 WeakPolarHBondContact O-CB 3.18Å; A2191-C2196 PolarHBondContact O-N 3.3Å | ||
| 2197 | R | 56.7 | Low | 50.3 | Low | 43 Ų | 43 | 63.2 Ų | 63.2 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | trans | -102.6 | -20.7 | 177.8 | -64 | -60.5 | 157.8 | -97 | 1.2 | 113.4 | L2192 G2195 W2218 D2228 V2229 F2230 | L2192-R2197 VanDerWaalsContact O-CZ 3.24Å; L2192-R2197 PolarHBondContact O-NH1 3.05Å; L2192-R2197 PolarHBondContact O-NH2 3.13Å; G2195-R2197 WeakPolarHBondContact O-CG 3.18Å; G2195-R2197 PolarHBondContact O-N 3.25Å; R2197-W2218 VanDerWaalsContact CZ-CH2 3.46Å; R2197-D2228 VanDerWaalsContact CB-O 3.31Å; R2197-D2228 WeakPolarHBondContact CB-O 3.24Å; R2197-D2228 WeakPolarHBondContact CD-O 3.24Å; R2197-D2228 WeakPolarHBondContact CG-O 3.23Å; R2197-V2229 CarbonylContact O-C 3.6Å; R2197-V2229 WeakPolarHBondContact O-CG1 3.46Å; R2197-F2230 CarbonylContact O-C 3.51Å; R2197-F2230 PolarHBondContact O-N 3.11Å | ||
| 2198 | H | 57.9 | Low | 50.6 | Low | 121 Ų | 121 | 66.1 Ų | 66.1 | 56% | 0.56 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 99.5 | -178.8 | -160.2 | 105.8 | 0 | 0 | 0 | 109.3 | F2230 V2232 | H2198-F2230 WeakPolarHBondContact CA-O 3.47Å; H2198-V2232 WeakPolarHBondContact CE1-CG2 3.5Å; H2198-V2232 VanDerWaalsContact NE2-CG2 3.27Å; H2198-V2232 WeakPolarHBondContact NE2-CG2 3.48Å |
| 2199 | I | 57.7 | Low | 50.8 | Low | 12 Ų | 12 | 71.4 Ų | 71.4 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 109.8 | -177.6 | -56.8 | -179.3 | 0 | 0 | 0 | 108.6 | L2192 T2201 L2215 V2229 F2230 V2231 V2232 | L2192-I2199 HydrophobicContact CD2-CD1 4.1Å; L2192-I2199 HydrophobicContact CG-CD1 4.45Å; I2199-T2201 HydrophobicContact CG2-CG2 3.85Å; I2199-L2215 HydrophobicContact CD1-CD2 4.26Å; I2199-V2229 HydrophobicContact CD1-CG1 4.09Å; I2199-V2229 HydrophobicContact CG1-CG1 4.41Å; I2199-F2230 PolarHBondContact N-O 3.43Å; I2199-F2230 VanDerWaalsContact N-O 3.09Å; I2199-V2231 CarbonylContact O-C 3.53Å; I2199-V2231 WeakPolarHBondContact O-CA 3.04Å; I2199-V2232 PolarHBondContact O-N 2.86Å |
| 2200 | D | 58.1 | Low | 50.6 | Low | 67 Ų | 67 | 69 Ų | 69 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 106.5 | 166.5 | -177.4 | -10.4 | 0 | 0 | 0 | 108.4 | A2202 | D2200-A2202 WeakPolarHBondContact OD1-CB 3.33Å; D2200-A2202 PolarHBondContact OD1-N 2.99Å |
| 2201 | T | 53 | Low | 51.2 | Low | 16 Ų | 16 | 63.2 Ų | 63.2 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | trans | -88.1 | -6.4 | 178.3 | 59.9 | 0 | 0 | 0 | 0 | 113 | I2199 H2203 L2204 V2231 | I2199-T2201 HydrophobicContact CG2-CG2 3.85Å; T2201-H2203 PolarHBondContact O-N 3.4Å; T2201-L2204 PolarHBondContact O-N 2.86Å; T2201-V2231 HydrophobicContact CG2-CG1 3.82Å | ||
| 2202 | A | 47.8 | Very low | 52.4 | Low | 12 Ų | 12 | 63.2 Ų | 63.2 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D2200 Y2205 K2234 | D2200-A2202 WeakPolarHBondContact OD1-CB 3.33Å; D2200-A2202 PolarHBondContact OD1-N 2.99Å; A2202-Y2205 WeakPolarHBondContact O-CE2 3.42Å; A2202-Y2205 VanDerWaalsContact O-CZ 3.3Å; A2202-Y2205 PolarHBondContact O-OH 2.88Å; A2202-K2234 HydrophobicContact CB-CB 3.87Å |
| 2203 | H | 44.3 | Very low | 53.4 | Low | 118 Ų | 118 | 66.8 Ų | 66.8 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 13.8 | 175.6 | -65.5 | -27.6 | 0 | 0 | 0 | 113.7 | T2201 | T2201-H2203 PolarHBondContact O-N 3.4Š|
| 2204 | L | 43.6 | Very low | 54 | Low | 65 Ų | 65 | 63.8 Ų | 63.8 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | trans | -111.3 | 29.2 | 179.1 | -67.7 | 173.9 | 0 | 0 | 0 | 112.9 | T2201 N2207 I2211 | T2201-L2204 PolarHBondContact O-N 2.86Å; L2204-N2207 PolarHBondContact O-N 2.82Å; L2204-I2211 HydrophobicContact CB-CD1 3.81Å; L2204-I2211 HydrophobicContact CD1-CD1 3.89Å; L2204-I2211 HydrophobicContact CG-CD1 4.49Å | ||
| 2205 | Y | 38.2 | Very low | 55.4 | Low | 151 Ų | 151 | 62.5 Ų | 62.5 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | 143.6 | 171.1 | -56.8 | -66 | 0 | 0 | 0 | 111.9 | A2202 N2207 | A2202-Y2205 WeakPolarHBondContact O-CE2 3.42Å; A2202-Y2205 VanDerWaalsContact O-CZ 3.3Å; A2202-Y2205 PolarHBondContact O-OH 2.88Å; Y2205-N2207 PolarHBondContact O-N 3.36Å; Y2205-N2207 VanDerWaalsContact O-N 3.15Å |
| 2206 | Q | 42.6 | Very low | 56.8 | Low | 186 Ų | 186 | 67.6 Ų | 67.6 | 87% | 0.869 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 0.6 | -173.3 | -54.8 | -179.7 | -18 | 0 | 0 | 116.1 | ||
| 2207 | N | 47.9 | Very low | 58.4 | Low | 59 Ų | 59 | 69 Ų | 69 | 32% | 0.316 | 34% | 0.339 | S | S | . | . | trans | -116.5 | 9.9 | 167.2 | -69.6 | -94 | 0 | 0 | 0 | 112.1 | L2184 L2204 Y2205 D2209 V2210 I2211 | L2184-N2207 HydrophobicContact CD2-CB 3.88Å; L2184-N2207 WeakPolarHBondContact CD2-OD1 3.21Å; L2204-N2207 PolarHBondContact O-N 2.82Å; Y2205-N2207 PolarHBondContact O-N 3.36Å; Y2205-N2207 VanDerWaalsContact O-N 3.15Å; N2207-D2209 PolarHBondContact O-N 2.93Å; N2207-V2210 PolarHBondContact O-N 3Å; N2207-V2210 VanDerWaalsContact O-N 3.07Å; N2207-I2211 WeakPolarHBondContact O-CD1 3.39Å; N2207-I2211 VanDerWaalsContact O-CG1 3.27Å; N2207-I2211 WeakPolarHBondContact O-CG1 3.17Å; N2207-I2211 PolarHBondContact O-N 2.94Å | ||
| 2208 | E | 50.8 | Low | 59.1 | Low | 99 Ų | 99 | 67.2 Ų | 67.2 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.6 | -30.6 | 174 | -62 | -172.2 | 156 | 0 | 0 | 111.7 | I2211 G2212 | E2208-I2211 PolarHBondContact O-N 3.18Å; E2208-G2212 WeakPolarHBondContact O-CA 3.38Å; E2208-G2212 PolarHBondContact O-N 3.4Å |
| 2209 | D | 58.9 | Low | 59.9 | Low | 133 Ų | 133 | 63.7 Ų | 63.7 | 71% | 0.711 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.8 | -39.7 | 172 | -57.2 | -49.4 | 0 | 0 | 0 | 112.3 | N2207 G2212 E2213 | N2207-D2209 PolarHBondContact O-N 2.93Å; D2209-G2212 PolarHBondContact O-N 3.01Å; D2209-E2213 WeakPolarHBondContact O-CB 3.26Å; D2209-E2213 PolarHBondContact O-N 3.24Å |
| 2210 | V | 59 | Low | 60.8 | Low | 29 Ų | 29 | 68.6 Ų | 68.6 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | L2184 R2185 N2207 V2214 | L2184-V2210 HydrophobicContact CD2-CG1 4.46Å; R2185-V2210 HydrophobicContact CG-CG1 3.74Å; N2207-V2210 PolarHBondContact O-N 3Å; N2207-V2210 VanDerWaalsContact O-N 3.07Å; V2210-V2214 WeakPolarHBondContact O-CB 3.35Å; V2210-V2214 VanDerWaalsContact O-CG2 3.24Å; V2210-V2214 WeakPolarHBondContact O-CG2 2.96Å; V2210-V2214 PolarHBondContact O-N 2.82Å |
| 2211 | I | 64.5 | Low | 61.5 | Low | 9 Ų | 9 | 69.1 Ų | 69.1 | 5% | 0.046 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 174.5 | -67.5 | 158.9 | 0 | 0 | 0 | 110.4 | L2188 L2204 N2207 E2208 L2215 | L2188-I2211 HydrophobicContact CD2-CB 3.91Å; L2188-I2211 HydrophobicContact CD2-CG1 3.56Å; L2188-I2211 HydrophobicContact CD2-CG2 4.15Å; L2204-I2211 HydrophobicContact CB-CD1 3.81Å; L2204-I2211 HydrophobicContact CD1-CD1 3.89Å; L2204-I2211 HydrophobicContact CG-CD1 4.49Å; N2207-I2211 WeakPolarHBondContact O-CD1 3.39Å; N2207-I2211 VanDerWaalsContact O-CG1 3.27Å; N2207-I2211 WeakPolarHBondContact O-CG1 3.17Å; N2207-I2211 PolarHBondContact O-N 2.94Å; E2208-I2211 PolarHBondContact O-N 3.18Å; I2211-L2215 HydrophobicContact CG2-CD1 3.73Å; I2211-L2215 HydrophobicContact CG2-CG 4.42Å; I2211-L2215 WeakPolarHBondContact O-CB 3.24Å; I2211-L2215 VanDerWaalsContact O-CG 3.25Å; I2211-L2215 WeakPolarHBondContact O-CG 3.19Å; I2211-L2215 PolarHBondContact O-N 2.91Å |
| 2212 | G | 70.3 | Confident | 62.2 | Low | 30 Ų | 30 | 71.3 Ų | 71.3 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E2208 D2209 Q2216 | E2208-G2212 WeakPolarHBondContact O-CA 3.38Å; E2208-G2212 PolarHBondContact O-N 3.4Å; D2209-G2212 PolarHBondContact O-N 3.01Å; G2212-Q2216 WeakPolarHBondContact O-CA 3.07Å; G2212-Q2216 WeakPolarHBondContact O-CB 3.18Å; G2212-Q2216 PolarHBondContact O-N 2.96Å |
| 2213 | E | 74.2 | Confident | 63 | Low | 76 Ų | 76 | 73.4 Ų | 73.4 | 36% | 0.355 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.4 | -55.6 | 173 | 173.6 | 177.3 | -131.7 | 0 | 0 | 110.3 | R2185 D2209 L2215 Q2216 Q2217 | R2185-E2213 IonicContact CZ-OE2 3.82Å; R2185-E2213 IonicContact NE-OE2 2.72Å; R2185-E2213 PolarHBondContact NE-OE2 3.38Å; R2185-E2213 VanDerWaalsContact NE-OE2 3.12Å; R2185-E2213 IonicContact NH2-OE2 3.54Å; D2209-E2213 WeakPolarHBondContact O-CB 3.26Å; D2209-E2213 PolarHBondContact O-N 3.24Å; E2213-L2215 PolarHBondContact O-N 2.78Å; E2213-Q2216 PolarHBondContact O-N 3.35Å; E2213-Q2217 HydrophobicContact CG-CG 4.31Å; E2213-Q2217 VanDerWaalsContact O-CB 3.26Å; E2213-Q2217 WeakPolarHBondContact O-CB 3.41Å; E2213-Q2217 WeakPolarHBondContact O-CG 3.43Å; E2213-Q2217 PolarHBondContact O-N 2.96Å; E2213-Q2217 PolarHBondContact OE1-NE2 2.92Å |
| 2214 | V | 71.9 | Confident | 63.9 | Low | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | -177.7 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | R2185 L2188 R2189 L2192 V2210 W2218 | R2185-V2214 HydrophobicContact CB-CG2 4.4Å; R2185-V2214 HydrophobicContact CG-CG2 4.36Å; L2188-V2214 HydrophobicContact CD2-CB 4.11Å; L2188-V2214 HydrophobicContact CD2-CG1 4.19Å; L2188-V2214 HydrophobicContact CG-CG1 4.37Å; R2189-V2214 HydrophobicContact CB-CG1 3.8Å; L2192-V2214 HydrophobicContact CD1-CG1 3.85Å; V2210-V2214 WeakPolarHBondContact O-CB 3.35Å; V2210-V2214 VanDerWaalsContact O-CG2 3.24Å; V2210-V2214 WeakPolarHBondContact O-CG2 2.96Å; V2210-V2214 PolarHBondContact O-N 2.82Å; V2214-W2218 WeakPolarHBondContact O-CB 3.42Å; V2214-W2218 PolarHBondContact O-N 3.14Å |
| 2215 | L | 73.3 | Confident | 65.1 | Low | 18 Ų | 18 | 71.2 Ų | 71.2 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 175.4 | -81.4 | 169.5 | 0 | 0 | 0 | 112.1 | L2192 I2199 I2211 E2213 W2218 F2219 V2229 | L2192-L2215 HydrophobicContact CD1-CD2 3.6Å; L2192-L2215 HydrophobicContact CD1-CG 3.98Å; L2192-L2215 HydrophobicContact CD2-CD2 3.57Å; L2192-L2215 HydrophobicContact CG-CD2 4.23Å; I2199-L2215 HydrophobicContact CD1-CD2 4.26Å; I2211-L2215 HydrophobicContact CG2-CD1 3.73Å; I2211-L2215 HydrophobicContact CG2-CG 4.42Å; I2211-L2215 WeakPolarHBondContact O-CB 3.24Å; I2211-L2215 VanDerWaalsContact O-CG 3.25Å; I2211-L2215 WeakPolarHBondContact O-CG 3.19Å; I2211-L2215 PolarHBondContact O-N 2.91Å; E2213-L2215 PolarHBondContact O-N 2.78Å; L2215-W2218 WeakPolarHBondContact O-CB 3.49Å; L2215-W2218 PolarHBondContact O-N 3.36Å; L2215-W2218 VanDerWaalsContact O-N 3.16Å; L2215-F2219 HydrophobicContact CB-CD2 4.43Å; L2215-F2219 HydrophobicContact CB-CE2 3.93Å; L2215-F2219 HydrophobicContact CB-CZ 4.45Å; L2215-F2219 HydrophobicContact CD2-CE2 4.15Å; L2215-F2219 HydrophobicContact CD2-CZ 3.82Å; L2215-F2219 WeakPolarHBondContact O-CD2 3.31Å; L2215-F2219 WeakPolarHBondContact O-CG 3.45Å; L2215-F2219 PolarHBondContact O-N 2.96Å; L2215-V2229 HydrophobicContact CD2-CG1 4.27Å; L2215-V2229 HydrophobicContact CD2-CG2 4.45Å |
| 2216 | Q | 78.3 | Confident | 66.4 | Low | 122 Ų | 122 | 73.2 Ų | 73.2 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.5 | -41.7 | -175.7 | -174.9 | 160 | -30 | 0 | 0 | 111.1 | G2212 E2213 W2218 F2219 T2220 | G2212-Q2216 WeakPolarHBondContact O-CA 3.07Å; G2212-Q2216 WeakPolarHBondContact O-CB 3.18Å; G2212-Q2216 PolarHBondContact O-N 2.96Å; E2213-Q2216 PolarHBondContact O-N 3.35Å; Q2216-W2218 VanDerWaalsContact C-N 3.28Å; Q2216-W2218 PolarHBondContact O-N 3.25Å; Q2216-F2219 PolarHBondContact O-N 3.29Å; Q2216-T2220 WeakPolarHBondContact O-CG2 3.47Å; Q2216-T2220 PolarHBondContact O-N 3.47Å; Q2216-T2220 PolarHBondContact O-OG1 2.9Å |
| 2217 | Q | 77.8 | Confident | 67.5 | Low | 81 Ų | 81 | 69.1 Ų | 69.1 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -34.2 | 168.8 | -69.2 | 179 | 13 | 0 | 0 | 112.2 | E2213 T2220 S2221 | E2213-Q2217 HydrophobicContact CG-CG 4.31Å; E2213-Q2217 VanDerWaalsContact O-CB 3.26Å; E2213-Q2217 WeakPolarHBondContact O-CB 3.41Å; E2213-Q2217 WeakPolarHBondContact O-CG 3.43Å; E2213-Q2217 PolarHBondContact O-N 2.96Å; E2213-Q2217 PolarHBondContact OE1-NE2 2.92Å; Q2217-T2220 WeakPolarHBondContact CA-OG1 3.38Å; Q2217-T2220 PolarHBondContact O-OG1 2.79Å; Q2217-S2221 VanDerWaalsContact O-CB 3.23Å; Q2217-S2221 WeakPolarHBondContact O-CB 3.43Å; Q2217-S2221 PolarHBondContact O-N 3.11Å; Q2217-S2221 PolarHBondContact O-OG 2.94Å |
| 2218 | W | 70.5 | Confident | 68.2 | Low | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.015 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.6 | -47.1 | 176.8 | -168.9 | 74.8 | 0 | 0 | 0 | 111.1 | L2192 D2193 R2197 V2214 L2215 Q2216 S2221 G2222 A2223 V2229 | L2192-W2218 HydrophobicContact CB-CD2 4.16Å; L2192-W2218 HydrophobicContact CB-CG 4.38Å; L2192-W2218 HydrophobicContact CB-CZ2 4.49Å; L2192-W2218 HydrophobicContact CD2-CD2 4.46Å; L2192-W2218 HydrophobicContact CD2-CE3 4.15Å; L2192-W2218 HydrophobicContact CD2-CZ3 4.22Å; L2192-W2218 WeakPolarHBondContact O-CZ2 3.31Å; D2193-W2218 VanDerWaalsContact OD1-CD1 3.23Å; D2193-W2218 PolarHBondContact OD1-NE1 3.4Å; R2197-W2218 VanDerWaalsContact CZ-CH2 3.46Å; V2214-W2218 WeakPolarHBondContact O-CB 3.42Å; V2214-W2218 PolarHBondContact O-N 3.14Å; L2215-W2218 WeakPolarHBondContact O-CB 3.49Å; L2215-W2218 PolarHBondContact O-N 3.36Å; L2215-W2218 VanDerWaalsContact O-N 3.16Å; Q2216-W2218 VanDerWaalsContact C-N 3.28Å; Q2216-W2218 PolarHBondContact O-N 3.25Å; W2218-S2221 PolarHBondContact O-N 2.96Å; W2218-S2221 PolarHBondContact O-OG 3.49Å; W2218-G2222 PolarHBondContact O-N 3.48Å; W2218-A2223 HydrophobicContact CD2-CB 4.29Å; W2218-A2223 HydrophobicContact CG-CB 4.16Å; W2218-A2223 HydrophobicContact CZ2-CB 4.47Å; W2218-A2223 PolarHBondContact O-N 3.37Å; W2218-V2229 HydrophobicContact CZ3-CG2 4Å |
| 2219 | F | 74.7 | Confident | 68.5 | Low | 48 Ų | 48 | 65.4 Ų | 65.4 | 21% | 0.211 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 174.1 | -59.9 | -40.8 | 0 | 0 | 0 | 112.5 | L2215 Q2216 G2222 K2225 R2226 V2229 | L2215-F2219 HydrophobicContact CB-CD2 4.43Å; L2215-F2219 HydrophobicContact CB-CE2 3.93Å; L2215-F2219 HydrophobicContact CB-CZ 4.45Å; L2215-F2219 HydrophobicContact CD2-CE2 4.15Å; L2215-F2219 HydrophobicContact CD2-CZ 3.82Å; L2215-F2219 WeakPolarHBondContact O-CD2 3.31Å; L2215-F2219 WeakPolarHBondContact O-CG 3.45Å; L2215-F2219 PolarHBondContact O-N 2.96Å; Q2216-F2219 PolarHBondContact O-N 3.29Å; F2219-G2222 PolarHBondContact O-N 3.18Å; F2219-G2222 VanDerWaalsContact O-N 3.15Å; F2219-K2225 WeakPolarHBondContact CE1-O 3.29Å; F2219-R2226 HydrophobicContact CD1-CG 4.44Å; F2219-R2226 HydrophobicContact CD2-CG 3.79Å; F2219-R2226 HydrophobicContact CE1-CB 4.49Å; F2219-R2226 HydrophobicContact CE1-CG 4.15Å; F2219-R2226 HydrophobicContact CE2-CG 3.44Å; F2219-R2226 VanDerWaalsContact CE2-CG 3.44Å; F2219-R2226 HydrophobicContact CG-CG 4.3Å; F2219-R2226 HydrophobicContact CZ-CB 4.29Å; F2219-R2226 HydrophobicContact CZ-CG 3.64Å; F2219-V2229 HydrophobicContact CE1-CG2 3.95Å; F2219-V2229 HydrophobicContact CZ-CG2 4.01Å |
| 2220 | T | 77.5 | Confident | 68.6 | Low | 114 Ų | 114 | 63.6 Ų | 63.6 | 70% | 0.699 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -75 | -23.9 | 177.7 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | Q2216 Q2217 G2222 | Q2216-T2220 WeakPolarHBondContact O-CG2 3.47Å; Q2216-T2220 PolarHBondContact O-N 3.47Å; Q2216-T2220 PolarHBondContact O-OG1 2.9Å; Q2217-T2220 WeakPolarHBondContact CA-OG1 3.38Å; Q2217-T2220 PolarHBondContact O-OG1 2.79Å; T2220-G2222 PolarHBondContact O-N 3.49Å |
| 2221 | S | 72.3 | Confident | 68.5 | Low | 78 Ų | 78 | 65.1 Ų | 65.1 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.4 | 167.5 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | Q2217 W2218 A2223 | Q2217-S2221 VanDerWaalsContact O-CB 3.23Å; Q2217-S2221 WeakPolarHBondContact O-CB 3.43Å; Q2217-S2221 PolarHBondContact O-N 3.11Å; Q2217-S2221 PolarHBondContact O-OG 2.94Å; W2218-S2221 PolarHBondContact O-N 2.96Å; W2218-S2221 PolarHBondContact O-OG 3.49Å; S2221-A2223 VanDerWaalsContact C-N 3.25Å; S2221-A2223 PolarHBondContact O-N 2.95Å; S2221-A2223 WeakPolarHBondContact OG-CB 3.42Å |
| 2222 | G | 69.1 | Low | 68.1 | Low | 62 Ų | 62 | 67.8 Ų | 67.8 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 7.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | W2218 F2219 T2220 G2224 | W2218-G2222 PolarHBondContact O-N 3.48Å; F2219-G2222 PolarHBondContact O-N 3.18Å; F2219-G2222 VanDerWaalsContact O-N 3.15Å; T2220-G2222 PolarHBondContact O-N 3.49Å; G2222-G2224 PolarHBondContact O-N 3Å |
| 2223 | A | 62.6 | Low | 67.4 | Low | 56 Ų | 56 | 70.8 Ų | 70.8 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -68.7 | -16.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | W2218 S2221 | W2218-A2223 HydrophobicContact CD2-CB 4.29Å; W2218-A2223 HydrophobicContact CG-CB 4.16Å; W2218-A2223 HydrophobicContact CZ2-CB 4.47Å; W2218-A2223 PolarHBondContact O-N 3.37Å; S2221-A2223 VanDerWaalsContact C-N 3.25Å; S2221-A2223 PolarHBondContact O-N 2.95Å; S2221-A2223 WeakPolarHBondContact OG-CB 3.42Å |
| 2224 | G | 63.2 | Low | 66.1 | Low | 17 Ų | 17 | 71.6 Ų | 71.6 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -174.2 | -179.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | G2222 | G2222-G2224 PolarHBondContact O-N 3Š|
| 2225 | K | 70 | Confident | 64.6 | Low | 120 Ų | 120 | 74.7 Ų | 74.7 | 52% | 0.522 | 42% | 0.419 | S | S | . | . | trans | -112.2 | 155.4 | -176.2 | -51.1 | -174.4 | -173.7 | -174.9 | 0 | 112.6 | F2219 E2227 D2228 | F2219-K2225 WeakPolarHBondContact CE1-O 3.29Å; K2225-E2227 HydrophobicContact CB-CG 3.68Å; K2225-E2227 HydrophobicContact CD-CG 3.7Å; K2225-E2227 WeakPolarHBondContact CD-OE1 3.44Å; K2225-E2227 WeakPolarHBondContact CE-OE1 3.19Å; K2225-E2227 HydrophobicContact CG-CG 4.42Å; K2225-E2227 IonicContact NZ-OE1 2.59Å; K2225-E2227 PolarHBondContact NZ-OE1 2.67Å; K2225-E2227 PolarHBondContact O-N 3.02Å; K2225-D2228 WeakPolarHBondContact CB-OD2 3.32Å; K2225-D2228 PolarHBondContact N-OD2 3.34Å; K2225-D2228 WeakPolarHBondContact O-CB 3.45Å; K2225-D2228 PolarHBondContact O-N 3.06Å; K2225-D2228 VanDerWaalsContact O-N 3.1Å | ||
| 2226 | R | 65.2 | Low | 62.7 | Low | 193 Ų | 193 | 80 Ų | 80 | 73% | 0.728 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -53.2 | -36.8 | 169.5 | -91.6 | -175.4 | 169 | 172.1 | -3.1 | 112.8 | F2219 D2228 V2229 | F2219-R2226 HydrophobicContact CD1-CG 4.44Å; F2219-R2226 HydrophobicContact CD2-CG 3.79Å; F2219-R2226 HydrophobicContact CE1-CB 4.49Å; F2219-R2226 HydrophobicContact CE1-CG 4.15Å; F2219-R2226 HydrophobicContact CE2-CG 3.44Å; F2219-R2226 VanDerWaalsContact CE2-CG 3.44Å; F2219-R2226 HydrophobicContact CG-CG 4.3Å; F2219-R2226 HydrophobicContact CZ-CB 4.29Å; F2219-R2226 HydrophobicContact CZ-CG 3.64Å; R2226-D2228 PolarHBondContact O-N 3.33Å; R2226-V2229 PolarHBondContact O-N 3.06Å |
| 2227 | E | 66.5 | Low | 60.3 | Low | 101 Ų | 101 | 76.5 Ų | 76.5 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -70.9 | -10.2 | -178.5 | 52.9 | -178.8 | -175.3 | 0 | 0 | 115 | K2225 R2288 | K2225-E2227 HydrophobicContact CB-CG 3.68Å; K2225-E2227 HydrophobicContact CD-CG 3.7Å; K2225-E2227 WeakPolarHBondContact CD-OE1 3.44Å; K2225-E2227 WeakPolarHBondContact CE-OE1 3.19Å; K2225-E2227 HydrophobicContact CG-CG 4.42Å; K2225-E2227 IonicContact NZ-OE1 2.59Å; K2225-E2227 PolarHBondContact NZ-OE1 2.67Å; K2225-E2227 PolarHBondContact O-N 3.02Å; E2227-R2288 PolarHBondContact O-NH1 3.28Å; E2227-R2288 PolarHBondContact O-NH2 2.65Å |
| 2228 | D | 61.6 | Low | 58 | Low | 61 Ų | 61 | 80.8 Ų | 80.8 | 33% | 0.326 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -89.5 | -22.2 | 174.3 | -56.4 | -50.5 | 0 | 0 | 0 | 112.8 | R2197 K2225 R2226 | R2197-D2228 VanDerWaalsContact CB-O 3.31Å; R2197-D2228 WeakPolarHBondContact CB-O 3.24Å; R2197-D2228 WeakPolarHBondContact CD-O 3.24Å; R2197-D2228 WeakPolarHBondContact CG-O 3.23Å; K2225-D2228 WeakPolarHBondContact CB-OD2 3.32Å; K2225-D2228 PolarHBondContact N-OD2 3.34Å; K2225-D2228 WeakPolarHBondContact O-CB 3.45Å; K2225-D2228 PolarHBondContact O-N 3.06Å; K2225-D2228 VanDerWaalsContact O-N 3.1Å; R2226-D2228 PolarHBondContact O-N 3.33Å |
| 2229 | V | 58.1 | Low | 56.1 | Low | 18 Ų | 18 | 86 Ų | 86 | 11% | 0.109 | 48% | 0.475 | C | S | . | . | trans | -98.3 | 112.7 | -170.5 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | L2192 R2197 I2199 L2215 W2218 F2219 R2226 V2231 | L2192-V2229 HydrophobicContact CD2-CG2 4.27Å; R2197-V2229 CarbonylContact O-C 3.6Å; R2197-V2229 WeakPolarHBondContact O-CG1 3.46Å; I2199-V2229 HydrophobicContact CD1-CG1 4.09Å; I2199-V2229 HydrophobicContact CG1-CG1 4.41Å; L2215-V2229 HydrophobicContact CD2-CG1 4.27Å; L2215-V2229 HydrophobicContact CD2-CG2 4.45Å; W2218-V2229 HydrophobicContact CZ3-CG2 4Å; F2219-V2229 HydrophobicContact CE1-CG2 3.95Å; F2219-V2229 HydrophobicContact CZ-CG2 4.01Å; R2226-V2229 PolarHBondContact O-N 3.06Å; V2229-V2231 HydrophobicContact CG1-CG2 3.83Å; V2229-V2231 PolarHBondContact O-N 3.38Å | ||
| 2230 | F | 59.3 | Low | 54 | Low | 95 Ų | 95 | 87.5 Ų | 87.5 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 84.7 | 172.4 | -74.5 | -97.6 | 0 | 0 | 0 | 109.8 | R2197 H2198 I2199 V2232 | R2197-F2230 CarbonylContact O-C 3.51Å; R2197-F2230 PolarHBondContact O-N 3.11Å; H2198-F2230 WeakPolarHBondContact CA-O 3.47Å; I2199-F2230 PolarHBondContact N-O 3.43Å; I2199-F2230 VanDerWaalsContact N-O 3.09Å; F2230-V2232 PolarHBondContact O-N 3.28Å |
| 2231 | V | 58.8 | Low | 51.7 | Low | 61 Ų | 61 | 85.7 Ų | 85.7 | 37% | 0.37 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 105.2 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | I2199 T2201 V2229 T2233 | I2199-V2231 CarbonylContact O-C 3.53Å; I2199-V2231 WeakPolarHBondContact O-CA 3.04Å; T2201-V2231 HydrophobicContact CG2-CG1 3.82Å; V2229-V2231 HydrophobicContact CG1-CG2 3.83Å; V2229-V2231 PolarHBondContact O-N 3.38Å; V2231-T2233 PolarHBondContact O-N 3.45Å |
| 2232 | V | 55.8 | Low | 49.6 | Very low | 65 Ų | 65 | 86.6 Ų | 86.6 | 39% | 0.394 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 82.2 | 169.6 | 175.5 | 0 | 0 | 0 | 0 | 107.6 | H2198 I2199 F2230 | H2198-V2232 WeakPolarHBondContact CE1-CG2 3.5Å; H2198-V2232 VanDerWaalsContact NE2-CG2 3.27Å; H2198-V2232 WeakPolarHBondContact NE2-CG2 3.48Å; I2199-V2232 PolarHBondContact O-N 2.86Å; F2230-V2232 PolarHBondContact O-N 3.28Å |
| 2233 | T | 55.4 | Low | 47.7 | Very low | 93 Ų | 93 | 89.9 Ų | 89.9 | 57% | 0.571 | 47% | 0.465 | S | S | * | . | trans | -68.2 | 137.4 | 162.7 | 148.2 | 0 | 0 | 0 | 0 | 108.8 | V2231 G2235 | V2231-T2233 PolarHBondContact O-N 3.45Å; T2233-G2235 PolarHBondContact O-N 2.76Å; T2233-G2235 VanDerWaalsContact O-N 3.11Å | ||
| 2234 | K | 46.3 | Very low | 46.2 | Very low | 94 Ų | 94 | 96.8 Ų | 96.8 | 41% | 0.409 | 48% | 0.479 | S | S | . | . | trans | -77 | 98.4 | 172.3 | -162.9 | -178.8 | -172 | -169.1 | 0 | 108.6 | A2202 N2236 | A2202-K2234 HydrophobicContact CB-CB 3.87Å; K2234-N2236 PolarHBondContact O-N 3.02Å | ||
| 2235 | G | 41.5 | Very low | 44.6 | Very low | 67 Ų | 67 | 103.6 Ų | 103.6 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.4 | 122.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T2233 N2237 | T2233-G2235 PolarHBondContact O-N 2.76Å; T2233-G2235 VanDerWaalsContact O-N 3.11Å; G2235-N2237 PolarHBondContact O-N 2.65Å |
| 2236 | N | 31.8 | Very low | 42.5 | Very low | 129 Ų | 129 | 103 Ų | 103 | 69% | 0.69 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.1 | 113.1 | -150.1 | -110 | -18.3 | 0 | 0 | 0 | 115.6 | K2234 Y2238 | K2234-N2236 PolarHBondContact O-N 3.02Å; N2236-Y2238 HydrophobicContact CB-CD2 4.23Å; N2236-Y2238 PolarHBondContact O-N 2.84Å; N2236-Y2238 WeakPolarHBondContact OD1-CD2 3.47Å |
| 2237 | N | 28.9 | Very low | 40.9 | Very low | 50 Ų | 50 | 99.4 Ų | 99.4 | 27% | 0.267 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 13.6 | 176.3 | -148.3 | 60.6 | 0 | 0 | 0 | 113.2 | G2235 L2239 I2240 D2241 | G2235-N2237 PolarHBondContact O-N 2.65Å; N2237-L2239 PolarHBondContact O-N 3.38Å; N2237-L2239 VanDerWaalsContact O-N 3.08Å; N2237-I2240 PolarHBondContact O-N 3.47Å; N2237-D2241 PolarHBondContact O-N 3Å |
| 2238 | Y | 28.2 | Very low | 39 | Very low | 171 Ų | 171 | 104.9 Ų | 104.9 | 67% | 0.671 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.2 | -19.9 | -179.1 | -99.9 | -98.3 | 0 | 0 | 0 | 114.1 | N2236 M2242 | N2236-Y2238 HydrophobicContact CB-CD2 4.23Å; N2236-Y2238 PolarHBondContact O-N 2.84Å; N2236-Y2238 WeakPolarHBondContact OD1-CD2 3.47Å; Y2238-M2242 PolarHBondContact O-N 3.4Å; Y2238-M2242 VanDerWaalsContact O-N 3.15Å |
| 2239 | L | 30.8 | Very low | 37.5 | Very low | 114 Ų | 114 | 111.1 Ų | 111.1 | 60% | 0.597 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -84.6 | -24.9 | 172.2 | -76.5 | 165.2 | 0 | 0 | 0 | 113.7 | N2237 M2242 Q2243 | N2237-L2239 PolarHBondContact O-N 3.38Å; N2237-L2239 VanDerWaalsContact O-N 3.08Å; L2239-M2242 HydrophobicContact CD2-CE 4.01Å; L2239-M2242 WeakPolarHBondContact O-CB 3.5Å; L2239-Q2243 PolarHBondContact O-N 2.58Å; L2239-Q2243 VanDerWaalsContact O-N 3.14Å |
| 2240 | I | 32.3 | Very low | 36.2 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 41% | 0.405 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -91.7 | -27.6 | 175.2 | -66.1 | 179.7 | 0 | 0 | 0 | 111.4 | N2237 M2242 Q2243 R2244 | N2237-I2240 PolarHBondContact O-N 3.47Å; I2240-M2242 VanDerWaalsContact C-N 3.27Å; I2240-Q2243 CarbonylContact O-C 3.55Å; I2240-Q2243 WeakPolarHBondContact O-CA 3.43Å; I2240-Q2243 VanDerWaalsContact O-CB 3.3Å; I2240-Q2243 WeakPolarHBondContact O-CB 3.38Å; I2240-Q2243 PolarHBondContact O-N 2.8Å; I2240-R2244 PolarHBondContact O-N 3.24Å |
| 2241 | D | 28.5 | Very low | 34.8 | Very low | 76 Ų | 76 | 120.2 Ų | 120.2 | 41% | 0.406 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.3 | -21.4 | 160.7 | -81.2 | -24.7 | 0 | 0 | 0 | 112 | N2237 R2244 Q2245 | N2237-D2241 PolarHBondContact O-N 3Å; D2241-R2244 CarbonylContact O-C 3.54Å; D2241-R2244 PolarHBondContact O-N 3.36Å; D2241-R2244 VanDerWaalsContact O-N 3.14Å; D2241-Q2245 VanDerWaalsContact O-CB 3.29Å; D2241-Q2245 WeakPolarHBondContact O-CB 3.4Å; D2241-Q2245 WeakPolarHBondContact O-CG 3.2Å; D2241-Q2245 PolarHBondContact O-N 3.48Å |
| 2242 | M | 28.1 | Very low | 33.7 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 47% | 0.473 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.5 | -33.8 | 157.3 | -90.7 | -159.5 | -106.5 | 0 | 0 | 113 | Y2238 L2239 I2240 R2244 Q2245 L2246 | Y2238-M2242 PolarHBondContact O-N 3.4Å; Y2238-M2242 VanDerWaalsContact O-N 3.15Å; L2239-M2242 HydrophobicContact CD2-CE 4.01Å; L2239-M2242 WeakPolarHBondContact O-CB 3.5Å; I2240-M2242 VanDerWaalsContact C-N 3.27Å; M2242-R2244 PolarHBondContact O-N 2.92Å; M2242-Q2245 PolarHBondContact O-N 3.39Å; M2242-L2246 HydrophobicContact CB-CD1 4.34Å; M2242-L2246 WeakPolarHBondContact O-CB 3.34Å; M2242-L2246 WeakPolarHBondContact O-CD1 3.41Å; M2242-L2246 WeakPolarHBondContact O-CG 3.26Å; M2242-L2246 PolarHBondContact O-N 2.93Å |
| 2243 | Q | 29.4 | Very low | 32.7 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 61% | 0.612 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.6 | -13.3 | 169.5 | -70.1 | -172.9 | -24.5 | 0 | 0 | 113.9 | L2239 I2240 | L2239-Q2243 PolarHBondContact O-N 2.58Å; L2239-Q2243 VanDerWaalsContact O-N 3.14Å; I2240-Q2243 CarbonylContact O-C 3.55Å; I2240-Q2243 WeakPolarHBondContact O-CA 3.43Å; I2240-Q2243 VanDerWaalsContact O-CB 3.3Å; I2240-Q2243 WeakPolarHBondContact O-CB 3.38Å; I2240-Q2243 PolarHBondContact O-N 2.8Å |
| 2244 | R | 31 | Very low | 31.8 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -105.8 | -25.9 | 176.1 | -68.8 | 179.5 | 167.9 | -172.3 | -4.7 | 113.8 | I2240 D2241 M2242 | I2240-R2244 PolarHBondContact O-N 3.24Å; D2241-R2244 CarbonylContact O-C 3.54Å; D2241-R2244 PolarHBondContact O-N 3.36Å; D2241-R2244 VanDerWaalsContact O-N 3.14Å; M2242-R2244 PolarHBondContact O-N 2.92Å |
| 2245 | Q | 29.3 | Very low | 31.3 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -102.9 | 0.8 | 177.2 | -64.3 | -171.8 | 0.9 | 0 | 0 | 113.6 | D2241 M2242 P2247 | D2241-Q2245 VanDerWaalsContact O-CB 3.29Å; D2241-Q2245 WeakPolarHBondContact O-CB 3.4Å; D2241-Q2245 WeakPolarHBondContact O-CG 3.2Å; D2241-Q2245 PolarHBondContact O-N 3.48Å; M2242-Q2245 PolarHBondContact O-N 3.39Å; Q2245-P2247 VanDerWaalsContact O-CD 3.32Å; Q2245-P2247 WeakPolarHBondContact O-CD 3.39Å |
| 2246 | L | 26.4 | Very low | 31 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -89.9 | 105.8 | 157.2 | -70.6 | 169.2 | 0 | 0 | 0 | 107.7 | M2242 W2248 | M2242-L2246 HydrophobicContact CB-CD1 4.34Å; M2242-L2246 WeakPolarHBondContact O-CB 3.34Å; M2242-L2246 WeakPolarHBondContact O-CD1 3.41Å; M2242-L2246 WeakPolarHBondContact O-CG 3.26Å; M2242-L2246 PolarHBondContact O-N 2.93Å; L2246-W2248 PolarHBondContact O-N 2.8Å |
| 2247 | P | 31.4 | Very low | 31.3 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | trans | -61.5 | 130.9 | 173.9 | -19.9 | 33.6 | 0 | 0 | 0 | 109.4 | Q2245 | Q2245-P2247 VanDerWaalsContact O-CD 3.32Å; Q2245-P2247 WeakPolarHBondContact O-CD 3.39Å | ||
| 2248 | W | 26.8 | Very low | 31.8 | Very low | 216 Ų | 216 | 135.9 Ų | 135.9 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -56.6 | 155.7 | 161.4 | -65.5 | 64.9 | 0 | 0 | 0 | 108.4 | L2246 | L2246-W2248 PolarHBondContact O-N 2.8Š|
| 2249 | H | 29.6 | Very low | 32.1 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 89% | 0.894 | 61% | 0.61 | S | S | * | * | trans | 89 | 38 | -178 | -39.4 | -59.1 | 0 | 0 | 0 | 118.3 | ||||
| 2250 | S | 30.8 | Very low | 32.3 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -141.2 | 151.7 | 140.2 | 88.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 2251 | R | 29.4 | Very low | 32.7 | Very low | 214 Ų | 214 | 134.3 Ų | 134.3 | 81% | 0.808 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 66.9 | 148.3 | -173.1 | -49.1 | -175.4 | -172.4 | -142.5 | -3.9 | 112.6 | D2255 | R2251-D2255 HydrophobicContact CB-CB 3.93Š|
| 2252 | R | 35.9 | Very low | 33 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 70% | 0.702 | 61% | 0.609 | S | S | * | * | trans | -75.3 | 164.6 | -163.2 | -62.5 | 168.9 | -179.4 | -177.6 | 0.4 | 110.7 | D2254 D2255 V2256 | R2252-D2254 PolarHBondContact O-N 3.11Å; R2252-D2255 HydrophobicContact CB-CB 4.36Å; R2252-D2255 WeakPolarHBondContact CB-OD2 3.33Å; R2252-D2255 PolarHBondContact N-OD2 2.96Å; R2252-D2255 CarbonylContact O-C 3.53Å; R2252-D2255 WeakPolarHBondContact O-CA 3.34Å; R2252-D2255 PolarHBondContact O-N 2.81Å; R2252-V2256 WeakPolarHBondContact O-CB 3.41Å; R2252-V2256 WeakPolarHBondContact O-CG2 3.35Å; R2252-V2256 PolarHBondContact O-N 3.26Å | ||
| 2253 | R | 34.2 | Very low | 33.3 | Very low | 216 Ų | 216 | 131.6 Ų | 131.6 | 82% | 0.815 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.4 | -36.2 | 173.2 | -162.7 | -178.8 | -165.9 | 176.4 | 4.7 | 110.9 | V2256 E2257 | R2253-V2256 PolarHBondContact O-N 3.29Å; R2253-E2257 VanDerWaalsContact O-CB 3.3Å; R2253-E2257 WeakPolarHBondContact O-CB 3.24Å; R2253-E2257 PolarHBondContact O-N 3.4Å |
| 2254 | D | 37.2 | Very low | 33.5 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.9 | -31.7 | 175.5 | -42.4 | -28.4 | 0 | 0 | 0 | 112.3 | R2252 R2258 | R2252-D2254 PolarHBondContact O-N 3.11Å; D2254-R2258 WeakPolarHBondContact O-CA 3.38Å; D2254-R2258 WeakPolarHBondContact O-CB 3.19Å; D2254-R2258 PolarHBondContact O-N 2.72Å |
| 2255 | D | 35.1 | Very low | 33.6 | Very low | 63 Ų | 63 | 122.1 Ų | 122.1 | 34% | 0.337 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -82.6 | -20.8 | 174.1 | -63.8 | -53.7 | 0 | 0 | 0 | 112.9 | R2251 R2252 S2259 | R2251-D2255 HydrophobicContact CB-CB 3.93Å; R2252-D2255 HydrophobicContact CB-CB 4.36Å; R2252-D2255 WeakPolarHBondContact CB-OD2 3.33Å; R2252-D2255 PolarHBondContact N-OD2 2.96Å; R2252-D2255 CarbonylContact O-C 3.53Å; R2252-D2255 WeakPolarHBondContact O-CA 3.34Å; R2252-D2255 PolarHBondContact O-N 2.81Å; D2255-S2259 WeakPolarHBondContact O-CA 3.38Å; D2255-S2259 WeakPolarHBondContact O-CB 3.22Å; D2255-S2259 PolarHBondContact O-N 3.28Å |
| 2256 | V | 36 | Very low | 33.9 | Very low | 63 Ų | 63 | 124 Ų | 124 | 38% | 0.382 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -87.4 | -35.3 | 174 | 172.7 | 0 | 0 | 0 | 0 | 110 | R2252 R2253 L2260 | R2252-V2256 WeakPolarHBondContact O-CB 3.41Å; R2252-V2256 WeakPolarHBondContact O-CG2 3.35Å; R2252-V2256 PolarHBondContact O-N 3.26Å; R2253-V2256 PolarHBondContact O-N 3.29Å; V2256-L2260 HydrophobicContact CG1-CD1 4.02Å; V2256-L2260 WeakPolarHBondContact O-CB 3.33Å; V2256-L2260 WeakPolarHBondContact O-CD1 3.42Å; V2256-L2260 PolarHBondContact O-N 3.15Å |
| 2257 | E | 38.4 | Very low | 34.4 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 44% | 0.435 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.9 | -40 | 165.8 | -165.9 | -174.2 | 140.4 | 0 | 0 | 110.4 | R2253 L2260 R2261 | R2253-E2257 VanDerWaalsContact O-CB 3.3Å; R2253-E2257 WeakPolarHBondContact O-CB 3.24Å; R2253-E2257 PolarHBondContact O-N 3.4Å; E2257-L2260 PolarHBondContact O-N 3.37Å; E2257-R2261 VanDerWaalsContact O-CB 3.26Å; E2257-R2261 WeakPolarHBondContact O-CB 3.35Å; E2257-R2261 WeakPolarHBondContact O-CG 3.34Å; E2257-R2261 PolarHBondContact O-N 3.34Å; E2257-R2261 IonicContact OE1-CZ 3.97Å; E2257-R2261 IonicContact OE1-NE 3.71Å; E2257-R2261 PolarHBondContact OE1-NE 3.35Å; E2257-R2261 IonicContact OE1-NH2 2.72Å; E2257-R2261 PolarHBondContact OE1-NH2 3.35Å |
| 2258 | R | 39 | Very low | 34.7 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 54% | 0.543 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.9 | -33.2 | 171.8 | -178 | 179.4 | 172.1 | -158.1 | -7.5 | 112.2 | D2254 R2261 E2262 | D2254-R2258 WeakPolarHBondContact O-CA 3.38Å; D2254-R2258 WeakPolarHBondContact O-CB 3.19Å; D2254-R2258 PolarHBondContact O-N 2.72Å; R2258-R2261 CarbonylContact O-C 2.92Å; R2258-E2262 HydrophobicContact CG-CG 4.12Å; R2258-E2262 IonicContact CZ-OE1 3.61Å; R2258-E2262 IonicContact NE-OE1 2.67Å; R2258-E2262 PolarHBondContact NE-OE1 2.91Å; R2258-E2262 IonicContact NH2-OE1 3.76Å; R2258-E2262 PolarHBondContact NH2-OE1 3.35Å; R2258-E2262 WeakPolarHBondContact O-CA 3.41Å; R2258-E2262 WeakPolarHBondContact O-CB 3.37Å; R2258-E2262 WeakPolarHBondContact O-CG 3.28Å; R2258-E2262 PolarHBondContact O-N 3.43Å |
| 2259 | S | 34.5 | Very low | 35.4 | Very low | 66 Ų | 66 | 119 Ų | 119 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -83.4 | -20.7 | 174 | -167.9 | 0 | 0 | 0 | 0 | 112.8 | D2255 S2263 | D2255-S2259 WeakPolarHBondContact O-CA 3.38Å; D2255-S2259 WeakPolarHBondContact O-CB 3.22Å; D2255-S2259 PolarHBondContact O-N 3.28Å; S2259-S2263 WeakPolarHBondContact O-CB 3.41Å; S2259-S2263 PolarHBondContact O-N 3.1Å; S2259-S2263 PolarHBondContact O-OG 2.97Å |
| 2260 | L | 35.2 | Very low | 36.4 | Very low | 102 Ų | 102 | 112.1 Ų | 112.1 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -58.4 | 158.9 | -99.2 | 82 | 0 | 0 | 0 | 108 | V2256 E2257 E2262 S2263 L2264 | V2256-L2260 HydrophobicContact CG1-CD1 4.02Å; V2256-L2260 WeakPolarHBondContact O-CB 3.33Å; V2256-L2260 WeakPolarHBondContact O-CD1 3.42Å; V2256-L2260 PolarHBondContact O-N 3.15Å; E2257-L2260 PolarHBondContact O-N 3.37Å; L2260-E2262 VanDerWaalsContact C-N 3.25Å; L2260-E2262 PolarHBondContact O-N 3.4Å; L2260-E2262 VanDerWaalsContact O-N 3.16Å; L2260-S2263 PolarHBondContact O-N 3.17Å; L2260-S2263 VanDerWaalsContact O-N 3.16Å; L2260-L2264 HydrophobicContact CB-CD1 4.32Å; L2260-L2264 WeakPolarHBondContact O-CA 3.35Å; L2260-L2264 WeakPolarHBondContact O-CB 3.21Å; L2260-L2264 WeakPolarHBondContact O-CG 3.44Å; L2260-L2264 PolarHBondContact O-N 2.8Å |
| 2261 | R | 40.5 | Very low | 37.8 | Very low | 163 Ų | 163 | 111.1 Ų | 111.1 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -55 | -33.2 | 177.6 | -70.7 | 172.1 | -176.2 | -111.3 | 8.8 | 113.6 | E2257 R2258 L2264 A2265 | E2257-R2261 VanDerWaalsContact O-CB 3.26Å; E2257-R2261 WeakPolarHBondContact O-CB 3.35Å; E2257-R2261 WeakPolarHBondContact O-CG 3.34Å; E2257-R2261 PolarHBondContact O-N 3.34Å; E2257-R2261 IonicContact OE1-CZ 3.97Å; E2257-R2261 IonicContact OE1-NE 3.71Å; E2257-R2261 PolarHBondContact OE1-NE 3.35Å; E2257-R2261 IonicContact OE1-NH2 2.72Å; E2257-R2261 PolarHBondContact OE1-NH2 3.35Å; R2258-R2261 CarbonylContact O-C 2.92Å; R2261-L2264 CarbonylContact O-C 3.54Å; R2261-A2265 WeakPolarHBondContact O-CB 3.34Å; R2261-A2265 PolarHBondContact O-N 3.16Å |
| 2262 | E | 35 | Very low | 39.9 | Very low | 53 Ų | 53 | 101 Ų | 101 | 25% | 0.248 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -89.2 | -26.5 | 177.7 | -77.2 | -167.9 | -162 | 0 | 0 | 113.2 | R2258 L2260 A2265 R2266 | R2258-E2262 HydrophobicContact CG-CG 4.12Å; R2258-E2262 IonicContact CZ-OE1 3.61Å; R2258-E2262 IonicContact NE-OE1 2.67Å; R2258-E2262 PolarHBondContact NE-OE1 2.91Å; R2258-E2262 IonicContact NH2-OE1 3.76Å; R2258-E2262 PolarHBondContact NH2-OE1 3.35Å; R2258-E2262 WeakPolarHBondContact O-CA 3.41Å; R2258-E2262 WeakPolarHBondContact O-CB 3.37Å; R2258-E2262 WeakPolarHBondContact O-CG 3.28Å; R2258-E2262 PolarHBondContact O-N 3.43Å; L2260-E2262 VanDerWaalsContact C-N 3.25Å; L2260-E2262 PolarHBondContact O-N 3.4Å; L2260-E2262 VanDerWaalsContact O-N 3.16Å; E2262-A2265 PolarHBondContact O-N 3.1Å; E2262-R2266 WeakPolarHBondContact O-CA 3.18Å; E2262-R2266 WeakPolarHBondContact O-CB 3.37Å; E2262-R2266 WeakPolarHBondContact O-CG 3.43Å; E2262-R2266 PolarHBondContact O-N 2.59Å; E2262-R2266 IonicContact OE2-CZ 3Å; E2262-R2266 IonicContact OE2-NE 2.69Å; E2262-R2266 PolarHBondContact OE2-NE 2.9Å; E2262-R2266 IonicContact OE2-NH2 2.62Å; E2262-R2266 PolarHBondContact OE2-NH2 3.21Å |
| 2263 | S | 34.8 | Very low | 41.4 | Very low | 62 Ų | 62 | 94.4 Ų | 94.4 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.3 | -43.4 | 164.1 | -71.7 | 0 | 0 | 0 | 0 | 109.9 | S2259 L2260 A2265 R2266 L2267 | S2259-S2263 WeakPolarHBondContact O-CB 3.41Å; S2259-S2263 PolarHBondContact O-N 3.1Å; S2259-S2263 PolarHBondContact O-OG 2.97Å; L2260-S2263 PolarHBondContact O-N 3.17Å; L2260-S2263 VanDerWaalsContact O-N 3.16Å; S2263-A2265 PolarHBondContact O-N 3.05Å; S2263-R2266 PolarHBondContact O-N 3.33Å; S2263-L2267 VanDerWaalsContact O-CB 3.27Å; S2263-L2267 WeakPolarHBondContact O-CB 3.4Å; S2263-L2267 PolarHBondContact O-N 3.47Å |
| 2264 | L | 32 | Very low | 42.7 | Very low | 76 Ų | 76 | 88.5 Ų | 88.5 | 40% | 0.398 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66 | -10.4 | 170.4 | -62.8 | 172.3 | 0 | 0 | 0 | 113.5 | L2260 R2261 Q2268 L2269 | L2260-L2264 HydrophobicContact CB-CD1 4.32Å; L2260-L2264 WeakPolarHBondContact O-CA 3.35Å; L2260-L2264 WeakPolarHBondContact O-CB 3.21Å; L2260-L2264 WeakPolarHBondContact O-CG 3.44Å; L2260-L2264 PolarHBondContact O-N 2.8Å; R2261-L2264 CarbonylContact O-C 3.54Å; L2264-Q2268 VanDerWaalsContact O-CA 3.26Å; L2264-Q2268 WeakPolarHBondContact O-CA 3.25Å; L2264-L2269 WeakPolarHBondContact CD2-O 3.4Å |
| 2265 | A | 33 | Very low | 44.5 | Very low | 57 Ų | 57 | 82.9 Ų | 82.9 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -118.5 | -12.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | R2261 E2262 S2263 | R2261-A2265 WeakPolarHBondContact O-CB 3.34Å; R2261-A2265 PolarHBondContact O-N 3.16Å; E2262-A2265 PolarHBondContact O-N 3.1Å; S2263-A2265 PolarHBondContact O-N 3.05Å |
| 2266 | R | 36.6 | Very low | 46.5 | Very low | 200 Ų | 200 | 82.5 Ų | 82.5 | 76% | 0.755 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -94.6 | -30.6 | 169.3 | -70.3 | 177 | -169.2 | -161.7 | 6.1 | 112.5 | E2262 S2263 | E2262-R2266 WeakPolarHBondContact O-CA 3.18Å; E2262-R2266 WeakPolarHBondContact O-CB 3.37Å; E2262-R2266 WeakPolarHBondContact O-CG 3.43Å; E2262-R2266 PolarHBondContact O-N 2.59Å; E2262-R2266 IonicContact OE2-CZ 3Å; E2262-R2266 IonicContact OE2-NE 2.69Å; E2262-R2266 PolarHBondContact OE2-NE 2.9Å; E2262-R2266 IonicContact OE2-NH2 2.62Å; E2262-R2266 PolarHBondContact OE2-NH2 3.21Å; S2263-R2266 PolarHBondContact O-N 3.33Å |
| 2267 | L | 36.9 | Very low | 48 | Very low | 120 Ų | 120 | 81 Ų | 81 | 63% | 0.628 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -30.4 | 164.1 | -61.9 | 175.7 | 0 | 0 | 0 | 111 | S2263 L2269 | S2263-L2267 VanDerWaalsContact O-CB 3.27Å; S2263-L2267 WeakPolarHBondContact O-CB 3.4Å; S2263-L2267 PolarHBondContact O-N 3.47Å; L2267-L2269 HydrophobicContact CB-CB 4.05Å; L2267-L2269 HydrophobicContact CB-CD1 4.05Å; L2267-L2269 HydrophobicContact CB-CG 3.85Å; L2267-L2269 PolarHBondContact O-N 2.83Å |
| 2268 | Q | 37.5 | Very low | 49.4 | Very low | 139 Ų | 139 | 80 Ų | 80 | 65% | 0.65 | 40% | 0.4 | S | S | * | . | trans | 49.5 | 50.4 | -164.2 | -67.5 | -171.2 | -20.1 | 0 | 0 | 110.4 | L2264 D2273 | L2264-Q2268 VanDerWaalsContact O-CA 3.26Å; L2264-Q2268 WeakPolarHBondContact O-CA 3.25Å; Q2268-D2273 WeakPolarHBondContact O-CB 3.19Å | ||
| 2269 | L | 42.6 | Very low | 51.3 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | trans | -127.5 | 76.1 | 177.2 | -58.1 | 179.1 | 0 | 0 | 0 | 110.6 | L2264 L2267 D2273 | L2264-L2269 WeakPolarHBondContact CD2-O 3.4Å; L2267-L2269 HydrophobicContact CB-CB 4.05Å; L2267-L2269 HydrophobicContact CB-CD1 4.05Å; L2267-L2269 HydrophobicContact CB-CG 3.85Å; L2267-L2269 PolarHBondContact O-N 2.83Å; L2269-D2273 WeakPolarHBondContact CA-OD2 3.18Å; L2269-D2273 HydrophobicContact CD2-CB 3.67Å | ||
| 2270 | D | 50.5 | Low | 53.1 | Low | 48 Ų | 48 | 74.4 Ų | 74.4 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | trans | -54.6 | 167.3 | 154.1 | -173.6 | 0.6 | 0 | 0 | 0 | 109.3 | V2272 D2273 L2274 N2302 | D2270-V2272 HydrophobicContact CB-CB 3.97Å; D2270-V2272 PolarHBondContact O-N 3.29Å; D2270-V2272 VanDerWaalsContact O-N 3.15Å; D2270-V2272 WeakPolarHBondContact OD2-CG2 3.24Å; D2270-D2273 VanDerWaalsContact CB-OD2 3.3Å; D2270-D2273 WeakPolarHBondContact CB-OD2 3.2Å; D2270-D2273 PolarHBondContact N-OD2 2.71Å; D2270-D2273 PolarHBondContact O-N 3.42Å; D2270-L2274 WeakPolarHBondContact O-CB 3.21Å; D2270-L2274 PolarHBondContact O-N 3.34Å; D2270-N2302 PolarHBondContact OD2-ND2 3.47Å; D2270-N2302 VanDerWaalsContact OD2-ND2 3.13Å | ||
| 2271 | Y | 59.8 | Low | 54.4 | Low | 67 Ų | 67 | 72.2 Ų | 72.2 | 26% | 0.263 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.2 | -23.4 | 166 | 57.7 | -99.2 | 0 | 0 | 0 | 111 | Y2275 F2295 Q2299 N2302 I2303 | Y2271-Y2275 WeakPolarHBondContact O-CB 3.45Å; Y2271-Y2275 PolarHBondContact O-N 3.08Å; Y2271-F2295 AromaticContact CD2-CE1 3.74Å; Y2271-F2295 HydrophobicContact CD2-CE1 3.74Å; Y2271-F2295 AromaticContact CG-CE1 3.99Å; Y2271-F2295 HydrophobicContact CG-CE1 3.99Å; Y2271-F2295 HydrophobicContact CG-CZ 4.43Å; Y2271-Q2299 HydrophobicContact CE1-CG 4.09Å; Y2271-Q2299 HydrophobicContact CE2-CB 3.98Å; Y2271-Q2299 HydrophobicContact CE2-CG 4.4Å; Y2271-Q2299 VanDerWaalsContact CE2-O 3.23Å; Y2271-Q2299 WeakPolarHBondContact CE2-O 3.5Å; Y2271-N2302 HydrophobicContact CE2-CB 4.1Å; Y2271-N2302 VanDerWaalsContact OH-CB 3.27Å; Y2271-N2302 WeakPolarHBondContact OH-CB 3.19Å; Y2271-N2302 PolarHBondContact OH-ND2 2.78Å; Y2271-I2303 HydrophobicContact CD2-CD1 4Å; Y2271-I2303 HydrophobicContact CD2-CG1 3.82Å; Y2271-I2303 HydrophobicContact CE2-CG1 4.05Å |
| 2272 | V | 72.2 | Confident | 55.8 | Low | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55 | -60 | 164 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | D2270 Y2275 L2276 N2302 I2303 N2306 | D2270-V2272 HydrophobicContact CB-CB 3.97Å; D2270-V2272 PolarHBondContact O-N 3.29Å; D2270-V2272 VanDerWaalsContact O-N 3.15Å; D2270-V2272 WeakPolarHBondContact OD2-CG2 3.24Å; V2272-Y2275 CarbonylContact O-C 3.58Å; V2272-Y2275 WeakPolarHBondContact O-CA 3.5Å; V2272-Y2275 VanDerWaalsContact O-CB 3.28Å; V2272-Y2275 WeakPolarHBondContact O-CB 3.23Å; V2272-Y2275 PolarHBondContact O-N 2.87Å; V2272-Y2275 VanDerWaalsContact O-N 3.12Å; V2272-L2276 HydrophobicContact CG1-CD1 4.45Å; V2272-L2276 PolarHBondContact O-N 2.84Å; V2272-N2302 HydrophobicContact CG2-CB 4.36Å; V2272-N2302 WeakPolarHBondContact CG2-ND2 3.41Å; V2272-N2302 WeakPolarHBondContact CG2-O 3.5Å; V2272-I2303 HydrophobicContact CG2-CG1 4.29Å; V2272-N2306 HydrophobicContact CB-CB 4.5Å; V2272-N2306 HydrophobicContact CG1-CB 3.35Å; V2272-N2306 HydrophobicContact CG2-CB 4.35Å |
| 2273 | D | 67.9 | Low | 57.7 | Low | 47 Ų | 47 | 69.7 Ų | 69.7 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -83 | -18.4 | -174.6 | -20.7 | -99.5 | 0 | 0 | 0 | 113.6 | Q2268 L2269 D2270 L2276 G2277 | Q2268-D2273 WeakPolarHBondContact O-CB 3.19Å; L2269-D2273 WeakPolarHBondContact CA-OD2 3.18Å; L2269-D2273 HydrophobicContact CD2-CB 3.67Å; D2270-D2273 VanDerWaalsContact CB-OD2 3.3Å; D2270-D2273 WeakPolarHBondContact CB-OD2 3.2Å; D2270-D2273 PolarHBondContact N-OD2 2.71Å; D2270-D2273 PolarHBondContact O-N 3.42Å; D2273-L2276 HydrophobicContact CB-CB 4.28Å; D2273-L2276 HydrophobicContact CB-CD1 4.03Å; D2273-L2276 HydrophobicContact CB-CG 4.42Å; D2273-L2276 CarbonylContact O-C 3.59Å; D2273-L2276 PolarHBondContact O-N 2.87Å; D2273-G2277 PolarHBondContact O-N 3.07Å |
| 2274 | L | 61.8 | Low | 59.5 | Low | 92 Ų | 92 | 72.8 Ų | 72.8 | 48% | 0.482 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 162.6 | -141.6 | 172.1 | 0 | 0 | 0 | 109.4 | D2270 G2277 M2278 | D2270-L2274 WeakPolarHBondContact O-CB 3.21Å; D2270-L2274 PolarHBondContact O-N 3.34Å; L2274-G2277 PolarHBondContact O-N 3.31Å; L2274-M2278 PolarHBondContact O-N 2.83Å; L2274-M2278 VanDerWaalsContact O-N 3.12Å |
| 2275 | Y | 74.2 | Confident | 61.1 | Low | 5 Ų | 5 | 72.1 Ų | 72.1 | 2% | 0.02 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -74.3 | -30.6 | 170.3 | -178.3 | -83.4 | 0 | 0 | 0 | 112.8 | Y2271 V2272 G2277 M2278 E2279 I2290 I2292 I2303 V2309 K2310 P2311 | Y2271-Y2275 WeakPolarHBondContact O-CB 3.45Å; Y2271-Y2275 PolarHBondContact O-N 3.08Å; V2272-Y2275 CarbonylContact O-C 3.58Å; V2272-Y2275 WeakPolarHBondContact O-CA 3.5Å; V2272-Y2275 VanDerWaalsContact O-CB 3.28Å; V2272-Y2275 WeakPolarHBondContact O-CB 3.23Å; V2272-Y2275 PolarHBondContact O-N 2.87Å; V2272-Y2275 VanDerWaalsContact O-N 3.12Å; Y2275-G2277 VanDerWaalsContact C-N 3.28Å; Y2275-G2277 PolarHBondContact O-N 2.85Å; Y2275-M2278 HydrophobicContact CD2-SD 4.46Å; Y2275-M2278 CarbonylContact O-C 3.5Å; Y2275-M2278 WeakPolarHBondContact O-CA 3.4Å; Y2275-M2278 WeakPolarHBondContact O-CB 3.21Å; Y2275-M2278 PolarHBondContact O-N 3.45Å; Y2275-M2278 VanDerWaalsContact O-N 3.12Å; Y2275-E2279 PolarHBondContact O-N 2.85Å; Y2275-I2290 HydrophobicContact CE1-CD1 3.89Å; Y2275-I2290 HydrophobicContact CE2-CB 4.33Å; Y2275-I2290 HydrophobicContact CE2-CD1 4Å; Y2275-I2290 HydrophobicContact CE2-CG1 4.15Å; Y2275-I2290 VanDerWaalsContact CZ-CD1 3.47Å; Y2275-I2290 VanDerWaalsContact OH-CD1 3.28Å; Y2275-I2290 WeakPolarHBondContact OH-CD1 3.33Å; Y2275-I2290 WeakPolarHBondContact OH-CG1 3.46Å; Y2275-I2292 HydrophobicContact CD2-CG2 3.92Å; Y2275-I2292 HydrophobicContact CE2-CG2 4.26Å; Y2275-I2303 HydrophobicContact CD1-CG2 3.53Å; Y2275-I2303 HydrophobicContact CD2-CD1 4.24Å; Y2275-I2303 HydrophobicContact CD2-CG2 4.49Å; Y2275-I2303 HydrophobicContact CE1-CG2 3.68Å; Y2275-I2303 HydrophobicContact CG-CD1 4.08Å; Y2275-I2303 HydrophobicContact CG-CG2 3.98Å; Y2275-V2309 WeakPolarHBondContact CE1-O 3.42Å; Y2275-V2309 VanDerWaalsContact CZ-O 3.27Å; Y2275-V2309 PolarHBondContact OH-O 2.95Å; Y2275-K2310 PolarHBondContact OH-O 2.85Å; Y2275-P2311 HydrophobicContact CE1-CG 4.47Å; Y2275-P2311 HydrophobicContact CE2-CB 4.13Å; Y2275-P2311 HydrophobicContact CE2-CG 3.87Å; Y2275-P2311 WeakPolarHBondContact OH-CA 3.38Å |
| 2276 | L | 78.5 | Confident | 62.2 | Low | 55 Ų | 55 | 75.8 Ų | 75.8 | 29% | 0.288 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.1 | -28.3 | 166.6 | -62.8 | 175.3 | 0 | 0 | 0 | 112 | V2272 D2273 M2278 E2279 D2280 | V2272-L2276 HydrophobicContact CG1-CD1 4.45Å; V2272-L2276 PolarHBondContact O-N 2.84Å; D2273-L2276 HydrophobicContact CB-CB 4.28Å; D2273-L2276 HydrophobicContact CB-CD1 4.03Å; D2273-L2276 HydrophobicContact CB-CG 4.42Å; D2273-L2276 CarbonylContact O-C 3.59Å; D2273-L2276 PolarHBondContact O-N 2.87Å; L2276-M2278 VanDerWaalsContact C-N 3.33Å; L2276-E2279 CarbonylContact O-C 3.5Å; L2276-E2279 WeakPolarHBondContact O-CA 3.38Å; L2276-E2279 WeakPolarHBondContact O-CB 3.32Å; L2276-E2279 PolarHBondContact O-N 2.92Å; L2276-D2280 WeakPolarHBondContact O-CB 3.49Å; L2276-D2280 PolarHBondContact O-N 3.35Å |
| 2277 | G | 66.9 | Low | 63.3 | Low | 32 Ų | 32 | 68.5 Ų | 68.5 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D2273 L2274 Y2275 D2280 V2281 | D2273-G2277 PolarHBondContact O-N 3.07Å; L2274-G2277 PolarHBondContact O-N 3.31Å; Y2275-G2277 VanDerWaalsContact C-N 3.28Å; Y2275-G2277 PolarHBondContact O-N 2.85Å; G2277-D2280 PolarHBondContact O-N 3.28Å; G2277-V2281 VanDerWaalsContact O-CG2 3.26Å; G2277-V2281 WeakPolarHBondContact O-CG2 3.3Å; G2277-V2281 PolarHBondContact O-N 3.4Å |
| 2278 | M | 68.3 | Low | 64.8 | Low | 72 Ų | 72 | 69.8 Ų | 69.8 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 167.1 | -61.2 | 179.9 | 68.7 | 0 | 0 | 111.3 | L2274 Y2275 L2276 D2280 V2281 F2282 I2290 G2291 | L2274-M2278 PolarHBondContact O-N 2.83Å; L2274-M2278 VanDerWaalsContact O-N 3.12Å; Y2275-M2278 HydrophobicContact CD2-SD 4.46Å; Y2275-M2278 CarbonylContact O-C 3.5Å; Y2275-M2278 WeakPolarHBondContact O-CA 3.4Å; Y2275-M2278 WeakPolarHBondContact O-CB 3.21Å; Y2275-M2278 PolarHBondContact O-N 3.45Å; Y2275-M2278 VanDerWaalsContact O-N 3.12Å; L2276-M2278 VanDerWaalsContact C-N 3.33Å; M2278-D2280 VanDerWaalsContact C-N 3.32Å; M2278-D2280 PolarHBondContact O-N 3Å; M2278-V2281 PolarHBondContact O-N 2.72Å; M2278-F2282 VanDerWaalsContact O-CB 3.27Å; M2278-F2282 WeakPolarHBondContact O-CB 3.33Å; M2278-F2282 PolarHBondContact O-N 2.92Å; M2278-I2290 HydrophobicContact CB-CB 4.14Å; M2278-I2290 HydrophobicContact CB-CD1 4.34Å; M2278-I2290 HydrophobicContact CB-CG2 3.74Å; M2278-I2290 HydrophobicContact CE-CB 4.16Å; M2278-I2290 HydrophobicContact CE-CG2 4.19Å; M2278-I2290 WeakPolarHBondContact O-CG2 3.34Å; M2278-G2291 WeakPolarHBondContact CE-O 3.27Å |
| 2279 | E | 77.7 | Confident | 66.6 | Low | 26 Ų | 26 | 66 Ų | 66 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 172.8 | -166 | 176.6 | 123.1 | 0 | 0 | 112 | Y2275 L2276 F2282 S2283 I2290 K2308 V2309 | Y2275-E2279 PolarHBondContact O-N 2.85Å; L2276-E2279 CarbonylContact O-C 3.5Å; L2276-E2279 WeakPolarHBondContact O-CA 3.38Å; L2276-E2279 WeakPolarHBondContact O-CB 3.32Å; L2276-E2279 PolarHBondContact O-N 2.92Å; E2279-F2282 PolarHBondContact O-N 2.8Å; E2279-S2283 VanDerWaalsContact O-CB 3.3Å; E2279-S2283 WeakPolarHBondContact O-CB 3.47Å; E2279-S2283 PolarHBondContact O-N 2.78Å; E2279-S2283 PolarHBondContact O-OG 2.86Å; E2279-I2290 HydrophobicContact CB-CD1 4.1Å; E2279-K2308 WeakPolarHBondContact OE1-CB 3.29Å; E2279-K2308 PolarHBondContact OE2-N 3.04Å; E2279-V2309 HydrophobicContact CG-CB 3.89Å; E2279-V2309 HydrophobicContact CG-CG2 3.65Å; E2279-V2309 PolarHBondContact OE2-N 2.93Å |
| 2280 | D | 74.2 | Confident | 68.1 | Low | 66 Ų | 66 | 62.9 Ų | 62.9 | 35% | 0.353 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -50.6 | 172.1 | 169.5 | 73.3 | 0 | 0 | 0 | 111.4 | L2276 G2277 M2278 F2282 S2283 K2284 | L2276-D2280 WeakPolarHBondContact O-CB 3.49Å; L2276-D2280 PolarHBondContact O-N 3.35Å; G2277-D2280 PolarHBondContact O-N 3.28Å; M2278-D2280 VanDerWaalsContact C-N 3.32Å; M2278-D2280 PolarHBondContact O-N 3Å; D2280-F2282 PolarHBondContact O-N 2.92Å; D2280-S2283 WeakPolarHBondContact CA-OG 3.3Å; D2280-S2283 PolarHBondContact O-N 3.38Å; D2280-S2283 VanDerWaalsContact O-N 3.13Å; D2280-S2283 PolarHBondContact O-OG 2.98Å; D2280-K2284 WeakPolarHBondContact O-CB 3.36Å; D2280-K2284 WeakPolarHBondContact O-CG 3.49Å; D2280-K2284 PolarHBondContact O-N 3.39Å; D2280-K2284 WeakPolarHBondContact OD1-CE 3.49Å; D2280-K2284 IonicContact OD1-NZ 3.55Å; D2280-K2284 PolarHBondContact OD1-NZ 3.36Å; D2280-K2284 WeakPolarHBondContact OD2-CE 3.34Å; D2280-K2284 IonicContact OD2-NZ 2.59Å; D2280-K2284 PolarHBondContact OD2-NZ 3.13Å |
| 2281 | V | 62.4 | Low | 69.4 | Low | 57 Ų | 57 | 61.7 Ų | 61.7 | 35% | 0.345 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.1 | -35.1 | 175 | 172 | 0 | 0 | 0 | 0 | 111.6 | G2277 M2278 G2285 L2286 T2287 | G2277-V2281 VanDerWaalsContact O-CG2 3.26Å; G2277-V2281 WeakPolarHBondContact O-CG2 3.3Å; G2277-V2281 PolarHBondContact O-N 3.4Å; M2278-V2281 PolarHBondContact O-N 2.72Å; V2281-G2285 PolarHBondContact O-N 3.06Å; V2281-L2286 HydrophobicContact CG1-CB 3.73Å; V2281-L2286 HydrophobicContact CG1-CD1 4.47Å; V2281-L2286 WeakPolarHBondContact O-CB 3.31Å; V2281-L2286 PolarHBondContact O-N 3.32Å; V2281-T2287 HydrophobicContact CG1-CG2 4.01Å; V2281-T2287 PolarHBondContact O-N 2.79Å |
| 2282 | F | 68.7 | Low | 70.2 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 32% | 0.316 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.9 | -45 | 173 | 173.1 | -108.7 | 0 | 0 | 0 | 112.3 | M2278 E2279 D2280 K2284 G2285 T2287 R2288 I2290 V2309 | M2278-F2282 VanDerWaalsContact O-CB 3.27Å; M2278-F2282 WeakPolarHBondContact O-CB 3.33Å; M2278-F2282 PolarHBondContact O-N 2.92Å; E2279-F2282 PolarHBondContact O-N 2.8Å; D2280-F2282 PolarHBondContact O-N 2.92Å; F2282-K2284 VanDerWaalsContact C-N 3.27Å; F2282-K2284 PolarHBondContact O-N 3.34Å; F2282-G2285 WeakPolarHBondContact O-CA 3.32Å; F2282-G2285 PolarHBondContact O-N 3.26Å; F2282-T2287 HydrophobicContact CB-CG2 3.89Å; F2282-T2287 HydrophobicContact CD2-CG2 4.44Å; F2282-R2288 WeakPolarHBondContact CE2-O 3.2Å; F2282-I2290 HydrophobicContact CB-CD1 4.45Å; F2282-I2290 HydrophobicContact CB-CG2 3.93Å; F2282-V2309 HydrophobicContact CD1-CG1 4.04Å; F2282-V2309 HydrophobicContact CD1-CG2 3.96Å; F2282-V2309 HydrophobicContact CE1-CB 4.44Å; F2282-V2309 HydrophobicContact CE1-CG1 3.8Å; F2282-V2309 HydrophobicContact CE1-CG2 3.78Å; F2282-V2309 HydrophobicContact CZ-CG1 4.46Å |
| 2283 | S | 76.2 | Confident | 70.2 | Confident | 91 Ų | 91 | 61 Ų | 61 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65 | -30.9 | 177.3 | 78 | 0 | 0 | 0 | 0 | 112.8 | E2279 D2280 G2285 | E2279-S2283 VanDerWaalsContact O-CB 3.3Å; E2279-S2283 WeakPolarHBondContact O-CB 3.47Å; E2279-S2283 PolarHBondContact O-N 2.78Å; E2279-S2283 PolarHBondContact O-OG 2.86Å; D2280-S2283 WeakPolarHBondContact CA-OG 3.3Å; D2280-S2283 PolarHBondContact O-N 3.38Å; D2280-S2283 VanDerWaalsContact O-N 3.13Å; D2280-S2283 PolarHBondContact O-OG 2.98Å; S2283-G2285 PolarHBondContact O-N 2.75Å |
| 2284 | K | 71.2 | Confident | 70.2 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -2.3 | 171.2 | -72 | 169 | 175.7 | 161.4 | 0 | 113.4 | D2280 F2282 L2286 | D2280-K2284 WeakPolarHBondContact O-CB 3.36Å; D2280-K2284 WeakPolarHBondContact O-CG 3.49Å; D2280-K2284 PolarHBondContact O-N 3.39Å; D2280-K2284 WeakPolarHBondContact OD1-CE 3.49Å; D2280-K2284 IonicContact OD1-NZ 3.55Å; D2280-K2284 PolarHBondContact OD1-NZ 3.36Å; D2280-K2284 WeakPolarHBondContact OD2-CE 3.34Å; D2280-K2284 IonicContact OD2-NZ 2.59Å; D2280-K2284 PolarHBondContact OD2-NZ 3.13Å; F2282-K2284 VanDerWaalsContact C-N 3.27Å; F2282-K2284 PolarHBondContact O-N 3.34Å; K2284-L2286 HydrophobicContact CB-CD1 4.12Å; K2284-L2286 HydrophobicContact CB-CG 4.04Å; K2284-L2286 HydrophobicContact CD-CD1 4.49Å; K2284-L2286 PolarHBondContact O-N 3.22Å |
| 2285 | G | 65.2 | Low | 70.8 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 10.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V2281 F2282 S2283 T2287 | V2281-G2285 PolarHBondContact O-N 3.06Å; F2282-G2285 WeakPolarHBondContact O-CA 3.32Å; F2282-G2285 PolarHBondContact O-N 3.26Å; S2283-G2285 PolarHBondContact O-N 2.75Å; G2285-T2287 VanDerWaalsContact C-N 3.3Å |
| 2286 | L | 57.9 | Low | 71.1 | Confident | 134 Ų | 134 | 63.5 Ų | 63.5 | 70% | 0.702 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -75 | -22.2 | 179.8 | -61.7 | 172.8 | 0 | 0 | 0 | 112 | V2281 K2284 | V2281-L2286 HydrophobicContact CG1-CB 3.73Å; V2281-L2286 HydrophobicContact CG1-CD1 4.47Å; V2281-L2286 WeakPolarHBondContact O-CB 3.31Å; V2281-L2286 PolarHBondContact O-N 3.32Å; K2284-L2286 HydrophobicContact CB-CD1 4.12Å; K2284-L2286 HydrophobicContact CB-CG 4.04Å; K2284-L2286 HydrophobicContact CD-CD1 4.49Å; K2284-L2286 PolarHBondContact O-N 3.22Å |
| 2287 | T | 58.1 | Low | 71.4 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | trans | -128.8 | 150.9 | 163.8 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | V2281 F2282 G2285 S2289 I2290 | V2281-T2287 HydrophobicContact CG1-CG2 4.01Å; V2281-T2287 PolarHBondContact O-N 2.79Å; F2282-T2287 HydrophobicContact CB-CG2 3.89Å; F2282-T2287 HydrophobicContact CD2-CG2 4.44Å; G2285-T2287 VanDerWaalsContact C-N 3.3Å; T2287-S2289 PolarHBondContact OG1-N 3.4Å; T2287-S2289 PolarHBondContact OG1-O 2.91Å; T2287-I2290 HydrophobicContact CG2-CG2 3.63Å | ||
| 2288 | R | 70.2 | Confident | 72 | Confident | 148 Ų | 148 | 67.3 Ų | 67.3 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -84.8 | -10.9 | 174.1 | -71.1 | 179.9 | 174.1 | 165.2 | -4.4 | 113.9 | E2227 F2282 | E2227-R2288 PolarHBondContact O-NH1 3.28Å; E2227-R2288 PolarHBondContact O-NH2 2.65Å; F2282-R2288 WeakPolarHBondContact CE2-O 3.2Å |
| 2289 | S | 73.6 | Confident | 72.6 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 42% | 0.42 | 37% | 0.368 | S | S | . | . | trans | -166.1 | 154 | -175.4 | 56 | 0 | 0 | 0 | 0 | 111.6 | T2287 | T2287-S2289 PolarHBondContact OG1-N 3.4Å; T2287-S2289 PolarHBondContact OG1-O 2.91Å | ||
| 2290 | I | 75.7 | Confident | 72.9 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | trans | -132.8 | 152.7 | 177.6 | 55.9 | 172.9 | 0 | 0 | 0 | 111.4 | Y2275 M2278 E2279 F2282 T2287 V2309 H2312 | Y2275-I2290 HydrophobicContact CE1-CD1 3.89Å; Y2275-I2290 HydrophobicContact CE2-CB 4.33Å; Y2275-I2290 HydrophobicContact CE2-CD1 4Å; Y2275-I2290 HydrophobicContact CE2-CG1 4.15Å; Y2275-I2290 VanDerWaalsContact CZ-CD1 3.47Å; Y2275-I2290 VanDerWaalsContact OH-CD1 3.28Å; Y2275-I2290 WeakPolarHBondContact OH-CD1 3.33Å; Y2275-I2290 WeakPolarHBondContact OH-CG1 3.46Å; M2278-I2290 HydrophobicContact CB-CB 4.14Å; M2278-I2290 HydrophobicContact CB-CD1 4.34Å; M2278-I2290 HydrophobicContact CB-CG2 3.74Å; M2278-I2290 HydrophobicContact CE-CB 4.16Å; M2278-I2290 HydrophobicContact CE-CG2 4.19Å; M2278-I2290 WeakPolarHBondContact O-CG2 3.34Å; E2279-I2290 HydrophobicContact CB-CD1 4.1Å; F2282-I2290 HydrophobicContact CB-CD1 4.45Å; F2282-I2290 HydrophobicContact CB-CG2 3.93Å; T2287-I2290 HydrophobicContact CG2-CG2 3.63Å; I2290-V2309 HydrophobicContact CD1-CB 4.17Å; I2290-V2309 HydrophobicContact CD1-CG1 3.83Å; I2290-V2309 HydrophobicContact CG1-CG1 3.97Å; I2290-H2312 WeakPolarHBondContact O-CB 3.46Å; I2290-H2312 PolarHBondContact O-N 3.25Å | ||
| 2291 | G | 76.8 | Confident | 73.4 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | trans | -173.9 | -179.1 | -171 | 0 | 0 | 0 | 0 | 0 | 111.3 | M2278 N2313 | M2278-G2291 WeakPolarHBondContact CE-O 3.27Å; G2291-N2313 WeakPolarHBondContact CA-O 3.49Å | ||
| 2292 | I | 77.7 | Confident | 74.3 | Confident | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 164.1 | -164.1 | 50.7 | 179.2 | 0 | 0 | 0 | 111.2 | Y2275 F2295 I2300 I2303 P2311 N2313 L2314 Q2315 | Y2275-I2292 HydrophobicContact CD2-CG2 3.92Å; Y2275-I2292 HydrophobicContact CE2-CG2 4.26Å; I2292-F2295 HydrophobicContact CB-CD1 4.38Å; I2292-F2295 HydrophobicContact CB-CD2 4.09Å; I2292-F2295 HydrophobicContact CB-CE2 4.3Å; I2292-F2295 HydrophobicContact CB-CG 4.14Å; I2292-F2295 HydrophobicContact CD1-CB 4.11Å; I2292-F2295 HydrophobicContact CD1-CD1 4.12Å; I2292-F2295 HydrophobicContact CD1-CG 4.15Å; I2292-F2295 HydrophobicContact CG2-CD1 4.31Å; I2292-F2295 HydrophobicContact CG2-CE1 4.16Å; I2292-F2295 HydrophobicContact CG2-CE2 4.38Å; I2292-F2295 HydrophobicContact CG2-CZ 4.18Å; I2292-I2300 HydrophobicContact CD1-CG1 3.74Å; I2292-I2300 HydrophobicContact CD1-CG2 4.29Å; I2292-I2303 HydrophobicContact CG2-CD1 4.03Å; I2292-P2311 HydrophobicContact CD1-CB 3.88Å; I2292-P2311 HydrophobicContact CD1-CG 4.04Å; I2292-P2311 HydrophobicContact CG1-CB 4.01Å; I2292-N2313 WeakPolarHBondContact CG1-O 3.11Å; I2292-N2313 PolarHBondContact N-O 2.76Å; I2292-L2314 HydrophobicContact CD1-CD1 4.11Å; I2292-L2314 HydrophobicContact CG1-CB 4.17Å; I2292-L2314 HydrophobicContact CG1-CD1 3.83Å; I2292-L2314 VanDerWaalsContact O-CA 3.32Å; I2292-L2314 WeakPolarHBondContact O-CA 3.43Å; I2292-Q2315 PolarHBondContact O-N 3.5Å |
| 2293 | S | 70.5 | Confident | 75 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 135.3 | 175.7 | 71.1 | 0 | 0 | 0 | 0 | 112.4 | F2295 Q2315 | S2293-F2295 VanDerWaalsContact C-N 3.28Å; S2293-F2295 WeakPolarHBondContact O-CD2 3.38Å; S2293-F2295 PolarHBondContact O-N 2.84Å; S2293-Q2315 CarbonylContact C-O 3.53Å; S2293-Q2315 WeakPolarHBondContact CA-O 3.26Å; S2293-Q2315 VanDerWaalsContact CB-O 3.31Å; S2293-Q2315 WeakPolarHBondContact CB-O 3.49Å |
| 2294 | N | 68.3 | Low | 75.4 | Confident | 80 Ų | 80 | 57.3 Ų | 57.3 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 62.2 | 27.2 | -179.2 | -46.8 | -85.2 | 0 | 0 | 0 | 114.7 | Q2315 Y2341 | N2294-Q2315 PolarHBondContact N-O 3.34Å; N2294-Y2341 WeakPolarHBondContact OD1-CE1 3.05Å; N2294-Y2341 PolarHBondContact OD1-OH 2.95Å |
| 2295 | F | 74.8 | Confident | 76.2 | Confident | 44 Ų | 44 | 57 Ų | 57 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | trans | -84.4 | 150.9 | 173.7 | -80.8 | -134.8 | 0 | 0 | 0 | 111.1 | Y2271 I2292 S2293 Q2299 I2300 I2303 L2314 | Y2271-F2295 AromaticContact CD2-CE1 3.74Å; Y2271-F2295 HydrophobicContact CD2-CE1 3.74Å; Y2271-F2295 AromaticContact CG-CE1 3.99Å; Y2271-F2295 HydrophobicContact CG-CE1 3.99Å; Y2271-F2295 HydrophobicContact CG-CZ 4.43Å; I2292-F2295 HydrophobicContact CB-CD1 4.38Å; I2292-F2295 HydrophobicContact CB-CD2 4.09Å; I2292-F2295 HydrophobicContact CB-CE2 4.3Å; I2292-F2295 HydrophobicContact CB-CG 4.14Å; I2292-F2295 HydrophobicContact CD1-CB 4.11Å; I2292-F2295 HydrophobicContact CD1-CD1 4.12Å; I2292-F2295 HydrophobicContact CD1-CG 4.15Å; I2292-F2295 HydrophobicContact CG2-CD1 4.31Å; I2292-F2295 HydrophobicContact CG2-CE1 4.16Å; I2292-F2295 HydrophobicContact CG2-CE2 4.38Å; I2292-F2295 HydrophobicContact CG2-CZ 4.18Å; S2293-F2295 VanDerWaalsContact C-N 3.28Å; S2293-F2295 WeakPolarHBondContact O-CD2 3.38Å; S2293-F2295 PolarHBondContact O-N 2.84Å; F2295-Q2299 HydrophobicContact CB-CB 4.34Å; F2295-Q2299 HydrophobicContact CD1-CB 3.65Å; F2295-Q2299 HydrophobicContact CE1-CB 4.32Å; F2295-Q2299 HydrophobicContact CG-CB 4.31Å; F2295-I2300 HydrophobicContact CB-CD1 4.39Å; F2295-I2300 HydrophobicContact CB-CG1 3.89Å; F2295-I2303 HydrophobicContact CD1-CD1 4.02Å; F2295-I2303 HydrophobicContact CE1-CD1 3.59Å; F2295-L2314 HydrophobicContact CB-CD1 3.96Å | ||
| 2296 | N | 79.8 | Confident | 77 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | trans | -98.1 | 175.5 | 174.4 | 76.2 | 11.4 | 0 | 0 | 0 | 112.6 | D2298 Q2299 I2300 | N2296-D2298 PolarHBondContact O-N 3.49Å; N2296-D2298 PolarHBondContact OD1-N 3.46Å; N2296-Q2299 PolarHBondContact O-N 2.97Å; N2296-Q2299 WeakPolarHBondContact OD1-CB 3.26Å; N2296-Q2299 VanDerWaalsContact OD1-CG 3.24Å; N2296-Q2299 WeakPolarHBondContact OD1-CG 3.45Å; N2296-Q2299 PolarHBondContact OD1-N 2.71Å; N2296-Q2299 PolarHBondContact OD1-OE1 3.14Å; N2296-I2300 VanDerWaalsContact O-CD1 3.23Å; N2296-I2300 WeakPolarHBondContact O-CD1 3.45Å; N2296-I2300 WeakPolarHBondContact O-CG1 3.47Å; N2296-I2300 PolarHBondContact O-N 3.02Å; N2296-I2300 VanDerWaalsContact O-N 3.08Å | ||
| 2297 | I | 86.1 | Confident | 78.1 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -52.3 | -49.9 | -178.7 | -69.8 | 179.6 | 0 | 0 | 0 | 112.5 | Q2299 I2300 T2301 E2326 L2327 F2330 | I2297-Q2299 PolarHBondContact O-N 3.4Å; I2297-I2300 PolarHBondContact O-N 3.32Å; I2297-T2301 WeakPolarHBondContact O-CB 3.48Å; I2297-T2301 PolarHBondContact O-N 2.87Å; I2297-T2301 PolarHBondContact O-OG1 3.31Å; I2297-E2326 HydrophobicContact CD1-CB 4Å; I2297-L2327 HydrophobicContact CG1-CD1 3.9Å; I2297-F2330 HydrophobicContact CB-CD2 4.38Å; I2297-F2330 HydrophobicContact CB-CG 4.31Å; I2297-F2330 HydrophobicContact CD1-CB 4.03Å; I2297-F2330 HydrophobicContact CD1-CG 4.48Å; I2297-F2330 HydrophobicContact CG1-CB 3.77Å; I2297-F2330 HydrophobicContact CG1-CD1 4.47Å; I2297-F2330 HydrophobicContact CG1-CD2 4.3Å; I2297-F2330 HydrophobicContact CG1-CG 3.91Å; I2297-F2330 HydrophobicContact CG2-CD2 3.55Å; I2297-F2330 HydrophobicContact CG2-CE2 3.78Å; I2297-F2330 HydrophobicContact CG2-CG 3.97Å; I2297-F2330 HydrophobicContact CG2-CZ 4.4Å |
| 2298 | D | 79.3 | Confident | 79.2 | Confident | 112 Ų | 112 | 59.6 Ų | 59.6 | 60% | 0.599 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | -174.5 | -47.7 | -48.8 | 0 | 0 | 0 | 111.5 | N2296 I2300 T2301 N2302 | N2296-D2298 PolarHBondContact O-N 3.49Å; N2296-D2298 PolarHBondContact OD1-N 3.46Å; D2298-I2300 VanDerWaalsContact C-N 3.35Å; D2298-I2300 PolarHBondContact O-N 2.77Å; D2298-T2301 WeakPolarHBondContact O-CB 3.33Å; D2298-T2301 PolarHBondContact O-N 3.23Å; D2298-N2302 PolarHBondContact O-N 3.41Å |
| 2299 | Q | 81.2 | Confident | 79.6 | Confident | 58 Ų | 58 | 54.3 Ų | 54.3 | 27% | 0.271 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 177 | -67.2 | 170.9 | -54.3 | 0 | 0 | 112.1 | Y2271 F2295 N2296 I2297 I2303 | Y2271-Q2299 HydrophobicContact CE1-CG 4.09Å; Y2271-Q2299 HydrophobicContact CE2-CB 3.98Å; Y2271-Q2299 HydrophobicContact CE2-CG 4.4Å; Y2271-Q2299 VanDerWaalsContact CE2-O 3.23Å; Y2271-Q2299 WeakPolarHBondContact CE2-O 3.5Å; F2295-Q2299 HydrophobicContact CB-CB 4.34Å; F2295-Q2299 HydrophobicContact CD1-CB 3.65Å; F2295-Q2299 HydrophobicContact CE1-CB 4.32Å; F2295-Q2299 HydrophobicContact CG-CB 4.31Å; N2296-Q2299 PolarHBondContact O-N 2.97Å; N2296-Q2299 WeakPolarHBondContact OD1-CB 3.26Å; N2296-Q2299 VanDerWaalsContact OD1-CG 3.24Å; N2296-Q2299 WeakPolarHBondContact OD1-CG 3.45Å; N2296-Q2299 PolarHBondContact OD1-N 2.71Å; N2296-Q2299 PolarHBondContact OD1-OE1 3.14Å; I2297-Q2299 PolarHBondContact O-N 3.4Å; Q2299-I2303 PolarHBondContact O-N 3.05Å; Q2299-I2303 VanDerWaalsContact O-N 3.15Å |
| 2300 | I | 82.9 | Confident | 80 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.7 | -39.8 | 178.2 | -55.4 | 156.6 | 0 | 0 | 0 | 109.9 | I2292 F2295 N2296 I2297 D2298 N2302 I2303 L2304 L2314 L2327 F2330 I2336 | I2292-I2300 HydrophobicContact CD1-CG1 3.74Å; I2292-I2300 HydrophobicContact CD1-CG2 4.29Å; F2295-I2300 HydrophobicContact CB-CD1 4.39Å; F2295-I2300 HydrophobicContact CB-CG1 3.89Å; N2296-I2300 VanDerWaalsContact O-CD1 3.23Å; N2296-I2300 WeakPolarHBondContact O-CD1 3.45Å; N2296-I2300 WeakPolarHBondContact O-CG1 3.47Å; N2296-I2300 PolarHBondContact O-N 3.02Å; N2296-I2300 VanDerWaalsContact O-N 3.08Å; I2297-I2300 PolarHBondContact O-N 3.32Å; D2298-I2300 VanDerWaalsContact C-N 3.35Å; D2298-I2300 PolarHBondContact O-N 2.77Å; I2300-N2302 PolarHBondContact O-N 2.87Å; I2300-I2303 PolarHBondContact O-N 3.09Å; I2300-L2304 HydrophobicContact CG2-CD1 3.9Å; I2300-L2304 HydrophobicContact CG2-CG 4.44Å; I2300-L2304 WeakPolarHBondContact O-CD1 3.31Å; I2300-L2304 VanDerWaalsContact O-CG 3.22Å; I2300-L2304 WeakPolarHBondContact O-CG 3.31Å; I2300-L2304 PolarHBondContact O-N 3.13Å; I2300-L2314 HydrophobicContact CD1-CD2 3.77Å; I2300-L2327 HydrophobicContact CD1-CD1 3.66Å; I2300-F2330 HydrophobicContact CB-CD1 4.27Å; I2300-F2330 HydrophobicContact CB-CE1 3.69Å; I2300-F2330 HydrophobicContact CD1-CD1 4.27Å; I2300-F2330 HydrophobicContact CG2-CD1 4.27Å; I2300-F2330 HydrophobicContact CG2-CE1 3.63Å; I2300-I2336 HydrophobicContact CG2-CD1 3.22Å |
| 2301 | T | 85.7 | Confident | 80.2 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.6 | -51 | 173.5 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | I2297 D2298 I2303 L2304 D2305 F2330 | I2297-T2301 WeakPolarHBondContact O-CB 3.48Å; I2297-T2301 PolarHBondContact O-N 2.87Å; I2297-T2301 PolarHBondContact O-OG1 3.31Å; D2298-T2301 WeakPolarHBondContact O-CB 3.33Å; D2298-T2301 PolarHBondContact O-N 3.23Å; T2301-I2303 VanDerWaalsContact C-N 3.33Å; T2301-I2303 PolarHBondContact O-N 3.04Å; T2301-L2304 CarbonylContact O-C 3.54Å; T2301-L2304 WeakPolarHBondContact O-CA 3.44Å; T2301-L2304 WeakPolarHBondContact O-CB 3.28Å; T2301-L2304 PolarHBondContact O-N 2.92Å; T2301-D2305 PolarHBondContact O-N 3.03Å; T2301-F2330 WeakPolarHBondContact OG1-CE2 3.21Å; T2301-F2330 WeakPolarHBondContact OG1-CZ 3.49Å |
| 2302 | N | 80.7 | Confident | 80.3 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -31.6 | -178.7 | -162.6 | 42.6 | 0 | 0 | 0 | 113 | D2270 Y2271 V2272 D2298 I2300 N2306 | D2270-N2302 PolarHBondContact OD2-ND2 3.47Å; D2270-N2302 VanDerWaalsContact OD2-ND2 3.13Å; Y2271-N2302 HydrophobicContact CE2-CB 4.1Å; Y2271-N2302 VanDerWaalsContact OH-CB 3.27Å; Y2271-N2302 WeakPolarHBondContact OH-CB 3.19Å; Y2271-N2302 PolarHBondContact OH-ND2 2.78Å; V2272-N2302 HydrophobicContact CG2-CB 4.36Å; V2272-N2302 WeakPolarHBondContact CG2-ND2 3.41Å; V2272-N2302 WeakPolarHBondContact CG2-O 3.5Å; D2298-N2302 PolarHBondContact O-N 3.41Å; I2300-N2302 PolarHBondContact O-N 2.87Å; N2302-N2306 PolarHBondContact O-N 2.91Å; N2302-N2306 PolarHBondContact O-ND2 3.5Å; N2302-N2306 PolarHBondContact OD1-ND2 2.94Å; N2302-N2306 VanDerWaalsContact OD1-ND2 3.08Å |
| 2303 | I | 82.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 168.3 | -70.1 | 173.6 | 0 | 0 | 0 | 111 | Y2271 V2272 Y2275 I2292 F2295 Q2299 I2300 T2301 D2305 N2306 S2307 P2311 | Y2271-I2303 HydrophobicContact CD2-CD1 4Å; Y2271-I2303 HydrophobicContact CD2-CG1 3.82Å; Y2271-I2303 HydrophobicContact CE2-CG1 4.05Å; V2272-I2303 HydrophobicContact CG2-CG1 4.29Å; Y2275-I2303 HydrophobicContact CD1-CG2 3.53Å; Y2275-I2303 HydrophobicContact CD2-CD1 4.24Å; Y2275-I2303 HydrophobicContact CD2-CG2 4.49Å; Y2275-I2303 HydrophobicContact CE1-CG2 3.68Å; Y2275-I2303 HydrophobicContact CG-CD1 4.08Å; Y2275-I2303 HydrophobicContact CG-CG2 3.98Å; I2292-I2303 HydrophobicContact CG2-CD1 4.03Å; F2295-I2303 HydrophobicContact CD1-CD1 4.02Å; F2295-I2303 HydrophobicContact CE1-CD1 3.59Å; Q2299-I2303 PolarHBondContact O-N 3.05Å; Q2299-I2303 VanDerWaalsContact O-N 3.15Å; I2300-I2303 PolarHBondContact O-N 3.09Å; T2301-I2303 VanDerWaalsContact C-N 3.33Å; T2301-I2303 PolarHBondContact O-N 3.04Å; I2303-D2305 VanDerWaalsContact C-N 3.26Å; I2303-D2305 PolarHBondContact O-N 3.36Å; I2303-N2306 PolarHBondContact O-N 3.11Å; I2303-S2307 VanDerWaalsContact CG2-OG 3.3Å; I2303-S2307 WeakPolarHBondContact CG2-OG 3.42Å; I2303-S2307 VanDerWaalsContact O-CB 3.31Å; I2303-S2307 WeakPolarHBondContact O-CB 3.4Å; I2303-S2307 PolarHBondContact O-N 2.59Å; I2303-S2307 PolarHBondContact O-OG 3.17Å; I2303-P2311 HydrophobicContact CB-CG 4.46Å; I2303-P2311 HydrophobicContact CG2-CG 3.65Å |
| 2304 | L | 84.8 | Confident | 80.6 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 12% | 0.12 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -27.7 | -178.7 | -70.2 | 160.2 | 0 | 0 | 0 | 113.4 | I2300 T2301 K2310 F2330 H2334 I2336 | I2300-L2304 HydrophobicContact CG2-CD1 3.9Å; I2300-L2304 HydrophobicContact CG2-CG 4.44Å; I2300-L2304 WeakPolarHBondContact O-CD1 3.31Å; I2300-L2304 VanDerWaalsContact O-CG 3.22Å; I2300-L2304 WeakPolarHBondContact O-CG 3.31Å; I2300-L2304 PolarHBondContact O-N 3.13Å; T2301-L2304 CarbonylContact O-C 3.54Å; T2301-L2304 WeakPolarHBondContact O-CA 3.44Å; T2301-L2304 WeakPolarHBondContact O-CB 3.28Å; T2301-L2304 PolarHBondContact O-N 2.92Å; L2304-K2310 HydrophobicContact CD2-CB 3.94Å; L2304-K2310 HydrophobicContact CD2-CD 3.71Å; L2304-K2310 HydrophobicContact CD2-CG 3.74Å; L2304-F2330 HydrophobicContact CD1-CE1 4.04Å; L2304-F2330 HydrophobicContact CD1-CZ 4.1Å; L2304-H2334 HydrophobicContact CD1-CB 3.52Å; L2304-H2334 VanDerWaalsContact CD1-CG 3.46Å; L2304-H2334 HydrophobicContact CD2-CB 4.34Å; L2304-I2336 HydrophobicContact CD1-CD1 4.12Å; L2304-I2336 HydrophobicContact CD2-CD1 4.3Å; L2304-I2336 HydrophobicContact CG-CD1 4.47Å |
| 2305 | D | 88 | Confident | 80.6 | Confident | 121 Ų | 121 | 60.5 Ų | 60.5 | 65% | 0.647 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -82.3 | -21.7 | 178.3 | -67.2 | -24.1 | 0 | 0 | 0 | 113.1 | T2301 I2303 | T2301-D2305 PolarHBondContact O-N 3.03Å; I2303-D2305 VanDerWaalsContact C-N 3.26Å; I2303-D2305 PolarHBondContact O-N 3.36Å |
| 2306 | N | 83 | Confident | 80.2 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -119.6 | -19.7 | -172.7 | -67.4 | -82.6 | 0 | 0 | 0 | 115.5 | V2272 N2302 I2303 | V2272-N2306 HydrophobicContact CB-CB 4.5Å; V2272-N2306 HydrophobicContact CG1-CB 3.35Å; V2272-N2306 HydrophobicContact CG2-CB 4.35Å; N2302-N2306 PolarHBondContact O-N 2.91Å; N2302-N2306 PolarHBondContact O-ND2 3.5Å; N2302-N2306 PolarHBondContact OD1-ND2 2.94Å; N2302-N2306 VanDerWaalsContact OD1-ND2 3.08Å; I2303-N2306 PolarHBondContact O-N 3.11Å |
| 2307 | S | 80 | Confident | 79.3 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | trans | -98.4 | 155 | 178.1 | 69.8 | 0 | 0 | 0 | 0 | 113 | I2303 | I2303-S2307 VanDerWaalsContact CG2-OG 3.3Å; I2303-S2307 WeakPolarHBondContact CG2-OG 3.42Å; I2303-S2307 VanDerWaalsContact O-CB 3.31Å; I2303-S2307 WeakPolarHBondContact O-CB 3.4Å; I2303-S2307 PolarHBondContact O-N 2.59Å; I2303-S2307 PolarHBondContact O-OG 3.17Å | ||
| 2308 | K | 80.8 | Confident | 77.8 | Confident | 188 Ų | 188 | 54.1 Ų | 54.1 | 82% | 0.817 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -91.8 | -32.6 | 177.2 | -56.8 | 171.5 | -175.8 | 165 | 0 | 111.3 | E2279 | E2279-K2308 WeakPolarHBondContact OE1-CB 3.29Å; E2279-K2308 PolarHBondContact OE2-N 3.04Å |
| 2309 | V | 79.1 | Confident | 76.5 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -99.9 | 104.8 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | Y2275 E2279 F2282 I2290 | Y2275-V2309 WeakPolarHBondContact CE1-O 3.42Å; Y2275-V2309 VanDerWaalsContact CZ-O 3.27Å; Y2275-V2309 PolarHBondContact OH-O 2.95Å; E2279-V2309 HydrophobicContact CG-CB 3.89Å; E2279-V2309 HydrophobicContact CG-CG2 3.65Å; E2279-V2309 PolarHBondContact OE2-N 2.93Å; F2282-V2309 HydrophobicContact CD1-CG1 4.04Å; F2282-V2309 HydrophobicContact CD1-CG2 3.96Å; F2282-V2309 HydrophobicContact CE1-CB 4.44Å; F2282-V2309 HydrophobicContact CE1-CG1 3.8Å; F2282-V2309 HydrophobicContact CE1-CG2 3.78Å; F2282-V2309 HydrophobicContact CZ-CG1 4.46Å; I2290-V2309 HydrophobicContact CD1-CB 4.17Å; I2290-V2309 HydrophobicContact CD1-CG1 3.83Å; I2290-V2309 HydrophobicContact CG1-CG1 3.97Å |
| 2310 | K | 82.6 | Confident | 74.7 | Confident | 121 Ų | 121 | 48.3 Ų | 48.3 | 53% | 0.526 | 24% | 0.24 | S | C | . | . | trans | -63 | 145.2 | -178.8 | -57.6 | -172.9 | 175.4 | -174.6 | 0 | 112.3 | Y2275 L2304 H2312 | Y2275-K2310 PolarHBondContact OH-O 2.85Å; L2304-K2310 HydrophobicContact CD2-CB 3.94Å; L2304-K2310 HydrophobicContact CD2-CD 3.71Å; L2304-K2310 HydrophobicContact CD2-CG 3.74Å; K2310-H2312 PolarHBondContact O-N 2.91Å | ||
| 2311 | P | 80.6 | Confident | 73 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | trans | -55.7 | 121.8 | 177.7 | -26.2 | 34.1 | 0 | 0 | 0 | 111.8 | Y2275 I2292 I2303 N2313 I2336 | Y2275-P2311 HydrophobicContact CE1-CG 4.47Å; Y2275-P2311 HydrophobicContact CE2-CB 4.13Å; Y2275-P2311 HydrophobicContact CE2-CG 3.87Å; Y2275-P2311 WeakPolarHBondContact OH-CA 3.38Å; I2292-P2311 HydrophobicContact CD1-CB 3.88Å; I2292-P2311 HydrophobicContact CD1-CG 4.04Å; I2292-P2311 HydrophobicContact CG1-CB 4.01Å; I2303-P2311 HydrophobicContact CB-CG 4.46Å; I2303-P2311 HydrophobicContact CG2-CG 3.65Å; P2311-N2313 VanDerWaalsContact C-N 3.33Å; P2311-N2313 PolarHBondContact O-N 3.1Å; P2311-I2336 HydrophobicContact CB-CD1 4.33Å; P2311-I2336 HydrophobicContact CB-CG2 4.38Å; P2311-I2336 HydrophobicContact CG-CD1 4.44Å; P2311-I2336 WeakPolarHBondContact O-CG1 3.2Å; P2311-I2336 WeakPolarHBondContact O-CG2 3.34Å | ||
| 2312 | H | 78.9 | Confident | 71.5 | Confident | 130 Ų | 130 | 60.2 Ų | 60.2 | 60% | 0.602 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -76 | -25.4 | -175.8 | -123.5 | 85.3 | 0 | 0 | 0 | 112.9 | I2290 K2310 S2337 | I2290-H2312 WeakPolarHBondContact O-CB 3.46Å; I2290-H2312 PolarHBondContact O-N 3.25Å; K2310-H2312 PolarHBondContact O-N 2.91Å; H2312-S2337 VanDerWaalsContact O-CB 3.24Å; H2312-S2337 WeakPolarHBondContact O-CB 3.47Å; H2312-S2337 PolarHBondContact O-N 2.84Å; H2312-S2337 PolarHBondContact O-OG 2.9Å |
| 2313 | N | 74.1 | Confident | 70.7 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 147.2 | -178.5 | -169.9 | 22.3 | 0 | 0 | 0 | 111.3 | G2291 I2292 P2311 S2337 T2339 | G2291-N2313 WeakPolarHBondContact CA-O 3.49Å; I2292-N2313 WeakPolarHBondContact CG1-O 3.11Å; I2292-N2313 PolarHBondContact N-O 2.76Å; P2311-N2313 VanDerWaalsContact C-N 3.33Å; P2311-N2313 PolarHBondContact O-N 3.1Å; N2313-S2337 CarbonylContact C-O 3.37Å; N2313-S2337 WeakPolarHBondContact CA-O 3.44Å; N2313-S2337 WeakPolarHBondContact OD1-CB 3.4Å; N2313-S2337 PolarHBondContact OD1-O 3.18Å; N2313-S2337 VanDerWaalsContact OD1-O 3.06Å; N2313-T2339 PolarHBondContact ND2-OG1 3.3Å; N2313-T2339 PolarHBondContact OD1-OG1 2.99Å |
| 2314 | L | 79.6 | Confident | 69.8 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.1 | 167.2 | 171.2 | 67.3 | 0 | 0 | 0 | 108.9 | I2292 F2295 I2300 V2316 L2327 C2331 I2336 S2337 F2338 T2339 | I2292-L2314 HydrophobicContact CD1-CD1 4.11Å; I2292-L2314 HydrophobicContact CG1-CB 4.17Å; I2292-L2314 HydrophobicContact CG1-CD1 3.83Å; I2292-L2314 VanDerWaalsContact O-CA 3.32Å; I2292-L2314 WeakPolarHBondContact O-CA 3.43Å; F2295-L2314 HydrophobicContact CB-CD1 3.96Å; I2300-L2314 HydrophobicContact CD1-CD2 3.77Å; L2314-V2316 HydrophobicContact CD1-CG1 3.94Å; L2314-V2316 HydrophobicContact CD2-CG1 3.95Å; L2314-V2316 HydrophobicContact CG-CG1 3.79Å; L2314-L2327 HydrophobicContact CD2-CD1 4.09Å; L2314-L2327 HydrophobicContact CD2-CD2 4Å; L2314-L2327 HydrophobicContact CD2-CG 3.88Å; L2314-C2331 WeakPolarHBondContact CD2-SG 3.44Å; L2314-I2336 HydrophobicContact CB-CG2 4.08Å; L2314-S2337 PolarHBondContact N-O 2.83Å; L2314-F2338 HydrophobicContact CD2-CD2 4.25Å; L2314-F2338 HydrophobicContact CD2-CE2 4.38Å; L2314-T2339 PolarHBondContact O-N 3.44Å |
| 2315 | Q | 68.3 | Low | 69.3 | Low | 53 Ų | 53 | 65 Ų | 65 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.9 | 174 | -163.3 | -159.5 | 64.1 | 0 | 0 | 112.2 | I2292 S2293 N2294 T2339 Y2341 | I2292-Q2315 PolarHBondContact O-N 3.5Å; S2293-Q2315 CarbonylContact C-O 3.53Å; S2293-Q2315 WeakPolarHBondContact CA-O 3.26Å; S2293-Q2315 VanDerWaalsContact CB-O 3.31Å; S2293-Q2315 WeakPolarHBondContact CB-O 3.49Å; N2294-Q2315 PolarHBondContact N-O 3.34Å; Q2315-T2339 CarbonylContact C-O 3.52Å; Q2315-T2339 VanDerWaalsContact CA-O 3.24Å; Q2315-T2339 WeakPolarHBondContact CA-O 3.38Å; Q2315-T2339 HydrophobicContact CG-CG2 3.96Å; Q2315-Y2341 HydrophobicContact CG-CD1 4.1Å |
| 2316 | V | 66 | Low | 68.7 | Low | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 168 | -178.4 | -56.5 | 0 | 0 | 0 | 0 | 113.4 | L2314 C2318 Q2324 L2327 F2338 T2339 A2340 Y2341 | L2314-V2316 HydrophobicContact CD1-CG1 3.94Å; L2314-V2316 HydrophobicContact CD2-CG1 3.95Å; L2314-V2316 HydrophobicContact CG-CG1 3.79Å; V2316-C2318 HydrophobicContact CG2-CB 4.35Å; V2316-Q2324 HydrophobicContact CG2-CG 4.44Å; V2316-L2327 HydrophobicContact CG1-CD2 3.94Å; V2316-F2338 HydrophobicContact CG2-CE1 3.99Å; V2316-F2338 HydrophobicContact CG2-CE2 3.88Å; V2316-F2338 HydrophobicContact CG2-CZ 3.41Å; V2316-F2338 VanDerWaalsContact CG2-CZ 3.41Å; V2316-T2339 PolarHBondContact N-O 3.41Å; V2316-A2340 CarbonylContact O-C 3.53Å; V2316-A2340 VanDerWaalsContact O-CA 3.27Å; V2316-A2340 WeakPolarHBondContact O-CA 3.32Å; V2316-Y2341 VanDerWaalsContact C-CD1 3.5Å; V2316-Y2341 VanDerWaalsContact O-CD1 3.27Å; V2316-Y2341 WeakPolarHBondContact O-CD1 3.36Å; V2316-Y2341 PolarHBondContact O-N 2.96Å |
| 2317 | E | 61.5 | Low | 68.4 | Low | 29 Ų | 29 | 62.7 Ų | 62.7 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.1 | 160.5 | -171 | 119.5 | -136.1 | 0 | 0 | 108.5 | H2319 Q2324 Y2341 S2342 R2346 | E2317-H2319 IonicContact OE1-CD2 2.79Å; E2317-H2319 PolarHBondContact OE1-CD2 3.18Å; E2317-H2319 IonicContact OE1-NE2 2.72Å; E2317-Q2324 WeakPolarHBondContact O-CG 3.46Å; E2317-Y2341 VanDerWaalsContact CA-CE2 3.45Å; E2317-Y2341 HydrophobicContact CB-CD2 4.12Å; E2317-Y2341 HydrophobicContact CB-CE2 3.37Å; E2317-Y2341 HydrophobicContact CG-CD2 4.41Å; E2317-Y2341 HydrophobicContact CG-CE2 3.88Å; E2317-Y2341 WeakPolarHBondContact OE2-CE2 3.32Å; E2317-S2342 WeakPolarHBondContact OE1-CB 3.37Å; E2317-R2346 WeakPolarHBondContact OE1-CD 3.39Å; E2317-R2346 VanDerWaalsContact OE1-CG 3.22Å; E2317-R2346 WeakPolarHBondContact OE1-CG 3.33Å; E2317-R2346 IonicContact OE1-NE 3.6Å; E2317-R2346 IonicContact OE1-NH1 3.48Å; E2317-R2346 IonicContact OE2-CZ 2.69Å; E2317-R2346 IonicContact OE2-NE 3.39Å; E2317-R2346 IonicContact OE2-NH1 3.97Å; E2317-R2346 PolarHBondContact OE2-NH1 3.47Å |
| 2318 | C | 53.6 | Low | 68.2 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | trans | -150.8 | 122 | 166.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I1848 V2316 W2322 P2323 Q2324 F2338 A2340 P2343 | I1848-C2318 HydrophobicContact CG2-CB 4.45Å; V2316-C2318 HydrophobicContact CG2-CB 4.35Å; C2318-W2322 CarbonylContact C-O 3.59Å; C2318-W2322 WeakPolarHBondContact CA-O 2.87Å; C2318-W2322 PolarHBondContact SG-O 2.9Å; C2318-W2322 VanDerWaalsContact SG-O 3.39Å; C2318-P2323 VanDerWaalsContact SG-C 3.52Å; C2318-P2323 PolarHBondContact SG-O 3.33Å; C2318-P2323 VanDerWaalsContact SG-O 3.35Å; C2318-Q2324 HydrophobicContact CB-CB 4.33Å; C2318-Q2324 HydrophobicContact CB-CG 4.31Å; C2318-F2338 HydrophobicContact CB-CE1 4.45Å; C2318-A2340 HydrophobicContact CB-CB 3.67Å; C2318-P2343 WeakPolarHBondContact O-CA 3.47Å; C2318-P2343 WeakPolarHBondContact O-CB 3.36Å | ||
| 2319 | H | 52.9 | Low | 68.1 | Low | 13 Ų | 13 | 56.7 Ų | 56.7 | 6% | 0.06 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -152.5 | -176.2 | -171.4 | 59.4 | 56.8 | 0 | 0 | 0 | 112.1 | E2317 Y2321 W2322 S2342 P2343 | E2317-H2319 IonicContact OE1-CD2 2.79Å; E2317-H2319 PolarHBondContact OE1-CD2 3.18Å; E2317-H2319 IonicContact OE1-NE2 2.72Å; H2319-Y2321 PolarHBondContact ND1-N 2.9Å; H2319-Y2321 VanDerWaalsContact ND1-N 3.2Å; H2319-Y2321 PolarHBondContact O-N 2.79Å; H2319-W2322 WeakPolarHBondContact CE1-CB 3.35Å; H2319-W2322 PolarHBondContact N-O 2.86Å; H2319-W2322 WeakPolarHBondContact ND1-CB 3.48Å; H2319-W2322 PolarHBondContact ND1-N 3.39Å; H2319-W2322 CarbonylContact O-C 3.52Å; H2319-W2322 PolarHBondContact O-N 2.86Å; H2319-S2342 WeakPolarHBondContact CB-O 2.98Å; H2319-P2343 WeakPolarHBondContact CA-O 3.46Å; H2319-P2343 VanDerWaalsContact CB-C 3.5Å; H2319-P2343 WeakPolarHBondContact CB-O 3.2Å |
| 2320 | L | 42.5 | Very low | 68.4 | Low | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45 | -57.3 | -178.5 | -144.6 | 82.6 | 0 | 0 | 0 | 112.3 | Y1839 L1840 L1843 W2322 | Y1839-L2320 HydrophobicContact CD1-CB 4.5Å; Y1839-L2320 HydrophobicContact CD1-CD1 3.48Å; Y1839-L2320 VanDerWaalsContact CD1-CD1 3.48Å; Y1839-L2320 HydrophobicContact CD1-CG 3.58Å; Y1839-L2320 HydrophobicContact CE1-CD1 4.25Å; Y1839-L2320 HydrophobicContact CE1-CG 4.09Å; Y1839-L2320 WeakPolarHBondContact CE1-O 3.3Å; Y1839-L2320 HydrophobicContact CG-CD1 4.2Å; Y1839-L2320 HydrophobicContact CG-CG 4.16Å; Y1839-L2320 PolarHBondContact OH-O 3.09Å; L1840-L2320 HydrophobicContact CB-CD1 4.3Å; L1840-L2320 HydrophobicContact CD1-CD1 3.69Å; L1843-L2320 HydrophobicContact CD1-CD1 4.29Å; L2320-W2322 VanDerWaalsContact C-N 3.28Å; L2320-W2322 PolarHBondContact O-N 3.17Å |
| 2321 | Y | 48.5 | Very low | 68.3 | Low | 189 Ų | 189 | 50.2 Ų | 50.2 | 74% | 0.741 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 9.1 | -179.9 | -46.4 | -74.7 | 0 | 0 | 0 | 115.1 | H2319 | H2319-Y2321 PolarHBondContact ND1-N 2.9Å; H2319-Y2321 VanDerWaalsContact ND1-N 3.2Å; H2319-Y2321 PolarHBondContact O-N 2.79Å |
| 2322 | W | 54.8 | Low | 68.1 | Low | 103 Ų | 103 | 55.9 Ų | 55.9 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | B | Isolated β-bridge | trans | -156.3 | 77.5 | -173.5 | -161 | -110.7 | 0 | 0 | 0 | 111.8 | C2318 H2319 L2320 | C2318-W2322 CarbonylContact C-O 3.59Å; C2318-W2322 WeakPolarHBondContact CA-O 2.87Å; C2318-W2322 PolarHBondContact SG-O 2.9Å; C2318-W2322 VanDerWaalsContact SG-O 3.39Å; H2319-W2322 WeakPolarHBondContact CE1-CB 3.35Å; H2319-W2322 PolarHBondContact N-O 2.86Å; H2319-W2322 WeakPolarHBondContact ND1-CB 3.48Å; H2319-W2322 PolarHBondContact ND1-N 3.39Å; H2319-W2322 CarbonylContact O-C 3.52Å; H2319-W2322 PolarHBondContact O-N 2.86Å; L2320-W2322 VanDerWaalsContact C-N 3.28Å; L2320-W2322 PolarHBondContact O-N 3.17Å |
| 2323 | P | 62.3 | Low | 68.4 | Low | 26 Ų | 26 | 58.2 Ų | 58.2 | 17% | 0.169 | 26% | 0.255 | C | S | . | . | trans | -88.8 | -9.2 | -163.5 | 32.6 | -37.9 | 0 | 0 | 0 | 117.5 | Y1839 W1842 L1843 C2318 F2325 | Y1839-P2323 WeakPolarHBondContact OH-CG 3.36Å; W1842-P2323 HydrophobicContact CH2-CB 3.61Å; W1842-P2323 HydrophobicContact CZ3-CB 3.55Å; L1843-P2323 HydrophobicContact CD2-CB 4.4Å; C2318-P2323 VanDerWaalsContact SG-C 3.52Å; C2318-P2323 PolarHBondContact SG-O 3.33Å; C2318-P2323 VanDerWaalsContact SG-O 3.35Å; P2323-F2325 VanDerWaalsContact C-N 3.29Å; P2323-F2325 HydrophobicContact CB-CD2 3.88Å; P2323-F2325 HydrophobicContact CB-CE2 3.73Å; P2323-F2325 HydrophobicContact CG-CD2 3.57Å; P2323-F2325 HydrophobicContact CG-CE2 3.41Å; P2323-F2325 VanDerWaalsContact CG-CE2 3.41Å; P2323-F2325 PolarHBondContact O-N 3.5Å; P2323-F2325 VanDerWaalsContact O-N 3.08Å | ||
| 2324 | Q | 64.9 | Low | 68.8 | Low | 52 Ų | 52 | 58.6 Ų | 58.6 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | trans | 48.9 | 37.1 | 173.1 | -66.1 | -59.1 | -49.5 | 0 | 0 | 116.9 | V2316 E2317 C2318 E2326 L2327 H2328 F2338 | V2316-Q2324 HydrophobicContact CG2-CG 4.44Å; E2317-Q2324 WeakPolarHBondContact O-CG 3.46Å; C2318-Q2324 HydrophobicContact CB-CB 4.33Å; C2318-Q2324 HydrophobicContact CB-CG 4.31Å; Q2324-E2326 PolarHBondContact O-N 3.13Å; Q2324-L2327 PolarHBondContact O-N 3.21Å; Q2324-H2328 PolarHBondContact O-N 3.01Å; Q2324-H2328 VanDerWaalsContact O-N 3.13Å; Q2324-F2338 HydrophobicContact CB-CZ 3.94Å | ||
| 2325 | F | 73.3 | Confident | 68.8 | Low | 95 Ų | 95 | 65.7 Ų | 65.7 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -46.4 | -60.1 | -176.9 | -76.1 | -92.2 | 0 | 0 | 0 | 115.2 | W1842 P2323 L2327 H2328 E2329 | W1842-F2325 HydrophobicContact CD2-CZ 4.46Å; W1842-F2325 AromaticContact CE2-CE1 3.7Å; W1842-F2325 AromaticContact CE2-CZ 3.68Å; W1842-F2325 HydrophobicContact CH2-CD1 4.28Å; W1842-F2325 AromaticContact CH2-CE1 3.69Å; W1842-F2325 HydrophobicContact CH2-CE1 3.69Å; W1842-F2325 AromaticContact CH2-CE2 3.91Å; W1842-F2325 HydrophobicContact CH2-CE2 3.91Å; W1842-F2325 AromaticContact CH2-CZ 3.46Å; W1842-F2325 HydrophobicContact CH2-CZ 3.46Å; W1842-F2325 VanDerWaalsContact CH2-CZ 3.46Å; W1842-F2325 AromaticContact CZ2-CD1 3.85Å; W1842-F2325 HydrophobicContact CZ2-CD1 3.85Å; W1842-F2325 AromaticContact CZ2-CE1 3.05Å; W1842-F2325 HydrophobicContact CZ2-CE1 3.05Å; W1842-F2325 HydrophobicContact CZ2-CE2 4.09Å; W1842-F2325 AromaticContact CZ2-CZ 3.19Å; W1842-F2325 HydrophobicContact CZ2-CZ 3.19Å; W1842-F2325 HydrophobicContact CZ3-CE2 4.48Å; W1842-F2325 HydrophobicContact CZ3-CZ 4.15Å; P2323-F2325 VanDerWaalsContact C-N 3.29Å; P2323-F2325 HydrophobicContact CB-CD2 3.88Å; P2323-F2325 HydrophobicContact CB-CE2 3.73Å; P2323-F2325 HydrophobicContact CG-CD2 3.57Å; P2323-F2325 HydrophobicContact CG-CE2 3.41Å; P2323-F2325 VanDerWaalsContact CG-CE2 3.41Å; P2323-F2325 PolarHBondContact O-N 3.5Å; P2323-F2325 VanDerWaalsContact O-N 3.08Å; F2325-L2327 VanDerWaalsContact C-N 3.31Å; F2325-L2327 PolarHBondContact O-N 2.85Å; F2325-H2328 PolarHBondContact O-N 2.94Å; F2325-E2329 PolarHBondContact O-N 3.12Å; F2325-E2329 VanDerWaalsContact O-N 3.14Å |
| 2326 | E | 76 | Confident | 69.4 | Low | 154 Ų | 154 | 63.6 Ų | 63.6 | 72% | 0.72 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.7 | -32.5 | -170.1 | -66 | 137.8 | 133.2 | 0 | 0 | 111.3 | I2297 Q2324 E2329 F2330 | I2297-E2326 HydrophobicContact CD1-CB 4Å; Q2324-E2326 PolarHBondContact O-N 3.13Å; E2326-E2329 PolarHBondContact O-N 3.26Å; E2326-F2330 WeakPolarHBondContact O-CB 3.23Å; E2326-F2330 PolarHBondContact O-N 3.01Å |
| 2327 | L | 76.6 | Confident | 69.8 | Low | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.2 | -40 | 176.5 | -169.2 | 62.3 | 0 | 0 | 0 | 111.8 | I2297 I2300 L2314 V2316 Q2324 F2325 F2330 C2331 F2338 | I2297-L2327 HydrophobicContact CG1-CD1 3.9Å; I2300-L2327 HydrophobicContact CD1-CD1 3.66Å; L2314-L2327 HydrophobicContact CD2-CD1 4.09Å; L2314-L2327 HydrophobicContact CD2-CD2 4Å; L2314-L2327 HydrophobicContact CD2-CG 3.88Å; V2316-L2327 HydrophobicContact CG1-CD2 3.94Å; Q2324-L2327 PolarHBondContact O-N 3.21Å; F2325-L2327 VanDerWaalsContact C-N 3.31Å; F2325-L2327 PolarHBondContact O-N 2.85Å; L2327-F2330 PolarHBondContact O-N 3.2Å; L2327-C2331 PolarHBondContact O-N 2.68Å; L2327-C2331 PolarHBondContact O-SG 3.35Å; L2327-F2338 HydrophobicContact CB-CE2 4.31Å; L2327-F2338 HydrophobicContact CD2-CE2 4.26Å; L2327-F2338 HydrophobicContact CG-CE2 4.07Å |
| 2328 | H | 76.1 | Confident | 70.3 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -50 | 171 | 177.1 | 107.6 | 0 | 0 | 0 | 111.2 | R1846 Q2324 F2325 F2330 C2331 K2332 F2338 | R1846-H2328 PolarHBondContact O-CE1 2.74Å; R1846-H2328 PolarHBondContact O-ND1 2.78Å; Q2324-H2328 PolarHBondContact O-N 3.01Å; Q2324-H2328 VanDerWaalsContact O-N 3.13Å; F2325-H2328 PolarHBondContact O-N 2.94Å; H2328-F2330 VanDerWaalsContact C-N 3.27Å; H2328-F2330 PolarHBondContact O-N 3.47Å; H2328-C2331 PolarHBondContact O-N 3.49Å; H2328-K2332 VanDerWaalsContact O-CB 3.3Å; H2328-K2332 WeakPolarHBondContact O-CB 3.02Å; H2328-K2332 PolarHBondContact O-N 3.28Å; H2328-F2338 HydrophobicContact CB-CD2 4.22Å; H2328-F2338 HydrophobicContact CB-CE2 4.15Å; H2328-F2338 HydrophobicContact CB-CG 4.46Å; H2328-F2338 HydrophobicContact CB-CZ 4.32Å; H2328-F2338 AromaticContact ND1-CD1 3.95Å |
| 2329 | E | 79 | Confident | 70.9 | Confident | 61 Ų | 61 | 66 Ų | 66 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.8 | -38 | 178.2 | -94.9 | -69.4 | 131.1 | 0 | 0 | 112.4 | F2325 E2326 R2333 | F2325-E2329 PolarHBondContact O-N 3.12Å; F2325-E2329 VanDerWaalsContact O-N 3.14Å; E2326-E2329 PolarHBondContact O-N 3.26Å; E2329-R2333 VanDerWaalsContact O-CG 3.29Å; E2329-R2333 WeakPolarHBondContact O-CG 3.46Å; E2329-R2333 PolarHBondContact O-N 3.4Å; E2329-R2333 VanDerWaalsContact O-N 3.13Å; E2329-R2333 IonicContact OE2-CZ 3.05Å; E2329-R2333 IonicContact OE2-NE 3.44Å; E2329-R2333 PolarHBondContact OE2-NE 2.88Å; E2329-R2333 IonicContact OE2-NH2 2.75Å; E2329-R2333 PolarHBondContact OE2-NH2 3.38Å |
| 2330 | F | 84.2 | Confident | 71 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -53.3 | 174.6 | -174.6 | -89.7 | 0 | 0 | 0 | 112.2 | I2297 I2300 T2301 L2304 E2326 L2327 H2328 K2332 R2333 H2334 | I2297-F2330 HydrophobicContact CB-CD2 4.38Å; I2297-F2330 HydrophobicContact CB-CG 4.31Å; I2297-F2330 HydrophobicContact CD1-CB 4.03Å; I2297-F2330 HydrophobicContact CD1-CG 4.48Å; I2297-F2330 HydrophobicContact CG1-CB 3.77Å; I2297-F2330 HydrophobicContact CG1-CD1 4.47Å; I2297-F2330 HydrophobicContact CG1-CD2 4.3Å; I2297-F2330 HydrophobicContact CG1-CG 3.91Å; I2297-F2330 HydrophobicContact CG2-CD2 3.55Å; I2297-F2330 HydrophobicContact CG2-CE2 3.78Å; I2297-F2330 HydrophobicContact CG2-CG 3.97Å; I2297-F2330 HydrophobicContact CG2-CZ 4.4Å; I2300-F2330 HydrophobicContact CB-CD1 4.27Å; I2300-F2330 HydrophobicContact CB-CE1 3.69Å; I2300-F2330 HydrophobicContact CD1-CD1 4.27Å; I2300-F2330 HydrophobicContact CG2-CD1 4.27Å; I2300-F2330 HydrophobicContact CG2-CE1 3.63Å; T2301-F2330 WeakPolarHBondContact OG1-CE2 3.21Å; T2301-F2330 WeakPolarHBondContact OG1-CZ 3.49Å; L2304-F2330 HydrophobicContact CD1-CE1 4.04Å; L2304-F2330 HydrophobicContact CD1-CZ 4.1Å; E2326-F2330 WeakPolarHBondContact O-CB 3.23Å; E2326-F2330 PolarHBondContact O-N 3.01Å; L2327-F2330 PolarHBondContact O-N 3.2Å; H2328-F2330 VanDerWaalsContact C-N 3.27Å; H2328-F2330 PolarHBondContact O-N 3.47Å; F2330-K2332 PolarHBondContact O-N 3.49Å; F2330-R2333 PolarHBondContact O-N 3.17Å; F2330-H2334 AromaticContact CD1-CD2 4Å; F2330-H2334 AromaticContact CD2-CD2 3.82Å; F2330-H2334 AromaticContact CD2-NE2 3.95Å; F2330-H2334 AromaticContact CE1-CD2 3.56Å; F2330-H2334 AromaticContact CE2-CD2 3.4Å; F2330-H2334 VanDerWaalsContact CE2-CD2 3.4Å; F2330-H2334 WeakPolarHBondContact CE2-CD2 3.36Å; F2330-H2334 AromaticContact CE2-NE2 3.27Å; F2330-H2334 VanDerWaalsContact CE2-NE2 3.27Å; F2330-H2334 WeakPolarHBondContact CE2-NE2 3.07Å; F2330-H2334 AromaticContact CZ-CD2 3.24Å; F2330-H2334 WeakPolarHBondContact CZ-CD2 3.44Å; F2330-H2334 AromaticContact CZ-CG 3.97Å; F2330-H2334 AromaticContact CZ-NE2 3.4Å; F2330-H2334 WeakPolarHBondContact CZ-NE2 3.23Å; F2330-H2334 PolarHBondContact O-CD2 2.8Å; F2330-H2334 PolarHBondContact O-N 3.37Å; F2330-H2334 VanDerWaalsContact O-N 3.11Å |
| 2331 | C | 80.5 | Confident | 71.3 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54 | -40.4 | 176.8 | -76.7 | 0 | 0 | 0 | 0 | 112.1 | L2314 L2327 H2328 H2334 N2335 I2336 F2338 | L2314-C2331 WeakPolarHBondContact CD2-SG 3.44Å; L2327-C2331 PolarHBondContact O-N 2.68Å; L2327-C2331 PolarHBondContact O-SG 3.35Å; H2328-C2331 PolarHBondContact O-N 3.49Å; C2331-H2334 CarbonylContact O-C 3.59Å; C2331-H2334 PolarHBondContact O-N 2.75Å; C2331-N2335 PolarHBondContact O-N 3.37Å; C2331-I2336 HydrophobicContact CB-CB 4.12Å; C2331-I2336 HydrophobicContact CB-CG2 4.48Å; C2331-I2336 WeakPolarHBondContact CB-O 3.46Å; C2331-I2336 PolarHBondContact O-N 2.73Å; C2331-F2338 HydrophobicContact CB-CD2 4.33Å |
| 2332 | K | 77.4 | Confident | 71.2 | Confident | 121 Ų | 121 | 57.6 Ų | 57.6 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 176.8 | -166.7 | 171.9 | -168.6 | 162.6 | 0 | 113.2 | H2328 F2330 | H2328-K2332 VanDerWaalsContact O-CB 3.3Å; H2328-K2332 WeakPolarHBondContact O-CB 3.02Å; H2328-K2332 PolarHBondContact O-N 3.28Å; F2330-K2332 PolarHBondContact O-N 3.49Å |
| 2333 | R | 83.9 | Confident | 70.7 | Confident | 178 Ų | 178 | 52.9 Ų | 52.9 | 67% | 0.672 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -69 | -34.5 | 176.2 | -70.2 | 166 | -159.4 | -173.6 | 5.7 | 113 | E2329 F2330 | E2329-R2333 VanDerWaalsContact O-CG 3.29Å; E2329-R2333 WeakPolarHBondContact O-CG 3.46Å; E2329-R2333 PolarHBondContact O-N 3.4Å; E2329-R2333 VanDerWaalsContact O-N 3.13Å; E2329-R2333 IonicContact OE2-CZ 3.05Å; E2329-R2333 IonicContact OE2-NE 3.44Å; E2329-R2333 PolarHBondContact OE2-NE 2.88Å; E2329-R2333 IonicContact OE2-NH2 2.75Å; E2329-R2333 PolarHBondContact OE2-NH2 3.38Å; F2330-R2333 PolarHBondContact O-N 3.17Å |
| 2334 | H | 83.2 | Confident | 69.7 | Low | 64 Ų | 64 | 55.3 Ų | 55.3 | 30% | 0.296 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -96 | 5.6 | -178.1 | -65.8 | -83.9 | 0 | 0 | 0 | 114.1 | L2304 F2330 C2331 I2336 | L2304-H2334 HydrophobicContact CD1-CB 3.52Å; L2304-H2334 VanDerWaalsContact CD1-CG 3.46Å; L2304-H2334 HydrophobicContact CD2-CB 4.34Å; F2330-H2334 AromaticContact CD1-CD2 4Å; F2330-H2334 AromaticContact CD2-CD2 3.82Å; F2330-H2334 AromaticContact CD2-NE2 3.95Å; F2330-H2334 AromaticContact CE1-CD2 3.56Å; F2330-H2334 AromaticContact CE2-CD2 3.4Å; F2330-H2334 VanDerWaalsContact CE2-CD2 3.4Å; F2330-H2334 WeakPolarHBondContact CE2-CD2 3.36Å; F2330-H2334 AromaticContact CE2-NE2 3.27Å; F2330-H2334 VanDerWaalsContact CE2-NE2 3.27Å; F2330-H2334 WeakPolarHBondContact CE2-NE2 3.07Å; F2330-H2334 AromaticContact CZ-CD2 3.24Å; F2330-H2334 WeakPolarHBondContact CZ-CD2 3.44Å; F2330-H2334 AromaticContact CZ-CG 3.97Å; F2330-H2334 AromaticContact CZ-NE2 3.4Å; F2330-H2334 WeakPolarHBondContact CZ-NE2 3.23Å; F2330-H2334 PolarHBondContact O-CD2 2.8Å; F2330-H2334 PolarHBondContact O-N 3.37Å; F2330-H2334 VanDerWaalsContact O-N 3.11Å; C2331-H2334 CarbonylContact O-C 3.59Å; C2331-H2334 PolarHBondContact O-N 2.75Å; H2334-I2336 HydrophobicContact CB-CD1 4.14Å; H2334-I2336 HydrophobicContact CB-CG1 4.3Å |
| 2335 | N | 80 | Confident | 68.3 | Low | 149 Ų | 149 | 53.7 Ų | 53.7 | 80% | 0.797 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 45.3 | 178 | -160.4 | 70.8 | 0 | 0 | 0 | 113.8 | C2331 | C2331-N2335 PolarHBondContact O-N 3.37Š|
| 2336 | I | 81 | Confident | 66.6 | Low | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | trans | -108.5 | 129.9 | 178.1 | -57.4 | 177.1 | 0 | 0 | 0 | 107.7 | I2300 L2304 P2311 L2314 C2331 H2334 | I2300-I2336 HydrophobicContact CG2-CD1 3.22Å; L2304-I2336 HydrophobicContact CD1-CD1 4.12Å; L2304-I2336 HydrophobicContact CD2-CD1 4.3Å; L2304-I2336 HydrophobicContact CG-CD1 4.47Å; P2311-I2336 HydrophobicContact CB-CD1 4.33Å; P2311-I2336 HydrophobicContact CB-CG2 4.38Å; P2311-I2336 HydrophobicContact CG-CD1 4.44Å; P2311-I2336 WeakPolarHBondContact O-CG1 3.2Å; P2311-I2336 WeakPolarHBondContact O-CG2 3.34Å; L2314-I2336 HydrophobicContact CB-CG2 4.08Å; C2331-I2336 HydrophobicContact CB-CB 4.12Å; C2331-I2336 HydrophobicContact CB-CG2 4.48Å; C2331-I2336 WeakPolarHBondContact CB-O 3.46Å; C2331-I2336 PolarHBondContact O-N 2.73Å; H2334-I2336 HydrophobicContact CB-CD1 4.14Å; H2334-I2336 HydrophobicContact CB-CG1 4.3Å | ||
| 2337 | S | 74.3 | Confident | 64.5 | Low | 61 Ų | 61 | 52.2 Ų | 52.2 | 43% | 0.427 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 146.3 | 177.5 | -50.3 | 0 | 0 | 0 | 0 | 111.1 | H2312 N2313 L2314 | H2312-S2337 VanDerWaalsContact O-CB 3.24Å; H2312-S2337 WeakPolarHBondContact O-CB 3.47Å; H2312-S2337 PolarHBondContact O-N 2.84Å; H2312-S2337 PolarHBondContact O-OG 2.9Å; N2313-S2337 CarbonylContact C-O 3.37Å; N2313-S2337 WeakPolarHBondContact CA-O 3.44Å; N2313-S2337 WeakPolarHBondContact OD1-CB 3.4Å; N2313-S2337 PolarHBondContact OD1-O 3.18Å; N2313-S2337 VanDerWaalsContact OD1-O 3.06Å; L2314-S2337 PolarHBondContact N-O 2.83Å |
| 2338 | F | 71.7 | Confident | 62.4 | Low | 13 Ų | 13 | 55.2 Ų | 55.2 | 6% | 0.057 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115.8 | -179.8 | -172.1 | -83.8 | 0 | 0 | 0 | 110.9 | I1848 L2314 V2316 C2318 Q2324 L2327 H2328 C2331 | I1848-F2338 HydrophobicContact CD1-CE1 4.3Å; I1848-F2338 HydrophobicContact CG1-CD1 4.01Å; I1848-F2338 HydrophobicContact CG1-CE1 3.87Å; I1848-F2338 HydrophobicContact CG2-CD1 4.27Å; I1848-F2338 HydrophobicContact CG2-CE1 4Å; L2314-F2338 HydrophobicContact CD2-CD2 4.25Å; L2314-F2338 HydrophobicContact CD2-CE2 4.38Å; V2316-F2338 HydrophobicContact CG2-CE1 3.99Å; V2316-F2338 HydrophobicContact CG2-CE2 3.88Å; V2316-F2338 HydrophobicContact CG2-CZ 3.41Å; V2316-F2338 VanDerWaalsContact CG2-CZ 3.41Å; C2318-F2338 HydrophobicContact CB-CE1 4.45Å; Q2324-F2338 HydrophobicContact CB-CZ 3.94Å; L2327-F2338 HydrophobicContact CB-CE2 4.31Å; L2327-F2338 HydrophobicContact CD2-CE2 4.26Å; L2327-F2338 HydrophobicContact CG-CE2 4.07Å; H2328-F2338 HydrophobicContact CB-CD2 4.22Å; H2328-F2338 HydrophobicContact CB-CE2 4.15Å; H2328-F2338 HydrophobicContact CB-CG 4.46Å; H2328-F2338 HydrophobicContact CB-CZ 4.32Å; H2328-F2338 AromaticContact ND1-CD1 3.95Å; C2331-F2338 HydrophobicContact CB-CD2 4.33Å |
| 2339 | T | 65.3 | Low | 60 | Low | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.9 | -177.5 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | I1849 I1851 N2313 L2314 Q2315 V2316 | I1849-T2339 HydrophobicContact CB-CG2 4.46Å; I1849-T2339 HydrophobicContact CG2-CG2 4.25Å; I1851-T2339 HydrophobicContact CD1-CG2 3.99Å; N2313-T2339 PolarHBondContact ND2-OG1 3.3Å; N2313-T2339 PolarHBondContact OD1-OG1 2.99Å; L2314-T2339 PolarHBondContact O-N 3.44Å; Q2315-T2339 CarbonylContact C-O 3.52Å; Q2315-T2339 VanDerWaalsContact CA-O 3.24Å; Q2315-T2339 WeakPolarHBondContact CA-O 3.38Å; Q2315-T2339 HydrophobicContact CG-CG2 3.96Å; V2316-T2339 PolarHBondContact N-O 3.41Å |
| 2340 | A | 54.9 | Low | 57.4 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1848 I1849 I1850 I1851 V2316 C2318 P2343 | I1848-A2340 HydrophobicContact CG2-CB 3.3Å; I1849-A2340 CarbonylContact O-C 3.59Å; I1849-A2340 VanDerWaalsContact O-CA 3.28Å; I1849-A2340 WeakPolarHBondContact O-CA 3.41Å; I1849-A2340 VanDerWaalsContact O-CB 3.25Å; I1849-A2340 WeakPolarHBondContact O-CB 3.25Å; I1849-A2340 PolarHBondContact O-N 3.11Å; I1849-A2340 VanDerWaalsContact O-O 3.07Å; I1850-A2340 WeakPolarHBondContact CA-O 3.39Å; I1851-A2340 PolarHBondContact N-O 2.93Å; V2316-A2340 CarbonylContact O-C 3.53Å; V2316-A2340 VanDerWaalsContact O-CA 3.27Å; V2316-A2340 WeakPolarHBondContact O-CA 3.32Å; C2318-A2340 HydrophobicContact CB-CB 3.67Å; A2340-P2343 HydrophobicContact CB-CG 4.05Å |
| 2341 | Y | 49.8 | Very low | 54.6 | Low | 35 Ų | 35 | 69.4 Ų | 69.4 | 14% | 0.137 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 159.3 | 165.9 | 65 | -112.6 | 0 | 0 | 0 | 112.2 | N2294 Q2315 V2316 E2317 | N2294-Y2341 WeakPolarHBondContact OD1-CE1 3.05Å; N2294-Y2341 PolarHBondContact OD1-OH 2.95Å; Q2315-Y2341 HydrophobicContact CG-CD1 4.1Å; V2316-Y2341 VanDerWaalsContact C-CD1 3.5Å; V2316-Y2341 VanDerWaalsContact O-CD1 3.27Å; V2316-Y2341 WeakPolarHBondContact O-CD1 3.36Å; V2316-Y2341 PolarHBondContact O-N 2.96Å; E2317-Y2341 VanDerWaalsContact CA-CE2 3.45Å; E2317-Y2341 HydrophobicContact CB-CD2 4.12Å; E2317-Y2341 HydrophobicContact CB-CE2 3.37Å; E2317-Y2341 HydrophobicContact CG-CD2 4.41Å; E2317-Y2341 HydrophobicContact CG-CE2 3.88Å; E2317-Y2341 WeakPolarHBondContact OE2-CE2 3.32Å |
| 2342 | S | 46.9 | Very low | 51.8 | Low | 25 Ų | 25 | 78.6 Ų | 78.6 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | S | Bend | trans | 45.5 | 49 | -178.2 | -51.9 | 0 | 0 | 0 | 0 | 117.7 | I1851 E2317 H2319 L2344 G2345 R2346 | I1851-S2342 PolarHBondContact O-N 2.83Å; I1851-S2342 VanDerWaalsContact O-N 3.1Å; E2317-S2342 WeakPolarHBondContact OE1-CB 3.37Å; H2319-S2342 WeakPolarHBondContact CB-O 2.98Å; S2342-L2344 VanDerWaalsContact C-N 3.27Å; S2342-L2344 PolarHBondContact O-N 2.86Å; S2342-L2344 VanDerWaalsContact O-N 3.13Å; S2342-G2345 CarbonylContact O-C 3.59Å; S2342-G2345 VanDerWaalsContact O-C 3.28Å; S2342-G2345 WeakPolarHBondContact O-CA 3.12Å; S2342-G2345 PolarHBondContact O-N 3.3Å; S2342-R2346 WeakPolarHBondContact OG-CG 3.16Å; S2342-R2346 PolarHBondContact OG-NE 3.02Å |
| 2343 | P | 42.9 | Very low | 49.3 | Very low | 5 Ų | 5 | 78.7 Ų | 78.7 | 3% | 0.032 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3.4 | -163.8 | -23.8 | 43.7 | 0 | 0 | 0 | 116.7 | I1850 I1851 C2318 H2319 A2340 | I1850-P2343 HydrophobicContact CB-CB 4Å; I1850-P2343 HydrophobicContact CB-CG 3.69Å; I1850-P2343 HydrophobicContact CD1-CB 3.96Å; I1850-P2343 HydrophobicContact CD1-CG 4.49Å; I1850-P2343 HydrophobicContact CG1-CB 3.54Å; I1850-P2343 HydrophobicContact CG1-CG 3.54Å; I1850-P2343 HydrophobicContact CG2-CB 3.61Å; I1850-P2343 HydrophobicContact CG2-CG 3.56Å; I1851-P2343 WeakPolarHBondContact O-CD 3.08Å; C2318-P2343 WeakPolarHBondContact O-CA 3.47Å; C2318-P2343 WeakPolarHBondContact O-CB 3.36Å; H2319-P2343 WeakPolarHBondContact CA-O 3.46Å; H2319-P2343 VanDerWaalsContact CB-C 3.5Å; H2319-P2343 WeakPolarHBondContact CB-O 3.2Å; A2340-P2343 HydrophobicContact CB-CG 4.05Å |
| 2344 | L | 41.2 | Very low | 46.4 | Very low | 76 Ų | 76 | 74.1 Ų | 74.1 | 40% | 0.398 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 7.1 | 167 | -55.8 | -176.9 | 0 | 0 | 0 | 111.8 | R2128 Y2129 S2342 | R2128-L2344 HydrophobicContact CB-CD1 4.2Å; R2128-L2344 HydrophobicContact CG-CD1 4.3Å; Y2129-L2344 HydrophobicContact CE1-CD1 3.64Å; Y2129-L2344 VanDerWaalsContact OH-CD1 3.31Å; Y2129-L2344 WeakPolarHBondContact OH-CD1 3.48Å; Y2129-L2344 WeakPolarHBondContact OH-CD2 3.26Å; S2342-L2344 VanDerWaalsContact C-N 3.27Å; S2342-L2344 PolarHBondContact O-N 2.86Å; S2342-L2344 VanDerWaalsContact O-N 3.13Å |
| 2345 | G | 36.6 | Very low | 43.5 | Very low | 18 Ų | 18 | 78.3 Ų | 78.3 | 19% | 0.186 | 45% | 0.453 | C | S | . | . | trans | 91.1 | 153.3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S2342 | S2342-G2345 CarbonylContact O-C 3.59Å; S2342-G2345 VanDerWaalsContact O-C 3.28Å; S2342-G2345 WeakPolarHBondContact O-CA 3.12Å; S2342-G2345 PolarHBondContact O-N 3.3Å | ||
| 2346 | R | 36.2 | Very low | 41 | Very low | 79 Ų | 79 | 81.7 Ų | 81.7 | 30% | 0.298 | 48% | 0.479 | S | S | . | . | trans | -81.8 | 125.3 | 158.2 | -81.4 | 176.4 | 169.2 | 158.1 | -10.3 | 109.4 | E2317 S2342 G2348 | E2317-R2346 WeakPolarHBondContact OE1-CD 3.39Å; E2317-R2346 VanDerWaalsContact OE1-CG 3.22Å; E2317-R2346 WeakPolarHBondContact OE1-CG 3.33Å; E2317-R2346 IonicContact OE1-NE 3.6Å; E2317-R2346 IonicContact OE1-NH1 3.48Å; E2317-R2346 IonicContact OE2-CZ 2.69Å; E2317-R2346 IonicContact OE2-NE 3.39Å; E2317-R2346 IonicContact OE2-NH1 3.97Å; E2317-R2346 PolarHBondContact OE2-NH1 3.47Å; S2342-R2346 WeakPolarHBondContact OG-CG 3.16Å; S2342-R2346 PolarHBondContact OG-NE 3.02Å; R2346-G2348 PolarHBondContact O-N 3.35Å | ||
| 2347 | P | 33.6 | Very low | 39 | Very low | 139 Ų | 139 | 85.4 Ų | 85.4 | 90% | 0.903 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 105.4 | 163.2 | -16.7 | 30.6 | 0 | 0 | 0 | 108.7 | ||
| 2348 | G | 32 | Very low | 37.1 | Very low | 76 Ų | 76 | 86.7 Ų | 86.7 | 78% | 0.784 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104 | 20.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | R2346 | R2346-G2348 PolarHBondContact O-N 3.35Š|
| 2349 | Q | 25 | Very low | 35.2 | Very low | 132 Ų | 132 | 90.8 Ų | 90.8 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | trans | -134.6 | 132.1 | 167.3 | -75.3 | -159.5 | -24.6 | 0 | 0 | 114.7 | ||||
| 2350 | S | 24.2 | Very low | 33.4 | Very low | 92 Ų | 92 | 95.3 Ų | 95.3 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | trans | 59.8 | 122.2 | -174 | 74.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2351 | N | 25.4 | Very low | 32.1 | Very low | 172 Ų | 172 | 101.3 Ų | 101.3 | 92% | 0.92 | 59% | 0.59 | S | S | * | * | cis | 63.6 | 29 | 10.2 | -104.3 | 7.9 | 0 | 0 | 0 | 115.5 | ||||
| 2352 | R | 22.9 | Very low | 30.9 | Very low | 194 Ų | 194 | 105.7 Ų | 105.7 | 73% | 0.732 | 62% | 0.621 | S | S | * | * | trans | -112.4 | 113 | 142.6 | -77 | -170.3 | 174 | -161 | -0.8 | 107.5 | ||||
| 2353 | P | 25 | Very low | 29.7 | Very low | 122 Ų | 122 | 111.4 Ų | 111.4 | 79% | 0.792 | 65% | 0.652 | S | S | * | * | trans | -81.6 | 173.2 | 179.4 | 34.6 | -35.9 | 0 | 0 | 0 | 111.9 | ||||
| 2354 | A | 22.5 | Very low | 28.7 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | 81.2 | 118.6 | 165 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2355 | N | 22.7 | Very low | 27.7 | Very low | 153 Ų | 153 | 123.3 Ų | 123.3 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | 74 | 76.4 | 138.7 | -52.2 | -0.9 | 0 | 0 | 0 | 118.9 | ||||
| 2356 | V | 26.1 | Very low | 26.9 | Very low | 220 Ų | 220 | 132.8 Ų | 132.8 | 100% | 1.333 | 77% | 0.774 | S | S | * | * | -130.5 | 0 | 98.1 | -175.6 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 2,356 of 2,356 residues in 2159.1 ms
(Link to these results)