| 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 | 55.7 | Low | 80.6 | Confident | 114 Ų | 114 | 43.6 Ų | 43.6 | 56% | 0.562 | 24% | 0.239 | S | C | * | . | 0 | 4.8 | 0 | -67.3 | -149.4 | -58.4 | 0 | 0 | 113.5 | L23 V49 | M1-L23 HydrophobicContact CE-CD1 3.54Å; M1-V49 HydrophobicContact CE-CG2 3.28Å; M1-V49 HydrophobicContact SD-CG2 3.35Å; M1-V49 WeakPolarHBondContact SD-CG2 3.29Å | |||
| 2 | G | 62.6 | Low | 80.8 | Confident | 68 Ų | 68 | 46.5 Ų | 46.5 | 70% | 0.701 | 26% | 0.259 | S | S | * | . | trans | 72.5 | -163.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | R | 72 | Confident | 80.7 | Confident | 160 Ų | 160 | 43.1 Ų | 43.1 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | trans | -70.2 | 133.4 | 176.9 | -164.5 | 175.4 | -164.9 | -178.9 | 6.4 | 109.7 | E65 | R3-E65 IonicContact CZ-OE2 3.28Å; R3-E65 IonicContact NE-OE2 3.9Å; R3-E65 IonicContact NH2-OE2 2.86Å; R3-E65 PolarHBondContact NH2-OE2 3.08Å | ||
| 4 | V | 81.5 | Confident | 80 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | trans | -101.5 | 127.4 | 172.2 | 175.3 | 0 | 0 | 0 | 0 | 107.7 | L23 L61 | V4-L23 HydrophobicContact CG1-CB 4.17Å; V4-L23 HydrophobicContact CG1-CD2 4.03Å; V4-L61 HydrophobicContact CG2-CD2 4.32Å | ||
| 5 | H | 84.6 | Confident | 79.1 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 27% | 0.269 | 31% | 0.31 | S | S | . | . | trans | -94.7 | -20.3 | -175.8 | -66.1 | -80.7 | 0 | 0 | 0 | 113.6 | V24 Q27 | H5-V24 HydrophobicContact CB-CB 4.26Å; H5-V24 HydrophobicContact CB-CG1 4.05Å; H5-V24 PolarHBondContact N-O 3.01Å; H5-Q27 HydrophobicContact CB-CG 4.5Å; H5-Q27 VanDerWaalsContact CG-CD 3.41Å; H5-Q27 PolarHBondContact ND1-NE2 3.09Å | ||
| 6 | G | 84.2 | Confident | 78.4 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V24 C188 | G6-V24 PolarHBondContact O-N 3.05Å; G6-C188 VanDerWaalsContact CA-SG 3.6Å |
| 7 | L | 88.3 | Confident | 77.7 | Confident | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.5 | -173.6 | -170.3 | 58.9 | 0 | 0 | 0 | 111.1 | L21 L23 F168 W186 C188 | L7-L21 HydrophobicContact CD1-CD1 3.58Å; L7-L21 HydrophobicContact CD1-CD2 4.46Å; L7-L21 HydrophobicContact CD1-CG 3.94Å; L7-L23 HydrophobicContact CD1-CD2 3.54Å; L7-F168 HydrophobicContact CD1-CZ 3.98Å; L7-F168 HydrophobicContact CD2-CD1 4.28Å; L7-F168 HydrophobicContact CD2-CD2 4.1Å; L7-F168 HydrophobicContact CD2-CE1 3.59Å; L7-F168 HydrophobicContact CD2-CE2 3.36Å; L7-F168 HydrophobicContact CD2-CZ 3.11Å; L7-F168 HydrophobicContact CG-CE2 3.84Å; L7-F168 HydrophobicContact CG-CZ 3.68Å; L7-W186 WeakPolarHBondContact CB-O 3.49Å; L7-W186 PolarHBondContact N-O 2.76Å; L7-C188 PolarHBondContact O-N 2.99Å |
| 8 | V | 90.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -49 | 169.7 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | L22 V24 V46 F123 N161 M190 | V8-L22 HydrophobicContact CB-CB 3.75Å; V8-L22 WeakPolarHBondContact CB-O 3.28Å; V8-L22 HydrophobicContact CG1-CB 4.31Å; V8-L22 HydrophobicContact CG1-CD1 4.48Å; V8-L22 HydrophobicContact CG2-CB 4.28Å; V8-L22 PolarHBondContact N-O 3.3Å; V8-V24 HydrophobicContact CG2-CG2 3.72Å; V8-V46 HydrophobicContact CG2-CG1 4.12Å; V8-V46 HydrophobicContact CG2-CG2 4Å; V8-F123 HydrophobicContact CG1-CE1 4.38Å; V8-F123 HydrophobicContact CG1-CZ 4.09Å; V8-N161 HydrophobicContact CG1-CB 3.9Å; V8-N161 PolarHBondContact O-ND2 3.17Å; V8-M190 HydrophobicContact CB-CE 4.27Å; V8-M190 HydrophobicContact CG1-CE 4.19Å; V8-M190 HydrophobicContact CG1-SD 3.89Å; V8-M190 HydrophobicContact CG2-CE 3.49Å; V8-M190 VanDerWaalsContact CG2-CE 3.49Å; V8-M190 HydrophobicContact CG2-SD 4.26Å |
| 9 | G | 89.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.3 | -160.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | L22 S164 | G9-L22 PolarHBondContact N-O 3.29Å; G9-L22 WeakPolarHBondContact O-CB 3.39Å; G9-L22 PolarHBondContact O-N 3.01Å; G9-S164 CarbonylContact C-O 3.48Å; G9-S164 WeakPolarHBondContact CA-O 3.28Å |
| 10 | C | 88.6 | Confident | 78.2 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.4 | 177.6 | -53 | 0 | 0 | 0 | 0 | 111.4 | Y20 W51 S164 C167 | C10-Y20 CarbonylContact C-O 3.54Å; C10-Y20 WeakPolarHBondContact CA-O 3.24Å; C10-W51 HydrophobicContact CB-CZ2 3.87Å; C10-S164 PolarHBondContact N-O 3.42Å; C10-S164 WeakPolarHBondContact O-CA 3.23Å; C10-S164 WeakPolarHBondContact O-CB 3.49Å; C10-S164 PolarHBondContact O-OG 3.02Å; C10-S164 VanDerWaalsContact O-OG 3.12Å; C10-C167 HydrophobicContact CB-CB 3.7Å; C10-C167 WeakPolarHBondContact CB-SG 3.1Å; C10-C167 WeakPolarHBondContact SG-CB 3.26Å; C10-C167 CovalentContact SG-SG 2.06Å; C10-C167 PolarHBondContact SG-SG 2.78Å |
| 11 | L | 88.8 | Confident | 78.7 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.9 | 170.6 | -174.8 | 72.1 | 0 | 0 | 0 | 110 | I13 G19 Y20 L22 L116 V119 | L11-I13 HydrophobicContact CD2-CG1 4.35Å; L11-I13 HydrophobicContact CG-CG1 4.41Å; L11-G19 CarbonylContact O-C 3.57Å; L11-G19 VanDerWaalsContact O-CA 3.24Å; L11-G19 WeakPolarHBondContact O-CA 3.31Å; L11-Y20 PolarHBondContact N-O 3.28Å; L11-Y20 PolarHBondContact O-N 3.41Å; L11-L22 HydrophobicContact CB-CD1 3.83Å; L11-L22 HydrophobicContact CB-CD2 4.27Å; L11-L22 HydrophobicContact CB-CG 3.94Å; L11-L22 HydrophobicContact CD2-CD1 4.35Å; L11-L22 HydrophobicContact CD2-CD2 4.48Å; L11-L116 HydrophobicContact CD2-CD1 3.86Å; L11-V119 HydrophobicContact CD2-CB 4.34Å; L11-V119 HydrophobicContact CD2-CG1 3.95Å |
| 12 | T | 82.6 | Confident | 80.4 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | trans | -108.6 | 118.2 | 172.2 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 13 | I | 80.1 | Confident | 81.7 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -89.6 | 130.2 | 177.9 | -60 | 174.3 | 0 | 0 | 0 | 108.1 | L11 G15 A16 Y20 I115 L116 | L11-I13 HydrophobicContact CD2-CG1 4.35Å; L11-I13 HydrophobicContact CG-CG1 4.41Å; I13-G15 PolarHBondContact O-N 3.45Å; I13-A16 HydrophobicContact CB-CB 4.02Å; I13-A16 WeakPolarHBondContact O-CB 3.45Å; I13-A16 PolarHBondContact O-N 2.86Å; I13-Y20 HydrophobicContact CD1-CD2 4.39Å; I13-Y20 HydrophobicContact CD1-CE2 3.97Å; I13-I115 HydrophobicContact CG2-CB 4.31Å; I13-I115 HydrophobicContact CG2-CD1 4.18Å; I13-I115 HydrophobicContact CG2-CG2 4.3Å; I13-L116 HydrophobicContact CD1-CB 3.63Å; I13-L116 HydrophobicContact CD1-CD1 4.3Å; I13-L116 HydrophobicContact CD1-CG 4.48Å | ||
| 14 | P | 70.1 | Confident | 82.7 | Confident | 96 Ų | 96 | 33 Ų | 33 | 62% | 0.623 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 130.2 | 175.8 | -28.6 | 35.7 | 0 | 0 | 0 | 112.3 | A16 | P14-A16 VanDerWaalsContact C-N 3.29Å; P14-A16 PolarHBondContact O-N 3.32Å |
| 15 | G | 66.3 | Low | 83 | Confident | 88 Ų | 88 | 32.3 Ų | 32.3 | 91% | 0.907 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -2.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I13 | I13-G15 PolarHBondContact O-N 3.45Š|
| 16 | A | 69.2 | Low | 83.3 | Confident | 19 Ų | 19 | 33.9 Ų | 33.9 | 16% | 0.157 | 20% | 0.204 | C | C | . | . | trans | -78.5 | 133.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I13 P14 S18 R112 | I13-A16 HydrophobicContact CB-CB 4.02Å; I13-A16 WeakPolarHBondContact O-CB 3.45Å; I13-A16 PolarHBondContact O-N 2.86Å; P14-A16 VanDerWaalsContact C-N 3.29Å; P14-A16 PolarHBondContact O-N 3.32Å; A16-S18 PolarHBondContact O-N 3.16Å; A16-R112 HydrophobicContact CB-CG 4.47Å; A16-R112 VanDerWaalsContact CB-CZ 3.44Å; A16-R112 VanDerWaalsContact CB-NE 3.31Å | ||
| 17 | K | 66 | Low | 83.7 | Confident | 189 Ų | 189 | 35.6 Ų | 35.6 | 82% | 0.822 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -66.2 | -13.4 | 175 | -65.9 | -170.3 | 178.5 | -174 | 0 | 114.8 | ||
| 18 | S | 72.2 | Confident | 84 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -158.8 | 139.3 | -177.7 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | A16 R112 | A16-S18 PolarHBondContact O-N 3.16Å; S18-R112 PolarHBondContact O-NH2 2.82Å; S18-R112 PolarHBondContact OG-NH2 3.14Å |
| 19 | G | 83.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -75.8 | 179.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | L11 W51 | L11-G19 CarbonylContact O-C 3.57Å; L11-G19 VanDerWaalsContact O-CA 3.24Å; L11-G19 WeakPolarHBondContact O-CA 3.31Å; G19-W51 VanDerWaalsContact CA-CE3 3.5Å; G19-W51 PolarHBondContact O-N 3.18Å; G19-W51 VanDerWaalsContact O-N 3.12Å | ||
| 20 | Y | 87.8 | Confident | 84.5 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 7% | 0.071 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.5 | -177.9 | -58.6 | -95 | 0 | 0 | 0 | 109.6 | C10 L11 I13 A48 V49 P50 R112 L116 | C10-Y20 CarbonylContact C-O 3.54Å; C10-Y20 WeakPolarHBondContact CA-O 3.24Å; L11-Y20 PolarHBondContact N-O 3.28Å; L11-Y20 PolarHBondContact O-N 3.41Å; I13-Y20 HydrophobicContact CD1-CD2 4.39Å; I13-Y20 HydrophobicContact CD1-CE2 3.97Å; Y20-A48 HydrophobicContact CD1-CB 4.16Å; Y20-A48 HydrophobicContact CG-CB 4.41Å; Y20-V49 CarbonylContact C-O 3.5Å; Y20-V49 WeakPolarHBondContact CA-O 3.24Å; Y20-P50 HydrophobicContact CD1-CB 4.39Å; Y20-P50 HydrophobicContact CD1-CG 4.17Å; Y20-P50 HydrophobicContact CE1-CB 4.4Å; Y20-P50 HydrophobicContact CE1-CG 4.06Å; Y20-R112 PolarHBondContact OH-NE 2.95Å; Y20-R112 PolarHBondContact OH-NH2 3.08Å; Y20-L116 HydrophobicContact CD1-CD2 3.95Å; Y20-L116 HydrophobicContact CD2-CD1 4.26Å; Y20-L116 HydrophobicContact CE1-CD2 3.56Å; Y20-L116 HydrophobicContact CE2-CD2 4.2Å; Y20-L116 HydrophobicContact CG-CD1 4.25Å; Y20-L116 HydrophobicContact CG-CD2 4.41Å |
| 21 | L | 88.9 | Confident | 84.8 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.7 | 166.7 | -168 | 69.3 | 0 | 0 | 0 | 108.4 | L7 L23 A48 V49 V54 F168 | L7-L21 HydrophobicContact CD1-CD1 3.58Å; L7-L21 HydrophobicContact CD1-CD2 4.46Å; L7-L21 HydrophobicContact CD1-CG 3.94Å; L21-L23 HydrophobicContact CD2-CD1 4.15Å; L21-L23 HydrophobicContact CD2-CD2 4.12Å; L21-L23 HydrophobicContact CD2-CG 4.3Å; L21-L23 HydrophobicContact CG-CD1 4.5Å; L21-L23 HydrophobicContact CG-CD2 4.22Å; L21-L23 HydrophobicContact CG-CG 4.23Å; L21-A48 WeakPolarHBondContact O-CA 3.49Å; L21-V49 HydrophobicContact CB-CB 4.43Å; L21-V49 PolarHBondContact N-O 2.85Å; L21-V49 PolarHBondContact O-N 3.4Å; L21-V54 HydrophobicContact CD2-CG2 4.5Å; L21-F168 HydrophobicContact CD1-CE1 4.47Å; L21-F168 HydrophobicContact CD1-CZ 4.21Å |
| 22 | L | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123 | 178.9 | -61.3 | -171.8 | 0 | 0 | 0 | 110 | V8 G9 L11 V46 S47 A48 L120 F123 | V8-L22 HydrophobicContact CB-CB 3.75Å; V8-L22 WeakPolarHBondContact CB-O 3.28Å; V8-L22 HydrophobicContact CG1-CB 4.31Å; V8-L22 HydrophobicContact CG1-CD1 4.48Å; V8-L22 HydrophobicContact CG2-CB 4.28Å; V8-L22 PolarHBondContact N-O 3.3Å; G9-L22 PolarHBondContact N-O 3.29Å; G9-L22 WeakPolarHBondContact O-CB 3.39Å; G9-L22 PolarHBondContact O-N 3.01Å; L11-L22 HydrophobicContact CB-CD1 3.83Å; L11-L22 HydrophobicContact CB-CD2 4.27Å; L11-L22 HydrophobicContact CB-CG 3.94Å; L11-L22 HydrophobicContact CD2-CD1 4.35Å; L11-L22 HydrophobicContact CD2-CD2 4.48Å; L22-V46 HydrophobicContact CB-CG1 3.96Å; L22-V46 HydrophobicContact CD2-CG1 4.33Å; L22-S47 WeakPolarHBondContact CA-O 3.39Å; L22-A48 HydrophobicContact CD2-CB 3.7Å; L22-L120 HydrophobicContact CD2-CD2 4.33Å; L22-F123 HydrophobicContact CD1-CE2 4.37Å |
| 23 | L | 90.6 | Very high | 85.7 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.5 | -173.4 | -63.8 | 165.6 | 0 | 0 | 0 | 110.1 | M1 V4 L7 L21 S25 V46 S47 V49 | M1-L23 HydrophobicContact CE-CD1 3.54Å; V4-L23 HydrophobicContact CG1-CB 4.17Å; V4-L23 HydrophobicContact CG1-CD2 4.03Å; L7-L23 HydrophobicContact CD1-CD2 3.54Å; L21-L23 HydrophobicContact CD2-CD1 4.15Å; L21-L23 HydrophobicContact CD2-CD2 4.12Å; L21-L23 HydrophobicContact CD2-CG 4.3Å; L21-L23 HydrophobicContact CG-CD1 4.5Å; L21-L23 HydrophobicContact CG-CD2 4.22Å; L21-L23 HydrophobicContact CG-CG 4.23Å; L23-S25 PolarHBondContact O-N 3.07Å; L23-V46 CarbonylContact O-C 3.55Å; L23-V46 WeakPolarHBondContact O-CA 3.22Å; L23-S47 PolarHBondContact N-O 3.04Å; L23-S47 PolarHBondContact O-N 2.9Å; L23-V49 HydrophobicContact CD1-CG2 4.05Å |
| 24 | V | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 109.4 | 171.3 | -176.4 | 0 | 0 | 0 | 0 | 108 | H5 G6 V8 Q27 V43 M190 | H5-V24 HydrophobicContact CB-CB 4.26Å; H5-V24 HydrophobicContact CB-CG1 4.05Å; H5-V24 PolarHBondContact N-O 3.01Å; G6-V24 PolarHBondContact O-N 3.05Å; V8-V24 HydrophobicContact CG2-CG2 3.72Å; V24-Q27 HydrophobicContact CG1-CB 4.25Å; V24-V43 HydrophobicContact CG1-CG1 4.48Å; V24-M190 HydrophobicContact CG2-CE 3.41Å; V24-M190 VanDerWaalsContact CG2-CE 3.41Å |
| 25 | S | 89.4 | Confident | 87.3 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -24.4 | 179.2 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | L23 R45 S47 | L23-S25 PolarHBondContact O-N 3.07Å; S25-R45 PolarHBondContact N-O 3.43Å; S25-R45 WeakPolarHBondContact OG-CG 3.42Å; S25-R45 PolarHBondContact OG-O 2.9Å; S25-S47 WeakPolarHBondContact CB-OG 3.02Å; S25-S47 PolarHBondContact OG-OG 2.8Å |
| 26 | E | 90.5 | Very high | 88.5 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 43% | 0.425 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.5 | 173.4 | -56.4 | 171.2 | -152.1 | 0 | 0 | 110 | E44 R45 | E26-E44 HydrophobicContact CB-CB 4.04Å; E26-E44 PolarHBondContact O-N 2.84Å; E26-E44 VanDerWaalsContact O-N 3.08Å; E26-R45 HydrophobicContact CB-CB 3.59Å; E26-R45 HydrophobicContact CG-CB 3.87Å; E26-R45 PolarHBondContact N-O 2.86Å; E26-R45 PolarHBondContact O-N 3.06Å; E26-R45 WeakPolarHBondContact OE1-CD 3.27Å; E26-R45 IonicContact OE1-CZ 2.86Å; E26-R45 IonicContact OE1-NE 3.57Å; E26-R45 IonicContact OE1-NH1 3.64Å; E26-R45 PolarHBondContact OE1-NH1 3.41Å |
| 27 | Q | 93 | Very high | 89.5 | Confident | 42 Ų | 42 | 47 Ų | 47 | 20% | 0.196 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 152.4 | 179.9 | 70.3 | -173.2 | 19.4 | 0 | 0 | 111.4 | H5 V24 Y41 K42 Y131 | H5-Q27 HydrophobicContact CB-CG 4.5Å; H5-Q27 VanDerWaalsContact CG-CD 3.41Å; H5-Q27 PolarHBondContact ND1-NE2 3.09Å; V24-Q27 HydrophobicContact CG1-CB 4.25Å; Q27-Y41 HydrophobicContact CG-CD1 3.91Å; Q27-Y41 HydrophobicContact CG-CG 4.37Å; Q27-K42 CarbonylContact C-O 3.6Å; Q27-K42 VanDerWaalsContact CA-O 3.29Å; Q27-K42 WeakPolarHBondContact CA-O 3.19Å; Q27-Y131 PolarHBondContact OE1-OH 2.86Å |
| 28 | E | 94.2 | Very high | 90.9 | Very high | 94 Ų | 94 | 40.3 Ų | 40.3 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.6 | 175.9 | -179.8 | -175.7 | -167.1 | 0 | 0 | 109.1 | V30 Y41 K42 E44 | E28-V30 PolarHBondContact O-N 3.09Å; E28-Y41 CarbonylContact O-C 3.53Å; E28-Y41 VanDerWaalsContact O-CA 3.28Å; E28-Y41 WeakPolarHBondContact O-CA 3.38Å; E28-K42 HydrophobicContact CB-CB 4.29Å; E28-K42 PolarHBondContact N-O 2.79Å; E28-K42 PolarHBondContact O-N 3.13Å; E28-K42 IonicContact OE2-NZ 3.95Å; E28-K42 PolarHBondContact OE2-NZ 3.24Å; E28-E44 HydrophobicContact CB-CG 3.79Å |
| 29 | F | 95.8 | Very high | 92 | Very high | 113 Ų | 113 | 40.6 Ų | 40.6 | 50% | 0.496 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 124.1 | 174.5 | 175 | -107.1 | 0 | 0 | 0 | 110.3 | G31 Q32 Y41 | F29-G31 VanDerWaalsContact CE2-O 3.27Å; F29-G31 WeakPolarHBondContact CE2-O 3.45Å; F29-G31 VanDerWaalsContact CZ-C 3.47Å; F29-Q32 HydrophobicContact CZ-CG 4.33Å; F29-Y41 HydrophobicContact CB-CD1 4.11Å; F29-Y41 HydrophobicContact CB-CE1 3.94Å; F29-Y41 HydrophobicContact CD2-CD1 4.28Å; F29-Y41 AromaticContact CD2-CE1 3.79Å; F29-Y41 HydrophobicContact CD2-CE1 3.79Å; F29-Y41 HydrophobicContact CG-CE1 4.35Å |
| 30 | V | 95.5 | Very high | 92.7 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 21% | 0.212 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -38 | -178.5 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | E28 I40 K42 Y130 V195 I197 | E28-V30 PolarHBondContact O-N 3.09Å; V30-I40 HydrophobicContact CB-CG2 4.36Å; V30-I40 PolarHBondContact N-O 3.03Å; V30-K42 HydrophobicContact CG2-CB 3.68Å; V30-Y130 HydrophobicContact CG2-CD1 4.15Å; V30-Y130 HydrophobicContact CG2-CE1 4.03Å; V30-V195 HydrophobicContact CG1-CB 4.44Å; V30-V195 HydrophobicContact CG1-CG1 4.08Å; V30-I197 HydrophobicContact CG1-CG1 4.46Å |
| 31 | G | 95.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | -171.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F29 I40 | F29-G31 VanDerWaalsContact CE2-O 3.27Å; F29-G31 WeakPolarHBondContact CE2-O 3.45Å; F29-G31 VanDerWaalsContact CZ-C 3.47Å; G31-I40 PolarHBondContact O-N 2.86Å |
| 32 | Q | 94.9 | Very high | 93.4 | Very high | 106 Ų | 106 | 42.5 Ų | 42.5 | 50% | 0.495 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.3 | 176.1 | -72.1 | 178.3 | -21.8 | 0 | 0 | 110.9 | F29 K37 N38 I197 | F29-Q32 HydrophobicContact CZ-CG 4.33Å; Q32-K37 WeakPolarHBondContact CG-O 3.49Å; Q32-N38 CarbonylContact C-O 3.6Å; Q32-N38 WeakPolarHBondContact CA-O 3.38Å; Q32-I197 WeakPolarHBondContact O-CD1 3.33Å |
| 33 | H | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -56.3 | 126 | 174.7 | -172.3 | -74.2 | 0 | 0 | 0 | 109.8 | L35 T36 K37 N38 I40 | H33-L35 VanDerWaalsContact C-N 3.31Å; H33-L35 PolarHBondContact ND1-N 3.15Å; H33-L35 PolarHBondContact O-N 2.74Å; H33-T36 WeakPolarHBondContact CB-OG1 3.43Å; H33-T36 PolarHBondContact ND1-N 3.46Å; H33-K37 VanDerWaalsContact O-CA 3.24Å; H33-K37 WeakPolarHBondContact O-CA 3.39Å; H33-K37 PolarHBondContact O-N 2.97Å; H33-N38 PolarHBondContact N-O 3Å; H33-I40 HydrophobicContact CB-CD1 3.71Å; H33-I40 HydrophobicContact CB-CG1 4.19Å | ||
| 34 | P | 92.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -39.1 | -170.4 | -28 | 35.4 | 0 | 0 | 0 | 114.4 | A206 V240 R242 V247 | P34-A206 HydrophobicContact CG-CB 3.76Å; P34-V240 HydrophobicContact CB-CG1 3.62Å; P34-V240 HydrophobicContact CG-CB 4.09Å; P34-V240 HydrophobicContact CG-CG1 3.74Å; P34-R242 HydrophobicContact CB-CB 3.97Å; P34-R242 WeakPolarHBondContact O-CD 3.36Å; P34-R242 PolarHBondContact O-NH1 2.85Å; P34-R242 VanDerWaalsContact O-NH1 3.09Å; P34-V247 HydrophobicContact CB-CG1 4.4Å |
| 35 | L | 92.7 | Very high | 93.6 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -68.9 | 176 | -174 | 73.9 | 0 | 0 | 0 | 112.9 | H33 K37 V141 L144 V145 V369 | H33-L35 VanDerWaalsContact C-N 3.31Å; H33-L35 PolarHBondContact ND1-N 3.15Å; H33-L35 PolarHBondContact O-N 2.74Å; L35-K37 VanDerWaalsContact C-N 3.29Å; L35-K37 PolarHBondContact O-N 3.33Å; L35-V141 HydrophobicContact CB-CG2 4.17Å; L35-V141 HydrophobicContact CD1-CG1 4.43Å; L35-V141 HydrophobicContact CD2-CG1 4.1Å; L35-V141 HydrophobicContact CD2-CG2 4.32Å; L35-L144 HydrophobicContact CD2-CB 4.3Å; L35-L144 HydrophobicContact CD2-CD1 4.31Å; L35-V145 HydrophobicContact CD1-CG1 4.38Å; L35-V145 HydrophobicContact CD2-CG1 4.05Å; L35-V369 HydrophobicContact CD1-CB 4.41Å; L35-V369 HydrophobicContact CD1-CG1 4.17Å; L35-V369 HydrophobicContact CD1-CG2 4.19Å |
| 36 | T | 90.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -12.9 | -171.2 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | H33 N38 A135 | H33-T36 WeakPolarHBondContact CB-OG1 3.43Å; H33-T36 PolarHBondContact ND1-N 3.46Å; T36-N38 PolarHBondContact O-N 3.45Å; T36-A135 HydrophobicContact CG2-CB 4.41Å |
| 37 | K | 91.7 | Very high | 93.7 | Very high | 113 Ų | 113 | 46.6 Ų | 46.6 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | trans | 62.1 | 4.3 | -176.8 | -48.2 | -176.8 | -171.6 | 176.9 | 0 | 115 | Q32 H33 L35 R242 | Q32-K37 WeakPolarHBondContact CG-O 3.49Å; H33-K37 VanDerWaalsContact O-CA 3.24Å; H33-K37 WeakPolarHBondContact O-CA 3.39Å; H33-K37 PolarHBondContact O-N 2.97Å; L35-K37 VanDerWaalsContact C-N 3.29Å; L35-K37 PolarHBondContact O-N 3.33Å; K37-R242 VanDerWaalsContact CE-NH2 3.34Å | ||
| 38 | N | 93.8 | Very high | 93.5 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 151 | 175.6 | -76.1 | -49 | 0 | 0 | 0 | 111.8 | Q32 H33 T36 C132 S133 A135 | Q32-N38 CarbonylContact C-O 3.6Å; Q32-N38 WeakPolarHBondContact CA-O 3.38Å; H33-N38 PolarHBondContact N-O 3Å; T36-N38 PolarHBondContact O-N 3.45Å; N38-C132 VanDerWaalsContact CB-SG 3.59Å; N38-S133 VanDerWaalsContact CB-O 3.24Å; N38-S133 WeakPolarHBondContact CB-O 3.38Å; N38-A135 HydrophobicContact CB-CB 4.05Å; N38-A135 WeakPolarHBondContact ND2-CB 3.29Å |
| 39 | S | 96.2 | Very high | 93.1 | Very high | 25 Ų | 25 | 42 Ų | 42 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 129.3 | -177.1 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | Y41 S133 | S39-Y41 VanDerWaalsContact CB-CE2 3.47Å; S39-Y41 WeakPolarHBondContact CB-OH 3.37Å; S39-S133 PolarHBondContact N-OG 3.13Å; S39-S133 PolarHBondContact O-N 2.83Å; S39-S133 PolarHBondContact O-OG 3.47Å; S39-S133 VanDerWaalsContact O-OG 3.1Å |
| 40 | I | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.3 | 172.4 | -63.8 | 162.5 | 0 | 0 | 0 | 109 | V30 G31 H33 C132 L137 V195 I197 | V30-I40 HydrophobicContact CB-CG2 4.36Å; V30-I40 PolarHBondContact N-O 3.03Å; G31-I40 PolarHBondContact O-N 2.86Å; H33-I40 HydrophobicContact CB-CD1 3.71Å; H33-I40 HydrophobicContact CB-CG1 4.19Å; I40-C132 HydrophobicContact CG1-CB 3.97Å; I40-L137 HydrophobicContact CD1-CD1 4.05Å; I40-L137 HydrophobicContact CG1-CD1 4.37Å; I40-L137 HydrophobicContact CG2-CD2 4.21Å; I40-V195 HydrophobicContact CD1-CG1 4.35Å; I40-V195 HydrophobicContact CG2-CB 4.39Å; I40-V195 HydrophobicContact CG2-CG1 4.05Å; I40-V195 HydrophobicContact CG2-CG2 4.42Å; I40-I197 HydrophobicContact CD1-CD1 3.81Å |
| 41 | Y | 96.4 | Very high | 91.5 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.2 | 179.3 | -61.2 | -82.8 | 0 | 0 | 0 | 110.9 | Q27 E28 F29 S39 Y130 Y131 | Q27-Y41 HydrophobicContact CG-CD1 3.91Å; Q27-Y41 HydrophobicContact CG-CG 4.37Å; E28-Y41 CarbonylContact O-C 3.53Å; E28-Y41 VanDerWaalsContact O-CA 3.28Å; E28-Y41 WeakPolarHBondContact O-CA 3.38Å; F29-Y41 HydrophobicContact CB-CD1 4.11Å; F29-Y41 HydrophobicContact CB-CE1 3.94Å; F29-Y41 HydrophobicContact CD2-CD1 4.28Å; F29-Y41 AromaticContact CD2-CE1 3.79Å; F29-Y41 HydrophobicContact CD2-CE1 3.79Å; F29-Y41 HydrophobicContact CG-CE1 4.35Å; S39-Y41 VanDerWaalsContact CB-CE2 3.47Å; S39-Y41 WeakPolarHBondContact CB-OH 3.37Å; Y41-Y130 VanDerWaalsContact O-CA 3.32Å; Y41-Y130 WeakPolarHBondContact O-CA 3.49Å; Y41-Y131 HydrophobicContact CD2-CE2 4.14Å; Y41-Y131 AromaticContact CD2-CZ 3.93Å; Y41-Y131 HydrophobicContact CG-CE1 4.45Å; Y41-Y131 PolarHBondContact N-O 3.41Å; Y41-Y131 PolarHBondContact O-N 3.37Å |
| 42 | K | 96.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 134.1 | 165.5 | 178 | 171.9 | 163.7 | -106.7 | 0 | 108.2 | Q27 E28 V30 E44 G127 Y130 | Q27-K42 CarbonylContact C-O 3.6Å; Q27-K42 VanDerWaalsContact CA-O 3.29Å; Q27-K42 WeakPolarHBondContact CA-O 3.19Å; E28-K42 HydrophobicContact CB-CB 4.29Å; E28-K42 PolarHBondContact N-O 2.79Å; E28-K42 PolarHBondContact O-N 3.13Å; E28-K42 IonicContact OE2-NZ 3.95Å; E28-K42 PolarHBondContact OE2-NZ 3.24Å; V30-K42 HydrophobicContact CG2-CB 3.68Å; K42-E44 WeakPolarHBondContact CE-OE1 3.36Å; K42-E44 IonicContact NZ-OE1 2.62Å; K42-E44 PolarHBondContact NZ-OE1 3.08Å; K42-E44 PolarHBondContact O-N 2.98Å; K42-G127 VanDerWaalsContact CE-CA 3.44Å; K42-G127 WeakPolarHBondContact CE-O 3.32Å; K42-Y130 HydrophobicContact CB-CD1 3.83Å; K42-Y130 HydrophobicContact CB-CE1 3.6Å; K42-Y130 HydrophobicContact CD-CE1 3.83Å; K42-Y130 HydrophobicContact CG-CD1 4.28Å; K42-Y130 HydrophobicContact CG-CE1 3.75Å |
| 43 | V | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115.3 | 179.2 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | V24 V46 F129 Y131 M190 | V24-V43 HydrophobicContact CG1-CG1 4.48Å; V43-V46 HydrophobicContact CG1-CG2 3.6Å; V43-F129 HydrophobicContact CB-CB 4.06Å; V43-F129 HydrophobicContact CG2-CB 4.05Å; V43-F129 PolarHBondContact N-O 3.34Å; V43-Y131 HydrophobicContact CG2-CD1 4Å; V43-Y131 HydrophobicContact CG2-CE1 4.42Å; V43-M190 HydrophobicContact CG1-CE 4.48Å; V43-M190 HydrophobicContact CG2-CE 3.61Å; V43-M190 HydrophobicContact CG2-SD 4.12Å |
| 44 | E | 90.9 | Very high | 87.1 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -36 | 177.3 | -69.9 | -58.5 | 120.4 | 0 | 0 | 111.2 | E26 E28 K42 | E26-E44 HydrophobicContact CB-CB 4.04Å; E26-E44 PolarHBondContact O-N 2.84Å; E26-E44 VanDerWaalsContact O-N 3.08Å; E28-E44 HydrophobicContact CB-CG 3.79Å; K42-E44 WeakPolarHBondContact CE-OE1 3.36Å; K42-E44 IonicContact NZ-OE1 2.62Å; K42-E44 PolarHBondContact NZ-OE1 3.08Å; K42-E44 PolarHBondContact O-N 2.98Å |
| 45 | R | 91 | Very high | 85.4 | Confident | 116 Ų | 116 | 54.4 Ų | 54.4 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 127.3 | -180 | -163 | 178.4 | 173.8 | 172.9 | 4 | 113 | S25 E26 N124 | S25-R45 PolarHBondContact N-O 3.43Å; S25-R45 WeakPolarHBondContact OG-CG 3.42Å; S25-R45 PolarHBondContact OG-O 2.9Å; E26-R45 HydrophobicContact CB-CB 3.59Å; E26-R45 HydrophobicContact CG-CB 3.87Å; E26-R45 PolarHBondContact N-O 2.86Å; E26-R45 PolarHBondContact O-N 3.06Å; E26-R45 WeakPolarHBondContact OE1-CD 3.27Å; E26-R45 IonicContact OE1-CZ 2.86Å; E26-R45 IonicContact OE1-NE 3.57Å; E26-R45 IonicContact OE1-NH1 3.64Å; E26-R45 PolarHBondContact OE1-NH1 3.41Å; R45-N124 WeakPolarHBondContact CA-OD1 3.39Å |
| 46 | V | 91.2 | Very high | 83.5 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.9 | 163.2 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | V8 L22 L23 V43 L120 F123 N124 | V8-V46 HydrophobicContact CG2-CG1 4.12Å; V8-V46 HydrophobicContact CG2-CG2 4Å; L22-V46 HydrophobicContact CB-CG1 3.96Å; L22-V46 HydrophobicContact CD2-CG1 4.33Å; L23-V46 CarbonylContact O-C 3.55Å; L23-V46 WeakPolarHBondContact O-CA 3.22Å; V43-V46 HydrophobicContact CG1-CG2 3.6Å; V46-L120 HydrophobicContact CB-CD2 4.37Å; V46-L120 HydrophobicContact CG1-CD2 4.05Å; V46-F123 HydrophobicContact CB-CB 3.91Å; V46-F123 HydrophobicContact CB-CD2 4.21Å; V46-F123 HydrophobicContact CB-CG 4.03Å; V46-F123 HydrophobicContact CG1-CD2 4.39Å; V46-F123 HydrophobicContact CG2-CB 3.67Å; V46-F123 HydrophobicContact CG2-CD1 3.8Å; V46-F123 HydrophobicContact CG2-CD2 4.16Å; V46-F123 HydrophobicContact CG2-CE1 4.48Å; V46-F123 HydrophobicContact CG2-CG 3.61Å; V46-N124 PolarHBondContact N-OD1 3.08Å; V46-N124 PolarHBondContact O-ND2 3.34Å |
| 47 | S | 90.2 | Very high | 81.6 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 140.4 | 173.7 | -65.3 | 0 | 0 | 0 | 0 | 110 | L22 L23 S25 | L22-S47 WeakPolarHBondContact CA-O 3.39Å; L23-S47 PolarHBondContact N-O 3.04Å; L23-S47 PolarHBondContact O-N 2.9Å; S25-S47 WeakPolarHBondContact CB-OG 3.02Å; S25-S47 PolarHBondContact OG-OG 2.8Å |
| 48 | A | 89.2 | Confident | 79.6 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y20 L21 L22 L116 L120 | Y20-A48 HydrophobicContact CD1-CB 4.16Å; Y20-A48 HydrophobicContact CG-CB 4.41Å; L21-A48 WeakPolarHBondContact O-CA 3.49Å; L22-A48 HydrophobicContact CD2-CB 3.7Å; A48-L116 HydrophobicContact CB-CD1 3.89Å; A48-L116 HydrophobicContact CB-CD2 4.38Å; A48-L120 HydrophobicContact CB-CD1 4.1Å; A48-L120 HydrophobicContact CB-CD2 4.2Å |
| 49 | V | 86 | Confident | 77.4 | Confident | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.1 | 174.2 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | M1 Y20 L21 L23 W51 C53 V54 | M1-V49 HydrophobicContact CE-CG2 3.28Å; M1-V49 HydrophobicContact SD-CG2 3.35Å; M1-V49 WeakPolarHBondContact SD-CG2 3.29Å; Y20-V49 CarbonylContact C-O 3.5Å; Y20-V49 WeakPolarHBondContact CA-O 3.24Å; L21-V49 HydrophobicContact CB-CB 4.43Å; L21-V49 PolarHBondContact N-O 2.85Å; L21-V49 PolarHBondContact O-N 3.4Å; L23-V49 HydrophobicContact CD1-CG2 4.05Å; V49-W51 PolarHBondContact O-N 3.28Å; V49-C53 HydrophobicContact CG1-CB 4.37Å; V49-V54 HydrophobicContact CG1-CG2 4.14Å |
| 50 | P | 82.9 | Confident | 75 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 136.3 | 175.2 | -20 | 31.2 | 0 | 0 | 0 | 111.3 | Y20 K52 C53 | Y20-P50 HydrophobicContact CD1-CB 4.39Å; Y20-P50 HydrophobicContact CD1-CG 4.17Å; Y20-P50 HydrophobicContact CE1-CB 4.4Å; Y20-P50 HydrophobicContact CE1-CG 4.06Å; P50-K52 PolarHBondContact O-N 3.09Å; P50-K52 VanDerWaalsContact O-N 3.1Å; P50-C53 WeakPolarHBondContact O-CB 3.47Å; P50-C53 PolarHBondContact O-N 3.23Å |
| 51 | W | 74.3 | Confident | 72.5 | Confident | 110 Ų | 110 | 71.5 Ų | 71.5 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -51.8 | -38.1 | 179.9 | -74.5 | -32.1 | 0 | 0 | 0 | 114.2 | C10 G19 V49 C53 V54 | C10-W51 HydrophobicContact CB-CZ2 3.87Å; G19-W51 VanDerWaalsContact CA-CE3 3.5Å; G19-W51 PolarHBondContact O-N 3.18Å; G19-W51 VanDerWaalsContact O-N 3.12Å; V49-W51 PolarHBondContact O-N 3.28Å; W51-C53 PolarHBondContact O-N 3.09Å; W51-V54 VanDerWaalsContact O-CB 3.27Å; W51-V54 WeakPolarHBondContact O-CB 3.46Å; W51-V54 WeakPolarHBondContact O-CG2 3.5Å; W51-V54 PolarHBondContact O-N 3.1Å |
| 52 | K | 70.3 | Confident | 70.1 | Confident | 159 Ų | 159 | 76.3 Ų | 76.3 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.5 | -19.5 | 179.7 | -62.2 | -172.2 | 178.1 | -168.4 | 0 | 114.1 | P50 | P50-K52 PolarHBondContact O-N 3.09Å; P50-K52 VanDerWaalsContact O-N 3.1Å |
| 53 | C | 63.4 | Low | 67.4 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -94.1 | -11.6 | 177.7 | -62.9 | 0 | 0 | 0 | 0 | 112 | V49 P50 W51 D55 K56 T57 | V49-C53 HydrophobicContact CG1-CB 4.37Å; P50-C53 WeakPolarHBondContact O-CB 3.47Å; P50-C53 PolarHBondContact O-N 3.23Å; W51-C53 PolarHBondContact O-N 3.09Å; C53-D55 PolarHBondContact O-N 2.87Å; C53-K56 PolarHBondContact O-N 3.1Å; C53-T57 WeakPolarHBondContact O-CB 3.39Å; C53-T57 PolarHBondContact O-N 3.1Å; C53-T57 PolarHBondContact O-OG1 2.86Å |
| 54 | V | 59.1 | Low | 64.7 | Low | 26 Ų | 26 | 85.3 Ų | 85.3 | 16% | 0.158 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | -170.5 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | L21 V49 W51 K56 T57 L58 | L21-V54 HydrophobicContact CD2-CG2 4.5Å; V49-V54 HydrophobicContact CG1-CG2 4.14Å; W51-V54 VanDerWaalsContact O-CB 3.27Å; W51-V54 WeakPolarHBondContact O-CB 3.46Å; W51-V54 WeakPolarHBondContact O-CG2 3.5Å; W51-V54 PolarHBondContact O-N 3.1Å; V54-K56 VanDerWaalsContact C-N 3.35Å; V54-K56 PolarHBondContact O-N 2.78Å; V54-T57 PolarHBondContact O-N 3.34Å; V54-T57 VanDerWaalsContact O-N 3.1Å; V54-L58 HydrophobicContact CG1-CD1 3.34Å; V54-L58 HydrophobicContact CG1-CG 3.81Å; V54-L58 VanDerWaalsContact O-CB 3.3Å; V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.11Å |
| 55 | D | 55.3 | Low | 62.8 | Low | 129 Ų | 129 | 88.9 Ų | 88.9 | 69% | 0.69 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -58.7 | -43 | 176 | -71.7 | -18.6 | 0 | 0 | 0 | 113 | C53 T57 H59 | C53-D55 PolarHBondContact O-N 2.87Å; D55-T57 VanDerWaalsContact C-N 3.33Å; D55-T57 PolarHBondContact O-N 3.01Å; D55-H59 PolarHBondContact O-CD2 2.85Å |
| 56 | K | 53.2 | Low | 60.8 | Low | 176 Ų | 176 | 88.4 Ų | 88.4 | 77% | 0.765 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72.5 | -27.3 | 178.3 | -66.6 | -173.4 | 179.4 | -175.6 | 0 | 113 | C53 V54 | C53-K56 PolarHBondContact O-N 3.1Å; V54-K56 VanDerWaalsContact C-N 3.35Å; V54-K56 PolarHBondContact O-N 2.78Å |
| 57 | T | 50.5 | Low | 58.9 | Low | 38 Ų | 38 | 92.7 Ų | 92.7 | 23% | 0.233 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -91.1 | -30.6 | -175.1 | -44.1 | 0 | 0 | 0 | 0 | 111.6 | C53 V54 D55 L60 L61 | C53-T57 WeakPolarHBondContact O-CB 3.39Å; C53-T57 PolarHBondContact O-N 3.1Å; C53-T57 PolarHBondContact O-OG1 2.86Å; V54-T57 PolarHBondContact O-N 3.34Å; V54-T57 VanDerWaalsContact O-N 3.1Å; D55-T57 VanDerWaalsContact C-N 3.33Å; D55-T57 PolarHBondContact O-N 3.01Å; T57-L60 WeakPolarHBondContact O-CB 3.44Å; T57-L60 PolarHBondContact O-N 2.85Å; T57-L60 VanDerWaalsContact O-N 3.08Å; T57-L61 PolarHBondContact O-N 3.21Å |
| 58 | L | 49.2 | Very low | 57.1 | Low | 82 Ų | 82 | 96.9 Ų | 96.9 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 178.8 | -86.9 | 167.8 | 0 | 0 | 0 | 112.4 | V54 L60 L61 E62 | V54-L58 HydrophobicContact CG1-CD1 3.34Å; V54-L58 HydrophobicContact CG1-CG 3.81Å; V54-L58 VanDerWaalsContact O-CB 3.3Å; V54-L58 WeakPolarHBondContact O-CB 3.33Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.11Å; L58-L60 PolarHBondContact O-N 2.96Å; L58-L61 HydrophobicContact CD2-CD1 4.16Å; L58-L61 CarbonylContact O-C 3.55Å; L58-L61 WeakPolarHBondContact O-CA 3.45Å; L58-L61 PolarHBondContact O-N 3.19Å; L58-E62 PolarHBondContact O-N 3.17Å |
| 59 | H | 48.5 | Very low | 55.4 | Low | 138 Ų | 138 | 96.1 Ų | 96.1 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.5 | -22.7 | 172.4 | -78.5 | -53.8 | 0 | 0 | 0 | 113.4 | D55 E62 | D55-H59 PolarHBondContact O-CD2 2.85Å; H59-E62 IonicContact ND1-OE2 3.39Å; H59-E62 PolarHBondContact ND1-OE2 3.41Å |
| 60 | L | 44.8 | Very low | 54 | Low | 128 Ų | 128 | 105.3 Ų | 105.3 | 67% | 0.67 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -84.9 | -27.7 | 172.3 | -63.9 | 166.8 | 0 | 0 | 0 | 112.4 | T57 L58 S63 | T57-L60 WeakPolarHBondContact O-CB 3.44Å; T57-L60 PolarHBondContact O-N 2.85Å; T57-L60 VanDerWaalsContact O-N 3.08Å; L58-L60 PolarHBondContact O-N 2.96Å; L60-S63 PolarHBondContact O-OG 2.81Å |
| 61 | L | 45 | Very low | 52.4 | Low | 78 Ų | 78 | 106.2 Ų | 106.2 | 41% | 0.408 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -80.8 | -18.3 | 177.8 | -69.9 | 167.9 | 0 | 0 | 0 | 113.3 | V4 T57 L58 S63 | V4-L61 HydrophobicContact CG2-CD2 4.32Å; T57-L61 PolarHBondContact O-N 3.21Å; L58-L61 HydrophobicContact CD2-CD1 4.16Å; L58-L61 CarbonylContact O-C 3.55Å; L58-L61 WeakPolarHBondContact O-CA 3.45Å; L58-L61 PolarHBondContact O-N 3.19Å; L61-S63 PolarHBondContact O-N 3.31Å; L61-S63 VanDerWaalsContact O-N 3.13Å |
| 62 | E | 46.4 | Very low | 51.6 | Low | 151 Ų | 151 | 104.8 Ų | 104.8 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.3 | 170.3 | -74.1 | 179.4 | 150.5 | 0 | 0 | 112.1 | L58 H59 N64 | L58-E62 PolarHBondContact O-N 3.17Å; H59-E62 IonicContact ND1-OE2 3.39Å; H59-E62 PolarHBondContact ND1-OE2 3.41Å; E62-N64 PolarHBondContact O-N 2.77Å; E62-N64 VanDerWaalsContact O-N 3.16Å |
| 63 | S | 40 | Very low | 50.6 | Low | 85 Ų | 85 | 104.4 Ų | 104.4 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -79.8 | 93.6 | 167.3 | 68.9 | 0 | 0 | 0 | 0 | 111.5 | L60 L61 | L60-S63 PolarHBondContact O-OG 2.81Å; L61-S63 PolarHBondContact O-N 3.31Å; L61-S63 VanDerWaalsContact O-N 3.13Å |
| 64 | N | 38.4 | Very low | 49.7 | Very low | 144 Ų | 144 | 110.6 Ų | 110.6 | 77% | 0.77 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 80.3 | 121.5 | 159.3 | -57.8 | -24.1 | 0 | 0 | 0 | 118.9 | E62 | E62-N64 PolarHBondContact O-N 2.77Å; E62-N64 VanDerWaalsContact O-N 3.16Å |
| 65 | E | 51.1 | Low | 48.5 | Very low | 141 Ų | 141 | 118 Ų | 118 | 66% | 0.659 | 58% | 0.584 | S | S | * | * | trans | 107.6 | -14 | 148 | -59.8 | -171.8 | 178.9 | 0 | 0 | 121.2 | R3 P67 | R3-E65 IonicContact CZ-OE2 3.28Å; R3-E65 IonicContact NE-OE2 3.9Å; R3-E65 IonicContact NH2-OE2 2.86Å; R3-E65 PolarHBondContact NH2-OE2 3.08Å; E65-P67 VanDerWaalsContact O-CD 3.29Å; E65-P67 WeakPolarHBondContact O-CD 3.46Å | ||
| 66 | L | 49 | Very low | 47.5 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 56% | 0.555 | 59% | 0.59 | S | S | * | * | trans | -94.8 | 109.5 | 173.2 | -73.5 | 170.2 | 0 | 0 | 0 | 111.5 | W186 | L66-W186 HydrophobicContact CB-CH2 4.42Å; L66-W186 HydrophobicContact CD1-CZ3 4.48Å | ||
| 67 | P | 50 | Low | 46.6 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 60% | 0.597 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 141.7 | 177.7 | 26.7 | -32.8 | 0 | 0 | 0 | 110.5 | E65 C69 W186 | E65-P67 VanDerWaalsContact O-CD 3.29Å; E65-P67 WeakPolarHBondContact O-CD 3.46Å; P67-C69 PolarHBondContact O-N 3.38Å; P67-W186 WeakPolarHBondContact O-CZ2 3.49Å |
| 68 | T | 53 | Low | 45.5 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135 | 179.4 | 44.2 | 0 | 0 | 0 | 0 | 111.7 | R70 | T68-R70 PolarHBondContact O-N 2.94Š|
| 69 | C | 52.9 | Low | 44.6 | Very low | 11 Ų | 11 | 124.1 Ų | 124.1 | 7% | 0.074 | 63% | 0.633 | C | S | . | * | P | Polyproline II helix | trans | -61.2 | 127.1 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 109.2 | P67 F71 H72 Q184 W186 | P67-C69 PolarHBondContact O-N 3.38Å; C69-F71 PolarHBondContact O-N 3.47Å; C69-F71 VanDerWaalsContact O-N 3.13Å; C69-H72 HydrophobicContact CB-CB 4.24Å; C69-H72 PolarHBondContact O-N 2.94Å; C69-Q184 PolarHBondContact SG-OE1 3.04Å; C69-W186 HydrophobicContact CB-CZ2 4.02Å |
| 70 | R | 55.9 | Low | 44 | Very low | 206 Ų | 206 | 123 Ų | 123 | 78% | 0.777 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -59.7 | -30 | -173.4 | -67.4 | -176.7 | -178.9 | -179 | 0.8 | 112.6 | T68 | T68-R70 PolarHBondContact O-N 2.94Š|
| 71 | F | 50.9 | Low | 43.3 | Very low | 65 Ų | 65 | 121.6 Ų | 121.6 | 29% | 0.285 | 65% | 0.645 | S | S | . | * | G | 310 helix | trans | -81.8 | -19 | -180 | -61.5 | -79.2 | 0 | 0 | 0 | 113.4 | C69 Q173 C176 D180 | C69-F71 PolarHBondContact O-N 3.47Å; C69-F71 VanDerWaalsContact O-N 3.13Å; F71-Q173 VanDerWaalsContact O-CD 3.24Å; F71-Q173 PolarHBondContact O-NE2 2.79Å; F71-Q173 PolarHBondContact O-OE1 3.1Å; F71-C176 HydrophobicContact CB-CB 4.42Å; F71-C176 HydrophobicContact CD2-CB 4.31Å; F71-C176 HydrophobicContact CG-CB 4.25Å; F71-D180 HydrophobicContact CE2-CB 4.09Å |
| 72 | H | 56.3 | Low | 42.6 | Very low | 80 Ų | 80 | 127.7 Ų | 127.7 | 37% | 0.37 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -103.4 | 15.8 | -175.7 | -67.7 | 129.4 | 0 | 0 | 0 | 114.4 | C69 K74 M172 | C69-H72 HydrophobicContact CB-CB 4.24Å; C69-H72 PolarHBondContact O-N 2.94Å; H72-K74 PolarHBondContact O-N 3.19Å; H72-M172 PolarHBondContact CE1-SD 2.96Å |
| 73 | Q | 49.1 | Very low | 41.8 | Very low | 151 Ų | 151 | 124 Ų | 124 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | trans | -64.7 | 86 | 164.6 | -71.2 | -175.1 | -2.4 | 0 | 0 | 109.4 | ||||
| 74 | K | 45.2 | Very low | 41.3 | Very low | 186 Ų | 186 | 127.5 Ų | 127.5 | 81% | 0.809 | 68% | 0.676 | S | S | * | * | trans | -81.8 | 131.7 | 166.5 | -83.4 | -173.5 | 175.9 | 177.8 | 0 | 109 | H72 | H72-K74 PolarHBondContact O-N 3.19Š| ||
| 75 | Q | 33.7 | Very low | 40.9 | Very low | 180 Ų | 180 | 125.3 Ų | 125.3 | 84% | 0.841 | 68% | 0.678 | S | S | * | * | trans | -41.2 | 147.2 | 171.4 | -75.5 | -176.2 | -21.4 | 0 | 0 | 112.4 | S77 | Q75-S77 PolarHBondContact O-N 3Š| ||
| 76 | P | 34.4 | Very low | 39.9 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -57.4 | 111 | -171.1 | 23.3 | -32.6 | 0 | 0 | 0 | 110.3 | R78 | P76-R78 PolarHBondContact O-N 2.89Å; P76-R78 VanDerWaalsContact O-N 3.08Å | ||
| 77 | S | 33.9 | Very low | 39 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | trans | -61.8 | 110.3 | 169.8 | 50.3 | 0 | 0 | 0 | 0 | 108.3 | Q75 G79 | Q75-S77 PolarHBondContact O-N 3Å; S77-G79 PolarHBondContact O-N 3.45Å | ||
| 78 | R | 28.5 | Very low | 38 | Very low | 259 Ų | 259 | 130.4 Ų | 130.4 | 98% | 0.977 | 71% | 0.708 | S | S | * | * | trans | -62 | 85.7 | 163.1 | -74.6 | -179.7 | 173.6 | 177.5 | -1.9 | 108.4 | P76 | P76-R78 PolarHBondContact O-N 2.89Å; P76-R78 VanDerWaalsContact O-N 3.08Å | ||
| 79 | G | 29.8 | Very low | 36.9 | Very low | 55 Ų | 55 | 131.5 Ų | 131.5 | 57% | 0.567 | 71% | 0.709 | S | S | * | * | trans | -106.5 | 139.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | S77 | S77-G79 PolarHBondContact O-N 3.45Š| ||
| 80 | P | 35.1 | Very low | 35.7 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | trans | -70 | 142.7 | -167.5 | 30.3 | -33.3 | 0 | 0 | 0 | 110.9 | F82 | P80-F82 PolarHBondContact O-N 3.24Š| ||
| 81 | A | 30.2 | Very low | 34.6 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -51.1 | 105.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A83 | A81-A83 PolarHBondContact O-N 2.92Å; A81-A83 VanDerWaalsContact O-N 3.08Å | ||
| 82 | F | 31.2 | Very low | 33.5 | Very low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -79.1 | 80.3 | 156.1 | -82.4 | -82.7 | 0 | 0 | 0 | 107.9 | P80 | P80-F82 PolarHBondContact O-N 3.24Š| ||
| 83 | A | 29.5 | Very low | 32.3 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 60% | 0.603 | 79% | 0.787 | S | S | * | * | trans | -67.1 | 142.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | A81 | A81-A83 PolarHBondContact O-N 2.92Å; A81-A83 VanDerWaalsContact O-N 3.08Å | ||
| 84 | N | 29.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | 81.6 | 71.9 | 162.7 | -52.6 | -19.3 | 0 | 0 | 0 | 117.2 | ||||
| 85 | A | 29.5 | Very low | 30.8 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -129 | 44.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A87 | A85-A87 VanDerWaalsContact C-N 3.28Š| ||
| 86 | H | 29.6 | Very low | 30.7 | Very low | 175 Ų | 175 | 139 Ų | 139 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -90.5 | 13.8 | 167.5 | -107.4 | -67.3 | 0 | 0 | 0 | 113.4 | ||||
| 87 | A | 30.5 | Very low | 30.6 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -122.2 | 63.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | A85 | A85-A87 VanDerWaalsContact C-N 3.28Š|
| 88 | M | 29.2 | Very low | 30.4 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -164.6 | 51.2 | 154.3 | -81.8 | -138.3 | -133.7 | 0 | 0 | 109.5 | ||||
| 89 | I | 29 | Very low | 30.5 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | -99.1 | 124.2 | 166.4 | -57.8 | 176.4 | 0 | 0 | 0 | 105.4 | ||||
| 90 | E | 28.5 | Very low | 30.5 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 89.8 | 88.7 | -168.1 | -57 | -164.8 | 146.6 | 0 | 0 | 113.8 | ||
| 91 | P | 31.8 | Very low | 30 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | -147 | 86.2 | 68 | 34.9 | -13.2 | 0 | 0 | 0 | 113.2 | |||||
| 92 | F | 29 | Very low | 29.8 | Very low | 185 Ų | 185 | 142 Ų | 142 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -102.2 | 6.2 | 169.5 | -97.4 | -79.5 | 0 | 0 | 0 | 114.5 | ||||
| 93 | K | 31.3 | Very low | 29.5 | Very low | 200 Ų | 200 | 141.2 Ų | 141.2 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -87.4 | -3.5 | 174.3 | -78.7 | -174.4 | 176.7 | 175.4 | 0 | 115.3 | ||
| 94 | H | 31.5 | Very low | 29.2 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -110.9 | 8.3 | -179.1 | -88.2 | -64.8 | 0 | 0 | 0 | 116.7 | ||
| 95 | V | 29.8 | Very low | 29.3 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 56% | 0.564 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -102.3 | -4.4 | -176 | -175.2 | 0 | 0 | 0 | 0 | 114.5 | S97 | V95-S97 PolarHBondContact O-N 3.22Š|
| 96 | S | 33 | Very low | 29.2 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -8 | 178.5 | 73.3 | 0 | 0 | 0 | 0 | 115.4 | ||
| 97 | S | 31.9 | Very low | 29.1 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | 3.6 | -175.7 | 64 | 0 | 0 | 0 | 0 | 116.4 | V95 | V95-S97 PolarHBondContact O-N 3.22Š|
| 98 | R | 30.2 | Very low | 29.1 | Very low | 225 Ų | 225 | 147.5 Ų | 147.5 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -123.6 | 8.5 | 176.8 | -95.7 | -177.9 | 178.8 | 179.7 | -0.1 | 116.8 | T100 | R98-T100 VanDerWaalsContact C-N 3.27Å; R98-T100 PolarHBondContact O-N 2.48Å |
| 99 | A | 30.1 | Very low | 29.4 | Very low | 81 Ų | 81 | 144.4 Ų | 144.4 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -80.9 | 5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 100 | T | 29.3 | Very low | 30.4 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -115.2 | 66.4 | 170.7 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | R98 | R98-T100 VanDerWaalsContact C-N 3.27Å; R98-T100 PolarHBondContact O-N 2.48Å |
| 101 | K | 25.8 | Very low | 31.6 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -167.6 | 133.2 | 157.7 | -102.5 | 154.2 | -166.4 | -168.8 | 0 | 109.5 | ||
| 102 | S | 24.4 | Very low | 32.8 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | trans | 63.7 | 81.7 | 170.2 | 68.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 103 | F | 24.7 | Very low | 34.6 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 83% | 0.833 | 69% | 0.689 | S | S | * | * | trans | -88.8 | 123.1 | 144.2 | -79.1 | -77.8 | 0 | 0 | 0 | 108.2 | ||||
| 104 | P | 23.7 | Very low | 36.8 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | trans | -70.8 | 145.3 | 177.8 | 28.2 | -31 | 0 | 0 | 0 | 110.3 | F106 | P104-F106 PolarHBondContact O-N 3.29Š| ||
| 105 | P | 32.9 | Very low | 39.2 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 84% | 0.838 | 64% | 0.635 | S | S | * | * | trans | -80.3 | 71.3 | -171.5 | 34.5 | -33.7 | 0 | 0 | 0 | 109.7 | V107 | P105-V107 PolarHBondContact O-N 2.92Š| ||
| 106 | F | 27.9 | Very low | 41.9 | Very low | 182 Ų | 182 | 114 Ų | 114 | 80% | 0.798 | 61% | 0.613 | S | S | * | * | trans | -71.3 | 115.1 | 161.4 | -161.4 | -93.5 | 0 | 0 | 0 | 106.7 | P104 R108 | P104-F106 PolarHBondContact O-N 3.29Å; F106-R108 PolarHBondContact O-N 2.92Å | ||
| 107 | V | 26.3 | Very low | 44.4 | Very low | 130 Ų | 130 | 113.1 Ų | 113.1 | 79% | 0.788 | 60% | 0.595 | S | S | * | * | trans | -51.1 | 83.7 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | P105 N109 | P105-V107 PolarHBondContact O-N 2.92Å; V107-N109 PolarHBondContact O-N 3.31Å | ||
| 108 | R | 31.5 | Very low | 46.8 | Very low | 180 Ų | 180 | 109.2 Ų | 109.2 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | trans | -71.5 | 118 | 172.8 | -78 | -176 | 178.1 | 177.3 | -0.3 | 105.9 | F106 P110 | F106-R108 PolarHBondContact O-N 2.92Å; R108-P110 WeakPolarHBondContact O-CA 3.12Å; R108-P110 VanDerWaalsContact O-CD 3.25Å; R108-P110 WeakPolarHBondContact O-CD 3.35Å | ||
| 109 | N | 35.3 | Very low | 49.6 | Very low | 115 Ų | 115 | 98.5 Ų | 98.5 | 62% | 0.615 | 53% | 0.527 | S | S | * | . | trans | -36.2 | 101.6 | 174.3 | -161.1 | -8.3 | 0 | 0 | 0 | 110.5 | V107 T111 R112 | V107-N109 PolarHBondContact O-N 3.31Å; N109-T111 PolarHBondContact O-N 2.89Å; N109-R112 PolarHBondContact O-N 3.17Å; N109-R112 VanDerWaalsContact O-N 3.13Å | ||
| 110 | P | 48.7 | Very low | 52.4 | Low | 95 Ų | 95 | 96.1 Ų | 96.1 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.6 | -29.9 | -161.9 | 15.1 | -27.7 | 0 | 0 | 0 | 112.4 | R108 R112 Q114 | R108-P110 WeakPolarHBondContact O-CA 3.12Å; R108-P110 VanDerWaalsContact O-CD 3.25Å; R108-P110 WeakPolarHBondContact O-CD 3.35Å; P110-R112 PolarHBondContact O-N 3.42Å; P110-Q114 WeakPolarHBondContact O-CB 3.4Å; P110-Q114 PolarHBondContact O-N 3.28Å |
| 111 | T | 55 | Low | 55.1 | Low | 78 Ų | 78 | 95.4 Ų | 95.4 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | -178.9 | -19.9 | 0 | 0 | 0 | 0 | 113.6 | N109 Q114 I115 | N109-T111 PolarHBondContact O-N 2.89Å; T111-Q114 PolarHBondContact O-N 3.48Å; T111-I115 PolarHBondContact O-N 2.65Å |
| 112 | R | 57.1 | Low | 58 | Low | 63 Ų | 63 | 87.4 Ų | 87.4 | 24% | 0.238 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -70.9 | -46.6 | -173.7 | 179.9 | -179.2 | 171.3 | 179.9 | 1.3 | 112.2 | A16 S18 Y20 N109 P110 Q114 | A16-R112 HydrophobicContact CB-CG 4.47Å; A16-R112 VanDerWaalsContact CB-CZ 3.44Å; A16-R112 VanDerWaalsContact CB-NE 3.31Å; S18-R112 PolarHBondContact O-NH2 2.82Å; S18-R112 PolarHBondContact OG-NH2 3.14Å; Y20-R112 PolarHBondContact OH-NE 2.95Å; Y20-R112 PolarHBondContact OH-NH2 3.08Å; N109-R112 PolarHBondContact O-N 3.17Å; N109-R112 VanDerWaalsContact O-N 3.13Å; P110-R112 PolarHBondContact O-N 3.42Å; R112-Q114 PolarHBondContact O-N 3.34Å |
| 113 | N | 66.9 | Low | 61.1 | Low | 53 Ų | 53 | 82.1 Ų | 82.1 | 28% | 0.283 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.3 | -32 | 178.5 | -73.6 | -12.3 | 0 | 0 | 0 | 110.4 | L116 E117 | N113-L116 PolarHBondContact O-N 2.85Å; N113-E117 WeakPolarHBondContact O-CB 3.3Å; N113-E117 VanDerWaalsContact O-CG 3.31Å; N113-E117 WeakPolarHBondContact O-CG 3.49Å; N113-E117 PolarHBondContact O-N 3.12Å |
| 114 | Q | 77.5 | Confident | 64.1 | Low | 69 Ų | 69 | 75.7 Ų | 75.7 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | -178.5 | -161.3 | 61.5 | 57.1 | 0 | 0 | 113 | P110 T111 R112 L116 E117 D118 | P110-Q114 WeakPolarHBondContact O-CB 3.4Å; P110-Q114 PolarHBondContact O-N 3.28Å; T111-Q114 PolarHBondContact O-N 3.48Å; R112-Q114 PolarHBondContact O-N 3.34Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 3.19Å; Q114-E117 PolarHBondContact O-N 2.88Å; Q114-D118 PolarHBondContact NE2-OD1 3.21Å; Q114-D118 VanDerWaalsContact NE2-OD1 3.09Å; Q114-D118 WeakPolarHBondContact O-CB 3.42Å; Q114-D118 PolarHBondContact O-N 3.06Å |
| 115 | I | 81.5 | Confident | 66.5 | Low | 34 Ų | 34 | 74.5 Ų | 74.5 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 178.1 | -63.4 | 171.6 | 0 | 0 | 0 | 110.7 | I13 T111 E117 D118 V119 C493 | I13-I115 HydrophobicContact CG2-CB 4.31Å; I13-I115 HydrophobicContact CG2-CD1 4.18Å; I13-I115 HydrophobicContact CG2-CG2 4.3Å; T111-I115 PolarHBondContact O-N 2.65Å; I115-E117 VanDerWaalsContact C-N 3.34Å; I115-E117 PolarHBondContact O-N 3.3Å; I115-D118 PolarHBondContact O-N 2.92Å; I115-V119 HydrophobicContact CG2-CG2 4.31Å; I115-V119 VanDerWaalsContact O-CG2 3.31Å; I115-V119 WeakPolarHBondContact O-CG2 3.35Å; I115-V119 PolarHBondContact O-N 2.57Å; I115-C493 HydrophobicContact CG2-CB 4.12Å |
| 116 | L | 85.3 | Confident | 68.2 | Low | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 176 | -179 | 61.3 | 0 | 0 | 0 | 111 | L11 I13 Y20 A48 N113 Q114 D118 V119 L120 | L11-L116 HydrophobicContact CD2-CD1 3.86Å; I13-L116 HydrophobicContact CD1-CB 3.63Å; I13-L116 HydrophobicContact CD1-CD1 4.3Å; I13-L116 HydrophobicContact CD1-CG 4.48Å; Y20-L116 HydrophobicContact CD1-CD2 3.95Å; Y20-L116 HydrophobicContact CD2-CD1 4.26Å; Y20-L116 HydrophobicContact CE1-CD2 3.56Å; Y20-L116 HydrophobicContact CE2-CD2 4.2Å; Y20-L116 HydrophobicContact CG-CD1 4.25Å; Y20-L116 HydrophobicContact CG-CD2 4.41Å; A48-L116 HydrophobicContact CB-CD1 3.89Å; A48-L116 HydrophobicContact CB-CD2 4.38Å; N113-L116 PolarHBondContact O-N 2.85Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 3.19Å; L116-D118 VanDerWaalsContact C-N 3.31Å; L116-D118 PolarHBondContact O-N 3.03Å; L116-V119 PolarHBondContact O-N 2.97Å; L116-L120 HydrophobicContact CD1-CD1 4.25Å; L116-L120 HydrophobicContact CD1-CG 4.28Å; L116-L120 HydrophobicContact CG-CD1 4.05Å; L116-L120 HydrophobicContact CG-CG 4.45Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.39Å; L116-L120 PolarHBondContact O-N 2.92Å |
| 117 | E | 85.5 | Confident | 70.8 | Confident | 102 Ų | 102 | 62.9 Ų | 62.9 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 178.6 | -76.4 | 179.6 | -174.8 | 0 | 0 | 112 | N113 Q114 I115 L120 R121 | N113-E117 WeakPolarHBondContact O-CB 3.3Å; N113-E117 VanDerWaalsContact O-CG 3.31Å; N113-E117 WeakPolarHBondContact O-CG 3.49Å; N113-E117 PolarHBondContact O-N 3.12Å; Q114-E117 PolarHBondContact O-N 2.88Å; I115-E117 VanDerWaalsContact C-N 3.34Å; I115-E117 PolarHBondContact O-N 3.3Å; E117-L120 PolarHBondContact O-N 3.21Å; E117-R121 VanDerWaalsContact O-CB 3.28Å; E117-R121 WeakPolarHBondContact O-CB 3.22Å; E117-R121 PolarHBondContact O-N 3.24Å |
| 118 | D | 84 | Confident | 73.9 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.064 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71 | -39.2 | -180 | -64.4 | -17.5 | 0 | 0 | 0 | 111.4 | Q114 I115 L116 R121 M122 S490 | Q114-D118 PolarHBondContact NE2-OD1 3.21Å; Q114-D118 VanDerWaalsContact NE2-OD1 3.09Å; Q114-D118 WeakPolarHBondContact O-CB 3.42Å; Q114-D118 PolarHBondContact O-N 3.06Å; I115-D118 PolarHBondContact O-N 2.92Å; L116-D118 VanDerWaalsContact C-N 3.31Å; L116-D118 PolarHBondContact O-N 3.03Å; D118-R121 WeakPolarHBondContact O-CB 3.35Å; D118-R121 PolarHBondContact O-N 3.34Å; D118-R121 IonicContact OD1-CZ 2.67Å; D118-R121 VanDerWaalsContact OD1-CZ 3.24Å; D118-R121 IonicContact OD1-NH1 3.09Å; D118-R121 PolarHBondContact OD1-NH1 2.88Å; D118-R121 IonicContact OD1-NH2 3.26Å; D118-R121 PolarHBondContact OD1-NH2 2.76Å; D118-R121 VanDerWaalsContact OD1-NH2 3.08Å; D118-M122 WeakPolarHBondContact O-CG 3.37Å; D118-M122 PolarHBondContact O-N 2.62Å; D118-S490 WeakPolarHBondContact CB-OG 3.27Å |
| 119 | V | 88.5 | Confident | 77 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 171 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L11 I115 L116 R121 M122 F123 C493 | L11-V119 HydrophobicContact CD2-CB 4.34Å; L11-V119 HydrophobicContact CD2-CG1 3.95Å; I115-V119 HydrophobicContact CG2-CG2 4.31Å; I115-V119 VanDerWaalsContact O-CG2 3.31Å; I115-V119 WeakPolarHBondContact O-CG2 3.35Å; I115-V119 PolarHBondContact O-N 2.57Å; L116-V119 PolarHBondContact O-N 2.97Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 2.93Å; V119-M122 WeakPolarHBondContact O-CB 3.46Å; V119-M122 PolarHBondContact O-N 3.4Å; V119-F123 HydrophobicContact CG1-CD2 4.37Å; V119-F123 HydrophobicContact CG1-CE2 3.98Å; V119-F123 VanDerWaalsContact O-CD2 3.29Å; V119-F123 WeakPolarHBondContact O-CD2 3.4Å; V119-F123 PolarHBondContact O-N 3.48Å; V119-C493 HydrophobicContact CG2-CB 4.36Å |
| 120 | L | 89.6 | Confident | 79.9 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 175.9 | -70.4 | 176.8 | 0 | 0 | 0 | 111.7 | L22 V46 A48 L116 E117 M122 F123 N124 | L22-L120 HydrophobicContact CD2-CD2 4.33Å; V46-L120 HydrophobicContact CB-CD2 4.37Å; V46-L120 HydrophobicContact CG1-CD2 4.05Å; A48-L120 HydrophobicContact CB-CD1 4.1Å; A48-L120 HydrophobicContact CB-CD2 4.2Å; L116-L120 HydrophobicContact CD1-CD1 4.25Å; L116-L120 HydrophobicContact CD1-CG 4.28Å; L116-L120 HydrophobicContact CG-CD1 4.05Å; L116-L120 HydrophobicContact CG-CG 4.45Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.39Å; L116-L120 PolarHBondContact O-N 2.92Å; E117-L120 PolarHBondContact O-N 3.21Å; L120-M122 VanDerWaalsContact C-N 3.3Å; L120-M122 PolarHBondContact O-N 2.93Å; L120-F123 PolarHBondContact O-N 3.1Å; L120-N124 WeakPolarHBondContact O-CB 3.46Å; L120-N124 PolarHBondContact O-N 3.21Å; L120-N124 PolarHBondContact O-ND2 3.39Å; L120-N124 PolarHBondContact O-OD1 3.26Å |
| 121 | R | 85.7 | Confident | 82.2 | Confident | 109 Ų | 109 | 39.1 Ų | 39.1 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 175 | -164.3 | -176.8 | -59.6 | 123.6 | 10.1 | 111.5 | E117 D118 V119 F123 N124 S125 | E117-R121 VanDerWaalsContact O-CB 3.28Å; E117-R121 WeakPolarHBondContact O-CB 3.22Å; E117-R121 PolarHBondContact O-N 3.24Å; D118-R121 WeakPolarHBondContact O-CB 3.35Å; D118-R121 PolarHBondContact O-N 3.34Å; D118-R121 IonicContact OD1-CZ 2.67Å; D118-R121 VanDerWaalsContact OD1-CZ 3.24Å; D118-R121 IonicContact OD1-NH1 3.09Å; D118-R121 PolarHBondContact OD1-NH1 2.88Å; D118-R121 IonicContact OD1-NH2 3.26Å; D118-R121 PolarHBondContact OD1-NH2 2.76Å; D118-R121 VanDerWaalsContact OD1-NH2 3.08Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 2.93Å; R121-F123 VanDerWaalsContact C-N 3.29Å; R121-F123 PolarHBondContact O-N 3.34Å; R121-N124 PolarHBondContact O-N 3.43Å; R121-S125 VanDerWaalsContact CG-OG 3.28Å; R121-S125 WeakPolarHBondContact CG-OG 3.47Å; R121-S125 VanDerWaalsContact O-CB 3.3Å; R121-S125 WeakPolarHBondContact O-CB 3.46Å; R121-S125 PolarHBondContact O-N 3.46Å; R121-S125 PolarHBondContact O-OG 2.86Å |
| 122 | M | 86.9 | Confident | 84.1 | Confident | 24 Ų | 24 | 35.6 Ų | 35.6 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 175.2 | -71.1 | 177.6 | 54.5 | 0 | 0 | 112.4 | D118 V119 L120 F129 W160 S490 I491 L494 | D118-M122 WeakPolarHBondContact O-CG 3.37Å; D118-M122 PolarHBondContact O-N 2.62Å; V119-M122 WeakPolarHBondContact O-CB 3.46Å; V119-M122 PolarHBondContact O-N 3.4Å; L120-M122 VanDerWaalsContact C-N 3.3Å; L120-M122 PolarHBondContact O-N 2.93Å; M122-F129 HydrophobicContact CB-CE2 4.4Å; M122-F129 HydrophobicContact CE-CZ 4.42Å; M122-W160 HydrophobicContact CE-CZ3 4.33Å; M122-S490 WeakPolarHBondContact SD-CB 3.44Å; M122-I491 HydrophobicContact CE-CB 4.47Å; M122-I491 HydrophobicContact CE-CG1 3.53Å; M122-I491 HydrophobicContact SD-CG1 4.01Å; M122-L494 HydrophobicContact CE-CD2 4.27Å |
| 123 | F | 88.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.8 | -47 | 175.6 | -71.2 | -70.7 | 0 | 0 | 0 | 112 | V8 L22 V46 V119 L120 R121 F129 M190 L494 | V8-F123 HydrophobicContact CG1-CE1 4.38Å; V8-F123 HydrophobicContact CG1-CZ 4.09Å; L22-F123 HydrophobicContact CD1-CE2 4.37Å; V46-F123 HydrophobicContact CB-CB 3.91Å; V46-F123 HydrophobicContact CB-CD2 4.21Å; V46-F123 HydrophobicContact CB-CG 4.03Å; V46-F123 HydrophobicContact CG1-CD2 4.39Å; V46-F123 HydrophobicContact CG2-CB 3.67Å; V46-F123 HydrophobicContact CG2-CD1 3.8Å; V46-F123 HydrophobicContact CG2-CD2 4.16Å; V46-F123 HydrophobicContact CG2-CE1 4.48Å; V46-F123 HydrophobicContact CG2-CG 3.61Å; V119-F123 HydrophobicContact CG1-CD2 4.37Å; V119-F123 HydrophobicContact CG1-CE2 3.98Å; V119-F123 VanDerWaalsContact O-CD2 3.29Å; V119-F123 WeakPolarHBondContact O-CD2 3.4Å; V119-F123 PolarHBondContact O-N 3.48Å; L120-F123 PolarHBondContact O-N 3.1Å; R121-F123 VanDerWaalsContact C-N 3.29Å; R121-F123 PolarHBondContact O-N 3.34Å; F123-F129 HydrophobicContact CD1-CB 4.25Å; F123-F129 HydrophobicContact CD1-CD1 4.19Å; F123-F129 AromaticContact CD1-CD2 3.48Å; F123-F129 HydrophobicContact CD1-CD2 3.48Å; F123-F129 VanDerWaalsContact CD1-CD2 3.48Å; F123-F129 HydrophobicContact CD1-CE1 4.41Å; F123-F129 AromaticContact CD1-CE2 3.74Å; F123-F129 HydrophobicContact CD1-CE2 3.74Å; F123-F129 AromaticContact CD1-CG 3.71Å; F123-F129 HydrophobicContact CD1-CG 3.71Å; F123-F129 HydrophobicContact CD1-CZ 4.19Å; F123-F129 AromaticContact CE1-CD1 3.83Å; F123-F129 HydrophobicContact CE1-CD1 3.83Å; F123-F129 AromaticContact CE1-CD2 3.93Å; F123-F129 HydrophobicContact CE1-CD2 3.93Å; F123-F129 AromaticContact CE1-CE1 3.86Å; F123-F129 HydrophobicContact CE1-CE1 3.86Å; F123-F129 AromaticContact CE1-CE2 3.96Å; F123-F129 HydrophobicContact CE1-CE2 3.96Å; F123-F129 AromaticContact CE1-CG 3.84Å; F123-F129 HydrophobicContact CE1-CG 3.84Å; F123-F129 AromaticContact CE1-CZ 3.92Å; F123-F129 HydrophobicContact CE1-CZ 3.92Å; F123-F129 HydrophobicContact CG-CD2 4.3Å; F123-F129 HydrophobicContact CG-CE2 4.33Å; F123-F129 HydrophobicContact CZ-CZ 4.46Å; F123-M190 HydrophobicContact CD1-SD 4.49Å; F123-M190 HydrophobicContact CE1-SD 3.91Å; F123-L494 HydrophobicContact CE2-CD1 4Å; F123-L494 HydrophobicContact CE2-CD2 4.23Å; F123-L494 HydrophobicContact CZ-CD1 3.75Å; F123-L494 HydrophobicContact CZ-CD2 3.84Å; F123-L494 HydrophobicContact CZ-CG 4.48Å |
| 124 | N | 86.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -89.7 | -22.9 | -162.5 | -59.7 | -9.7 | 0 | 0 | 0 | 114.3 | R45 V46 L120 R121 | R45-N124 WeakPolarHBondContact CA-OD1 3.39Å; V46-N124 PolarHBondContact N-OD1 3.08Å; V46-N124 PolarHBondContact O-ND2 3.34Å; L120-N124 WeakPolarHBondContact O-CB 3.46Å; L120-N124 PolarHBondContact O-N 3.21Å; L120-N124 PolarHBondContact O-ND2 3.39Å; L120-N124 PolarHBondContact O-OD1 3.26Å; R121-N124 PolarHBondContact O-N 3.43Å |
| 125 | S | 75.4 | Confident | 87.2 | Confident | 81 Ų | 81 | 32.9 Ų | 32.9 | 57% | 0.566 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -102.5 | -28.6 | -172.2 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | R121 | R121-S125 VanDerWaalsContact CG-OG 3.28Å; R121-S125 WeakPolarHBondContact CG-OG 3.47Å; R121-S125 VanDerWaalsContact O-CB 3.3Å; R121-S125 WeakPolarHBondContact O-CB 3.46Å; R121-S125 PolarHBondContact O-N 3.46Å; R121-S125 PolarHBondContact O-OG 2.86Å |
| 126 | N | 69.4 | Low | 87.7 | Confident | 55 Ų | 55 | 32.1 Ų | 32.1 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -96.9 | -16.1 | -166.8 | -66.8 | 10.9 | 0 | 0 | 0 | 113.8 | S128 | N126-S128 VanDerWaalsContact C-N 3.26Å; N126-S128 WeakPolarHBondContact CB-OG 3.32Å; N126-S128 PolarHBondContact O-N 3.35Å; N126-S128 PolarHBondContact O-OG 3.06Å |
| 127 | G | 81.7 | Confident | 88.1 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 12% | 0.124 | 17% | 0.166 | C | C | . | . | trans | 59.1 | 36.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K42 Y130 | K42-G127 VanDerWaalsContact CE-CA 3.44Å; K42-G127 WeakPolarHBondContact CE-O 3.32Å; G127-Y130 PolarHBondContact O-OH 2.99Å; G127-Y130 VanDerWaalsContact O-OH 3.07Å | ||
| 128 | S | 91.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | trans | -107.1 | -8.7 | -166.1 | -70.8 | 0 | 0 | 0 | 0 | 114.5 | N126 N192 G193 Q444 | N126-S128 VanDerWaalsContact C-N 3.26Å; N126-S128 WeakPolarHBondContact CB-OG 3.32Å; N126-S128 PolarHBondContact O-N 3.35Å; N126-S128 PolarHBondContact O-OG 3.06Å; S128-N192 CarbonylContact O-C 3.54Å; S128-N192 WeakPolarHBondContact O-CA 3.37Å; S128-G193 PolarHBondContact O-N 3.09Å; S128-Q444 VanDerWaalsContact OG-CG 3.23Å; S128-Q444 WeakPolarHBondContact OG-CG 3.43Å; S128-Q444 PolarHBondContact OG-NE2 3.39Å | ||
| 129 | F | 96.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.4 | -176.9 | -70.1 | -86.5 | 0 | 0 | 0 | 110.8 | V43 M122 F123 W160 M190 I191 N192 L494 | V43-F129 HydrophobicContact CB-CB 4.06Å; V43-F129 HydrophobicContact CG2-CB 4.05Å; V43-F129 PolarHBondContact N-O 3.34Å; M122-F129 HydrophobicContact CB-CE2 4.4Å; M122-F129 HydrophobicContact CE-CZ 4.42Å; F123-F129 HydrophobicContact CD1-CB 4.25Å; F123-F129 HydrophobicContact CD1-CD1 4.19Å; F123-F129 AromaticContact CD1-CD2 3.48Å; F123-F129 HydrophobicContact CD1-CD2 3.48Å; F123-F129 VanDerWaalsContact CD1-CD2 3.48Å; F123-F129 HydrophobicContact CD1-CE1 4.41Å; F123-F129 AromaticContact CD1-CE2 3.74Å; F123-F129 HydrophobicContact CD1-CE2 3.74Å; F123-F129 AromaticContact CD1-CG 3.71Å; F123-F129 HydrophobicContact CD1-CG 3.71Å; F123-F129 HydrophobicContact CD1-CZ 4.19Å; F123-F129 AromaticContact CE1-CD1 3.83Å; F123-F129 HydrophobicContact CE1-CD1 3.83Å; F123-F129 AromaticContact CE1-CD2 3.93Å; F123-F129 HydrophobicContact CE1-CD2 3.93Å; F123-F129 AromaticContact CE1-CE1 3.86Å; F123-F129 HydrophobicContact CE1-CE1 3.86Å; F123-F129 AromaticContact CE1-CE2 3.96Å; F123-F129 HydrophobicContact CE1-CE2 3.96Å; F123-F129 AromaticContact CE1-CG 3.84Å; F123-F129 HydrophobicContact CE1-CG 3.84Å; F123-F129 AromaticContact CE1-CZ 3.92Å; F123-F129 HydrophobicContact CE1-CZ 3.92Å; F123-F129 HydrophobicContact CG-CD2 4.3Å; F123-F129 HydrophobicContact CG-CE2 4.33Å; F123-F129 HydrophobicContact CZ-CZ 4.46Å; F129-W160 HydrophobicContact CE1-CB 4.01Å; F129-W160 HydrophobicContact CE1-CD2 4.16Å; F129-W160 AromaticContact CE1-CE3 3.88Å; F129-W160 HydrophobicContact CE1-CE3 3.88Å; F129-W160 HydrophobicContact CE1-CG 4.22Å; F129-W160 HydrophobicContact CZ-CE3 4.06Å; F129-M190 HydrophobicContact CD1-CB 4.44Å; F129-I191 WeakPolarHBondContact CA-O 3.46Å; F129-N192 HydrophobicContact CD1-CB 4.14Å; F129-N192 HydrophobicContact CE1-CB 3.81Å; F129-N192 WeakPolarHBondContact CE1-ND2 3.4Å; F129-N192 WeakPolarHBondContact CE2-ND2 3.47Å; F129-N192 HydrophobicContact CZ-CB 4.33Å; F129-N192 WeakPolarHBondContact CZ-ND2 3.48Å; F129-L494 HydrophobicContact CE1-CD2 4.38Å; F129-L494 HydrophobicContact CZ-CD2 4.05Å |
| 130 | Y | 97.7 | Very high | 89.5 | Confident | 8 Ų | 8 | 26.8 Ų | 26.8 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.4 | -176.8 | -60.7 | -100.1 | 0 | 0 | 0 | 109.8 | V30 Y41 K42 G127 M190 I191 G193 V195 | V30-Y130 HydrophobicContact CG2-CD1 4.15Å; V30-Y130 HydrophobicContact CG2-CE1 4.03Å; Y41-Y130 VanDerWaalsContact O-CA 3.32Å; Y41-Y130 WeakPolarHBondContact O-CA 3.49Å; K42-Y130 HydrophobicContact CB-CD1 3.83Å; K42-Y130 HydrophobicContact CB-CE1 3.6Å; K42-Y130 HydrophobicContact CD-CE1 3.83Å; K42-Y130 HydrophobicContact CG-CD1 4.28Å; K42-Y130 HydrophobicContact CG-CE1 3.75Å; G127-Y130 PolarHBondContact O-OH 2.99Å; G127-Y130 VanDerWaalsContact O-OH 3.07Å; Y130-M190 WeakPolarHBondContact O-CA 3.43Å; Y130-I191 PolarHBondContact N-O 2.9Å; Y130-I191 PolarHBondContact O-N 2.7Å; Y130-G193 WeakPolarHBondContact CE2-O 3.31Å; Y130-V195 HydrophobicContact CD1-CB 3.65Å; Y130-V195 HydrophobicContact CD1-CG2 3.78Å; Y130-V195 HydrophobicContact CD2-CG2 4.31Å; Y130-V195 HydrophobicContact CE1-CB 3.9Å; Y130-V195 HydrophobicContact CE1-CG2 4.42Å; Y130-V195 HydrophobicContact CG-CB 4.11Å; Y130-V195 HydrophobicContact CG-CG2 3.72Å |
| 131 | Y | 96.5 | Very high | 89.8 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 156 | 171.3 | 78 | -85.1 | 0 | 0 | 0 | 110.1 | Q27 Y41 V43 C188 A189 | Q27-Y131 PolarHBondContact OE1-OH 2.86Å; Y41-Y131 HydrophobicContact CD2-CE2 4.14Å; Y41-Y131 AromaticContact CD2-CZ 3.93Å; Y41-Y131 HydrophobicContact CG-CE1 4.45Å; Y41-Y131 PolarHBondContact N-O 3.41Å; Y41-Y131 PolarHBondContact O-N 3.37Å; V43-Y131 HydrophobicContact CG2-CD1 4Å; V43-Y131 HydrophobicContact CG2-CE1 4.42Å; Y131-C188 HydrophobicContact CD1-CB 4.18Å; Y131-C188 HydrophobicContact CD2-CB 3.88Å; Y131-C188 HydrophobicContact CE2-CB 4.23Å; Y131-C188 HydrophobicContact CG-CB 3.85Å; Y131-A189 WeakPolarHBondContact CB-O 3.34Å |
| 132 | C | 94.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.1 | 174 | -167.4 | 0 | 0 | 0 | 0 | 109.1 | N38 I40 L134 A135 L137 | N38-C132 VanDerWaalsContact CB-SG 3.59Å; I40-C132 HydrophobicContact CG1-CB 3.97Å; C132-L134 PolarHBondContact O-N 3.3Å; C132-A135 HydrophobicContact CB-CB 4.36Å; C132-A135 WeakPolarHBondContact CB-O 3.22Å; C132-L137 HydrophobicContact CB-CB 4.08Å; C132-L137 HydrophobicContact CB-CD1 4.45Å |
| 133 | S | 88.5 | Confident | 90.5 | Very high | 28 Ų | 28 | 22.5 Ų | 22.5 | 20% | 0.196 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 125.1 | 176.6 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | N38 S39 A135 | N38-S133 VanDerWaalsContact CB-O 3.24Å; N38-S133 WeakPolarHBondContact CB-O 3.38Å; S39-S133 PolarHBondContact N-OG 3.13Å; S39-S133 PolarHBondContact O-N 2.83Å; S39-S133 PolarHBondContact O-OG 3.47Å; S39-S133 VanDerWaalsContact O-OG 3.1Å; S133-A135 PolarHBondContact O-N 2.92Å |
| 134 | L | 88.4 | Confident | 90.7 | Very high | 88 Ų | 88 | 24.2 Ų | 24.2 | 46% | 0.461 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 8.9 | 173 | -43.1 | 177 | 0 | 0 | 0 | 115 | C132 V182 G185 | C132-L134 PolarHBondContact O-N 3.3Å; L134-V182 WeakPolarHBondContact CA-O 3.34Å; L134-G185 VanDerWaalsContact CD2-CA 3.47Å |
| 135 | A | 89.3 | Confident | 90.8 | Very high | 12 Ų | 12 | 23 Ų | 23 | 10% | 0.099 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -142 | 157.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T36 N38 C132 S133 | T36-A135 HydrophobicContact CG2-CB 4.41Å; N38-A135 HydrophobicContact CB-CB 4.05Å; N38-A135 WeakPolarHBondContact ND2-CB 3.29Å; C132-A135 HydrophobicContact CB-CB 4.36Å; C132-A135 WeakPolarHBondContact CB-O 3.22Å; S133-A135 PolarHBondContact O-N 2.92Å |
| 136 | D | 92 | Very high | 91.3 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 10% | 0.096 | 13% | 0.129 | C | C | . | . | trans | -79.7 | 125.2 | 179.4 | -176.7 | 16.5 | 0 | 0 | 0 | 111.4 | T138 N139 L144 L154 | D136-T138 VanDerWaalsContact CG-OG1 3.31Å; D136-T138 WeakPolarHBondContact OD1-CA 3.16Å; D136-T138 VanDerWaalsContact OD1-CB 3.23Å; D136-T138 WeakPolarHBondContact OD1-CB 3.46Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.26Å; D136-T138 PolarHBondContact OD1-N 3.46Å; D136-T138 PolarHBondContact OD1-OG1 2.94Å; D136-T138 PolarHBondContact OD2-OG1 3.47Å; D136-N139 WeakPolarHBondContact OD2-CB 3.5Å; D136-N139 PolarHBondContact OD2-N 3.31Å; D136-N139 PolarHBondContact OD2-ND2 2.94Å; D136-L144 HydrophobicContact CB-CD2 4.39Å; D136-L154 HydrophobicContact CB-CD2 3.87Å; D136-L154 VanDerWaalsContact CG-CD2 3.4Å; D136-L154 VanDerWaalsContact OD1-CD2 3.23Å; D136-L154 WeakPolarHBondContact OD1-CD2 3.37Å | ||
| 137 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -105.6 | -6.3 | 172.5 | -163.7 | 62.6 | 0 | 0 | 0 | 112 | I40 C132 I191 V195 I208 R210 | I40-L137 HydrophobicContact CD1-CD1 4.05Å; I40-L137 HydrophobicContact CG1-CD1 4.37Å; I40-L137 HydrophobicContact CG2-CD2 4.21Å; C132-L137 HydrophobicContact CB-CB 4.08Å; C132-L137 HydrophobicContact CB-CD1 4.45Å; L137-I191 HydrophobicContact CD2-CD1 3.79Å; L137-I191 HydrophobicContact CD2-CG1 3.94Å; L137-I191 HydrophobicContact CG-CD1 3.87Å; L137-I191 HydrophobicContact CG-CG1 4.31Å; L137-V195 HydrophobicContact CD2-CG2 4.15Å; L137-I208 HydrophobicContact CD1-CD1 4.26Å; L137-I208 HydrophobicContact CD1-CG2 4.26Å; L137-R210 PolarHBondContact O-NE 3.35Å |
| 138 | T | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -81.1 | -22.9 | -177.9 | 73.9 | 0 | 0 | 0 | 0 | 112.9 | D136 S155 F158 L159 I191 R210 | D136-T138 VanDerWaalsContact CG-OG1 3.31Å; D136-T138 WeakPolarHBondContact OD1-CA 3.16Å; D136-T138 VanDerWaalsContact OD1-CB 3.23Å; D136-T138 WeakPolarHBondContact OD1-CB 3.46Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.26Å; D136-T138 PolarHBondContact OD1-N 3.46Å; D136-T138 PolarHBondContact OD1-OG1 2.94Å; D136-T138 PolarHBondContact OD2-OG1 3.47Å; T138-S155 WeakPolarHBondContact O-CB 3.3Å; T138-S155 PolarHBondContact OG1-N 3.08Å; T138-F158 VanDerWaalsContact O-CD2 3.3Å; T138-F158 WeakPolarHBondContact O-CD2 3.43Å; T138-L159 HydrophobicContact CG2-CB 4.22Å; T138-L159 HydrophobicContact CG2-CD1 4.09Å; T138-I191 HydrophobicContact CG2-CG2 3.9Å; T138-R210 WeakPolarHBondContact O-CD 3.3Å |
| 139 | N | 95.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -104.6 | 153.8 | 174.9 | -76.4 | -57.1 | 0 | 0 | 0 | 112.1 | D136 C143 L144 A153 R210 | D136-N139 WeakPolarHBondContact OD2-CB 3.5Å; D136-N139 PolarHBondContact OD2-N 3.31Å; D136-N139 PolarHBondContact OD2-ND2 2.94Å; N139-C143 HydrophobicContact CB-CB 4.09Å; N139-C143 PolarHBondContact OD1-SG 2.86Å; N139-L144 HydrophobicContact CB-CD2 4.12Å; N139-L144 HydrophobicContact CB-CG 4.32Å; N139-A153 PolarHBondContact ND2-O 3.45Å; N139-R210 PolarHBondContact O-NH2 3.05Å |
| 140 | S | 96 | Very high | 88.3 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | trans | -75.4 | 159.5 | 173.1 | 66.7 | 0 | 0 | 0 | 0 | 112 | Q142 C143 L144 E238 | S140-Q142 PolarHBondContact O-N 3.34Å; S140-C143 WeakPolarHBondContact O-CB 3.41Å; S140-C143 PolarHBondContact O-N 2.91Å; S140-C143 PolarHBondContact OG-N 2.98Å; S140-L144 WeakPolarHBondContact O-CG 3.29Å; S140-L144 PolarHBondContact O-N 3.24Å; S140-E238 VanDerWaalsContact CA-OE2 3.3Å; S140-E238 WeakPolarHBondContact CA-OE2 3.33Å | ||
| 141 | V | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52 | -45 | 173.4 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | L35 C143 L144 V145 E238 V240 V369 | L35-V141 HydrophobicContact CB-CG2 4.17Å; L35-V141 HydrophobicContact CD1-CG1 4.43Å; L35-V141 HydrophobicContact CD2-CG1 4.1Å; L35-V141 HydrophobicContact CD2-CG2 4.32Å; V141-C143 VanDerWaalsContact C-N 3.32Å; V141-C143 PolarHBondContact O-N 3.5Å; V141-L144 PolarHBondContact O-N 2.9Å; V141-L144 VanDerWaalsContact O-N 3.15Å; V141-V145 WeakPolarHBondContact O-CG2 3.49Å; V141-V145 PolarHBondContact O-N 2.87Å; V141-E238 VanDerWaalsContact CB-OE1 3.3Å; V141-E238 WeakPolarHBondContact CB-OE1 3.5Å; V141-E238 WeakPolarHBondContact CG2-OE1 3.41Å; V141-E238 PolarHBondContact N-OE1 2.99Å; V141-V240 HydrophobicContact CG2-CG1 4.18Å; V141-V240 HydrophobicContact CG2-CG2 4.05Å; V141-V369 HydrophobicContact CG1-CG2 4.07Å |
| 142 | Q | 94.9 | Very high | 86.7 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 16% | 0.164 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 177.5 | 177.7 | 156.4 | -56.2 | 0 | 0 | 111.8 | S140 L144 V145 S146 C367 L378 Q379 | S140-Q142 PolarHBondContact O-N 3.34Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 3Å; Q142-V145 WeakPolarHBondContact O-CG2 3.47Å; Q142-V145 PolarHBondContact O-N 3.31Å; Q142-S146 VanDerWaalsContact O-CB 3.24Å; Q142-S146 WeakPolarHBondContact O-CB 3.23Å; Q142-S146 PolarHBondContact O-N 2.82Å; Q142-S146 PolarHBondContact O-OG 2.79Å; Q142-C367 HydrophobicContact CB-CB 3.88Å; Q142-C367 HydrophobicContact CG-CB 4.37Å; Q142-L378 HydrophobicContact CG-CD2 4.22Å; Q142-Q379 PolarHBondContact NE2-O 3.3Å; Q142-Q379 VanDerWaalsContact NE2-O 3.09Å |
| 143 | C | 92.8 | Very high | 86.5 | Confident | 39 Ų | 39 | 41.6 Ų | 41.6 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | N139 S140 V141 V145 | N139-C143 HydrophobicContact CB-CB 4.09Å; N139-C143 PolarHBondContact OD1-SG 2.86Å; S140-C143 WeakPolarHBondContact O-CB 3.41Å; S140-C143 PolarHBondContact O-N 2.91Å; S140-C143 PolarHBondContact OG-N 2.98Å; V141-C143 VanDerWaalsContact C-N 3.32Å; V141-C143 PolarHBondContact O-N 3.5Å; C143-V145 VanDerWaalsContact C-N 3.35Å; C143-V145 PolarHBondContact O-N 3.46Å |
| 144 | L | 91.1 | Very high | 86.6 | Confident | 37 Ų | 37 | 40.6 Ų | 40.6 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -33.8 | 178.6 | -64.7 | 175.1 | 0 | 0 | 0 | 113.2 | L35 D136 N139 S140 V141 Q142 V152 | L35-L144 HydrophobicContact CD2-CB 4.3Å; L35-L144 HydrophobicContact CD2-CD1 4.31Å; D136-L144 HydrophobicContact CB-CD2 4.39Å; N139-L144 HydrophobicContact CB-CD2 4.12Å; N139-L144 HydrophobicContact CB-CG 4.32Å; S140-L144 WeakPolarHBondContact O-CG 3.29Å; S140-L144 PolarHBondContact O-N 3.24Å; V141-L144 PolarHBondContact O-N 2.9Å; V141-L144 VanDerWaalsContact O-N 3.15Å; Q142-L144 VanDerWaalsContact C-N 3.33Å; Q142-L144 PolarHBondContact O-N 3Å; L144-V152 HydrophobicContact CD2-CB 4.44Å; L144-V152 HydrophobicContact CD2-CG2 4.47Å |
| 145 | V | 90.5 | Very high | 86.9 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -92.6 | -27.9 | -178.9 | -57.3 | 0 | 0 | 0 | 0 | 114 | L35 V141 Q142 C143 N147 G148 V369 A375 | L35-V145 HydrophobicContact CD1-CG1 4.38Å; L35-V145 HydrophobicContact CD2-CG1 4.05Å; V141-V145 WeakPolarHBondContact O-CG2 3.49Å; V141-V145 PolarHBondContact O-N 2.87Å; Q142-V145 WeakPolarHBondContact O-CG2 3.47Å; Q142-V145 PolarHBondContact O-N 3.31Å; C143-V145 VanDerWaalsContact C-N 3.35Å; C143-V145 PolarHBondContact O-N 3.46Å; V145-N147 PolarHBondContact O-N 2.78Å; V145-G148 PolarHBondContact O-N 2.87Å; V145-V369 HydrophobicContact CB-CG2 4.49Å; V145-V369 HydrophobicContact CG1-CG2 3.81Å; V145-V369 HydrophobicContact CG2-CG2 4.25Å; V145-A375 HydrophobicContact CG2-CB 3.99Å |
| 146 | S | 85.2 | Confident | 87.1 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.3 | -21.6 | -175.4 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | Q142 G148 | Q142-S146 VanDerWaalsContact O-CB 3.24Å; Q142-S146 WeakPolarHBondContact O-CB 3.23Å; Q142-S146 PolarHBondContact O-N 2.82Å; Q142-S146 PolarHBondContact O-OG 2.79Å; S146-G148 PolarHBondContact O-N 2.82Å |
| 147 | N | 74.2 | Confident | 87.3 | Confident | 82 Ų | 82 | 41 Ų | 41 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 13.3 | -179.5 | -79.8 | -4.7 | 0 | 0 | 0 | 114.1 | V145 G149 A150 V152 | V145-N147 PolarHBondContact O-N 2.78Å; N147-G149 PolarHBondContact O-N 2.88Å; N147-G149 VanDerWaalsContact O-N 3.17Å; N147-A150 HydrophobicContact CB-CB 4.44Å; N147-A150 VanDerWaalsContact O-CB 3.23Å; N147-A150 WeakPolarHBondContact O-CB 3.23Å; N147-A150 PolarHBondContact O-N 2.94Å; N147-V152 HydrophobicContact CB-CG2 3.86Å; N147-V152 WeakPolarHBondContact ND2-CG2 3.37Å |
| 148 | G | 67.2 | Low | 87.4 | Confident | 76 Ų | 76 | 41 Ų | 41 | 78% | 0.784 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 32.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V145 S146 A150 | V145-G148 PolarHBondContact O-N 2.87Å; S146-G148 PolarHBondContact O-N 2.82Å; G148-A150 VanDerWaalsContact C-N 3.28Å; G148-A150 PolarHBondContact O-N 2.77Å |
| 149 | G | 64.5 | Low | 87.4 | Confident | 76 Ų | 76 | 41.1 Ų | 41.1 | 78% | 0.784 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -2.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N147 | N147-G149 PolarHBondContact O-N 2.88Å; N147-G149 VanDerWaalsContact O-N 3.17Å |
| 150 | A | 69.5 | Low | 87.4 | Confident | 62 Ų | 62 | 40.7 Ų | 40.7 | 51% | 0.512 | 27% | 0.272 | S | S | . | . | trans | -63.4 | 143.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N147 G148 V152 | N147-A150 HydrophobicContact CB-CB 4.44Å; N147-A150 VanDerWaalsContact O-CB 3.23Å; N147-A150 WeakPolarHBondContact O-CB 3.23Å; N147-A150 PolarHBondContact O-N 2.94Å; G148-A150 VanDerWaalsContact C-N 3.28Å; G148-A150 PolarHBondContact O-N 2.77Å; A150-V152 WeakPolarHBondContact O-CG2 3.23Å; A150-V152 PolarHBondContact O-N 2.91Å | ||
| 151 | K | 75.8 | Confident | 87.3 | Confident | 120 Ų | 120 | 40.2 Ų | 40.2 | 52% | 0.522 | 27% | 0.268 | S | S | . | . | trans | -60.6 | 113 | 179.5 | -170 | -177.9 | -177.8 | -168.6 | 0 | 109.8 | S177 D180 | K151-S177 PolarHBondContact NZ-OG 3.03Å; K151-D180 IonicContact NZ-OD1 3.79Å; K151-D180 PolarHBondContact NZ-OD1 3.07Å; K151-D180 IonicContact NZ-OD2 3.81Å; K151-D180 PolarHBondContact NZ-OD2 3.38Å | ||
| 152 | V | 84.4 | Confident | 87.2 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 129.5 | 177.9 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | L144 N147 A150 | L144-V152 HydrophobicContact CD2-CB 4.44Å; L144-V152 HydrophobicContact CD2-CG2 4.47Å; N147-V152 HydrophobicContact CB-CG2 3.86Å; N147-V152 WeakPolarHBondContact ND2-CG2 3.37Å; A150-V152 WeakPolarHBondContact O-CG2 3.23Å; A150-V152 PolarHBondContact O-N 2.91Å |
| 153 | A | 90 | Very high | 87 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 55% | 0.554 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 146.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | N139 S155 E179 | N139-A153 PolarHBondContact ND2-O 3.45Å; A153-S155 PolarHBondContact O-N 3.15Å; A153-E179 WeakPolarHBondContact CA-OE1 3.36Å |
| 154 | L | 92.1 | Very high | 86.7 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 136.3 | 174.5 | -62.9 | 174.1 | 0 | 0 | 0 | 109.9 | D136 N156 L159 L178 E179 V182 A189 | D136-L154 HydrophobicContact CB-CD2 3.87Å; D136-L154 VanDerWaalsContact CG-CD2 3.4Å; D136-L154 VanDerWaalsContact OD1-CD2 3.23Å; D136-L154 WeakPolarHBondContact OD1-CD2 3.37Å; L154-N156 PolarHBondContact O-N 3.27Å; L154-L159 HydrophobicContact CB-CD2 4.17Å; L154-L159 HydrophobicContact CD1-CD1 4.38Å; L154-L159 HydrophobicContact CD1-CD2 3.87Å; L154-L178 HydrophobicContact CD1-CB 3.92Å; L154-L178 HydrophobicContact CD1-CD2 4.39Å; L154-E179 HydrophobicContact CG-CG 4.03Å; L154-E179 WeakPolarHBondContact CG-OE1 3.32Å; L154-E179 PolarHBondContact N-OE1 3.38Å; L154-V182 HydrophobicContact CD1-CG2 4.01Å; L154-A189 HydrophobicContact CD1-CB 4.12Å; L154-A189 HydrophobicContact CD2-CB 4.27Å |
| 155 | S | 94.2 | Very high | 86.6 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 117.4 | -178.7 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | T138 A153 R157 F158 L159 | T138-S155 WeakPolarHBondContact O-CB 3.3Å; T138-S155 PolarHBondContact OG1-N 3.08Å; A153-S155 PolarHBondContact O-N 3.15Å; S155-R157 PolarHBondContact O-N 3.24Å; S155-R157 VanDerWaalsContact O-N 3.16Å; S155-R157 PolarHBondContact OG-N 3.02Å; S155-F158 PolarHBondContact O-N 2.89Å; S155-F158 VanDerWaalsContact O-N 3.13Å; S155-L159 PolarHBondContact O-N 3.3Å; S155-L159 VanDerWaalsContact O-N 3.14Å |
| 156 | N | 93.3 | Very high | 86.1 | Confident | 75 Ų | 75 | 44.5 Ų | 44.5 | 40% | 0.401 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.3 | 172.8 | -66 | -18.7 | 0 | 0 | 0 | 112.4 | L154 F158 R162 V213 | L154-N156 PolarHBondContact O-N 3.27Å; N156-F158 VanDerWaalsContact C-N 3.27Å; N156-F158 PolarHBondContact O-N 3.49Å; N156-R162 PolarHBondContact OD1-NH1 2.89Å; N156-R162 PolarHBondContact OD1-NH2 3.37Å; N156-V213 VanDerWaalsContact O-CG2 3.27Å; N156-V213 WeakPolarHBondContact O-CG2 3.29Å |
| 157 | R | 95.8 | Very high | 85.6 | Confident | 40 Ų | 40 | 43 Ų | 43 | 15% | 0.151 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -32 | -179.9 | -65.3 | 178.9 | -64.9 | 130.8 | 0.7 | 111.8 | S155 S212 V213 Y214 E236 Y296 | S155-R157 PolarHBondContact O-N 3.24Å; S155-R157 VanDerWaalsContact O-N 3.16Å; S155-R157 PolarHBondContact OG-N 3.02Å; R157-S212 CarbonylContact O-C 3.56Å; R157-S212 WeakPolarHBondContact O-CA 3.41Å; R157-V213 PolarHBondContact O-N 3.06Å; R157-Y214 HydrophobicContact CB-CE2 4.26Å; R157-Y214 HydrophobicContact CG-CD2 4.26Å; R157-Y214 HydrophobicContact CG-CE2 3.73Å; R157-E236 IonicContact CZ-OE2 3.26Å; R157-E236 IonicContact NH1-OE2 3.29Å; R157-E236 PolarHBondContact NH1-OE2 2.8Å; R157-E236 VanDerWaalsContact NH1-OE2 3.09Å; R157-E236 IonicContact NH2-OE2 3.09Å; R157-E236 PolarHBondContact NH2-OE2 3.37Å; R157-Y296 PolarHBondContact NH1-OH 2.99Å |
| 158 | F | 97.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | -0.3 | -163.9 | -55.9 | -54 | 0 | 0 | 0 | 115.1 | T138 S155 N156 W160 I191 R210 Y234 E236 | T138-F158 VanDerWaalsContact O-CD2 3.3Å; T138-F158 WeakPolarHBondContact O-CD2 3.43Å; S155-F158 PolarHBondContact O-N 2.89Å; S155-F158 VanDerWaalsContact O-N 3.13Å; N156-F158 VanDerWaalsContact C-N 3.27Å; N156-F158 PolarHBondContact O-N 3.49Å; F158-W160 PolarHBondContact O-N 2.71Å; F158-I191 HydrophobicContact CB-CG2 4.37Å; F158-R210 HydrophobicContact CB-CB 4Å; F158-R210 HydrophobicContact CD1-CB 3.57Å; F158-R210 HydrophobicContact CD2-CB 3.93Å; F158-R210 HydrophobicContact CE1-CB 3.96Å; F158-R210 VanDerWaalsContact CE1-O 3.23Å; F158-R210 WeakPolarHBondContact CE1-O 3.38Å; F158-R210 HydrophobicContact CE2-CB 4.25Å; F158-R210 HydrophobicContact CG-CB 3.56Å; F158-R210 HydrophobicContact CG-CG 4.43Å; F158-R210 HydrophobicContact CZ-CB 4.28Å; F158-Y234 HydrophobicContact CE1-CD1 4.35Å; F158-Y234 HydrophobicContact CE1-CE1 4.48Å; F158-Y234 HydrophobicContact CZ-CD1 4.46Å; F158-Y234 HydrophobicContact CZ-CE1 4.13Å; F158-E236 HydrophobicContact CE1-CB 4.26Å; F158-E236 HydrophobicContact CE2-CB 4.02Å; F158-E236 WeakPolarHBondContact CE2-OE2 3.13Å; F158-E236 HydrophobicContact CZ-CB 3.51Å; F158-E236 HydrophobicContact CZ-CG 4.42Å |
| 159 | L | 95.9 | Very high | 85.5 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | trans | -84.1 | 92.8 | 176.5 | -174.6 | 63.4 | 0 | 0 | 0 | 111.3 | T138 L154 S155 N161 R162 L178 A189 | T138-L159 HydrophobicContact CG2-CB 4.22Å; T138-L159 HydrophobicContact CG2-CD1 4.09Å; L154-L159 HydrophobicContact CB-CD2 4.17Å; L154-L159 HydrophobicContact CD1-CD1 4.38Å; L154-L159 HydrophobicContact CD1-CD2 3.87Å; S155-L159 PolarHBondContact O-N 3.3Å; S155-L159 VanDerWaalsContact O-N 3.14Å; L159-N161 WeakPolarHBondContact CD1-OD1 3.32Å; L159-N161 PolarHBondContact O-N 2.7Å; L159-R162 HydrophobicContact CB-CB 4.17Å; L159-R162 HydrophobicContact CD2-CB 3.71Å; L159-R162 HydrophobicContact CD2-CG 3.96Å; L159-R162 HydrophobicContact CG-CB 3.78Å; L159-R162 VanDerWaalsContact O-CB 3.3Å; L159-R162 WeakPolarHBondContact O-CB 3.28Å; L159-R162 PolarHBondContact O-N 2.58Å; L159-L178 HydrophobicContact CD2-CD2 3.7Å; L159-A189 HydrophobicContact CD1-CB 3.67Å | ||
| 160 | W | 95.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -28.7 | -172.4 | -88 | 66.2 | 0 | 0 | 0 | 114.5 | M122 F129 F158 M190 N192 R211 V213 A216 I491 L494 L495 | M122-W160 HydrophobicContact CE-CZ3 4.33Å; F129-W160 HydrophobicContact CE1-CB 4.01Å; F129-W160 HydrophobicContact CE1-CD2 4.16Å; F129-W160 AromaticContact CE1-CE3 3.88Å; F129-W160 HydrophobicContact CE1-CE3 3.88Å; F129-W160 HydrophobicContact CE1-CG 4.22Å; F129-W160 HydrophobicContact CZ-CE3 4.06Å; F158-W160 PolarHBondContact O-N 2.71Å; W160-M190 PolarHBondContact N-O 3.22Å; W160-N192 HydrophobicContact CD2-CB 3.37Å; W160-N192 HydrophobicContact CE3-CB 3.96Å; W160-N192 HydrophobicContact CG-CB 3.67Å; W160-N192 HydrophobicContact CH2-CB 4.21Å; W160-N192 HydrophobicContact CZ2-CB 3.68Å; W160-N192 HydrophobicContact CZ3-CB 4.33Å; W160-R211 HydrophobicContact CZ2-CB 4.41Å; W160-R211 HydrophobicContact CZ2-CG 4.23Å; W160-R211 PolarHBondContact NE1-O 3.47Å; W160-V213 HydrophobicContact CD2-CG1 4.3Å; W160-V213 HydrophobicContact CG-CG1 3.99Å; W160-A216 HydrophobicContact CH2-CB 4Å; W160-A216 HydrophobicContact CZ2-CB 4.21Å; W160-I491 HydrophobicContact CZ3-CG2 4.41Å; W160-L494 HydrophobicContact CE3-CD2 4.12Å; W160-L495 HydrophobicContact CD2-CD2 4.25Å; W160-L495 HydrophobicContact CE3-CD2 4.01Å; W160-L495 HydrophobicContact CZ3-CD1 4.48Å; W160-L495 WeakPolarHBondContact O-CD2 3.34Å |
| 161 | N | 93.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 17.1 | 176.1 | 65.9 | -38.9 | 0 | 0 | 0 | 112.9 | V8 L159 H163 S164 A165 C188 M190 | V8-N161 HydrophobicContact CG1-CB 3.9Å; V8-N161 PolarHBondContact O-ND2 3.17Å; L159-N161 WeakPolarHBondContact CD1-OD1 3.32Å; L159-N161 PolarHBondContact O-N 2.7Å; N161-H163 PolarHBondContact O-N 3.47Å; N161-S164 PolarHBondContact O-N 3.27Å; N161-A165 VanDerWaalsContact O-CB 3.24Å; N161-A165 WeakPolarHBondContact O-CB 3.4Å; N161-A165 PolarHBondContact O-N 3.26Å; N161-C188 PolarHBondContact ND2-O 3.36Å; N161-M190 PolarHBondContact OD1-N 2.93Å |
| 162 | R | 92.1 | Very high | 84.7 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.1 | -50 | -179.6 | -175.5 | 179.7 | 178.8 | 94.8 | -6.4 | 112.1 | N156 L159 S164 A165 S166 | N156-R162 PolarHBondContact OD1-NH1 2.89Å; N156-R162 PolarHBondContact OD1-NH2 3.37Å; L159-R162 HydrophobicContact CB-CB 4.17Å; L159-R162 HydrophobicContact CD2-CB 3.71Å; L159-R162 HydrophobicContact CD2-CG 3.96Å; L159-R162 HydrophobicContact CG-CB 3.78Å; L159-R162 VanDerWaalsContact O-CB 3.3Å; L159-R162 WeakPolarHBondContact O-CB 3.28Å; L159-R162 PolarHBondContact O-N 2.58Å; R162-S164 VanDerWaalsContact C-N 3.34Å; R162-S164 PolarHBondContact O-N 3.4Å; R162-A165 CarbonylContact O-C 3.51Å; R162-A165 PolarHBondContact O-N 3.18Å; R162-A165 VanDerWaalsContact O-N 3.15Å; R162-S166 PolarHBondContact O-N 2.97Å |
| 163 | H | 89.9 | Confident | 83.7 | Confident | 90 Ų | 90 | 47.7 Ų | 47.7 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 179.8 | 179 | 69.7 | 0 | 0 | 0 | 111 | N161 A165 S166 G496 | N161-H163 PolarHBondContact O-N 3.47Å; H163-A165 VanDerWaalsContact C-N 3.29Å; H163-A165 PolarHBondContact O-N 3.3Å; H163-S166 PolarHBondContact O-N 3.32Å; H163-S166 PolarHBondContact O-OG 2.86Å; H163-G496 WeakPolarHBondContact CD2-CA 3.42Å; H163-G496 WeakPolarHBondContact NE2-CA 3.36Å |
| 164 | S | 88.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 175 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | G9 C10 N161 R162 C167 | G9-S164 CarbonylContact C-O 3.48Å; G9-S164 WeakPolarHBondContact CA-O 3.28Å; C10-S164 PolarHBondContact N-O 3.42Å; C10-S164 WeakPolarHBondContact O-CA 3.23Å; C10-S164 WeakPolarHBondContact O-CB 3.49Å; C10-S164 PolarHBondContact O-OG 3.02Å; C10-S164 VanDerWaalsContact O-OG 3.12Å; N161-S164 PolarHBondContact O-N 3.27Å; R162-S164 VanDerWaalsContact C-N 3.34Å; R162-S164 PolarHBondContact O-N 3.4Å; S164-C167 PolarHBondContact O-SG 2.83Å |
| 165 | A | 88 | Confident | 81.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -78.1 | -19.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N161 R162 H163 C167 F168 L178 L187 | N161-A165 VanDerWaalsContact O-CB 3.24Å; N161-A165 WeakPolarHBondContact O-CB 3.4Å; N161-A165 PolarHBondContact O-N 3.26Å; R162-A165 CarbonylContact O-C 3.51Å; R162-A165 PolarHBondContact O-N 3.18Å; R162-A165 VanDerWaalsContact O-N 3.15Å; H163-A165 VanDerWaalsContact C-N 3.29Å; H163-A165 PolarHBondContact O-N 3.3Å; A165-C167 PolarHBondContact O-N 3.19Å; A165-F168 WeakPolarHBondContact O-CD2 3.42Å; A165-F168 PolarHBondContact O-N 3.34Å; A165-F168 VanDerWaalsContact O-N 3.12Å; A165-L178 HydrophobicContact CB-CD2 4.08Å; A165-L187 HydrophobicContact CB-CD1 3.72Å; A165-L187 HydrophobicContact CB-CD2 3.92Å |
| 166 | S | 81.3 | Confident | 80.7 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -24.4 | -177 | 70.6 | 0 | 0 | 0 | 0 | 113 | R162 H163 F168 L169 E170 | R162-S166 PolarHBondContact O-N 2.97Å; H163-S166 PolarHBondContact O-N 3.32Å; H163-S166 PolarHBondContact O-OG 2.86Å; S166-F168 PolarHBondContact O-N 2.99Å; S166-F168 VanDerWaalsContact O-N 3.09Å; S166-L169 WeakPolarHBondContact O-CB 3.17Å; S166-L169 PolarHBondContact O-N 3.39Å; S166-E170 PolarHBondContact O-N 3.08Å |
| 167 | C | 73.2 | Confident | 80.2 | Confident | 24 Ų | 24 | 52 Ų | 52 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.3 | -26.7 | 173.7 | 69 | 0 | 0 | 0 | 0 | 112.9 | C10 S164 A165 N171 | C10-C167 HydrophobicContact CB-CB 3.7Å; C10-C167 WeakPolarHBondContact CB-SG 3.1Å; C10-C167 WeakPolarHBondContact SG-CB 3.26Å; C10-C167 CovalentContact SG-SG 2.06Å; C10-C167 PolarHBondContact SG-SG 2.78Å; S164-C167 PolarHBondContact O-SG 2.83Å; A165-C167 PolarHBondContact O-N 3.19Å; C167-N171 PolarHBondContact O-ND2 3.24Å |
| 168 | F | 69 | Low | 79.6 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -78.6 | -37.2 | 176.6 | -53.3 | -60.7 | 0 | 0 | 0 | 111.7 | L7 L21 A165 S166 E170 N171 M172 | L7-F168 HydrophobicContact CD1-CZ 3.98Å; L7-F168 HydrophobicContact CD2-CD1 4.28Å; L7-F168 HydrophobicContact CD2-CD2 4.1Å; L7-F168 HydrophobicContact CD2-CE1 3.59Å; L7-F168 HydrophobicContact CD2-CE2 3.36Å; L7-F168 HydrophobicContact CD2-CZ 3.11Å; L7-F168 HydrophobicContact CG-CE2 3.84Å; L7-F168 HydrophobicContact CG-CZ 3.68Å; L21-F168 HydrophobicContact CD1-CE1 4.47Å; L21-F168 HydrophobicContact CD1-CZ 4.21Å; A165-F168 WeakPolarHBondContact O-CD2 3.42Å; A165-F168 PolarHBondContact O-N 3.34Å; A165-F168 VanDerWaalsContact O-N 3.12Å; S166-F168 PolarHBondContact O-N 2.99Å; S166-F168 VanDerWaalsContact O-N 3.09Å; F168-E170 VanDerWaalsContact C-N 3.3Å; F168-E170 PolarHBondContact O-N 2.97Å; F168-N171 PolarHBondContact O-N 3.23Å; F168-M172 HydrophobicContact CB-CE 4.05Å; F168-M172 WeakPolarHBondContact O-CG 3.45Å; F168-M172 PolarHBondContact O-N 2.82Å |
| 169 | L | 69.9 | Low | 79.1 | Confident | 74 Ų | 74 | 52.3 Ų | 52.3 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 178.1 | -75.1 | -178.7 | 0 | 0 | 0 | 112.4 | S166 N171 M172 L178 | S166-L169 WeakPolarHBondContact O-CB 3.17Å; S166-L169 PolarHBondContact O-N 3.39Å; L169-N171 PolarHBondContact O-N 2.87Å; L169-N171 VanDerWaalsContact O-N 3.15Å; L169-M172 PolarHBondContact O-N 2.88Å; L169-L178 HydrophobicContact CD1-CD1 3.22Å; L169-L178 HydrophobicContact CD2-CD1 3.47Å; L169-L178 VanDerWaalsContact CD2-CD1 3.47Å; L169-L178 HydrophobicContact CG-CD1 3.25Å |
| 170 | E | 69 | Low | 78.6 | Confident | 155 Ų | 155 | 53.6 Ų | 53.6 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.5 | -179.5 | -68.3 | 172.6 | -169.1 | 0 | 0 | 112.8 | S166 F168 | S166-E170 PolarHBondContact O-N 3.08Å; F168-E170 VanDerWaalsContact C-N 3.3Å; F168-E170 PolarHBondContact O-N 2.97Å |
| 171 | N | 62 | Low | 78.1 | Confident | 133 Ų | 133 | 54 Ų | 54 | 71% | 0.711 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -3 | -178 | -65.6 | -75.6 | 0 | 0 | 0 | 113.6 | C167 F168 L169 | C167-N171 PolarHBondContact O-ND2 3.24Å; F168-N171 PolarHBondContact O-N 3.23Å; L169-N171 PolarHBondContact O-N 2.87Å; L169-N171 VanDerWaalsContact O-N 3.15Å |
| 172 | M | 62.6 | Low | 77.8 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -81.3 | 158.8 | 179.5 | -73.7 | -110.6 | -168.7 | 0 | 0 | 111.4 | H72 F168 L169 S174 C176 C181 | H72-M172 PolarHBondContact CE1-SD 2.96Å; F168-M172 HydrophobicContact CB-CE 4.05Å; F168-M172 WeakPolarHBondContact O-CG 3.45Å; F168-M172 PolarHBondContact O-N 2.82Å; L169-M172 PolarHBondContact O-N 2.88Å; M172-S174 PolarHBondContact O-N 2.96Å; M172-C176 HydrophobicContact CB-CB 4.22Å; M172-C176 HydrophobicContact CG-CB 4.49Å; M172-C176 HydrophobicContact SD-CB 3.61Å; M172-C176 PolarHBondContact SD-SG 2.88Å; M172-C181 WeakPolarHBondContact CE-SG 3.27Å |
| 173 | Q | 63.2 | Low | 77.4 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | trans | -56.4 | 140.5 | 161.1 | -68.8 | 179.5 | 8.1 | 0 | 0 | 108.9 | F71 S175 C176 | F71-Q173 VanDerWaalsContact O-CD 3.24Å; F71-Q173 PolarHBondContact O-NE2 2.79Å; F71-Q173 PolarHBondContact O-OE1 3.1Å; Q173-S175 PolarHBondContact O-N 2.95Å; Q173-C176 PolarHBondContact O-N 3.35Å | ||
| 174 | S | 66.4 | Low | 77.1 | Confident | 139 Ų | 139 | 50.5 Ų | 50.5 | 97% | 0.972 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -13.5 | -179.2 | 45 | 0 | 0 | 0 | 0 | 114.5 | M172 | M172-S174 PolarHBondContact O-N 2.96Š|
| 175 | S | 70.7 | Confident | 76.8 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 51% | 0.51 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -16.6 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | Q173 | Q173-S175 PolarHBondContact O-N 2.95Š|
| 176 | C | 76.3 | Confident | 76.5 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | trans | -93 | 123.8 | -175.5 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | F71 M172 Q173 | F71-C176 HydrophobicContact CB-CB 4.42Å; F71-C176 HydrophobicContact CD2-CB 4.31Å; F71-C176 HydrophobicContact CG-CB 4.25Å; M172-C176 HydrophobicContact CB-CB 4.22Å; M172-C176 HydrophobicContact CG-CB 4.49Å; M172-C176 HydrophobicContact SD-CB 3.61Å; M172-C176 PolarHBondContact SD-SG 2.88Å; Q173-C176 PolarHBondContact O-N 3.35Å | ||
| 177 | S | 82.9 | Confident | 76.8 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | trans | -99.7 | 166.3 | -179.9 | 65 | 0 | 0 | 0 | 0 | 112.7 | K151 E179 D180 C181 | K151-S177 PolarHBondContact NZ-OG 3.03Å; S177-E179 VanDerWaalsContact CB-OE2 3.23Å; S177-E179 WeakPolarHBondContact CB-OE2 3.44Å; S177-E179 PolarHBondContact O-N 3.22Å; S177-E179 PolarHBondContact OG-OE2 3.39Å; S177-D180 WeakPolarHBondContact CB-OD2 2.9Å; S177-D180 PolarHBondContact N-OD2 2.93Å; S177-D180 WeakPolarHBondContact O-CB 3.2Å; S177-D180 PolarHBondContact O-N 3.04Å; S177-D180 VanDerWaalsContact O-N 3.14Å; S177-D180 PolarHBondContact OG-N 3.18Å; S177-D180 PolarHBondContact OG-OD2 3.12Å; S177-C181 PolarHBondContact O-N 3.49Å; S177-C181 PolarHBondContact O-SG 3.16Å | ||
| 178 | L | 84.7 | Confident | 77.7 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 173.3 | -97.3 | 73.2 | 0 | 0 | 0 | 111 | L154 L159 A165 L169 D180 C181 V182 L187 | L154-L178 HydrophobicContact CD1-CB 3.92Å; L154-L178 HydrophobicContact CD1-CD2 4.39Å; L159-L178 HydrophobicContact CD2-CD2 3.7Å; A165-L178 HydrophobicContact CB-CD2 4.08Å; L169-L178 HydrophobicContact CD1-CD1 3.22Å; L169-L178 HydrophobicContact CD2-CD1 3.47Å; L169-L178 VanDerWaalsContact CD2-CD1 3.47Å; L169-L178 HydrophobicContact CG-CD1 3.25Å; L178-D180 VanDerWaalsContact C-N 3.28Å; L178-D180 PolarHBondContact O-N 3.31Å; L178-C181 WeakPolarHBondContact O-CA 3.35Å; L178-C181 VanDerWaalsContact O-CB 3.26Å; L178-C181 WeakPolarHBondContact O-CB 3.47Å; L178-C181 PolarHBondContact O-N 3.16Å; L178-V182 WeakPolarHBondContact O-CG2 3.36Å; L178-V182 PolarHBondContact O-N 3.31Å; L178-L187 HydrophobicContact CB-CD2 4.21Å; L178-L187 HydrophobicContact CD2-CD2 3.96Å; L178-L187 HydrophobicContact CG-CD2 3.81Å |
| 179 | E | 86.6 | Confident | 78.9 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -37.6 | 178.5 | -63.6 | 67.6 | -156 | 0 | 0 | 111 | A153 L154 S177 C181 V182 T183 | A153-E179 WeakPolarHBondContact CA-OE1 3.36Å; L154-E179 HydrophobicContact CG-CG 4.03Å; L154-E179 WeakPolarHBondContact CG-OE1 3.32Å; L154-E179 PolarHBondContact N-OE1 3.38Å; S177-E179 VanDerWaalsContact CB-OE2 3.23Å; S177-E179 WeakPolarHBondContact CB-OE2 3.44Å; S177-E179 PolarHBondContact O-N 3.22Å; S177-E179 PolarHBondContact OG-OE2 3.39Å; E179-C181 VanDerWaalsContact C-N 3.28Å; E179-C181 PolarHBondContact O-N 3.15Å; E179-V182 PolarHBondContact O-N 3.48Å; E179-T183 WeakPolarHBondContact O-CB 3.31Å; E179-T183 WeakPolarHBondContact O-CG2 3.37Å; E179-T183 PolarHBondContact O-N 3.3Å; E179-T183 PolarHBondContact O-OG1 2.69Å |
| 180 | D | 84.6 | Confident | 80 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.16 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 173.3 | -64.6 | -45 | 0 | 0 | 0 | 111.2 | F71 K151 S177 L178 T183 Q184 | F71-D180 HydrophobicContact CE2-CB 4.09Å; K151-D180 IonicContact NZ-OD1 3.79Å; K151-D180 PolarHBondContact NZ-OD1 3.07Å; K151-D180 IonicContact NZ-OD2 3.81Å; K151-D180 PolarHBondContact NZ-OD2 3.38Å; S177-D180 WeakPolarHBondContact CB-OD2 2.9Å; S177-D180 PolarHBondContact N-OD2 2.93Å; S177-D180 WeakPolarHBondContact O-CB 3.2Å; S177-D180 PolarHBondContact O-N 3.04Å; S177-D180 VanDerWaalsContact O-N 3.14Å; S177-D180 PolarHBondContact OG-N 3.18Å; S177-D180 PolarHBondContact OG-OD2 3.12Å; L178-D180 VanDerWaalsContact C-N 3.28Å; L178-D180 PolarHBondContact O-N 3.31Å; D180-T183 WeakPolarHBondContact CA-OG1 3.37Å; D180-T183 PolarHBondContact O-OG1 2.86Å; D180-Q184 VanDerWaalsContact O-CB 3.28Å; D180-Q184 WeakPolarHBondContact O-CB 3.4Å; D180-Q184 VanDerWaalsContact O-CG 3.22Å; D180-Q184 WeakPolarHBondContact O-CG 3.2Å; D180-Q184 PolarHBondContact O-N 3.38Å; D180-Q184 PolarHBondContact O-NE2 3.49Å |
| 181 | C | 84.9 | Confident | 81.4 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.8 | -38.3 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | M172 S177 L178 E179 G185 W186 L187 | M172-C181 WeakPolarHBondContact CE-SG 3.27Å; S177-C181 PolarHBondContact O-N 3.49Å; S177-C181 PolarHBondContact O-SG 3.16Å; L178-C181 WeakPolarHBondContact O-CA 3.35Å; L178-C181 VanDerWaalsContact O-CB 3.26Å; L178-C181 WeakPolarHBondContact O-CB 3.47Å; L178-C181 PolarHBondContact O-N 3.16Å; E179-C181 VanDerWaalsContact C-N 3.28Å; E179-C181 PolarHBondContact O-N 3.15Å; C181-G185 PolarHBondContact O-N 2.84Å; C181-W186 HydrophobicContact CB-CB 4.47Å; C181-W186 PolarHBondContact O-N 3.48Å; C181-L187 HydrophobicContact CB-CB 3.73Å; C181-L187 PolarHBondContact O-N 3.13Å; C181-L187 VanDerWaalsContact O-N 3.12Å |
| 182 | V | 87.6 | Confident | 83.1 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.6 | -50.4 | 175.9 | 174 | 0 | 0 | 0 | 0 | 110.7 | L134 L154 L178 E179 Q184 G185 L187 A189 | L134-V182 WeakPolarHBondContact CA-O 3.34Å; L154-V182 HydrophobicContact CD1-CG2 4.01Å; L178-V182 WeakPolarHBondContact O-CG2 3.36Å; L178-V182 PolarHBondContact O-N 3.31Å; E179-V182 PolarHBondContact O-N 3.48Å; V182-Q184 PolarHBondContact O-N 3.03Å; V182-G185 WeakPolarHBondContact O-CA 3.12Å; V182-G185 PolarHBondContact O-N 2.88Å; V182-L187 HydrophobicContact CG2-CB 4.15Å; V182-L187 HydrophobicContact CG2-CD2 4.1Å; V182-L187 HydrophobicContact CG2-CG 4.24Å; V182-A189 HydrophobicContact CG2-CB 3.63Å |
| 183 | T | 85.3 | Confident | 84.7 | Confident | 75 Ų | 75 | 32.7 Ų | 32.7 | 46% | 0.46 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.2 | -25.2 | -177.4 | 52.1 | 0 | 0 | 0 | 0 | 113 | E179 D180 G185 | E179-T183 WeakPolarHBondContact O-CB 3.31Å; E179-T183 WeakPolarHBondContact O-CG2 3.37Å; E179-T183 PolarHBondContact O-N 3.3Å; E179-T183 PolarHBondContact O-OG1 2.69Å; D180-T183 WeakPolarHBondContact CA-OG1 3.37Å; D180-T183 PolarHBondContact O-OG1 2.86Å; T183-G185 VanDerWaalsContact C-N 3.34Å |
| 184 | Q | 82.8 | Confident | 86.3 | Confident | 43 Ų | 43 | 28.9 Ų | 28.9 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.6 | 170.8 | -70.5 | 172.7 | 74.8 | 0 | 0 | 113.8 | C69 D180 V182 W186 | C69-Q184 PolarHBondContact SG-OE1 3.04Å; D180-Q184 VanDerWaalsContact O-CB 3.28Å; D180-Q184 WeakPolarHBondContact O-CB 3.4Å; D180-Q184 VanDerWaalsContact O-CG 3.22Å; D180-Q184 WeakPolarHBondContact O-CG 3.2Å; D180-Q184 PolarHBondContact O-N 3.38Å; D180-Q184 PolarHBondContact O-NE2 3.49Å; V182-Q184 PolarHBondContact O-N 3.03Å; Q184-W186 VanDerWaalsContact C-N 3.35Å |
| 185 | G | 82.5 | Confident | 87.8 | Confident | 28 Ų | 28 | 22.5 Ų | 22.5 | 29% | 0.289 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 10.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L134 C181 V182 T183 | L134-G185 VanDerWaalsContact CD2-CA 3.47Å; C181-G185 PolarHBondContact O-N 2.84Å; V182-G185 WeakPolarHBondContact O-CA 3.12Å; V182-G185 PolarHBondContact O-N 2.88Å; T183-G185 VanDerWaalsContact C-N 3.34Å |
| 186 | W | 81 | Confident | 89 | Confident | 84 Ų | 84 | 19.6 Ų | 19.6 | 32% | 0.318 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -78.4 | -46.7 | 177.7 | -75.1 | 91.3 | 0 | 0 | 0 | 111.9 | L7 L66 P67 C69 C181 Q184 | L7-W186 WeakPolarHBondContact CB-O 3.49Å; L7-W186 PolarHBondContact N-O 2.76Å; L66-W186 HydrophobicContact CB-CH2 4.42Å; L66-W186 HydrophobicContact CD1-CZ3 4.48Å; P67-W186 WeakPolarHBondContact O-CZ2 3.49Å; C69-W186 HydrophobicContact CB-CZ2 4.02Å; C181-W186 HydrophobicContact CB-CB 4.47Å; C181-W186 PolarHBondContact O-N 3.48Å; Q184-W186 VanDerWaalsContact C-N 3.35Å |
| 187 | L | 87.9 | Confident | 89.9 | Confident | 10 Ų | 10 | 20.6 Ų | 20.6 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -102.1 | 125.5 | -176.3 | -179 | 65.6 | 0 | 0 | 0 | 110.8 | A165 L178 C181 V182 A189 | A165-L187 HydrophobicContact CB-CD1 3.72Å; A165-L187 HydrophobicContact CB-CD2 3.92Å; L178-L187 HydrophobicContact CB-CD2 4.21Å; L178-L187 HydrophobicContact CD2-CD2 3.96Å; L178-L187 HydrophobicContact CG-CD2 3.81Å; C181-L187 HydrophobicContact CB-CB 3.73Å; C181-L187 PolarHBondContact O-N 3.13Å; C181-L187 VanDerWaalsContact O-N 3.12Å; V182-L187 HydrophobicContact CG2-CB 4.15Å; V182-L187 HydrophobicContact CG2-CD2 4.1Å; V182-L187 HydrophobicContact CG2-CG 4.24Å; L187-A189 PolarHBondContact O-N 3.38Å |
| 188 | C | 91.9 | Very high | 90.4 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.034 | 12% | 0.118 | C | C | . | . | trans | -82.2 | 97.2 | 166 | -62.8 | 0 | 0 | 0 | 0 | 108.2 | G6 L7 Y131 N161 M190 | G6-C188 VanDerWaalsContact CA-SG 3.6Å; L7-C188 PolarHBondContact O-N 2.99Å; Y131-C188 HydrophobicContact CD1-CB 4.18Å; Y131-C188 HydrophobicContact CD2-CB 3.88Å; Y131-C188 HydrophobicContact CE2-CB 4.23Å; Y131-C188 HydrophobicContact CG-CB 3.85Å; N161-C188 PolarHBondContact ND2-O 3.36Å; C188-M190 HydrophobicContact CB-CE 3.87Å; C188-M190 HydrophobicContact CB-CG 4.39Å; C188-M190 WeakPolarHBondContact O-CG 3.03Å; C188-M190 PolarHBondContact O-N 3.04Å; C188-M190 VanDerWaalsContact O-N 3.08Å | ||
| 189 | A | 93.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | trans | -68.6 | 105.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | Y131 L154 L159 V182 L187 | Y131-A189 WeakPolarHBondContact CB-O 3.34Å; L154-A189 HydrophobicContact CD1-CB 4.12Å; L154-A189 HydrophobicContact CD2-CB 4.27Å; L159-A189 HydrophobicContact CD1-CB 3.67Å; V182-A189 HydrophobicContact CG2-CB 3.63Å; L187-A189 PolarHBondContact O-N 3.38Å | ||
| 190 | M | 94.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -96.4 | 132.8 | -170.9 | -65.3 | -172.3 | 175.5 | 0 | 0 | 112.2 | V8 V24 V43 F123 F129 Y130 W160 N161 C188 | V8-M190 HydrophobicContact CB-CE 4.27Å; V8-M190 HydrophobicContact CG1-CE 4.19Å; V8-M190 HydrophobicContact CG1-SD 3.89Å; V8-M190 HydrophobicContact CG2-CE 3.49Å; V8-M190 VanDerWaalsContact CG2-CE 3.49Å; V8-M190 HydrophobicContact CG2-SD 4.26Å; V24-M190 HydrophobicContact CG2-CE 3.41Å; V24-M190 VanDerWaalsContact CG2-CE 3.41Å; V43-M190 HydrophobicContact CG1-CE 4.48Å; V43-M190 HydrophobicContact CG2-CE 3.61Å; V43-M190 HydrophobicContact CG2-SD 4.12Å; F123-M190 HydrophobicContact CD1-SD 4.49Å; F123-M190 HydrophobicContact CE1-SD 3.91Å; F129-M190 HydrophobicContact CD1-CB 4.44Å; Y130-M190 WeakPolarHBondContact O-CA 3.43Å; W160-M190 PolarHBondContact N-O 3.22Å; N161-M190 PolarHBondContact OD1-N 2.93Å; C188-M190 HydrophobicContact CB-CE 3.87Å; C188-M190 HydrophobicContact CB-CG 4.39Å; C188-M190 WeakPolarHBondContact O-CG 3.03Å; C188-M190 PolarHBondContact O-N 3.04Å; C188-M190 VanDerWaalsContact O-N 3.08Å |
| 191 | I | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 147.8 | 160.6 | 65.1 | 167.3 | 0 | 0 | 0 | 109.4 | F129 Y130 L137 T138 F158 V195 I208 R210 | F129-I191 WeakPolarHBondContact CA-O 3.46Å; Y130-I191 PolarHBondContact N-O 2.9Å; Y130-I191 PolarHBondContact O-N 2.7Å; L137-I191 HydrophobicContact CD2-CD1 3.79Å; L137-I191 HydrophobicContact CD2-CG1 3.94Å; L137-I191 HydrophobicContact CG-CD1 3.87Å; L137-I191 HydrophobicContact CG-CG1 4.31Å; T138-I191 HydrophobicContact CG2-CG2 3.9Å; F158-I191 HydrophobicContact CB-CG2 4.37Å; I191-V195 HydrophobicContact CD1-CG2 4.27Å; I191-I208 HydrophobicContact CD1-CG2 4.21Å; I191-R210 HydrophobicContact CD1-CG 3.99Å; I191-R210 HydrophobicContact CG2-CG 4.4Å |
| 192 | N | 96.9 | Very high | 90.7 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133.5 | 159.1 | -169.3 | -104.8 | 0 | 0 | 0 | 108.4 | S128 F129 W160 R211 Q444 | S128-N192 CarbonylContact O-C 3.54Å; S128-N192 WeakPolarHBondContact O-CA 3.37Å; F129-N192 HydrophobicContact CD1-CB 4.14Å; F129-N192 HydrophobicContact CE1-CB 3.81Å; F129-N192 WeakPolarHBondContact CE1-ND2 3.4Å; F129-N192 WeakPolarHBondContact CE2-ND2 3.47Å; F129-N192 HydrophobicContact CZ-CB 4.33Å; F129-N192 WeakPolarHBondContact CZ-ND2 3.48Å; W160-N192 HydrophobicContact CD2-CB 3.37Å; W160-N192 HydrophobicContact CE3-CB 3.96Å; W160-N192 HydrophobicContact CG-CB 3.67Å; W160-N192 HydrophobicContact CH2-CB 4.21Å; W160-N192 HydrophobicContact CZ2-CB 3.68Å; W160-N192 HydrophobicContact CZ3-CB 4.33Å; N192-R211 VanDerWaalsContact O-CB 3.32Å; N192-R211 WeakPolarHBondContact O-CB 3.38Å; N192-R211 PolarHBondContact O-N 2.87Å; N192-Q444 PolarHBondContact OD1-OE1 2.92Å |
| 193 | G | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.6 | -129.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S128 Y130 S209 Q444 | S128-G193 PolarHBondContact O-N 3.09Å; Y130-G193 WeakPolarHBondContact CE2-O 3.31Å; G193-S209 VanDerWaalsContact CA-O 3.31Å; G193-S209 WeakPolarHBondContact CA-O 3.36Å; G193-Q444 PolarHBondContact O-NE2 3.41Å |
| 194 | H | 97 | Very high | 91.4 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 138.8 | -175.7 | 179.1 | 78.1 | 0 | 0 | 0 | 111 | S196 I208 S209 S440 | H194-S196 VanDerWaalsContact NE2-CB 3.32Å; H194-S196 WeakPolarHBondContact NE2-CB 3.3Å; H194-S196 PolarHBondContact NE2-OG 3.46Å; H194-I208 CarbonylContact O-C 3.58Å; H194-I208 WeakPolarHBondContact O-CA 3.46Å; H194-S209 PolarHBondContact N-O 2.78Å; H194-S209 PolarHBondContact O-N 3.16Å; H194-S440 PolarHBondContact ND1-OG 2.99Å |
| 195 | V | 97.8 | Very high | 92 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.8 | 165.9 | -174.6 | 0 | 0 | 0 | 0 | 109 | V30 I40 Y130 L137 I191 I197 V207 I208 | V30-V195 HydrophobicContact CG1-CB 4.44Å; V30-V195 HydrophobicContact CG1-CG1 4.08Å; I40-V195 HydrophobicContact CD1-CG1 4.35Å; I40-V195 HydrophobicContact CG2-CB 4.39Å; I40-V195 HydrophobicContact CG2-CG1 4.05Å; I40-V195 HydrophobicContact CG2-CG2 4.42Å; Y130-V195 HydrophobicContact CD1-CB 3.65Å; Y130-V195 HydrophobicContact CD1-CG2 3.78Å; Y130-V195 HydrophobicContact CD2-CG2 4.31Å; Y130-V195 HydrophobicContact CE1-CB 3.9Å; Y130-V195 HydrophobicContact CE1-CG2 4.42Å; Y130-V195 HydrophobicContact CG-CB 4.11Å; Y130-V195 HydrophobicContact CG-CG2 3.72Å; L137-V195 HydrophobicContact CD2-CG2 4.15Å; I191-V195 HydrophobicContact CD1-CG2 4.27Å; V195-I197 HydrophobicContact CG1-CD1 4.42Å; V195-I197 HydrophobicContact CG1-CG1 4.17Å; V195-V207 WeakPolarHBondContact CA-O 3.4Å; V195-I208 HydrophobicContact CG1-CG1 4.18Å; V195-I208 HydrophobicContact CG2-CG1 4.49Å; V195-I208 HydrophobicContact CG2-CG2 4.27Å |
| 196 | S | 96 | Very high | 92.7 | Very high | 13 Ų | 13 | 31 Ų | 31 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 136.2 | 166.4 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | H194 A206 V207 A433 | H194-S196 VanDerWaalsContact NE2-CB 3.32Å; H194-S196 WeakPolarHBondContact NE2-CB 3.3Å; H194-S196 PolarHBondContact NE2-OG 3.46Å; S196-A206 CarbonylContact O-C 3.59Å; S196-A206 VanDerWaalsContact O-CA 3.26Å; S196-A206 WeakPolarHBondContact O-CA 3.35Å; S196-V207 PolarHBondContact N-O 3.44Å; S196-V207 VanDerWaalsContact N-O 3.1Å; S196-V207 PolarHBondContact O-N 3.45Å; S196-A433 WeakPolarHBondContact OG-CB 3.22Å |
| 197 | I | 95.4 | Very high | 93.6 | Very high | 29 Ų | 29 | 27 Ų | 27 | 15% | 0.149 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 115.5 | 178.3 | -53 | -178.1 | 0 | 0 | 0 | 107.1 | V30 Q32 I40 V195 I205 A206 | V30-I197 HydrophobicContact CG1-CG1 4.46Å; Q32-I197 WeakPolarHBondContact O-CD1 3.33Å; I40-I197 HydrophobicContact CD1-CD1 3.81Å; V195-I197 HydrophobicContact CG1-CD1 4.42Å; V195-I197 HydrophobicContact CG1-CG1 4.17Å; I197-I205 WeakPolarHBondContact CA-O 3.41Å; I197-A206 HydrophobicContact CG1-CB 3.9Å; I197-A206 HydrophobicContact CG2-CB 4.5Å |
| 198 | L | 93.1 | Very high | 94 | Very high | 54 Ų | 54 | 26.5 Ų | 26.5 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.5 | 179.5 | -60 | 174.7 | 0 | 0 | 0 | 108.6 | R204 I205 A429 A433 | L198-R204 CarbonylContact O-C 3.53Å; L198-R204 WeakPolarHBondContact O-CA 3.32Å; L198-I205 PolarHBondContact N-O 2.91Å; L198-I205 PolarHBondContact O-N 2.7Å; L198-A429 HydrophobicContact CB-CB 4.07Å; L198-A429 HydrophobicContact CD1-CB 3.99Å; L198-A429 WeakPolarHBondContact CD1-O 3.34Å; L198-A433 HydrophobicContact CD1-CB 3.89Å |
| 199 | A | 87.6 | Confident | 94.4 | Very high | 61 Ų | 61 | 26.3 Ų | 26.3 | 50% | 0.504 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.1 | -179 | 0 | 0 | 0 | 0 | 0 | 109.3 | V203 R204 | A199-V203 CarbonylContact C-O 3.43Å; A199-V203 WeakPolarHBondContact CA-O 3.24Å; A199-R204 HydrophobicContact CB-CG 4Å |
| 200 | E | 86.5 | Confident | 94.6 | Very high | 76 Ų | 76 | 26.2 Ų | 26.2 | 36% | 0.355 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 104.9 | 175.3 | -68.5 | -61.7 | 164.9 | 0 | 0 | 108.4 | N202 V203 V426 A429 | E200-N202 PolarHBondContact O-N 2.88Å; E200-V203 PolarHBondContact N-O 3Å; E200-V203 PolarHBondContact O-N 2.84Å; E200-V203 VanDerWaalsContact O-N 3.09Å; E200-V426 HydrophobicContact CB-CG2 4.15Å; E200-A429 HydrophobicContact CG-CB 3.75Å |
| 201 | G | 86.5 | Confident | 94.7 | Very high | 73 Ų | 73 | 26.3 Ų | 26.3 | 75% | 0.753 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -123.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V203 | G201-V203 VanDerWaalsContact C-N 3.34Š|
| 202 | N | 87.9 | Confident | 94.7 | Very high | 101 Ų | 101 | 26.7 Ų | 26.7 | 54% | 0.54 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -5.4 | 178.8 | -67.8 | -26.4 | 0 | 0 | 0 | 113.5 | E200 A243 F244 | E200-N202 PolarHBondContact O-N 2.88Å; N202-A243 WeakPolarHBondContact O-CA 3.32Å; N202-F244 HydrophobicContact CB-CE1 4.28Å; N202-F244 HydrophobicContact CB-CZ 4.47Å |
| 203 | V | 92 | Very high | 94.7 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.7 | -179.7 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | A199 E200 G201 I205 V241 L410 M415 | A199-V203 CarbonylContact C-O 3.43Å; A199-V203 WeakPolarHBondContact CA-O 3.24Å; E200-V203 PolarHBondContact N-O 3Å; E200-V203 PolarHBondContact O-N 2.84Å; E200-V203 VanDerWaalsContact O-N 3.09Å; G201-V203 VanDerWaalsContact C-N 3.34Å; V203-I205 HydrophobicContact CG1-CD1 4.38Å; V203-I205 HydrophobicContact CG1-CG1 3.9Å; V203-V241 HydrophobicContact CG1-CG1 3.87Å; V203-L410 HydrophobicContact CG1-CD2 3.98Å; V203-L410 HydrophobicContact CG2-CD2 4.11Å; V203-M415 HydrophobicContact CG2-CE 3.26Å; V203-M415 HydrophobicContact CG2-SD 3.64Å |
| 204 | R | 94.6 | Very high | 94.6 | Very high | 110 Ų | 110 | 31 Ų | 31 | 42% | 0.415 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.8 | 166.2 | -62.7 | -176.6 | -178 | 84.8 | -1.8 | 108.9 | L198 A199 V241 R242 | L198-R204 CarbonylContact O-C 3.53Å; L198-R204 WeakPolarHBondContact O-CA 3.32Å; A199-R204 HydrophobicContact CB-CG 4Å; R204-V241 CarbonylContact O-C 3.55Å; R204-V241 VanDerWaalsContact O-CA 3.31Å; R204-V241 WeakPolarHBondContact O-CA 3.47Å; R204-R242 HydrophobicContact CB-CB 4.42Å; R204-R242 PolarHBondContact N-O 3.12Å; R204-R242 PolarHBondContact O-N 3.3Å |
| 205 | I | 95.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.5 | 176.3 | -55.7 | 176.8 | 0 | 0 | 0 | 107.5 | I197 L198 V203 L406 V426 F430 | I197-I205 WeakPolarHBondContact CA-O 3.41Å; L198-I205 PolarHBondContact N-O 2.91Å; L198-I205 PolarHBondContact O-N 2.7Å; V203-I205 HydrophobicContact CG1-CD1 4.38Å; V203-I205 HydrophobicContact CG1-CG1 3.9Å; I205-L406 HydrophobicContact CD1-CD1 4.13Å; I205-L406 HydrophobicContact CD1-CD2 3.85Å; I205-L406 HydrophobicContact CG1-CD1 4.48Å; I205-V426 HydrophobicContact CD1-CG1 3.87Å; I205-F430 HydrophobicContact CD1-CB 4.21Å |
| 206 | A | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | P34 S196 I197 Q239 V240 | P34-A206 HydrophobicContact CG-CB 3.76Å; S196-A206 CarbonylContact O-C 3.59Å; S196-A206 VanDerWaalsContact O-CA 3.26Å; S196-A206 WeakPolarHBondContact O-CA 3.35Å; I197-A206 HydrophobicContact CG1-CB 3.9Å; I197-A206 HydrophobicContact CG2-CB 4.5Å; A206-Q239 WeakPolarHBondContact O-CA 3.37Å; A206-V240 HydrophobicContact CB-CB 4.25Å; A206-V240 PolarHBondContact N-O 3.32Å; A206-V240 PolarHBondContact O-N 2.55Å |
| 207 | V | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116 | 167.7 | 177.8 | 0 | 0 | 0 | 0 | 106.9 | V195 S196 T237 E238 A433 N437 | V195-V207 WeakPolarHBondContact CA-O 3.4Å; S196-V207 PolarHBondContact N-O 3.44Å; S196-V207 VanDerWaalsContact N-O 3.1Å; S196-V207 PolarHBondContact O-N 3.45Å; V207-T237 HydrophobicContact CG1-CG2 3.86Å; V207-E238 WeakPolarHBondContact CA-O 3.48Å; V207-A433 HydrophobicContact CB-CB 4.4Å; V207-A433 HydrophobicContact CG2-CB 3.79Å; V207-N437 HydrophobicContact CG1-CB 4.08Å |
| 208 | I | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 110.2 | -178.2 | -58.6 | 167.5 | 0 | 0 | 0 | 107.6 | L137 I191 H194 V195 R210 E238 V240 | L137-I208 HydrophobicContact CD1-CD1 4.26Å; L137-I208 HydrophobicContact CD1-CG2 4.26Å; I191-I208 HydrophobicContact CD1-CG2 4.21Å; H194-I208 CarbonylContact O-C 3.58Å; H194-I208 WeakPolarHBondContact O-CA 3.46Å; V195-I208 HydrophobicContact CG1-CG1 4.18Å; V195-I208 HydrophobicContact CG2-CG1 4.49Å; V195-I208 HydrophobicContact CG2-CG2 4.27Å; I208-R210 HydrophobicContact CG2-CG 4.32Å; I208-E238 PolarHBondContact N-O 2.79Å; I208-E238 PolarHBondContact O-N 3.16Å; I208-V240 HydrophobicContact CD1-CG2 4.37Å |
| 209 | S | 98.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.6 | 173.7 | -73.5 | 0 | 0 | 0 | 0 | 111 | G193 H194 E236 T237 N437 | G193-S209 VanDerWaalsContact CA-O 3.31Å; G193-S209 WeakPolarHBondContact CA-O 3.36Å; H194-S209 PolarHBondContact N-O 2.78Å; H194-S209 PolarHBondContact O-N 3.16Å; S209-E236 CarbonylContact C-O 3.58Å; S209-E236 VanDerWaalsContact CA-O 3.27Å; S209-E236 WeakPolarHBondContact CA-O 3.35Å; S209-T237 WeakPolarHBondContact OG-CB 3.46Å; S209-T237 VanDerWaalsContact OG-CG2 3.3Å; S209-T237 WeakPolarHBondContact OG-CG2 3.35Å; S209-T237 PolarHBondContact OG-OG1 3.42Å; S209-N437 VanDerWaalsContact CB-OD1 3.23Å; S209-N437 WeakPolarHBondContact CB-OD1 3.28Å; S209-N437 PolarHBondContact OG-OD1 3.05Å |
| 210 | R | 98 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.1 | -179.1 | -52.8 | 172.1 | -177.2 | 95.6 | 9.7 | 108.7 | L137 T138 N139 F158 I191 I208 V235 E236 E238 | L137-R210 PolarHBondContact O-NE 3.35Å; T138-R210 WeakPolarHBondContact O-CD 3.3Å; N139-R210 PolarHBondContact O-NH2 3.05Å; F158-R210 HydrophobicContact CB-CB 4Å; F158-R210 HydrophobicContact CD1-CB 3.57Å; F158-R210 HydrophobicContact CD2-CB 3.93Å; F158-R210 HydrophobicContact CE1-CB 3.96Å; F158-R210 VanDerWaalsContact CE1-O 3.23Å; F158-R210 WeakPolarHBondContact CE1-O 3.38Å; F158-R210 HydrophobicContact CE2-CB 4.25Å; F158-R210 HydrophobicContact CG-CB 3.56Å; F158-R210 HydrophobicContact CG-CG 4.43Å; F158-R210 HydrophobicContact CZ-CB 4.28Å; I191-R210 HydrophobicContact CD1-CG 3.99Å; I191-R210 HydrophobicContact CG2-CG 4.4Å; I208-R210 HydrophobicContact CG2-CG 4.32Å; R210-V235 WeakPolarHBondContact O-CA 3.45Å; R210-E236 IonicContact CZ-OE1 2.65Å; R210-E236 PolarHBondContact N-O 3.26Å; R210-E236 IonicContact NH1-OE1 3.19Å; R210-E236 PolarHBondContact NH1-OE1 2.64Å; R210-E236 PolarHBondContact O-N 3.28Å; R210-E238 IonicContact CZ-OE2 3.33Å; R210-E238 VanDerWaalsContact CZ-OE2 3.27Å; R210-E238 IonicContact NH1-OE2 3.12Å; R210-E238 PolarHBondContact NH1-OE2 3.25Å; R210-E238 IonicContact NH2-OE2 3.93Å; R210-E238 PolarHBondContact NH2-OE2 3.09Å |
| 211 | R | 97.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.3 | 177.5 | -172.3 | 170 | -176.1 | -114.3 | -2.1 | 110 | W160 N192 G217 N233 V235 Y445 | W160-R211 HydrophobicContact CZ2-CB 4.41Å; W160-R211 HydrophobicContact CZ2-CG 4.23Å; W160-R211 PolarHBondContact NE1-O 3.47Å; N192-R211 VanDerWaalsContact O-CB 3.32Å; N192-R211 WeakPolarHBondContact O-CB 3.38Å; N192-R211 PolarHBondContact O-N 2.87Å; R211-G217 PolarHBondContact NH2-O 2.8Å; R211-N233 PolarHBondContact NE-OD1 3.1Å; R211-V235 HydrophobicContact CB-CG2 4.2Å; R211-V235 HydrophobicContact CG-CG2 4.05Å; R211-Y445 VanDerWaalsContact NH2-CD2 3.34Å |
| 212 | S | 97.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 25 Ų | 25 | 5% | 0.049 | 11% | 0.114 | C | C | . | . | trans | -63.1 | 143 | 180 | -175 | 0 | 0 | 0 | 0 | 111.8 | R157 Y214 Y234 | R157-S212 CarbonylContact O-C 3.56Å; R157-S212 WeakPolarHBondContact O-CA 3.41Å; S212-Y214 VanDerWaalsContact C-N 3.34Å; S212-Y214 PolarHBondContact OG-N 2.89Å; S212-Y214 VanDerWaalsContact OG-N 3.09Å; S212-Y234 WeakPolarHBondContact CB-O 3.02Å; S212-Y234 PolarHBondContact N-O 3.08Å | ||
| 213 | V | 96.1 | Very high | 92.1 | Very high | 25 Ų | 25 | 20.4 Ų | 20.4 | 15% | 0.152 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -76.3 | -25.2 | 167.9 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | N156 R157 W160 A216 L495 | N156-V213 VanDerWaalsContact O-CG2 3.27Å; N156-V213 WeakPolarHBondContact O-CG2 3.29Å; R157-V213 PolarHBondContact O-N 3.06Å; W160-V213 HydrophobicContact CD2-CG1 4.3Å; W160-V213 HydrophobicContact CG-CG1 3.99Å; V213-A216 VanDerWaalsContact O-CB 3.3Å; V213-A216 WeakPolarHBondContact O-CB 3.43Å; V213-A216 PolarHBondContact O-N 2.78Å; V213-L495 HydrophobicContact CB-CD1 4.29Å; V213-L495 HydrophobicContact CB-CD2 4.07Å; V213-L495 HydrophobicContact CG1-CD2 3.88Å |
| 214 | Y | 95.1 | Very high | 92.2 | Very high | 73 Ų | 73 | 20.1 Ų | 20.1 | 29% | 0.286 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 132.8 | 179.3 | -55.3 | -58.4 | 0 | 0 | 0 | 111.2 | R157 S212 A216 F230 | R157-Y214 HydrophobicContact CB-CE2 4.26Å; R157-Y214 HydrophobicContact CG-CD2 4.26Å; R157-Y214 HydrophobicContact CG-CE2 3.73Å; S212-Y214 VanDerWaalsContact C-N 3.34Å; S212-Y214 PolarHBondContact OG-N 2.89Å; S212-Y214 VanDerWaalsContact OG-N 3.09Å; Y214-A216 PolarHBondContact O-N 2.77Å; Y214-A216 VanDerWaalsContact O-N 3.09Å; Y214-F230 HydrophobicContact CD1-CD2 4.18Å; Y214-F230 HydrophobicContact CD1-CE2 4.16Å; Y214-F230 AromaticContact CD2-CD1 3.79Å; Y214-F230 HydrophobicContact CD2-CD1 3.79Å; Y214-F230 HydrophobicContact CD2-CD2 4.46Å; Y214-F230 AromaticContact CD2-CE1 3.83Å; Y214-F230 HydrophobicContact CD2-CE1 3.83Å; Y214-F230 HydrophobicContact CD2-CE2 4.47Å; Y214-F230 HydrophobicContact CD2-CG 4.13Å; Y214-F230 HydrophobicContact CD2-CZ 4.18Å; Y214-F230 HydrophobicContact CE1-CE2 4.39Å; Y214-F230 HydrophobicContact CE2-CD1 4.43Å; Y214-F230 HydrophobicContact CE2-CE1 4.01Å; Y214-F230 HydrophobicContact CE2-CZ 4.13Å; Y214-F230 HydrophobicContact CG-CB 4.46Å; Y214-F230 HydrophobicContact CG-CD1 4.05Å; Y214-F230 AromaticContact CG-CD2 3.97Å; Y214-F230 HydrophobicContact CG-CD2 3.97Å; Y214-F230 HydrophobicContact CG-CE1 4.3Å; Y214-F230 HydrophobicContact CG-CE2 4.21Å; Y214-F230 AromaticContact CG-CG 3.88Å; Y214-F230 HydrophobicContact CG-CG 3.88Å; Y214-F230 HydrophobicContact CG-CZ 4.37Å |
| 215 | R | 92.7 | Very high | 92.3 | Very high | 64 Ų | 64 | 15 Ų | 15 | 24% | 0.242 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 33.4 | -168.5 | -74.5 | -174.1 | 74.6 | 72.3 | -0.5 | 113.5 | G217 R223 G224 D226 F230 A232 | R215-G217 PolarHBondContact O-N 3.07Å; R215-R223 PolarHBondContact NH2-O 3.35Å; R215-G224 PolarHBondContact NE-O 2.95Å; R215-G224 VanDerWaalsContact NE-O 3.15Å; R215-D226 HydrophobicContact CG-CB 4.26Å; R215-D226 WeakPolarHBondContact CG-OD2 3.45Å; R215-F230 WeakPolarHBondContact CD-O 3.43Å; R215-A232 HydrophobicContact CB-CB 4.2Å |
| 216 | A | 92.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 5% | 0.05 | 8% | 0.075 | C | C | . | . | trans | -62.7 | 134 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | W160 V213 Y214 Q488 I491 L495 | W160-A216 HydrophobicContact CH2-CB 4Å; W160-A216 HydrophobicContact CZ2-CB 4.21Å; V213-A216 VanDerWaalsContact O-CB 3.3Å; V213-A216 WeakPolarHBondContact O-CB 3.43Å; V213-A216 PolarHBondContact O-N 2.78Å; Y214-A216 PolarHBondContact O-N 2.77Å; Y214-A216 VanDerWaalsContact O-N 3.09Å; A216-Q488 PolarHBondContact O-NE2 3.46Å; A216-I491 HydrophobicContact CB-CG2 3.85Å; A216-L495 HydrophobicContact CB-CD1 3.59Å | ||
| 217 | G | 87.8 | Confident | 92.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | 174.3 | -173.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | R211 R215 Y445 | R211-G217 PolarHBondContact NH2-O 2.8Å; R215-G217 PolarHBondContact O-N 3.07Å; G217-Y445 VanDerWaalsContact O-CD2 3.27Å; G217-Y445 WeakPolarHBondContact O-CD2 3.26Å; G217-Y445 WeakPolarHBondContact O-CE2 2.67Å | ||
| 218 | T | 84.9 | Confident | 92.1 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | trans | -89.2 | 161.8 | -178.4 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | Y220 L221 K222 D484 R487 | T218-Y220 PolarHBondContact O-N 2.8Å; T218-L221 PolarHBondContact O-N 2.88Å; T218-L221 WeakPolarHBondContact OG1-CD1 3.4Å; T218-K222 PolarHBondContact O-N 2.89Å; T218-D484 VanDerWaalsContact CB-CG 3.46Å; T218-D484 WeakPolarHBondContact CB-OD2 3.23Å; T218-D484 HydrophobicContact CG2-CB 4.07Å; T218-D484 WeakPolarHBondContact CG2-O 3.34Å; T218-R487 HydrophobicContact CG2-CB 3.71Å | ||
| 219 | R | 81.7 | Confident | 92 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 3% | 0.034 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -50.8 | -168.3 | 177.9 | 178.1 | 156.5 | 141.2 | 0.4 | 115.4 | R223 E389 Y445 A446 | R219-R223 WeakPolarHBondContact O-CG 3.37Å; R219-R223 PolarHBondContact O-NE 3.44Å; R219-E389 IonicContact CZ-OE1 2.69Å; R219-E389 VanDerWaalsContact CZ-OE1 3.29Å; R219-E389 IonicContact CZ-OE2 3.98Å; R219-E389 IonicContact NH1-OE1 3.55Å; R219-E389 PolarHBondContact NH1-OE1 3.47Å; R219-E389 IonicContact NH1-OE2 3.91Å; R219-E389 PolarHBondContact NH1-OE2 3.01Å; R219-E389 IonicContact NH2-OE1 3.8Å; R219-E389 PolarHBondContact NH2-OE1 2.91Å; R219-E389 IonicContact NH2-OE2 2.67Å; R219-Y445 VanDerWaalsContact CA-CZ 3.45Å; R219-Y445 HydrophobicContact CB-CD1 4.22Å; R219-Y445 HydrophobicContact CB-CE1 4.06Å; R219-Y445 HydrophobicContact CB-CE2 4.48Å; R219-Y445 HydrophobicContact CG-CD1 4.47Å; R219-Y445 HydrophobicContact CG-CE1 4.09Å; R219-Y445 PolarHBondContact N-O 3.4Å; R219-Y445 VanDerWaalsContact N-O 3.08Å; R219-Y445 PolarHBondContact O-OH 2.88Å; R219-A446 HydrophobicContact CB-CB 4.47Å |
| 220 | Y | 77.6 | Confident | 92 | Very high | 25 Ų | 25 | 26.3 Ų | 26.3 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -14.9 | -175.3 | -64.2 | -76.5 | 0 | 0 | 0 | 113.7 | T218 Q263 | T218-Y220 PolarHBondContact O-N 2.8Å; Y220-Q263 WeakPolarHBondContact CD1-O 3.32Å |
| 221 | L | 80 | Confident | 91.9 | Very high | 52 Ų | 52 | 26.4 Ų | 26.4 | 27% | 0.272 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -33.4 | 178.7 | -61.5 | -178 | 0 | 0 | 0 | 112.9 | T218 D484 Q488 | T218-L221 PolarHBondContact O-N 2.88Å; T218-L221 WeakPolarHBondContact OG1-CD1 3.4Å; L221-D484 HydrophobicContact CD1-CB 4.41Å; L221-Q488 HydrophobicContact CD1-CB 3.86Å; L221-Q488 HydrophobicContact CD1-CG 4.3Å |
| 222 | K | 85.9 | Confident | 91.8 | Very high | 37 Ų | 37 | 26.2 Ų | 26.2 | 16% | 0.161 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -125.2 | 106.2 | 179.6 | -65.7 | -63 | -172.8 | -176.2 | 0 | 111.4 | T218 A232 Y445 E501 | T218-K222 PolarHBondContact O-N 2.89Å; K222-A232 HydrophobicContact CB-CB 4.29Å; K222-A232 WeakPolarHBondContact O-CB 3.33Å; K222-Y445 PolarHBondContact O-OH 2.9Å; K222-E501 IonicContact NZ-OE2 3.36Å |
| 223 | R | 91.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | trans | -138.9 | 162.3 | 172.8 | -66.3 | -177.2 | 170.4 | -80.1 | 16.8 | 110.7 | R215 R219 W261 V388 | R215-R223 PolarHBondContact NH2-O 3.35Å; R219-R223 WeakPolarHBondContact O-CG 3.37Å; R219-R223 PolarHBondContact O-NE 3.44Å; R223-W261 CarbonylContact C-O 3.58Å; R223-W261 HydrophobicContact CB-CD2 4.41Å; R223-W261 HydrophobicContact CB-CE3 4.43Å; R223-W261 HydrophobicContact CB-CH2 4.22Å; R223-W261 HydrophobicContact CB-CZ2 4.15Å; R223-W261 HydrophobicContact CB-CZ3 4.36Å; R223-W261 HydrophobicContact CG-CH2 4.33Å; R223-V388 PolarHBondContact NH1-O 3.49Å | ||
| 224 | G | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 73 | -167.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R215 A232 S256 A259 W261 | R215-G224 PolarHBondContact NE-O 2.95Å; R215-G224 VanDerWaalsContact NE-O 3.15Å; G224-A232 PolarHBondContact O-N 2.93Å; G224-S256 WeakPolarHBondContact CA-OG 3.36Å; G224-S256 PolarHBondContact N-OG 3.35Å; G224-A259 CarbonylContact C-O 3.48Å; G224-A259 WeakPolarHBondContact CA-O 3.4Å; G224-W261 VanDerWaalsContact CA-CD1 3.45Å; G224-W261 VanDerWaalsContact CA-NE1 3.32Å |
| 225 | I | 96.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -100 | 159.8 | -177.2 | -154 | 173.4 | 0 | 0 | 0 | 111.6 | F230 P258 A259 F260 A284 H288 | I225-F230 WeakPolarHBondContact CA-O 3.46Å; I225-P258 HydrophobicContact CD1-CB 4Å; I225-A259 WeakPolarHBondContact CG2-O 3.23Å; I225-A259 PolarHBondContact N-O 3.23Å; I225-F260 HydrophobicContact CG2-CD1 4.08Å; I225-F260 HydrophobicContact CG2-CD2 3.98Å; I225-F260 HydrophobicContact CG2-CE1 4.1Å; I225-F260 HydrophobicContact CG2-CE2 4Å; I225-F260 HydrophobicContact CG2-CG 4.02Å; I225-F260 HydrophobicContact CG2-CZ 4.06Å; I225-F260 WeakPolarHBondContact O-CD1 3.31Å; I225-F260 WeakPolarHBondContact O-CE1 3.24Å; I225-A284 HydrophobicContact CD1-CB 4.08Å; I225-A284 HydrophobicContact CG2-CB 4.29Å; I225-H288 HydrophobicContact CD1-CB 3.94Å |
| 226 | D | 95 | Very high | 92.1 | Very high | 32 Ų | 32 | 18.9 Ų | 18.9 | 17% | 0.171 | 10% | 0.102 | C | C | . | . | trans | -103.1 | -177.9 | 163.6 | 60 | 27.3 | 0 | 0 | 0 | 112.1 | R215 D228 G229 F230 A284 | R215-D226 HydrophobicContact CG-CB 4.26Å; R215-D226 WeakPolarHBondContact CG-OD2 3.45Å; D226-D228 PolarHBondContact O-N 3.49Å; D226-D228 PolarHBondContact OD1-N 3.35Å; D226-D228 VanDerWaalsContact OD1-N 3.12Å; D226-G229 PolarHBondContact O-N 3.39Å; D226-G229 PolarHBondContact OD1-N 2.66Å; D226-F230 PolarHBondContact N-O 2.97Å; D226-F230 VanDerWaalsContact N-O 3.08Å; D226-F230 PolarHBondContact OD1-N 3.05Å; D226-A284 WeakPolarHBondContact O-CB 3.42Å | ||
| 227 | A | 95.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 18.7 Ų | 18.7 | 48% | 0.479 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K287 | A227-K287 PolarHBondContact O-NZ 2.85Š|
| 228 | D | 96 | Very high | 92.9 | Very high | 94 Ų | 94 | 18.7 Ų | 18.7 | 50% | 0.503 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -10 | 179 | -64.1 | -42.9 | 0 | 0 | 0 | 112.2 | D226 F230 | D226-D228 PolarHBondContact O-N 3.49Å; D226-D228 PolarHBondContact OD1-N 3.35Å; D226-D228 VanDerWaalsContact OD1-N 3.12Å; D228-F230 HydrophobicContact CB-CD2 3.8Å; D228-F230 HydrophobicContact CB-CE2 3.65Å |
| 229 | G | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 99.1 | 6.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D226 H288 | D226-G229 PolarHBondContact O-N 3.39Å; D226-G229 PolarHBondContact OD1-N 2.66Å; G229-H288 WeakPolarHBondContact O-CB 3.25Å; G229-H288 PolarHBondContact O-ND1 3.41Å |
| 230 | F | 97.2 | Very high | 94.3 | Very high | 57 Ų | 57 | 18.2 Ų | 18.2 | 25% | 0.25 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -83 | 126.9 | 178.7 | -54.1 | -57.5 | 0 | 0 | 0 | 110.9 | Y214 R215 I225 D226 D228 | Y214-F230 HydrophobicContact CD1-CD2 4.18Å; Y214-F230 HydrophobicContact CD1-CE2 4.16Å; Y214-F230 AromaticContact CD2-CD1 3.79Å; Y214-F230 HydrophobicContact CD2-CD1 3.79Å; Y214-F230 HydrophobicContact CD2-CD2 4.46Å; Y214-F230 AromaticContact CD2-CE1 3.83Å; Y214-F230 HydrophobicContact CD2-CE1 3.83Å; Y214-F230 HydrophobicContact CD2-CE2 4.47Å; Y214-F230 HydrophobicContact CD2-CG 4.13Å; Y214-F230 HydrophobicContact CD2-CZ 4.18Å; Y214-F230 HydrophobicContact CE1-CE2 4.39Å; Y214-F230 HydrophobicContact CE2-CD1 4.43Å; Y214-F230 HydrophobicContact CE2-CE1 4.01Å; Y214-F230 HydrophobicContact CE2-CZ 4.13Å; Y214-F230 HydrophobicContact CG-CB 4.46Å; Y214-F230 HydrophobicContact CG-CD1 4.05Å; Y214-F230 AromaticContact CG-CD2 3.97Å; Y214-F230 HydrophobicContact CG-CD2 3.97Å; Y214-F230 HydrophobicContact CG-CE1 4.3Å; Y214-F230 HydrophobicContact CG-CE2 4.21Å; Y214-F230 AromaticContact CG-CG 3.88Å; Y214-F230 HydrophobicContact CG-CG 3.88Å; Y214-F230 HydrophobicContact CG-CZ 4.37Å; R215-F230 WeakPolarHBondContact CD-O 3.43Å; I225-F230 WeakPolarHBondContact CA-O 3.46Å; D226-F230 PolarHBondContact N-O 2.97Å; D226-F230 VanDerWaalsContact N-O 3.08Å; D226-F230 PolarHBondContact OD1-N 3.05Å; D228-F230 HydrophobicContact CB-CD2 3.8Å; D228-F230 HydrophobicContact CB-CE2 3.65Å |
| 231 | C | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 140.3 | 177.5 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | Y234 H288 R384 | C231-Y234 WeakPolarHBondContact O-CB 3.42Å; C231-H288 VanDerWaalsContact SG-CE1 3.58Å; C231-R384 PolarHBondContact SG-NH2 3.09Å; C231-R384 VanDerWaalsContact SG-NH2 3.36Å |
| 232 | A | 95 | Very high | 96 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 151.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R215 K222 G224 Y234 S256 | R215-A232 HydrophobicContact CB-CB 4.2Å; K222-A232 HydrophobicContact CB-CB 4.29Å; K222-A232 WeakPolarHBondContact O-CB 3.33Å; G224-A232 PolarHBondContact O-N 2.93Å; A232-Y234 PolarHBondContact O-N 2.95Å; A232-S256 VanDerWaalsContact O-CB 3.25Å; A232-S256 WeakPolarHBondContact O-CB 3.46Å; A232-S256 PolarHBondContact O-N 3.11Å |
| 233 | N | 93.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 36 | -178.5 | -158.8 | 37.6 | 0 | 0 | 0 | 114.1 | R211 V235 Y445 | R211-N233 PolarHBondContact NE-OD1 3.1Å; N233-V235 PolarHBondContact O-N 2.84Å; N233-Y445 HydrophobicContact CB-CD1 4.22Å; N233-Y445 HydrophobicContact CB-CD2 4.03Å; N233-Y445 HydrophobicContact CB-CE1 3.91Å; N233-Y445 HydrophobicContact CB-CE2 3.72Å; N233-Y445 HydrophobicContact CB-CG 4.26Å; N233-Y445 WeakPolarHBondContact ND2-CD1 3.49Å |
| 234 | Y | 97.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 5% | 0.047 | 10% | 0.1 | C | C | . | . | trans | -70.6 | 127.3 | 174.9 | -173.1 | -81.8 | 0 | 0 | 0 | 110.4 | F158 S212 C231 A232 V253 R254 Q292 Y296 | F158-Y234 HydrophobicContact CE1-CD1 4.35Å; F158-Y234 HydrophobicContact CE1-CE1 4.48Å; F158-Y234 HydrophobicContact CZ-CD1 4.46Å; F158-Y234 HydrophobicContact CZ-CE1 4.13Å; S212-Y234 WeakPolarHBondContact CB-O 3.02Å; S212-Y234 PolarHBondContact N-O 3.08Å; C231-Y234 WeakPolarHBondContact O-CB 3.42Å; A232-Y234 PolarHBondContact O-N 2.95Å; Y234-V253 HydrophobicContact CE2-CB 4.37Å; Y234-V253 WeakPolarHBondContact OH-CG1 3.36Å; Y234-R254 CarbonylContact C-O 3.59Å; Y234-R254 VanDerWaalsContact CA-O 3.28Å; Y234-R254 WeakPolarHBondContact CA-O 3.42Å; Y234-Q292 VanDerWaalsContact CE2-OE1 3.29Å; Y234-Q292 PolarHBondContact OH-OE1 2.75Å; Y234-Y296 VanDerWaalsContact OH-CE2 3.28Å; Y234-Y296 WeakPolarHBondContact OH-CE2 3.47Å; Y234-Y296 PolarHBondContact OH-OH 3.38Å | ||
| 235 | V | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.9 | 177.7 | -176 | 0 | 0 | 0 | 0 | 109.3 | R210 R211 N233 V253 R254 I441 | R210-V235 WeakPolarHBondContact O-CA 3.45Å; R211-V235 HydrophobicContact CB-CG2 4.2Å; R211-V235 HydrophobicContact CG-CG2 4.05Å; N233-V235 PolarHBondContact O-N 2.84Å; V235-V253 WeakPolarHBondContact O-CA 3.5Å; V235-R254 HydrophobicContact CB-CG 3.84Å; V235-R254 HydrophobicContact CG2-CG 4.45Å; V235-R254 PolarHBondContact N-O 3.42Å; V235-R254 PolarHBondContact O-N 2.94Å; V235-I441 HydrophobicContact CG1-CD1 4Å; V235-I441 HydrophobicContact CG1-CG1 4.47Å; V235-I441 HydrophobicContact CG2-CD1 4.41Å; V235-I441 HydrophobicContact CG2-CG2 4.08Å |
| 236 | E | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.9 | 168.2 | -175.2 | -170.1 | 99.7 | 0 | 0 | 108 | R157 F158 S209 R210 V251 V253 Y296 | R157-E236 IonicContact CZ-OE2 3.26Å; R157-E236 IonicContact NH1-OE2 3.29Å; R157-E236 PolarHBondContact NH1-OE2 2.8Å; R157-E236 VanDerWaalsContact NH1-OE2 3.09Å; R157-E236 IonicContact NH2-OE2 3.09Å; R157-E236 PolarHBondContact NH2-OE2 3.37Å; F158-E236 HydrophobicContact CE1-CB 4.26Å; F158-E236 HydrophobicContact CE2-CB 4.02Å; F158-E236 WeakPolarHBondContact CE2-OE2 3.13Å; F158-E236 HydrophobicContact CZ-CB 3.51Å; F158-E236 HydrophobicContact CZ-CG 4.42Å; S209-E236 CarbonylContact C-O 3.58Å; S209-E236 VanDerWaalsContact CA-O 3.27Å; S209-E236 WeakPolarHBondContact CA-O 3.35Å; R210-E236 IonicContact CZ-OE1 2.65Å; R210-E236 PolarHBondContact N-O 3.26Å; R210-E236 IonicContact NH1-OE1 3.19Å; R210-E236 PolarHBondContact NH1-OE1 2.64Å; R210-E236 PolarHBondContact O-N 3.28Å; E236-V251 HydrophobicContact CG-CG1 3.5Å; E236-V253 HydrophobicContact CB-CG1 4.36Å; E236-V253 HydrophobicContact CG-CG1 4.24Å; E236-Y296 HydrophobicContact CG-CE1 4.44Å; E236-Y296 WeakPolarHBondContact OE2-CE1 3.44Å; E236-Y296 PolarHBondContact OE2-OH 3.28Å |
| 237 | T | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.3 | 176.6 | -59.9 | 0 | 0 | 0 | 0 | 109 | V207 S209 L252 R254 W434 | V207-T237 HydrophobicContact CG1-CG2 3.86Å; S209-T237 WeakPolarHBondContact OG-CB 3.46Å; S209-T237 VanDerWaalsContact OG-CG2 3.3Å; S209-T237 WeakPolarHBondContact OG-CG2 3.35Å; S209-T237 PolarHBondContact OG-OG1 3.42Å; T237-L252 PolarHBondContact N-O 2.77Å; T237-L252 PolarHBondContact O-N 3.07Å; T237-R254 PolarHBondContact OG1-NH2 3.38Å; T237-W434 HydrophobicContact CG2-CH2 3.44Å; T237-W434 VanDerWaalsContact CG2-CH2 3.44Å; T237-W434 HydrophobicContact CG2-CZ2 4Å; T237-W434 HydrophobicContact CG2-CZ3 3.89Å |
| 238 | E | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.3 | 177.9 | -174.5 | -177.9 | -168 | 0 | 0 | 110.4 | S140 V141 V207 I208 R210 V240 S249 F250 V251 | S140-E238 VanDerWaalsContact CA-OE2 3.3Å; S140-E238 WeakPolarHBondContact CA-OE2 3.33Å; V141-E238 VanDerWaalsContact CB-OE1 3.3Å; V141-E238 WeakPolarHBondContact CB-OE1 3.5Å; V141-E238 WeakPolarHBondContact CG2-OE1 3.41Å; V141-E238 PolarHBondContact N-OE1 2.99Å; V207-E238 WeakPolarHBondContact CA-O 3.48Å; I208-E238 PolarHBondContact N-O 2.79Å; I208-E238 PolarHBondContact O-N 3.16Å; R210-E238 IonicContact CZ-OE2 3.33Å; R210-E238 VanDerWaalsContact CZ-OE2 3.27Å; R210-E238 IonicContact NH1-OE2 3.12Å; R210-E238 PolarHBondContact NH1-OE2 3.25Å; R210-E238 IonicContact NH2-OE2 3.93Å; R210-E238 PolarHBondContact NH2-OE2 3.09Å; E238-V240 HydrophobicContact CG-CG2 3.66Å; E238-S249 WeakPolarHBondContact CG-OG 3.44Å; E238-S249 WeakPolarHBondContact OE1-CB 3.42Å; E238-S249 PolarHBondContact OE1-OG 3.19Å; E238-F250 WeakPolarHBondContact CA-O 3.29Å; E238-V251 HydrophobicContact CB-CG2 4.16Å; E238-V251 HydrophobicContact CG-CG2 3.96Å |
| 239 | Q | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 116.4 | 166.6 | 172.4 | 173.1 | -66.6 | 0 | 0 | 109.1 | A206 V241 S249 F250 A402 F430 | A206-Q239 WeakPolarHBondContact O-CA 3.37Å; Q239-V241 HydrophobicContact CG-CG2 4.17Å; Q239-S249 CarbonylContact O-C 3Å; Q239-S249 WeakPolarHBondContact O-CA 3.41Å; Q239-F250 PolarHBondContact N-O 3.28Å; Q239-F250 PolarHBondContact O-N 2.78Å; Q239-A402 PolarHBondContact NE2-O 2.87Å; Q239-F430 VanDerWaalsContact OE1-CE2 3.27Å |
| 240 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126 | 175.7 | -170 | 0 | 0 | 0 | 0 | 109.5 | P34 V141 A206 I208 E238 V247 S248 | P34-V240 HydrophobicContact CB-CG1 3.62Å; P34-V240 HydrophobicContact CG-CB 4.09Å; P34-V240 HydrophobicContact CG-CG1 3.74Å; V141-V240 HydrophobicContact CG2-CG1 4.18Å; V141-V240 HydrophobicContact CG2-CG2 4.05Å; A206-V240 HydrophobicContact CB-CB 4.25Å; A206-V240 PolarHBondContact N-O 3.32Å; A206-V240 PolarHBondContact O-N 2.55Å; I208-V240 HydrophobicContact CD1-CG2 4.37Å; E238-V240 HydrophobicContact CG-CG2 3.66Å; V240-V247 HydrophobicContact CG1-CG1 3.57Å; V240-S248 CarbonylContact C-O 3.58Å; V240-S248 VanDerWaalsContact CA-O 3.22Å; V240-S248 WeakPolarHBondContact CA-O 3.17Å; V240-S248 WeakPolarHBondContact CG1-O 3.43Å |
| 241 | V | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | V203 R204 Q239 V247 S248 L406 L410 F413 | V203-V241 HydrophobicContact CG1-CG1 3.87Å; R204-V241 CarbonylContact O-C 3.55Å; R204-V241 VanDerWaalsContact O-CA 3.31Å; R204-V241 WeakPolarHBondContact O-CA 3.47Å; Q239-V241 HydrophobicContact CG-CG2 4.17Å; V241-V247 CarbonylContact O-C 3.54Å; V241-V247 WeakPolarHBondContact O-CA 3.3Å; V241-S248 WeakPolarHBondContact CB-OG 3.43Å; V241-S248 PolarHBondContact N-O 3.12Å; V241-S248 PolarHBondContact O-N 3.45Å; V241-L406 HydrophobicContact CG1-CD1 4.31Å; V241-L406 HydrophobicContact CG2-CD1 3.49Å; V241-L406 VanDerWaalsContact CG2-CD1 3.49Å; V241-L410 HydrophobicContact CG1-CD2 4.01Å; V241-F413 HydrophobicContact CG1-CE2 4.3Å |
| 242 | R | 95.6 | Very high | 96.4 | Very high | 27 Ų | 27 | 14.7 Ų | 14.7 | 10% | 0.102 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.5 | 173.1 | 175.7 | 168.2 | -178.7 | -156.9 | -9.6 | 110.7 | P34 K37 R204 D245 H246 V247 | P34-R242 HydrophobicContact CB-CB 3.97Å; P34-R242 WeakPolarHBondContact O-CD 3.36Å; P34-R242 PolarHBondContact O-NH1 2.85Å; P34-R242 VanDerWaalsContact O-NH1 3.09Å; K37-R242 VanDerWaalsContact CE-NH2 3.34Å; R204-R242 HydrophobicContact CB-CB 4.42Å; R204-R242 PolarHBondContact N-O 3.12Å; R204-R242 PolarHBondContact O-N 3.3Å; R242-D245 IonicContact CZ-OD1 3.51Å; R242-D245 IonicContact NE-OD1 3.65Å; R242-D245 IonicContact NH2-OD1 2.73Å; R242-D245 PolarHBondContact NH2-OD1 2.8Å; R242-H246 VanDerWaalsContact CA-O 3.29Å; R242-H246 WeakPolarHBondContact CA-O 3.48Å; R242-H246 WeakPolarHBondContact CG-O 3.15Å; R242-V247 HydrophobicContact CB-CG2 4.21Å; R242-V247 HydrophobicContact CG-CG2 4.05Å |
| 243 | A | 93.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 142.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | N202 D245 H246 F413 M415 | N202-A243 WeakPolarHBondContact O-CA 3.32Å; A243-D245 PolarHBondContact O-N 2.77Å; A243-D245 VanDerWaalsContact O-N 3.1Å; A243-H246 PolarHBondContact N-O 2.79Å; A243-H246 VanDerWaalsContact N-O 3.11Å; A243-H246 WeakPolarHBondContact O-CB 3.48Å; A243-H246 PolarHBondContact O-N 2.06Å; A243-F413 HydrophobicContact CB-CD2 3.87Å; A243-F413 HydrophobicContact CB-CE2 4.39Å; A243-M415 HydrophobicContact CB-CE 4.47Å; A243-M415 HydrophobicContact CB-SD 3.33Å; A243-M415 WeakPolarHBondContact CB-SD 3.45Å |
| 244 | F | 89.7 | Confident | 96.8 | Very high | 111 Ų | 111 | 14.5 Ų | 14.5 | 49% | 0.487 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 40.8 | 178.8 | -52 | -63.8 | 0 | 0 | 0 | 114.3 | N202 H246 M415 | N202-F244 HydrophobicContact CB-CE1 4.28Å; N202-F244 HydrophobicContact CB-CZ 4.47Å; F244-H246 PolarHBondContact O-CD2 2.93Å; F244-H246 VanDerWaalsContact O-CD2 3.29Å; F244-H246 PolarHBondContact O-N 3Å; F244-M415 HydrophobicContact CD2-CG 4.27Å; F244-M415 HydrophobicContact CD2-SD 4.14Å; F244-M415 HydrophobicContact CE2-CE 3.91Å; F244-M415 HydrophobicContact CE2-CG 3.65Å; F244-M415 HydrophobicContact CE2-SD 3.7Å; F244-M415 HydrophobicContact CZ-CE 4.23Å |
| 245 | D | 90.3 | Very high | 96.7 | Very high | 95 Ų | 95 | 14 Ų | 14 | 51% | 0.508 | 7% | 0.067 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 4.9 | -175.6 | -63.7 | -50.8 | 0 | 0 | 0 | 116.8 | R242 A243 K371 | R242-D245 IonicContact CZ-OD1 3.51Å; R242-D245 IonicContact NE-OD1 3.65Å; R242-D245 IonicContact NH2-OD1 2.73Å; R242-D245 PolarHBondContact NH2-OD1 2.8Å; A243-D245 PolarHBondContact O-N 2.77Å; A243-D245 VanDerWaalsContact O-N 3.1Å; D245-K371 HydrophobicContact CB-CB 4.36Å |
| 246 | H | 95.1 | Very high | 96.5 | Very high | 41 Ų | 41 | 14 Ų | 14 | 19% | 0.19 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 144.7 | 161.9 | -64.9 | -85.5 | 0 | 0 | 0 | 110.3 | R242 A243 F244 W368 F413 | R242-H246 VanDerWaalsContact CA-O 3.29Å; R242-H246 WeakPolarHBondContact CA-O 3.48Å; R242-H246 WeakPolarHBondContact CG-O 3.15Å; A243-H246 PolarHBondContact N-O 2.79Å; A243-H246 VanDerWaalsContact N-O 3.11Å; A243-H246 WeakPolarHBondContact O-CB 3.48Å; A243-H246 PolarHBondContact O-N 2.06Å; F244-H246 PolarHBondContact O-CD2 2.93Å; F244-H246 VanDerWaalsContact O-CD2 3.29Å; F244-H246 PolarHBondContact O-N 3Å; H246-W368 AromaticContact CG-NE1 3.6Å; H246-W368 AromaticContact ND1-CE2 3.67Å; H246-W368 AromaticContact ND1-CZ2 3.7Å; H246-W368 AromaticContact ND1-NE1 3.1Å; H246-W368 PolarHBondContact ND1-NE1 3.06Å; H246-F413 HydrophobicContact CB-CD1 4.03Å; H246-F413 HydrophobicContact CB-CE1 3.66Å; H246-F413 HydrophobicContact CB-CE2 4.32Å; H246-F413 HydrophobicContact CB-CZ 3.79Å |
| 247 | V | 96.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 14 Ų | 14 | 4% | 0.042 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.9 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | P34 V240 V241 R242 V369 | P34-V247 HydrophobicContact CB-CG1 4.4Å; V240-V247 HydrophobicContact CG1-CG1 3.57Å; V241-V247 CarbonylContact O-C 3.54Å; V241-V247 WeakPolarHBondContact O-CA 3.3Å; R242-V247 HydrophobicContact CB-CG2 4.21Å; R242-V247 HydrophobicContact CG-CG2 4.05Å; V247-V369 HydrophobicContact CB-CB 4.32Å; V247-V369 PolarHBondContact N-O 3.1Å; V247-V369 PolarHBondContact O-N 3.05Å |
| 248 | S | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 147.1 | 168.9 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | V240 V241 C367 Q409 | V240-S248 CarbonylContact C-O 3.58Å; V240-S248 VanDerWaalsContact CA-O 3.22Å; V240-S248 WeakPolarHBondContact CA-O 3.17Å; V240-S248 WeakPolarHBondContact CG1-O 3.43Å; V241-S248 WeakPolarHBondContact CB-OG 3.43Å; V241-S248 PolarHBondContact N-O 3.12Å; V241-S248 PolarHBondContact O-N 3.45Å; S248-C367 CarbonylContact C-O 3.46Å; S248-C367 WeakPolarHBondContact CA-O 3.25Å; S248-Q409 VanDerWaalsContact OG-CD 3.22Å; S248-Q409 WeakPolarHBondContact OG-CG 3.36Å; S248-Q409 PolarHBondContact OG-NE2 2.84Å |
| 249 | S | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.007 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134 | 174.5 | 165.3 | 0 | 0 | 0 | 0 | 110.3 | E238 Q239 F366 C367 | E238-S249 WeakPolarHBondContact CG-OG 3.44Å; E238-S249 WeakPolarHBondContact OE1-CB 3.42Å; E238-S249 PolarHBondContact OE1-OG 3.19Å; Q239-S249 CarbonylContact O-C 3Å; Q239-S249 WeakPolarHBondContact O-CA 3.41Å; S249-F366 WeakPolarHBondContact O-CB 3.37Å; S249-C367 PolarHBondContact N-O 2.98Å; S249-C367 PolarHBondContact O-N 2.88Å |
| 250 | F | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125 | 175 | 179.1 | -114.8 | 0 | 0 | 0 | 110.2 | E238 Q239 L252 M364 F366 F383 I401 K405 | E238-F250 WeakPolarHBondContact CA-O 3.29Å; Q239-F250 PolarHBondContact N-O 3.28Å; Q239-F250 PolarHBondContact O-N 2.78Å; F250-L252 HydrophobicContact CD1-CD1 4.4Å; F250-L252 HydrophobicContact CD1-CD2 4.46Å; F250-L252 HydrophobicContact CD1-CG 4.09Å; F250-L252 HydrophobicContact CE1-CD1 3.89Å; F250-L252 HydrophobicContact CE1-CD2 3.51Å; F250-L252 HydrophobicContact CE1-CG 3.56Å; F250-L252 HydrophobicContact CZ-CD2 3.71Å; F250-L252 HydrophobicContact CZ-CG 4.22Å; F250-M364 HydrophobicContact CE2-SD 4.03Å; F250-M364 HydrophobicContact CZ-SD 4.43Å; F250-F366 HydrophobicContact CB-CB 4.3Å; F250-F366 HydrophobicContact CD2-CB 4.27Å; F250-F383 HydrophobicContact CZ-CD2 4.27Å; F250-I401 HydrophobicContact CE1-CG2 4.1Å; F250-I401 HydrophobicContact CZ-CG2 4.18Å; F250-K405 HydrophobicContact CB-CG 3.89Å; F250-K405 HydrophobicContact CD1-CB 3.94Å; F250-K405 HydrophobicContact CD1-CG 3.7Å; F250-K405 HydrophobicContact CD2-CD 4.14Å; F250-K405 HydrophobicContact CD2-CG 3.79Å; F250-K405 HydrophobicContact CE1-CB 4Å; F250-K405 HydrophobicContact CE1-CG 4.07Å; F250-K405 HydrophobicContact CE2-CD 4.39Å; F250-K405 HydrophobicContact CE2-CG 4.2Å; F250-K405 HydrophobicContact CG-CB 4.3Å; F250-K405 HydrophobicContact CG-CD 4.37Å; F250-K405 HydrophobicContact CG-CG 3.54Å; F250-K405 HydrophobicContact CZ-CB 4.46Å; F250-K405 HydrophobicContact CZ-CG 4.32Å |
| 251 | V | 98.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.03 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.4 | -175.5 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | E236 E238 V253 Y296 Q379 | E236-V251 HydrophobicContact CG-CG1 3.5Å; E238-V251 HydrophobicContact CB-CG2 4.16Å; E238-V251 HydrophobicContact CG-CG2 3.96Å; V251-V253 HydrophobicContact CG1-CG1 4.32Å; V251-Y296 HydrophobicContact CG1-CD1 4.24Å; V251-Y296 HydrophobicContact CG1-CE1 3.9Å; V251-Q379 PolarHBondContact O-NE2 3.03Å |
| 252 | L | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144 | 170.6 | -66.5 | 170.8 | 0 | 0 | 0 | 108.8 | T237 F250 F383 Q398 I401 A402 W434 | T237-L252 PolarHBondContact N-O 2.77Å; T237-L252 PolarHBondContact O-N 3.07Å; F250-L252 HydrophobicContact CD1-CD1 4.4Å; F250-L252 HydrophobicContact CD1-CD2 4.46Å; F250-L252 HydrophobicContact CD1-CG 4.09Å; F250-L252 HydrophobicContact CE1-CD1 3.89Å; F250-L252 HydrophobicContact CE1-CD2 3.51Å; F250-L252 HydrophobicContact CE1-CG 3.56Å; F250-L252 HydrophobicContact CZ-CD2 3.71Å; F250-L252 HydrophobicContact CZ-CG 4.22Å; L252-F383 HydrophobicContact CD2-CB 3.67Å; L252-F383 HydrophobicContact CD2-CD2 4.01Å; L252-F383 HydrophobicContact CD2-CG 4.22Å; L252-Q398 HydrophobicContact CB-CG 4.46Å; L252-Q398 HydrophobicContact CD1-CB 4Å; L252-Q398 HydrophobicContact CD1-CG 4.25Å; L252-I401 HydrophobicContact CD1-CG2 4.44Å; L252-I401 HydrophobicContact CD2-CG2 3.95Å; L252-A402 HydrophobicContact CD1-CB 4.07Å; L252-W434 HydrophobicContact CD1-CH2 3.91Å; L252-W434 HydrophobicContact CD1-CZ2 4.41Å |
| 253 | V | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.1 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 111 | Y234 V235 E236 V251 Y296 V382 F383 R384 V385 Q398 | Y234-V253 HydrophobicContact CE2-CB 4.37Å; Y234-V253 WeakPolarHBondContact OH-CG1 3.36Å; V235-V253 WeakPolarHBondContact O-CA 3.5Å; E236-V253 HydrophobicContact CB-CG1 4.36Å; E236-V253 HydrophobicContact CG-CG1 4.24Å; V251-V253 HydrophobicContact CG1-CG1 4.32Å; V253-Y296 HydrophobicContact CG1-CE1 4.23Å; V253-Y296 HydrophobicContact CG1-CE2 3.84Å; V253-Y296 WeakPolarHBondContact CG1-OH 3.3Å; V253-V382 HydrophobicContact CB-CG2 4.39Å; V253-V382 HydrophobicContact CG1-CG2 3.95Å; V253-V382 HydrophobicContact CG2-CG1 4.17Å; V253-V382 HydrophobicContact CG2-CG2 3.85Å; V253-F383 PolarHBondContact N-O 3.2Å; V253-R384 HydrophobicContact CG2-CB 3.69Å; V253-R384 HydrophobicContact CG2-CG 3.99Å; V253-R384 CarbonylContact O-C 3.6Å; V253-R384 VanDerWaalsContact O-CA 3.28Å; V253-R384 WeakPolarHBondContact O-CA 3.32Å; V253-V385 PolarHBondContact O-N 3.1Å; V253-Q398 VanDerWaalsContact C-NE2 3.29Å; V253-Q398 PolarHBondContact O-NE2 2.84Å |
| 254 | R | 97.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153 | 174 | 72.5 | -176.1 | 96.8 | -168.7 | -0.2 | 109.2 | Y234 V235 T237 V385 C390 N395 N437 | Y234-R254 CarbonylContact C-O 3.59Å; Y234-R254 VanDerWaalsContact CA-O 3.28Å; Y234-R254 WeakPolarHBondContact CA-O 3.42Å; V235-R254 HydrophobicContact CB-CG 3.84Å; V235-R254 HydrophobicContact CG2-CG 4.45Å; V235-R254 PolarHBondContact N-O 3.42Å; V235-R254 PolarHBondContact O-N 2.94Å; T237-R254 PolarHBondContact OG1-NH2 3.38Å; R254-V385 VanDerWaalsContact CA-O 3.28Å; R254-V385 WeakPolarHBondContact CA-O 3.36Å; R254-V385 VanDerWaalsContact CB-O 3.31Å; R254-V385 WeakPolarHBondContact CB-O 3.42Å; R254-C390 VanDerWaalsContact CB-SG 3.53Å; R254-N395 PolarHBondContact NH1-OD1 3.1Å; R254-N437 PolarHBondContact NH2-ND2 3.33Å |
| 255 | G | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -172.5 | 174.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N386 C390 | G255-N386 WeakPolarHBondContact O-CB 3.18Å; G255-C390 VanDerWaalsContact C-SG 3.55Å; G255-C390 PolarHBondContact N-SG 3.28Å; G255-C390 PolarHBondContact O-SG 3.37Å | ||
| 256 | S | 95.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -57.3 | 154.8 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | G224 A232 W261 R384 | G224-S256 WeakPolarHBondContact CA-OG 3.36Å; G224-S256 PolarHBondContact N-OG 3.35Å; A232-S256 VanDerWaalsContact O-CB 3.25Å; A232-S256 WeakPolarHBondContact O-CB 3.46Å; A232-S256 PolarHBondContact O-N 3.11Å; S256-W261 WeakPolarHBondContact OG-CZ2 3.49Å; S256-W261 PolarHBondContact OG-NE1 3.1Å; S256-R384 PolarHBondContact O-NH2 2.86Å |
| 257 | V | 96.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -52.7 | 130.5 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | A259 W261 I306 L315 Y319 | V257-A259 HydrophobicContact CG1-CB 4.32Å; V257-A259 PolarHBondContact O-N 2.71Å; V257-W261 PolarHBondContact O-NE1 2.82Å; V257-I306 HydrophobicContact CG2-CD1 3.5Å; V257-I306 HydrophobicContact CG2-CG1 4.41Å; V257-L315 HydrophobicContact CB-CD1 4.03Å; V257-L315 HydrophobicContact CB-CD2 4.29Å; V257-L315 HydrophobicContact CB-CG 4.22Å; V257-L315 HydrophobicContact CG1-CD1 3.82Å; V257-L315 HydrophobicContact CG1-CG 4.15Å; V257-L315 HydrophobicContact CG2-CD1 4.41Å; V257-L315 HydrophobicContact CG2-CD2 3.89Å; V257-L315 HydrophobicContact CG2-CG 4.04Å; V257-Y319 HydrophobicContact CG1-CD1 3.94Å; V257-Y319 HydrophobicContact CG1-CD2 4.28Å; V257-Y319 HydrophobicContact CG1-CG 3.78Å | ||
| 258 | P | 96.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -80 | 57.7 | -172.3 | 34.9 | -35.1 | 0 | 0 | 0 | 111.3 | I225 F285 Y319 | I225-P258 HydrophobicContact CD1-CB 4Å; P258-F285 HydrophobicContact CB-CD2 3.96Å; P258-F285 HydrophobicContact CB-CE2 4.31Å; P258-F285 HydrophobicContact CG-CD2 3.7Å; P258-F285 HydrophobicContact CG-CE2 3.61Å; P258-Y319 VanDerWaalsContact CD-CE2 3.48Å; P258-Y319 HydrophobicContact CG-CD2 4.06Å; P258-Y319 HydrophobicContact CG-CE2 3.39Å |
| 259 | A | 97.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -133.4 | 161 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G224 I225 V257 W261 T281 V318 L322 | G224-A259 CarbonylContact C-O 3.48Å; G224-A259 WeakPolarHBondContact CA-O 3.4Å; I225-A259 WeakPolarHBondContact CG2-O 3.23Å; I225-A259 PolarHBondContact N-O 3.23Å; V257-A259 HydrophobicContact CG1-CB 4.32Å; V257-A259 PolarHBondContact O-N 2.71Å; A259-W261 PolarHBondContact O-N 2.74Å; A259-W261 VanDerWaalsContact O-N 3.15Å; A259-T281 HydrophobicContact CB-CG2 4.05Å; A259-V318 HydrophobicContact CB-CG1 3.86Å; A259-L322 HydrophobicContact CB-CD1 4.03Å |
| 260 | F | 96.9 | Very high | 85.1 | Confident | 23 Ų | 23 | 28 Ų | 28 | 10% | 0.101 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -78.1 | 99.5 | 172.4 | -70.9 | -79.2 | 0 | 0 | 0 | 109.5 | I225 L275 K276 T281 A284 | I225-F260 HydrophobicContact CG2-CD1 4.08Å; I225-F260 HydrophobicContact CG2-CD2 3.98Å; I225-F260 HydrophobicContact CG2-CE1 4.1Å; I225-F260 HydrophobicContact CG2-CE2 4Å; I225-F260 HydrophobicContact CG2-CG 4.02Å; I225-F260 HydrophobicContact CG2-CZ 4.06Å; I225-F260 WeakPolarHBondContact O-CD1 3.31Å; I225-F260 WeakPolarHBondContact O-CE1 3.24Å; F260-L275 HydrophobicContact CB-CB 4.24Å; F260-L275 PolarHBondContact O-N 3.11Å; F260-K276 HydrophobicContact CB-CB 3.91Å; F260-K276 HydrophobicContact CB-CD 4.27Å; F260-K276 HydrophobicContact CB-CG 3.81Å; F260-K276 HydrophobicContact CD1-CD 4.25Å; F260-K276 HydrophobicContact CD2-CB 4.09Å; F260-K276 HydrophobicContact CD2-CD 3.66Å; F260-K276 HydrophobicContact CD2-CG 4.08Å; F260-K276 HydrophobicContact CE2-CD 3.99Å; F260-K276 HydrophobicContact CG-CB 4.23Å; F260-K276 HydrophobicContact CG-CD 3.8Å; F260-K276 HydrophobicContact CG-CG 3.92Å; F260-K276 HydrophobicContact CZ-CD 4.42Å; F260-T281 HydrophobicContact CD2-CG2 3.96Å; F260-A284 HydrophobicContact CE2-CB 3.77Å; F260-A284 HydrophobicContact CZ-CB 3.9Å |
| 261 | W | 95.2 | Very high | 83.9 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.011 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 157.1 | 178.6 | 70.8 | -80.7 | 0 | 0 | 0 | 112.1 | R223 G224 S256 V257 A259 Q263 P272 L273 I274 L315 V388 | R223-W261 CarbonylContact C-O 3.58Å; R223-W261 HydrophobicContact CB-CD2 4.41Å; R223-W261 HydrophobicContact CB-CE3 4.43Å; R223-W261 HydrophobicContact CB-CH2 4.22Å; R223-W261 HydrophobicContact CB-CZ2 4.15Å; R223-W261 HydrophobicContact CB-CZ3 4.36Å; R223-W261 HydrophobicContact CG-CH2 4.33Å; G224-W261 VanDerWaalsContact CA-CD1 3.45Å; G224-W261 VanDerWaalsContact CA-NE1 3.32Å; S256-W261 WeakPolarHBondContact OG-CZ2 3.49Å; S256-W261 PolarHBondContact OG-NE1 3.1Å; V257-W261 PolarHBondContact O-NE1 2.82Å; A259-W261 PolarHBondContact O-N 2.74Å; A259-W261 VanDerWaalsContact O-N 3.15Å; W261-Q263 HydrophobicContact CE3-CB 4.49Å; W261-Q263 HydrophobicContact CZ3-CB 4.04Å; W261-P272 HydrophobicContact CE3-CB 3.79Å; W261-P272 HydrophobicContact CZ3-CB 4.01Å; W261-P272 HydrophobicContact CZ3-CG 4.28Å; W261-L273 CarbonylContact C-O 3.55Å; W261-L273 WeakPolarHBondContact CA-O 3.27Å; W261-L273 WeakPolarHBondContact CB-O 3.27Å; W261-I274 HydrophobicContact CB-CD1 3.89Å; W261-L315 HydrophobicContact CB-CD1 4.09Å; W261-L315 HydrophobicContact CD2-CD1 3.79Å; W261-L315 HydrophobicContact CD2-CD2 3.84Å; W261-L315 HydrophobicContact CD2-CG 4.49Å; W261-L315 HydrophobicContact CE3-CD1 4.46Å; W261-L315 HydrophobicContact CE3-CD2 3.94Å; W261-L315 HydrophobicContact CG-CD1 3.57Å; W261-L315 HydrophobicContact CH2-CD2 3.77Å; W261-L315 HydrophobicContact CZ2-CD2 3.69Å; W261-L315 HydrophobicContact CZ3-CD2 3.88Å; W261-V388 HydrophobicContact CH2-CG1 3.81Å; W261-V388 HydrophobicContact CZ3-CG1 4.2Å |
| 262 | T | 90.2 | Very high | 83.4 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 165.1 | 176.5 | -168 | 0 | 0 | 0 | 0 | 110.3 | R264 L273 L275 | T262-R264 WeakPolarHBondContact OG1-CG 3.32Å; T262-L273 HydrophobicContact CG2-CB 4.01Å; T262-L273 HydrophobicContact CG2-CD2 4.13Å; T262-L273 HydrophobicContact CG2-CG 4.43Å; T262-L273 PolarHBondContact N-O 3.42Å; T262-L273 PolarHBondContact O-N 3.4Å; T262-L275 HydrophobicContact CG2-CD1 4.19Å; T262-L275 HydrophobicContact CG2-CD2 3.75Å; T262-L275 HydrophobicContact CG2-CG 4.11Å |
| 263 | Q | 81 | Confident | 83 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | trans | -142.2 | 57.5 | 176.5 | -163 | -178.1 | 34.8 | 0 | 0 | 108.1 | Y220 W261 P270 | Y220-Q263 WeakPolarHBondContact CD1-O 3.32Å; W261-Q263 HydrophobicContact CE3-CB 4.49Å; W261-Q263 HydrophobicContact CZ3-CB 4.04Å; Q263-P270 VanDerWaalsContact CD-O 3.29Å; Q263-P270 HydrophobicContact CG-CB 4.27Å; Q263-P270 HydrophobicContact CG-CG 4.1Å; Q263-P270 WeakPolarHBondContact CG-O 3.3Å; Q263-P270 PolarHBondContact NE2-O 2.91Å | ||
| 264 | R | 72.8 | Confident | 82.8 | Confident | 163 Ų | 163 | 38.6 Ų | 38.6 | 62% | 0.615 | 19% | 0.188 | S | C | * | . | trans | -84.9 | 156.9 | 177.8 | -72.2 | 178.2 | -175.1 | -168.4 | 1.7 | 110.5 | T262 | T262-R264 WeakPolarHBondContact OG1-CG 3.32Š| ||
| 265 | G | 62.9 | Low | 82.6 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 128.8 | 161.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K267 | G265-K267 VanDerWaalsContact C-N 3.33Š|
| 266 | Y | 61.8 | Low | 82.5 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -82.4 | -13.6 | -175.8 | -49.5 | -76.2 | 0 | 0 | 0 | 113.9 | Y477 H481 E513 K516 W517 C520 | Y266-Y477 VanDerWaalsContact O-CE2 3.28Å; Y266-Y477 WeakPolarHBondContact O-CE2 3.45Å; Y266-Y477 PolarHBondContact O-OH 3.38Å; Y266-H481 WeakPolarHBondContact CA-NE2 3.35Å; Y266-H481 AromaticContact CD1-CD2 3.69Å; Y266-H481 AromaticContact CD1-NE2 3.82Å; Y266-E513 HydrophobicContact CE1-CB 4.34Å; Y266-E513 VanDerWaalsContact CE1-O 3.28Å; Y266-E513 WeakPolarHBondContact CE1-O 3.23Å; Y266-E513 WeakPolarHBondContact OH-CA 3.39Å; Y266-E513 WeakPolarHBondContact OH-CB 3.32Å; Y266-E513 WeakPolarHBondContact OH-CG 3.46Å; Y266-K516 HydrophobicContact CD2-CB 4.11Å; Y266-K516 HydrophobicContact CE2-CB 3.55Å; Y266-K516 HydrophobicContact CE2-CD 4.1Å; Y266-K516 HydrophobicContact CE2-CG 4.45Å; Y266-W517 HydrophobicContact CD1-CB 3.57Å; Y266-W517 AromaticContact CD1-CD1 4Å; Y266-W517 HydrophobicContact CD1-CG 4.21Å; Y266-W517 HydrophobicContact CE1-CB 3.86Å; Y266-W517 HydrophobicContact CG-CB 4.41Å; Y266-C520 WeakPolarHBondContact CB-SG 3.36Å |
| 267 | K | 59.6 | Low | 82.4 | Confident | 139 Ų | 139 | 50.4 Ų | 50.4 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -65.6 | 137.2 | -178.8 | -59.4 | -164.4 | 175.4 | -177.4 | 0 | 110.3 | G265 R269 P270 E524 | G265-K267 VanDerWaalsContact C-N 3.33Å; K267-R269 PolarHBondContact O-N 2.67Å; K267-R269 VanDerWaalsContact O-N 3.1Å; K267-P270 WeakPolarHBondContact O-CD 3.36Å; K267-P270 WeakPolarHBondContact O-CG 3.2Å; K267-E524 VanDerWaalsContact CA-CD 3.45Å; K267-E524 WeakPolarHBondContact CA-OE1 3.45Å; K267-E524 WeakPolarHBondContact CG-OE1 3.48Å |
| 268 | Y | 57.9 | Low | 82.3 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -59.9 | 114.2 | 172.6 | -177.9 | -100.5 | 0 | 0 | 0 | 108.9 | Y477 E524 Q527 M528 D531 | Y268-Y477 AromaticContact CD2-CD2 3.73Å; Y268-Y477 HydrophobicContact CD2-CD2 3.73Å; Y268-Y477 HydrophobicContact CD2-CE2 4.34Å; Y268-Y477 AromaticContact CD2-CG 3.88Å; Y268-Y477 HydrophobicContact CD2-CG 3.88Å; Y268-Y477 HydrophobicContact CE2-CG 4.47Å; Y268-E524 VanDerWaalsContact CB-OE2 3.27Å; Y268-E524 WeakPolarHBondContact CB-OE2 3.36Å; Y268-E524 PolarHBondContact N-OE2 3.41Å; Y268-Q527 HydrophobicContact CD1-CG 4.15Å; Y268-M528 HydrophobicContact CD2-CB 3.78Å; Y268-M528 HydrophobicContact CD2-CG 4.1Å; Y268-M528 HydrophobicContact CE2-CB 3.79Å; Y268-M528 HydrophobicContact CE2-CG 3.72Å; Y268-M528 HydrophobicContact CG-CB 4.36Å; Y268-D531 HydrophobicContact CE1-CB 4.23Å; Y268-D531 WeakPolarHBondContact CE1-OD2 3.41Å |
| 269 | R | 67.6 | Low | 82 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 53.9 | 70.7 | -172 | -59.9 | -179.9 | 175.1 | 153.9 | 1.1 | 112 | K267 D531 | K267-R269 PolarHBondContact O-N 2.67Å; K267-R269 VanDerWaalsContact O-N 3.1Å; R269-D531 IonicContact CZ-OD2 2.73Å; R269-D531 IonicContact NH1-OD2 3.24Å; R269-D531 PolarHBondContact NH1-OD2 3.26Å; R269-D531 VanDerWaalsContact NH1-OD2 3.12Å |
| 270 | P | 68.2 | Low | 81.8 | Confident | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 149.8 | 178.8 | 5.4 | 4.9 | 0 | 0 | 0 | 110.1 | Q263 K267 | Q263-P270 VanDerWaalsContact CD-O 3.29Å; Q263-P270 HydrophobicContact CG-CB 4.27Å; Q263-P270 HydrophobicContact CG-CG 4.1Å; Q263-P270 WeakPolarHBondContact CG-O 3.3Å; Q263-P270 PolarHBondContact NE2-O 2.91Å; K267-P270 WeakPolarHBondContact O-CD 3.36Å; K267-P270 WeakPolarHBondContact O-CG 3.2Å |
| 271 | P | 73.8 | Confident | 81.9 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 145.7 | 174.2 | 27.4 | -33.8 | 0 | 0 | 0 | 111 | L273 K311 | P271-L273 PolarHBondContact O-N 3.25Å; P271-K311 HydrophobicContact CB-CB 4.18Å; P271-K311 HydrophobicContact CB-CD 4.48Å |
| 272 | P | 87 | Confident | 82 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 7% | 0.071 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 132.3 | 169.1 | -23 | 35.1 | 0 | 0 | 0 | 111.4 | W261 K311 L315 | W261-P272 HydrophobicContact CE3-CB 3.79Å; W261-P272 HydrophobicContact CZ3-CB 4.01Å; W261-P272 HydrophobicContact CZ3-CG 4.28Å; P272-K311 WeakPolarHBondContact CD-O 3.48Å; P272-L315 HydrophobicContact CB-CB 4.2Å; P272-L315 HydrophobicContact CB-CD2 4.29Å; P272-L315 HydrophobicContact CG-CB 4.42Å; P272-L315 HydrophobicContact CG-CD2 4.34Å |
| 273 | L | 89.9 | Confident | 82.3 | Confident | 106 Ų | 106 | 66 Ų | 66 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.1 | 172.3 | 178.1 | 66.4 | 0 | 0 | 0 | 109.2 | W261 T262 P271 L275 | W261-L273 CarbonylContact C-O 3.55Å; W261-L273 WeakPolarHBondContact CA-O 3.27Å; W261-L273 WeakPolarHBondContact CB-O 3.27Å; T262-L273 HydrophobicContact CG2-CB 4.01Å; T262-L273 HydrophobicContact CG2-CD2 4.13Å; T262-L273 HydrophobicContact CG2-CG 4.43Å; T262-L273 PolarHBondContact N-O 3.42Å; T262-L273 PolarHBondContact O-N 3.4Å; P271-L273 PolarHBondContact O-N 3.25Å; L273-L275 HydrophobicContact CD2-CD2 4.09Å; L273-L275 HydrophobicContact CG-CD2 4.3Å |
| 274 | I | 94.6 | Very high | 83.2 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.3 | 172.9 | -50.7 | -56.8 | 0 | 0 | 0 | 108.2 | W261 K276 L315 V318 | W261-I274 HydrophobicContact CB-CD1 3.89Å; I274-K276 VanDerWaalsContact CG2-O 3.26Å; I274-K276 WeakPolarHBondContact CG2-O 3.28Å; I274-L315 HydrophobicContact CD1-CB 4.39Å; I274-L315 HydrophobicContact CD1-CD1 3.78Å; I274-V318 HydrophobicContact CD1-CG2 4.19Å; I274-V318 HydrophobicContact CG1-CG2 4.07Å; I274-V318 HydrophobicContact CG2-CG2 4.22Å |
| 275 | L | 93.3 | Very high | 84.4 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | trans | -95.7 | -26.2 | -171.6 | -66.1 | 177.3 | 0 | 0 | 0 | 113.6 | F260 T262 L273 | F260-L275 HydrophobicContact CB-CB 4.24Å; F260-L275 PolarHBondContact O-N 3.11Å; T262-L275 HydrophobicContact CG2-CD1 4.19Å; T262-L275 HydrophobicContact CG2-CD2 3.75Å; T262-L275 HydrophobicContact CG2-CG 4.11Å; L273-L275 HydrophobicContact CD2-CD2 4.09Å; L273-L275 HydrophobicContact CG-CD2 4.3Å | ||
| 276 | K | 93.9 | Very high | 86.1 | Confident | 87 Ų | 87 | 62 Ų | 62 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -132.4 | 153.2 | 179.9 | -60.3 | -162.7 | -178.5 | -174 | 0 | 110.5 | F260 I274 E280 | F260-K276 HydrophobicContact CB-CB 3.91Å; F260-K276 HydrophobicContact CB-CD 4.27Å; F260-K276 HydrophobicContact CB-CG 3.81Å; F260-K276 HydrophobicContact CD1-CD 4.25Å; F260-K276 HydrophobicContact CD2-CB 4.09Å; F260-K276 HydrophobicContact CD2-CD 3.66Å; F260-K276 HydrophobicContact CD2-CG 4.08Å; F260-K276 HydrophobicContact CE2-CD 3.99Å; F260-K276 HydrophobicContact CG-CB 4.23Å; F260-K276 HydrophobicContact CG-CD 3.8Å; F260-K276 HydrophobicContact CG-CG 3.92Å; F260-K276 HydrophobicContact CZ-CD 4.42Å; I274-K276 VanDerWaalsContact CG2-O 3.26Å; I274-K276 WeakPolarHBondContact CG2-O 3.28Å; K276-E280 HydrophobicContact CB-CB 4.04Å; K276-E280 HydrophobicContact CD-CB 4.24Å |
| 277 | S | 93.8 | Very high | 87.8 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | trans | -62.7 | 164.5 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 111.5 | A279 E280 T281 | S277-A279 VanDerWaalsContact C-N 3.31Å; S277-A279 PolarHBondContact O-N 3.29Å; S277-E280 VanDerWaalsContact CB-OE2 3.3Å; S277-E280 WeakPolarHBondContact CB-OE2 3.3Å; S277-E280 PolarHBondContact N-OE2 3.35Å; S277-E280 PolarHBondContact O-N 3.38Å; S277-E280 VanDerWaalsContact OG-CD 3.31Å; S277-E280 VanDerWaalsContact OG-CG 3.26Å; S277-E280 WeakPolarHBondContact OG-CG 3.49Å; S277-E280 PolarHBondContact OG-N 3.47Å; S277-E280 PolarHBondContact OG-OE2 3.28Å; S277-T281 WeakPolarHBondContact O-CB 3.41Å; S277-T281 PolarHBondContact O-N 2.85Å; S277-T281 PolarHBondContact O-OG1 2.8Å | ||
| 278 | K | 92.6 | Very high | 89.6 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 37% | 0.365 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 177.6 | -61 | 173.1 | -172.2 | 173.7 | 0 | 111.3 | E280 T281 M282 D321 | K278-E280 PolarHBondContact O-N 3.23Å; K278-T281 PolarHBondContact O-N 3.03Å; K278-M282 PolarHBondContact O-N 3.37Å; K278-D321 HydrophobicContact CD-CB 3.87Å; K278-D321 VanDerWaalsContact CE-OD2 3.29Å; K278-D321 WeakPolarHBondContact CE-OD2 3.2Å; K278-D321 IonicContact NZ-OD2 3.4Å; K278-D321 PolarHBondContact NZ-OD2 3.45Å |
| 279 | A | 92.3 | Very high | 91.6 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 69% | 0.694 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S277 T281 M282 | S277-A279 VanDerWaalsContact C-N 3.31Å; S277-A279 PolarHBondContact O-N 3.29Å; A279-T281 VanDerWaalsContact C-N 3.3Å; A279-T281 PolarHBondContact O-N 2.99Å; A279-M282 WeakPolarHBondContact O-CB 3.29Å; A279-M282 PolarHBondContact O-N 3.23Å |
| 280 | E | 93 | Very high | 93 | Very high | 118 Ų | 118 | 55.6 Ų | 55.6 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.5 | -30.8 | 176.9 | -67.2 | 167.2 | 118.5 | 0 | 0 | 112.7 | K276 S277 K278 | K276-E280 HydrophobicContact CB-CB 4.04Å; K276-E280 HydrophobicContact CD-CB 4.24Å; S277-E280 VanDerWaalsContact CB-OE2 3.3Å; S277-E280 WeakPolarHBondContact CB-OE2 3.3Å; S277-E280 PolarHBondContact N-OE2 3.35Å; S277-E280 PolarHBondContact O-N 3.38Å; S277-E280 VanDerWaalsContact OG-CD 3.31Å; S277-E280 VanDerWaalsContact OG-CG 3.26Å; S277-E280 WeakPolarHBondContact OG-CG 3.49Å; S277-E280 PolarHBondContact OG-N 3.47Å; S277-E280 PolarHBondContact OG-OE2 3.28Å; K278-E280 PolarHBondContact O-N 3.23Å |
| 281 | T | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.5 | -29.8 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | A259 F260 S277 K278 A279 A283 A284 F285 L322 | A259-T281 HydrophobicContact CB-CG2 4.05Å; F260-T281 HydrophobicContact CD2-CG2 3.96Å; S277-T281 WeakPolarHBondContact O-CB 3.41Å; S277-T281 PolarHBondContact O-N 2.85Å; S277-T281 PolarHBondContact O-OG1 2.8Å; K278-T281 PolarHBondContact O-N 3.03Å; A279-T281 VanDerWaalsContact C-N 3.3Å; A279-T281 PolarHBondContact O-N 2.99Å; T281-A283 VanDerWaalsContact C-N 3.3Å; T281-A283 PolarHBondContact O-N 3.07Å; T281-A284 PolarHBondContact O-N 2.96Å; T281-A284 VanDerWaalsContact O-N 3.13Å; T281-F285 PolarHBondContact O-N 2.91Å; T281-L322 HydrophobicContact CG2-CD1 3.76Å; T281-L322 HydrophobicContact CG2-CD2 4.03Å |
| 282 | M | 98 | Very high | 95.6 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.8 | -39.4 | -172.2 | -173.2 | 57 | 72 | 0 | 0 | 113.6 | K278 A279 A284 F285 R286 L322 D325 | K278-M282 PolarHBondContact O-N 3.37Å; A279-M282 WeakPolarHBondContact O-CB 3.29Å; A279-M282 PolarHBondContact O-N 3.23Å; M282-A284 PolarHBondContact O-N 2.97Å; M282-F285 PolarHBondContact O-N 2.84Å; M282-F285 HydrophobicContact SD-CD1 4Å; M282-R286 HydrophobicContact CG-CG 4.41Å; M282-R286 WeakPolarHBondContact O-CG 3.15Å; M282-R286 PolarHBondContact O-N 2.96Å; M282-R286 HydrophobicContact SD-CG 4.15Å; M282-L322 HydrophobicContact CE-CD2 3.84Å; M282-L322 WeakPolarHBondContact CE-O 3.36Å; M282-L322 HydrophobicContact SD-CD2 4.35Å; M282-D325 HydrophobicContact CE-CB 3.46Å; M282-D325 VanDerWaalsContact CE-CB 3.46Å |
| 283 | A | 97.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 55% | 0.554 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T281 K287 | T281-A283 VanDerWaalsContact C-N 3.3Å; T281-A283 PolarHBondContact O-N 3.07Å; A283-K287 WeakPolarHBondContact O-CG 3.35Å; A283-K287 PolarHBondContact O-N 3.23Å |
| 284 | A | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.1 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I225 D226 F260 T281 M282 H288 | I225-A284 HydrophobicContact CD1-CB 4.08Å; I225-A284 HydrophobicContact CG2-CB 4.29Å; D226-A284 WeakPolarHBondContact O-CB 3.42Å; F260-A284 HydrophobicContact CE2-CB 3.77Å; F260-A284 HydrophobicContact CZ-CB 3.9Å; T281-A284 PolarHBondContact O-N 2.96Å; T281-A284 VanDerWaalsContact O-N 3.13Å; M282-A284 PolarHBondContact O-N 2.97Å; A284-H288 WeakPolarHBondContact O-CB 3.24Å; A284-H288 PolarHBondContact O-N 2.95Å |
| 285 | F | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.3 | 179.2 | -106.2 | 0 | 0 | 0 | 112.1 | P258 T281 M282 H288 V289 L302 Y319 L322 V323 I331 | P258-F285 HydrophobicContact CB-CD2 3.96Å; P258-F285 HydrophobicContact CB-CE2 4.31Å; P258-F285 HydrophobicContact CG-CD2 3.7Å; P258-F285 HydrophobicContact CG-CE2 3.61Å; T281-F285 PolarHBondContact O-N 2.91Å; M282-F285 PolarHBondContact O-N 2.84Å; M282-F285 HydrophobicContact SD-CD1 4Å; F285-H288 WeakPolarHBondContact O-CB 3.16Å; F285-H288 PolarHBondContact O-N 2.78Å; F285-V289 HydrophobicContact CD1-CG2 4.41Å; F285-V289 HydrophobicContact CE1-CG2 3.92Å; F285-V289 HydrophobicContact CE2-CG2 4.08Å; F285-V289 HydrophobicContact CZ-CG2 3.74Å; F285-V289 WeakPolarHBondContact O-CG2 3.31Å; F285-V289 PolarHBondContact O-N 2.91Å; F285-L302 HydrophobicContact CZ-CD1 4.47Å; F285-Y319 HydrophobicContact CE2-CD2 4.46Å; F285-Y319 AromaticContact CE2-CE2 3.89Å; F285-Y319 HydrophobicContact CE2-CE2 3.89Å; F285-Y319 HydrophobicContact CZ-CE2 4.48Å; F285-L322 HydrophobicContact CB-CD2 4.32Å; F285-L322 HydrophobicContact CD1-CB 4.09Å; F285-L322 HydrophobicContact CD2-CB 4.36Å; F285-L322 HydrophobicContact CD2-CD1 4.34Å; F285-L322 HydrophobicContact CE1-CB 4.2Å; F285-L322 WeakPolarHBondContact CE1-O 3.4Å; F285-L322 HydrophobicContact CG-CB 4.17Å; F285-L322 HydrophobicContact CG-CD1 4.41Å; F285-L322 HydrophobicContact CG-CD2 4.46Å; F285-L322 HydrophobicContact CZ-CB 4.41Å; F285-V323 HydrophobicContact CZ-CG2 3.98Å; F285-I331 HydrophobicContact CE1-CD1 4.44Å; F285-I331 HydrophobicContact CZ-CD1 4.37Å |
| 286 | R | 98.3 | Very high | 96.6 | Very high | 127 Ų | 127 | 53 Ų | 53 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.7 | -74.3 | -180 | 178.3 | 172.1 | -1 | 112.1 | M282 H288 V289 D290 | M282-R286 HydrophobicContact CG-CG 4.41Å; M282-R286 WeakPolarHBondContact O-CG 3.15Å; M282-R286 PolarHBondContact O-N 2.96Å; M282-R286 HydrophobicContact SD-CG 4.15Å; R286-H288 VanDerWaalsContact C-N 3.27Å; R286-H288 PolarHBondContact O-N 2.9Å; R286-V289 PolarHBondContact O-N 3.08Å; R286-V289 VanDerWaalsContact O-N 3.12Å; R286-D290 PolarHBondContact O-N 3.16Å |
| 287 | K | 98.1 | Very high | 96.7 | Very high | 94 Ų | 94 | 50.1 Ų | 50.1 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -53.5 | -46 | 172.4 | -73 | -179 | -177.7 | 179.7 | 0 | 111.7 | A227 A283 V289 D290 D291 | A227-K287 PolarHBondContact O-NZ 2.85Å; A283-K287 WeakPolarHBondContact O-CG 3.35Å; A283-K287 PolarHBondContact O-N 3.23Å; K287-V289 PolarHBondContact O-N 3.44Å; K287-D290 PolarHBondContact O-N 3.4Å; K287-D291 WeakPolarHBondContact O-CB 3.4Å; K287-D291 VanDerWaalsContact O-CG 3.3Å; K287-D291 PolarHBondContact O-N 3.08Å |
| 288 | H | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 177.6 | -179.4 | 68.5 | 0 | 0 | 0 | 112.6 | I225 G229 C231 A284 F285 R286 D291 Q292 R384 | I225-H288 HydrophobicContact CD1-CB 3.94Å; G229-H288 WeakPolarHBondContact O-CB 3.25Å; G229-H288 PolarHBondContact O-ND1 3.41Å; C231-H288 VanDerWaalsContact SG-CE1 3.58Å; A284-H288 WeakPolarHBondContact O-CB 3.24Å; A284-H288 PolarHBondContact O-N 2.95Å; F285-H288 WeakPolarHBondContact O-CB 3.16Å; F285-H288 PolarHBondContact O-N 2.78Å; R286-H288 VanDerWaalsContact C-N 3.27Å; R286-H288 PolarHBondContact O-N 2.9Å; H288-D291 PolarHBondContact O-N 3.15Å; H288-Q292 VanDerWaalsContact O-CG 3.29Å; H288-Q292 WeakPolarHBondContact O-CG 3.25Å; H288-Q292 PolarHBondContact O-N 3.07Å; H288-R384 PolarHBondContact NE2-NE 2.84Å; H288-R384 PolarHBondContact NE2-NH2 3.09Å |
| 289 | V | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -49.4 | 178.1 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | F285 R286 K287 D291 Q292 I293 L300 D328 I331 | F285-V289 HydrophobicContact CD1-CG2 4.41Å; F285-V289 HydrophobicContact CE1-CG2 3.92Å; F285-V289 HydrophobicContact CE2-CG2 4.08Å; F285-V289 HydrophobicContact CZ-CG2 3.74Å; F285-V289 WeakPolarHBondContact O-CG2 3.31Å; F285-V289 PolarHBondContact O-N 2.91Å; R286-V289 PolarHBondContact O-N 3.08Å; R286-V289 VanDerWaalsContact O-N 3.12Å; K287-V289 PolarHBondContact O-N 3.44Å; V289-D291 VanDerWaalsContact C-N 3.32Å; V289-D291 PolarHBondContact O-N 2.98Å; V289-Q292 PolarHBondContact O-N 2.92Å; V289-I293 HydrophobicContact CG1-CD1 3.65Å; V289-I293 HydrophobicContact CG1-CG1 4.49Å; V289-I293 WeakPolarHBondContact O-CG1 3.47Å; V289-I293 PolarHBondContact O-N 2.86Å; V289-L300 HydrophobicContact CB-CD2 4.38Å; V289-L300 HydrophobicContact CG1-CD2 4.13Å; V289-L300 HydrophobicContact CG2-CD2 4.19Å; V289-D328 WeakPolarHBondContact CG1-OD2 3.35Å; V289-I331 HydrophobicContact CG1-CD1 3.96Å; V289-I331 HydrophobicContact CG1-CG1 4.1Å; V289-I331 HydrophobicContact CG2-CD1 3.87Å |
| 290 | D | 98.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 46.3 Ų | 46.3 | 39% | 0.39 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 178.8 | -72.6 | -34.1 | 0 | 0 | 0 | 111.6 | R286 K287 I293 S294 R330 | R286-D290 PolarHBondContact O-N 3.16Å; K287-D290 PolarHBondContact O-N 3.4Å; D290-I293 PolarHBondContact O-N 2.78Å; D290-S294 WeakPolarHBondContact O-CB 3.44Å; D290-S294 PolarHBondContact O-N 2.96Å; D290-R330 IonicContact OD1-CZ 3.23Å; D290-R330 IonicContact OD1-NH1 3.78Å; D290-R330 PolarHBondContact OD1-NH1 2.89Å; D290-R330 IonicContact OD1-NH2 3.64Å; D290-R330 PolarHBondContact OD1-NH2 3.12Å |
| 291 | D | 97.7 | Very high | 97.4 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.3 | -78.4 | -5.3 | 0 | 0 | 0 | 111.9 | K287 H288 V289 I293 S294 L295 | K287-D291 WeakPolarHBondContact O-CB 3.4Å; K287-D291 VanDerWaalsContact O-CG 3.3Å; K287-D291 PolarHBondContact O-N 3.08Å; H288-D291 PolarHBondContact O-N 3.15Å; V289-D291 VanDerWaalsContact C-N 3.32Å; V289-D291 PolarHBondContact O-N 2.98Å; D291-I293 VanDerWaalsContact C-N 3.35Å; D291-I293 PolarHBondContact O-N 2.8Å; D291-S294 PolarHBondContact O-N 3.06Å; D291-L295 WeakPolarHBondContact O-CB 2.78Å; D291-L295 WeakPolarHBondContact O-CD1 3.35Å; D291-L295 WeakPolarHBondContact O-CG 3.35Å; D291-L295 PolarHBondContact O-N 3.08Å |
| 292 | Q | 98 | Very high | 97.5 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 176.9 | -66.9 | -40.8 | -87.1 | 0 | 0 | 111.3 | Y234 H288 V289 L295 Y296 L300 | Y234-Q292 VanDerWaalsContact CE2-OE1 3.29Å; Y234-Q292 PolarHBondContact OH-OE1 2.75Å; H288-Q292 VanDerWaalsContact O-CG 3.29Å; H288-Q292 WeakPolarHBondContact O-CG 3.25Å; H288-Q292 PolarHBondContact O-N 3.07Å; V289-Q292 PolarHBondContact O-N 2.92Å; Q292-L295 PolarHBondContact O-N 2.98Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.44Å; Q292-Y296 PolarHBondContact O-N 3.23Å; Q292-L300 HydrophobicContact CB-CD1 3.9Å; Q292-L300 HydrophobicContact CB-CD2 3.9Å; Q292-L300 HydrophobicContact CB-CG 4.49Å; Q292-L300 HydrophobicContact CG-CD1 4.23Å; Q292-L300 HydrophobicContact CG-CD2 4.24Å |
| 293 | I | 97.9 | Very high | 97.5 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.2 | -39.7 | -178.9 | -68.5 | 168.5 | 0 | 0 | 0 | 110.8 | V289 D290 D291 L295 G297 L300 R330 | V289-I293 HydrophobicContact CG1-CD1 3.65Å; V289-I293 HydrophobicContact CG1-CG1 4.49Å; V289-I293 WeakPolarHBondContact O-CG1 3.47Å; V289-I293 PolarHBondContact O-N 2.86Å; D290-I293 PolarHBondContact O-N 2.78Å; D291-I293 VanDerWaalsContact C-N 3.35Å; D291-I293 PolarHBondContact O-N 2.8Å; I293-L295 VanDerWaalsContact C-N 3.31Å; I293-L295 PolarHBondContact O-N 3.39Å; I293-G297 CarbonylContact O-C 3.47Å; I293-G297 WeakPolarHBondContact O-CA 3.3Å; I293-G297 PolarHBondContact O-N 3.07Å; I293-L300 HydrophobicContact CD1-CB 4.47Å; I293-L300 HydrophobicContact CG1-CB 4.03Å; I293-R330 HydrophobicContact CD1-CB 3.58Å; I293-R330 HydrophobicContact CD1-CG 4.32Å |
| 294 | S | 96.6 | Very high | 97.4 | Very high | 104 Ų | 104 | 36.8 Ų | 36.8 | 73% | 0.727 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -60.9 | -40.6 | 175.4 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | D290 D291 | D290-S294 WeakPolarHBondContact O-CB 3.44Å; D290-S294 PolarHBondContact O-N 2.96Å; D291-S294 PolarHBondContact O-N 3.06Å |
| 295 | L | 95.3 | Very high | 97.1 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 40% | 0.403 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -76.7 | -37.7 | -178 | -72 | 169 | 0 | 0 | 0 | 114 | D291 Q292 I293 | D291-L295 WeakPolarHBondContact O-CB 2.78Å; D291-L295 WeakPolarHBondContact O-CD1 3.35Å; D291-L295 WeakPolarHBondContact O-CG 3.35Å; D291-L295 PolarHBondContact O-N 3.08Å; Q292-L295 PolarHBondContact O-N 2.98Å; I293-L295 VanDerWaalsContact C-N 3.31Å; I293-L295 PolarHBondContact O-N 3.39Å |
| 296 | Y | 96.9 | Very high | 96.6 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 7% | 0.071 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -123.6 | -6.2 | -169 | -50 | -72.4 | 0 | 0 | 0 | 114.9 | R157 Y234 E236 V251 V253 Q292 G381 V382 | R157-Y296 PolarHBondContact NH1-OH 2.99Å; Y234-Y296 VanDerWaalsContact OH-CE2 3.28Å; Y234-Y296 WeakPolarHBondContact OH-CE2 3.47Å; Y234-Y296 PolarHBondContact OH-OH 3.38Å; E236-Y296 HydrophobicContact CG-CE1 4.44Å; E236-Y296 WeakPolarHBondContact OE2-CE1 3.44Å; E236-Y296 PolarHBondContact OE2-OH 3.28Å; V251-Y296 HydrophobicContact CG1-CD1 4.24Å; V251-Y296 HydrophobicContact CG1-CE1 3.9Å; V253-Y296 HydrophobicContact CG1-CE1 4.23Å; V253-Y296 HydrophobicContact CG1-CE2 3.84Å; V253-Y296 WeakPolarHBondContact CG1-OH 3.3Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.44Å; Q292-Y296 PolarHBondContact O-N 3.23Å; Y296-G381 WeakPolarHBondContact O-CA 3.41Å; Y296-G381 PolarHBondContact O-N 3.16Å; Y296-V382 HydrophobicContact CD2-CB 4.17Å; Y296-V382 HydrophobicContact CD2-CG1 3.7Å; Y296-V382 HydrophobicContact CD2-CG2 4.41Å; Y296-V382 HydrophobicContact CG-CB 3.95Å; Y296-V382 HydrophobicContact CG-CG1 3.97Å; Y296-V382 HydrophobicContact CG-CG2 4.24Å |
| 297 | G | 95.7 | Very high | 95.7 | Very high | 26 Ų | 26 | 31 Ų | 31 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | trans | 89.1 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I293 | I293-G297 CarbonylContact O-C 3.47Å; I293-G297 WeakPolarHBondContact O-CA 3.3Å; I293-G297 PolarHBondContact O-N 3.07Å | ||
| 298 | S | 94.4 | Very high | 94.9 | Very high | 57 Ų | 57 | 26.7 Ų | 26.7 | 40% | 0.399 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -101 | 131.9 | 175 | 180 | 0 | 0 | 0 | 0 | 109.4 | K380 | S298-K380 CarbonylContact C-O 3.55Å; S298-K380 VanDerWaalsContact C-O 3.27Å |
| 299 | K | 95.6 | Very high | 94 | Very high | 89 Ų | 89 | 30.7 Ų | 30.7 | 39% | 0.387 | 18% | 0.177 | S | C | . | . | cis | -96.6 | 155.5 | 19.7 | -61.7 | -165.6 | 178.3 | -157.7 | 0 | 115.4 | I301 R330 V332 K380 G381 V382 | K299-I301 HydrophobicContact CB-CD1 3.9Å; K299-I301 VanDerWaalsContact O-CD1 3.24Å; K299-I301 WeakPolarHBondContact O-CD1 3.03Å; K299-R330 WeakPolarHBondContact CA-O 3.33Å; K299-R330 WeakPolarHBondContact CB-O 3.37Å; K299-V332 HydrophobicContact CB-CG2 4.35Å; K299-V332 HydrophobicContact CD-CG2 3.73Å; K299-K380 PolarHBondContact N-O 3.37Å; K299-G381 VanDerWaalsContact O-CA 3.23Å; K299-G381 WeakPolarHBondContact O-CA 3.45Å; K299-V382 PolarHBondContact O-N 3.29Å | ||
| 300 | L | 98.4 | Very high | 93 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 111.7 | 168.7 | 176.2 | 60.2 | 0 | 0 | 0 | 109.9 | V289 Q292 I293 L302 R330 I331 V332 V382 R384 | V289-L300 HydrophobicContact CB-CD2 4.38Å; V289-L300 HydrophobicContact CG1-CD2 4.13Å; V289-L300 HydrophobicContact CG2-CD2 4.19Å; Q292-L300 HydrophobicContact CB-CD1 3.9Å; Q292-L300 HydrophobicContact CB-CD2 3.9Å; Q292-L300 HydrophobicContact CB-CG 4.49Å; Q292-L300 HydrophobicContact CG-CD1 4.23Å; Q292-L300 HydrophobicContact CG-CD2 4.24Å; I293-L300 HydrophobicContact CD1-CB 4.47Å; I293-L300 HydrophobicContact CG1-CB 4.03Å; L300-L302 HydrophobicContact CD1-CD2 4.04Å; L300-L302 HydrophobicContact CD2-CD2 3.86Å; L300-L302 HydrophobicContact CG-CD2 3.71Å; L300-L302 HydrophobicContact CG-CG 4.28Å; L300-R330 PolarHBondContact N-O 3.28Å; L300-I331 WeakPolarHBondContact O-CA 3.22Å; L300-V332 PolarHBondContact O-N 2.83Å; L300-V382 HydrophobicContact CD1-CG1 3.74Å; L300-R384 HydrophobicContact CD1-CB 4.1Å |
| 301 | I | 98.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 107.9 | -178.9 | -58.4 | 60 | 0 | 0 | 0 | 108.7 | K299 V303 V332 V334 L360 M364 V382 F383 R384 | K299-I301 HydrophobicContact CB-CD1 3.9Å; K299-I301 VanDerWaalsContact O-CD1 3.24Å; K299-I301 WeakPolarHBondContact O-CD1 3.03Å; I301-V303 HydrophobicContact CG2-CG2 4.06Å; I301-V332 CarbonylContact C-O 3.56Å; I301-V332 WeakPolarHBondContact CA-O 3.42Å; I301-V332 HydrophobicContact CB-CB 4.48Å; I301-V332 HydrophobicContact CG1-CB 4.13Å; I301-V332 HydrophobicContact CG1-CG2 4.38Å; I301-V332 HydrophobicContact CG2-CB 4.35Å; I301-V332 HydrophobicContact CG2-CG1 4.47Å; I301-V334 HydrophobicContact CG2-CG2 3.86Å; I301-L360 HydrophobicContact CG1-CD1 4.32Å; I301-L360 HydrophobicContact CG2-CD1 4.41Å; I301-M364 HydrophobicContact CD1-CE 3.27Å; I301-M364 HydrophobicContact CG1-CE 4.03Å; I301-V382 PolarHBondContact N-O 2.91Å; I301-F383 HydrophobicContact CB-CD1 3.72Å; I301-F383 HydrophobicContact CB-CE1 3.98Å; I301-F383 HydrophobicContact CB-CG 4.32Å; I301-F383 HydrophobicContact CG1-CD1 4.33Å; I301-F383 HydrophobicContact CG1-CE1 4.14Å; I301-F383 HydrophobicContact CG2-CD1 3.55Å; I301-F383 HydrophobicContact CG2-CE1 3.63Å; I301-F383 WeakPolarHBondContact O-CA 3.46Å; I301-R384 PolarHBondContact O-N 3.26Å |
| 302 | L | 98.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 107.2 | 179.4 | -56.4 | -179.7 | 0 | 0 | 0 | 109.7 | F285 L300 Y319 V323 I331 V332 Y333 V334 R384 | F285-L302 HydrophobicContact CZ-CD1 4.47Å; L300-L302 HydrophobicContact CD1-CD2 4.04Å; L300-L302 HydrophobicContact CD2-CD2 3.86Å; L300-L302 HydrophobicContact CG-CD2 3.71Å; L300-L302 HydrophobicContact CG-CG 4.28Å; L302-Y319 HydrophobicContact CD1-CE2 4.2Å; L302-V323 HydrophobicContact CD1-CG2 3.83Å; L302-I331 HydrophobicContact CD1-CG2 3.6Å; L302-I331 HydrophobicContact CG-CG2 4.01Å; L302-V332 PolarHBondContact N-O 3.34Å; L302-Y333 HydrophobicContact CB-CD2 3.99Å; L302-Y333 HydrophobicContact CD1-CD2 4.36Å; L302-V334 PolarHBondContact O-N 3.15Å; L302-R384 HydrophobicContact CD2-CB 4.01Å; L302-R384 HydrophobicContact CD2-CG 4.3Å |
| 303 | V | 97.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 102.4 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | I301 L305 V334 L353 L357 F383 R384 V385 N386 V397 | I301-V303 HydrophobicContact CG2-CG2 4.06Å; V303-L305 HydrophobicContact CG1-CD2 3.89Å; V303-L305 HydrophobicContact CG1-CG 4.45Å; V303-V334 HydrophobicContact CG2-CB 4.29Å; V303-V334 HydrophobicContact CG2-CG2 4.43Å; V303-L353 HydrophobicContact CG1-CD2 4.33Å; V303-L357 HydrophobicContact CG2-CD1 4.34Å; V303-F383 HydrophobicContact CG2-CD1 3.97Å; V303-R384 PolarHBondContact N-O 3.24Å; V303-V385 HydrophobicContact CB-CB 4.45Å; V303-V385 HydrophobicContact CB-CG1 4.19Å; V303-V385 HydrophobicContact CB-CG2 4.21Å; V303-V385 HydrophobicContact CG1-CG1 4.26Å; V303-V385 WeakPolarHBondContact O-CA 3.38Å; V303-N386 PolarHBondContact O-N 3.03Å; V303-N386 PolarHBondContact O-OD1 3.41Å; V303-N386 VanDerWaalsContact O-OD1 3.1Å; V303-V397 HydrophobicContact CG1-CG1 4.42Å |
| 304 | N | 96 | Very high | 90.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.7 | -179.4 | -176.2 | 22.4 | 0 | 0 | 0 | 111.8 | I306 D316 Y319 Y333 V334 F336 N386 | N304-I306 WeakPolarHBondContact OD1-CB 3.13Å; N304-I306 VanDerWaalsContact OD1-CD1 3.26Å; N304-I306 WeakPolarHBondContact OD1-CD1 3.44Å; N304-I306 WeakPolarHBondContact OD1-CG1 3.21Å; N304-I306 PolarHBondContact OD1-N 2.79Å; N304-D316 PolarHBondContact ND2-OD1 3.38Å; N304-Y319 HydrophobicContact CB-CD1 4.19Å; N304-Y319 HydrophobicContact CB-CE1 4.14Å; N304-Y333 HydrophobicContact CB-CE2 4.02Å; N304-Y333 PolarHBondContact ND2-OH 3.1Å; N304-V334 PolarHBondContact N-O 3.43Å; N304-F336 PolarHBondContact O-N 3.38Å; N304-N386 PolarHBondContact OD1-ND2 2.98Å |
| 305 | L | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -110.8 | 16.8 | -178.4 | -49.6 | 176.1 | 0 | 0 | 0 | 113.1 | V303 F336 F338 L353 V385 N386 C387 R393 T394 V397 | V303-L305 HydrophobicContact CG1-CD2 3.89Å; V303-L305 HydrophobicContact CG1-CG 4.45Å; L305-F336 HydrophobicContact CD2-CB 4.24Å; L305-F336 HydrophobicContact CD2-CD1 3.97Å; L305-F338 HydrophobicContact CB-CB 4.46Å; L305-L353 HydrophobicContact CD2-CD2 4.4Å; L305-V385 HydrophobicContact CD1-CG1 3.62Å; L305-V385 HydrophobicContact CG-CG1 4.12Å; L305-N386 WeakPolarHBondContact CB-O 3.48Å; L305-N386 PolarHBondContact N-O 2.55Å; L305-C387 HydrophobicContact CB-CB 3.98Å; L305-R393 HydrophobicContact CD1-CB 4.06Å; L305-R393 PolarHBondContact O-NH1 3.03Å; L305-T394 HydrophobicContact CD1-CG2 4.28Å; L305-V397 HydrophobicContact CD1-CB 3.98Å; L305-V397 HydrophobicContact CD1-CG1 4.49Å; L305-V397 HydrophobicContact CD1-CG2 3.62Å; L305-V397 HydrophobicContact CD2-CG2 3.99Å; L305-V397 HydrophobicContact CG-CG2 4.48Å | ||
| 306 | I | 88.1 | Confident | 90.3 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -62.4 | 144.9 | 175.2 | -68.1 | 169.1 | 0 | 0 | 0 | 109.2 | V257 N304 P308 E312 L315 D316 V388 | V257-I306 HydrophobicContact CG2-CD1 3.5Å; V257-I306 HydrophobicContact CG2-CG1 4.41Å; N304-I306 WeakPolarHBondContact OD1-CB 3.13Å; N304-I306 VanDerWaalsContact OD1-CD1 3.26Å; N304-I306 WeakPolarHBondContact OD1-CD1 3.44Å; N304-I306 WeakPolarHBondContact OD1-CG1 3.21Å; N304-I306 PolarHBondContact OD1-N 2.79Å; I306-P308 WeakPolarHBondContact O-CD 3.45Å; I306-E312 HydrophobicContact CG2-CB 3.53Å; I306-L315 HydrophobicContact CD1-CD2 4.13Å; I306-L315 HydrophobicContact CD1-CG 4Å; I306-D316 HydrophobicContact CB-CB 4.36Å; I306-D316 HydrophobicContact CG2-CB 3.81Å; I306-V388 HydrophobicContact CG1-CG2 4.01Å; I306-V388 HydrophobicContact CG2-CG2 4.36Å | ||
| 307 | D | 80.1 | Confident | 90.2 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | trans | -84.9 | 105.6 | 174 | -172.5 | -20.3 | 0 | 0 | 0 | 110.3 | N309 T310 E312 N337 N339 | D307-N309 PolarHBondContact O-N 2.93Å; D307-N309 VanDerWaalsContact O-N 3.16Å; D307-N309 WeakPolarHBondContact OD1-CB 3.46Å; D307-N309 PolarHBondContact OD1-N 3.23Å; D307-T310 HydrophobicContact CB-CG2 3.82Å; D307-T310 PolarHBondContact O-N 2.85Å; D307-T310 PolarHBondContact O-OG1 3.09Å; D307-T310 WeakPolarHBondContact OD2-CG2 3.32Å; D307-E312 PolarHBondContact N-OE2 2.96Å; D307-N337 PolarHBondContact OD1-ND2 3.38Å; D307-N339 HydrophobicContact CB-CB 4.44Å; D307-N339 WeakPolarHBondContact CB-ND2 3.43Å; D307-N339 VanDerWaalsContact OD2-CB 3.25Å; D307-N339 WeakPolarHBondContact OD2-CB 3.47Å; D307-N339 PolarHBondContact OD2-ND2 3.37Å | ||
| 308 | P | 80.9 | Confident | 90.2 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -15.1 | -177.1 | 28.1 | -39.2 | 0 | 0 | 0 | 115.5 | I306 K313 N337 R860 | I306-P308 WeakPolarHBondContact O-CD 3.45Å; P308-K313 WeakPolarHBondContact O-CB 3.38Å; P308-N337 WeakPolarHBondContact CD-ND2 3.27Å; P308-N337 HydrophobicContact CG-CB 4.13Å; P308-N337 VanDerWaalsContact CG-ND2 3.34Å; P308-N337 WeakPolarHBondContact CG-ND2 3.41Å; P308-R860 VanDerWaalsContact CB-CD 3.48Å; P308-R860 VanDerWaalsContact CB-NE 3.27Å; P308-R860 PolarHBondContact O-NE 2.78Å; P308-R860 PolarHBondContact O-NH2 2.92Å |
| 309 | N | 79.1 | Confident | 90.3 | Very high | 87 Ų | 87 | 29.2 Ų | 29.2 | 47% | 0.465 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 10.5 | -173.8 | -64.4 | -33 | 0 | 0 | 0 | 112.6 | D307 N337 D340 | D307-N309 PolarHBondContact O-N 2.93Å; D307-N309 VanDerWaalsContact O-N 3.16Å; D307-N309 WeakPolarHBondContact OD1-CB 3.46Å; D307-N309 PolarHBondContact OD1-N 3.23Å; N309-N337 PolarHBondContact ND2-ND2 3.18Å; N309-D340 PolarHBondContact ND2-OD2 3.48Å |
| 310 | T | 77.2 | Confident | 90.3 | Very high | 56 Ų | 56 | 25 Ų | 25 | 34% | 0.344 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -119.6 | -173.7 | -176.6 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | D307 E312 K313 | D307-T310 HydrophobicContact CB-CG2 3.82Å; D307-T310 PolarHBondContact O-N 2.85Å; D307-T310 PolarHBondContact O-OG1 3.09Å; D307-T310 WeakPolarHBondContact OD2-CG2 3.32Å; T310-E312 PolarHBondContact O-N 2.81Å; T310-E312 WeakPolarHBondContact OG1-CB 3.28Å; T310-E312 WeakPolarHBondContact OG1-CG 3.16Å; T310-E312 PolarHBondContact OG1-N 2.93Å; T310-E312 VanDerWaalsContact OG1-N 3.16Å; T310-K313 WeakPolarHBondContact O-CB 3.34Å; T310-K313 PolarHBondContact O-N 2.68Å |
| 311 | K | 79.7 | Confident | 90.2 | Very high | 147 Ų | 147 | 25.3 Ų | 25.3 | 64% | 0.639 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -12.4 | 168.9 | -61.2 | -179.1 | -175.3 | 174.8 | 0 | 113.2 | P271 P272 K313 P314 | P271-K311 HydrophobicContact CB-CB 4.18Å; P271-K311 HydrophobicContact CB-CD 4.48Å; P272-K311 WeakPolarHBondContact CD-O 3.48Å; K311-K313 VanDerWaalsContact C-N 3.29Å; K311-P314 WeakPolarHBondContact O-CD 3.28Å |
| 312 | E | 83.3 | Confident | 90.1 | Very high | 29 Ų | 29 | 25 Ų | 25 | 14% | 0.136 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.4 | 175.4 | -50.1 | -179.3 | 159.1 | 0 | 0 | 113.2 | I306 D307 T310 L315 D316 V388 R393 | I306-E312 HydrophobicContact CG2-CB 3.53Å; D307-E312 PolarHBondContact N-OE2 2.96Å; T310-E312 PolarHBondContact O-N 2.81Å; T310-E312 WeakPolarHBondContact OG1-CB 3.28Å; T310-E312 WeakPolarHBondContact OG1-CG 3.16Å; T310-E312 PolarHBondContact OG1-N 2.93Å; T310-E312 VanDerWaalsContact OG1-N 3.16Å; E312-L315 WeakPolarHBondContact O-CB 3.23Å; E312-L315 PolarHBondContact O-N 3.02Å; E312-D316 PolarHBondContact O-N 3.32Å; E312-V388 HydrophobicContact CB-CG2 4.01Å; E312-V388 HydrophobicContact CG-CG2 3.68Å; E312-V388 VanDerWaalsContact OE1-CG2 3.28Å; E312-V388 WeakPolarHBondContact OE1-CG2 3.43Å; E312-V388 WeakPolarHBondContact OE2-CG2 3.4Å; E312-R393 IonicContact OE1-NH2 2.68Å; E312-R393 PolarHBondContact OE1-NH2 2.98Å; E312-R393 VanDerWaalsContact OE1-NH2 3.09Å; E312-R393 IonicContact OE2-CZ 3.8Å; E312-R393 IonicContact OE2-NH1 3.82Å; E312-R393 PolarHBondContact OE2-NH1 2.84Å; E312-R393 IonicContact OE2-NH2 3.48Å |
| 313 | K | 88 | Confident | 90.1 | Very high | 78 Ų | 78 | 25 Ų | 25 | 34% | 0.339 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -48.1 | -48.3 | -177.5 | 167.1 | 158.6 | -179.9 | 58.9 | 0 | 115.1 | P308 T310 K311 L315 D316 D317 | P308-K313 WeakPolarHBondContact O-CB 3.38Å; T310-K313 WeakPolarHBondContact O-CB 3.34Å; T310-K313 PolarHBondContact O-N 2.68Å; K311-K313 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 3.44Å; K313-L315 VanDerWaalsContact O-N 3.17Å; K313-D316 WeakPolarHBondContact O-CB 3.4Å; K313-D316 PolarHBondContact O-N 2.88Å; K313-D316 VanDerWaalsContact O-N 3.08Å; K313-D317 WeakPolarHBondContact CE-OD2 3.23Å; K313-D317 WeakPolarHBondContact CG-OD2 3.43Å; K313-D317 IonicContact NZ-OD1 2.6Å; K313-D317 PolarHBondContact NZ-OD1 3.42Å; K313-D317 IonicContact NZ-OD2 2.81Å; K313-D317 PolarHBondContact NZ-OD2 3.39Å; K313-D317 VanDerWaalsContact O-CG 3.28Å; K313-D317 PolarHBondContact O-N 3.16Å |
| 314 | P | 91.3 | Very high | 90 | Very high | 61 Ų | 61 | 25.4 Ų | 25.4 | 40% | 0.396 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58.7 | -32.3 | -179 | -25.7 | 35.6 | 0 | 0 | 0 | 113.2 | K311 V318 | K311-P314 WeakPolarHBondContact O-CD 3.28Å; P314-V318 VanDerWaalsContact O-CG2 3.27Å; P314-V318 WeakPolarHBondContact O-CG2 3.44Å; P314-V318 PolarHBondContact O-N 2.72Å; P314-V318 VanDerWaalsContact O-N 3.1Å |
| 315 | L | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.2 | -37.2 | 178.1 | -174.1 | 63 | 0 | 0 | 0 | 112 | V257 W261 P272 I274 I306 E312 K313 Y319 V388 | V257-L315 HydrophobicContact CB-CD1 4.03Å; V257-L315 HydrophobicContact CB-CD2 4.29Å; V257-L315 HydrophobicContact CB-CG 4.22Å; V257-L315 HydrophobicContact CG1-CD1 3.82Å; V257-L315 HydrophobicContact CG1-CG 4.15Å; V257-L315 HydrophobicContact CG2-CD1 4.41Å; V257-L315 HydrophobicContact CG2-CD2 3.89Å; V257-L315 HydrophobicContact CG2-CG 4.04Å; W261-L315 HydrophobicContact CB-CD1 4.09Å; W261-L315 HydrophobicContact CD2-CD1 3.79Å; W261-L315 HydrophobicContact CD2-CD2 3.84Å; W261-L315 HydrophobicContact CD2-CG 4.49Å; W261-L315 HydrophobicContact CE3-CD1 4.46Å; W261-L315 HydrophobicContact CE3-CD2 3.94Å; W261-L315 HydrophobicContact CG-CD1 3.57Å; W261-L315 HydrophobicContact CH2-CD2 3.77Å; W261-L315 HydrophobicContact CZ2-CD2 3.69Å; W261-L315 HydrophobicContact CZ3-CD2 3.88Å; P272-L315 HydrophobicContact CB-CB 4.2Å; P272-L315 HydrophobicContact CB-CD2 4.29Å; P272-L315 HydrophobicContact CG-CB 4.42Å; P272-L315 HydrophobicContact CG-CD2 4.34Å; I274-L315 HydrophobicContact CD1-CB 4.39Å; I274-L315 HydrophobicContact CD1-CD1 3.78Å; I306-L315 HydrophobicContact CD1-CD2 4.13Å; I306-L315 HydrophobicContact CD1-CG 4Å; E312-L315 WeakPolarHBondContact O-CB 3.23Å; E312-L315 PolarHBondContact O-N 3.02Å; K313-L315 PolarHBondContact O-N 3.44Å; K313-L315 VanDerWaalsContact O-N 3.17Å; L315-Y319 WeakPolarHBondContact O-CB 3.21Å; L315-Y319 PolarHBondContact O-N 3Å; L315-Y319 VanDerWaalsContact O-N 3.17Å; L315-V388 HydrophobicContact CD2-CG2 4.13Å |
| 316 | D | 93.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 172.4 | -170.1 | 68.3 | 0 | 0 | 0 | 111.6 | N304 I306 E312 K313 V318 Y319 I320 R860 | N304-D316 PolarHBondContact ND2-OD1 3.38Å; I306-D316 HydrophobicContact CB-CB 4.36Å; I306-D316 HydrophobicContact CG2-CB 3.81Å; E312-D316 PolarHBondContact O-N 3.32Å; K313-D316 WeakPolarHBondContact O-CB 3.4Å; K313-D316 PolarHBondContact O-N 2.88Å; K313-D316 VanDerWaalsContact O-N 3.08Å; D316-V318 PolarHBondContact O-N 2.84Å; D316-Y319 PolarHBondContact O-N 3.38Å; D316-Y319 VanDerWaalsContact O-N 3.1Å; D316-I320 PolarHBondContact O-N 3.13Å; D316-R860 IonicContact OD2-CZ 3.8Å; D316-R860 IonicContact OD2-NH1 3.52Å; D316-R860 PolarHBondContact OD2-NH1 2.95Å; D316-R860 IonicContact OD2-NH2 2.94Å; D316-R860 PolarHBondContact OD2-NH2 2.67Å; D316-R860 VanDerWaalsContact OD2-NH2 3.11Å |
| 317 | D | 94.1 | Very high | 90.6 | Very high | 31 Ų | 31 | 36 Ų | 36 | 17% | 0.166 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | -179.6 | -65.7 | -12.1 | 0 | 0 | 0 | 110.9 | K313 Y319 I320 D321 R860 | K313-D317 WeakPolarHBondContact CE-OD2 3.23Å; K313-D317 WeakPolarHBondContact CG-OD2 3.43Å; K313-D317 IonicContact NZ-OD1 2.6Å; K313-D317 PolarHBondContact NZ-OD1 3.42Å; K313-D317 IonicContact NZ-OD2 2.81Å; K313-D317 PolarHBondContact NZ-OD2 3.39Å; K313-D317 VanDerWaalsContact O-CG 3.28Å; K313-D317 PolarHBondContact O-N 3.16Å; D317-Y319 PolarHBondContact O-N 3.19Å; D317-I320 VanDerWaalsContact O-CG2 3.27Å; D317-I320 WeakPolarHBondContact O-CG2 3.35Å; D317-D321 VanDerWaalsContact O-CB 3.32Å; D317-D321 WeakPolarHBondContact O-CB 3.43Å; D317-D321 VanDerWaalsContact O-CG 3.25Å; D317-D321 PolarHBondContact O-N 3.37Å; D317-R860 IonicContact OD1-CZ 3.72Å; D317-R860 IonicContact OD1-NH1 3.69Å; D317-R860 IonicContact OD1-NH2 3.64Å; D317-R860 PolarHBondContact OD1-NH2 2.73Å |
| 318 | V | 95.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 175.2 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | A259 I274 P314 D316 L322 | A259-V318 HydrophobicContact CB-CG1 3.86Å; I274-V318 HydrophobicContact CD1-CG2 4.19Å; I274-V318 HydrophobicContact CG1-CG2 4.07Å; I274-V318 HydrophobicContact CG2-CG2 4.22Å; P314-V318 VanDerWaalsContact O-CG2 3.27Å; P314-V318 WeakPolarHBondContact O-CG2 3.44Å; P314-V318 PolarHBondContact O-N 2.72Å; P314-V318 VanDerWaalsContact O-N 3.1Å; D316-V318 PolarHBondContact O-N 2.84Å; V318-L322 HydrophobicContact CG1-CD1 3.88Å; V318-L322 HydrophobicContact CG1-CG 4.33Å; V318-L322 WeakPolarHBondContact O-CB 3.42Å; V318-L322 VanDerWaalsContact O-CG 3.23Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 3.22Å |
| 319 | Y | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.8 | -45.2 | -175.1 | -167 | -161.2 | 0 | 0 | 0 | 112.8 | V257 P258 F285 L302 N304 L315 D316 D317 D321 L322 V323 Y333 R384 N386 | V257-Y319 HydrophobicContact CG1-CD1 3.94Å; V257-Y319 HydrophobicContact CG1-CD2 4.28Å; V257-Y319 HydrophobicContact CG1-CG 3.78Å; P258-Y319 VanDerWaalsContact CD-CE2 3.48Å; P258-Y319 HydrophobicContact CG-CD2 4.06Å; P258-Y319 HydrophobicContact CG-CE2 3.39Å; F285-Y319 HydrophobicContact CE2-CD2 4.46Å; F285-Y319 AromaticContact CE2-CE2 3.89Å; F285-Y319 HydrophobicContact CE2-CE2 3.89Å; F285-Y319 HydrophobicContact CZ-CE2 4.48Å; L302-Y319 HydrophobicContact CD1-CE2 4.2Å; N304-Y319 HydrophobicContact CB-CD1 4.19Å; N304-Y319 HydrophobicContact CB-CE1 4.14Å; L315-Y319 WeakPolarHBondContact O-CB 3.21Å; L315-Y319 PolarHBondContact O-N 3Å; L315-Y319 VanDerWaalsContact O-N 3.17Å; D316-Y319 PolarHBondContact O-N 3.38Å; D316-Y319 VanDerWaalsContact O-N 3.1Å; D317-Y319 PolarHBondContact O-N 3.19Å; Y319-D321 VanDerWaalsContact C-N 3.28Å; Y319-D321 PolarHBondContact O-N 3.47Å; Y319-L322 PolarHBondContact O-N 3.22Å; Y319-V323 HydrophobicContact CD2-CG2 4.46Å; Y319-V323 HydrophobicContact CE2-CG2 4.31Å; Y319-V323 PolarHBondContact O-N 3.31Å; Y319-Y333 AromaticContact CD1-CE2 3.9Å; Y319-Y333 HydrophobicContact CD1-CE2 3.9Å; Y319-Y333 AromaticContact CE1-CE2 3.96Å; Y319-Y333 HydrophobicContact CE1-CE2 3.96Å; Y319-Y333 HydrophobicContact CG-CE2 4.21Å; Y319-R384 PolarHBondContact OH-NH1 2.8Å; Y319-N386 WeakPolarHBondContact CE1-ND2 3.45Å; Y319-N386 VanDerWaalsContact CE1-OD1 3.31Å; Y319-N386 WeakPolarHBondContact CE1-OD1 3.29Å |
| 320 | I | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 175.6 | -170.4 | 170.3 | 0 | 0 | 0 | 111.2 | D316 D317 V323 L324 Y333 Y861 Y864 F875 L877 | D316-I320 PolarHBondContact O-N 3.13Å; D317-I320 VanDerWaalsContact O-CG2 3.27Å; D317-I320 WeakPolarHBondContact O-CG2 3.35Å; I320-V323 PolarHBondContact O-N 3.28Å; I320-L324 HydrophobicContact CG1-CD1 4.08Å; I320-L324 HydrophobicContact CG1-CG 4.48Å; I320-L324 WeakPolarHBondContact O-CG 3.37Å; I320-L324 PolarHBondContact O-N 3.37Å; I320-Y333 HydrophobicContact CB-CE1 4.12Å; I320-Y333 HydrophobicContact CD1-CE1 4.17Å; I320-Y333 HydrophobicContact CG1-CE1 3.97Å; I320-Y861 HydrophobicContact CD1-CD1 3.8Å; I320-Y861 HydrophobicContact CD1-CE1 3.96Å; I320-Y864 HydrophobicContact CD1-CD1 4.2Å; I320-Y864 HydrophobicContact CD1-CD2 4.21Å; I320-Y864 HydrophobicContact CD1-CG 3.98Å; I320-Y864 HydrophobicContact CG1-CD1 4.45Å; I320-Y864 HydrophobicContact CG2-CD1 4.27Å; I320-Y864 HydrophobicContact CG2-CE1 3.64Å; I320-Y864 HydrophobicContact CG2-CE2 4.08Å; I320-F875 HydrophobicContact CG1-CE1 4.26Å; I320-L877 HydrophobicContact CD1-CD2 4.42Å |
| 321 | D | 95.8 | Very high | 94 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.2 | -77.1 | -46.3 | 0 | 0 | 0 | 112.6 | K278 D317 Y319 V323 L324 D325 Y864 R867 | K278-D321 HydrophobicContact CD-CB 3.87Å; K278-D321 VanDerWaalsContact CE-OD2 3.29Å; K278-D321 WeakPolarHBondContact CE-OD2 3.2Å; K278-D321 IonicContact NZ-OD2 3.4Å; K278-D321 PolarHBondContact NZ-OD2 3.45Å; D317-D321 VanDerWaalsContact O-CB 3.32Å; D317-D321 WeakPolarHBondContact O-CB 3.43Å; D317-D321 VanDerWaalsContact O-CG 3.25Å; D317-D321 PolarHBondContact O-N 3.37Å; Y319-D321 VanDerWaalsContact C-N 3.28Å; Y319-D321 PolarHBondContact O-N 3.47Å; D321-V323 VanDerWaalsContact C-N 3.27Å; D321-V323 PolarHBondContact O-N 3.45Å; D321-L324 PolarHBondContact O-N 3.21Å; D321-D325 VanDerWaalsContact O-CB 3.31Å; D321-D325 WeakPolarHBondContact O-CB 3.19Å; D321-D325 PolarHBondContact O-N 3.43Å; D321-Y864 WeakPolarHBondContact OD1-CE1 3.3Å; D321-R867 IonicContact OD1-CZ 3.18Å; D321-R867 IonicContact OD1-NH1 3.95Å; D321-R867 PolarHBondContact OD1-NH1 3.25Å; D321-R867 IonicContact OD1-NH2 2.68Å; D321-R867 PolarHBondContact OD1-NH2 3.26Å |
| 322 | L | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 175.5 | -75.7 | 169 | 0 | 0 | 0 | 112.1 | A259 T281 M282 F285 V318 Y319 S326 | A259-L322 HydrophobicContact CB-CD1 4.03Å; T281-L322 HydrophobicContact CG2-CD1 3.76Å; T281-L322 HydrophobicContact CG2-CD2 4.03Å; M282-L322 HydrophobicContact CE-CD2 3.84Å; M282-L322 WeakPolarHBondContact CE-O 3.36Å; M282-L322 HydrophobicContact SD-CD2 4.35Å; F285-L322 HydrophobicContact CB-CD2 4.32Å; F285-L322 HydrophobicContact CD1-CB 4.09Å; F285-L322 HydrophobicContact CD2-CB 4.36Å; F285-L322 HydrophobicContact CD2-CD1 4.34Å; F285-L322 HydrophobicContact CE1-CB 4.2Å; F285-L322 WeakPolarHBondContact CE1-O 3.4Å; F285-L322 HydrophobicContact CG-CB 4.17Å; F285-L322 HydrophobicContact CG-CD1 4.41Å; F285-L322 HydrophobicContact CG-CD2 4.46Å; F285-L322 HydrophobicContact CZ-CB 4.41Å; V318-L322 HydrophobicContact CG1-CD1 3.88Å; V318-L322 HydrophobicContact CG1-CG 4.33Å; V318-L322 WeakPolarHBondContact O-CB 3.42Å; V318-L322 VanDerWaalsContact O-CG 3.23Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 3.22Å; Y319-L322 PolarHBondContact O-N 3.22Å; L322-S326 VanDerWaalsContact O-CB 3.24Å; L322-S326 WeakPolarHBondContact O-CB 3.44Å; L322-S326 PolarHBondContact O-N 3.14Å; L322-S326 VanDerWaalsContact O-N 3.07Å; L322-S326 PolarHBondContact O-OG 2.68Å |
| 323 | V | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.9 | -48.5 | 176.3 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | F285 L302 Y319 I320 D321 D325 S326 I331 Y333 F875 | F285-V323 HydrophobicContact CZ-CG2 3.98Å; L302-V323 HydrophobicContact CD1-CG2 3.83Å; Y319-V323 HydrophobicContact CD2-CG2 4.46Å; Y319-V323 HydrophobicContact CE2-CG2 4.31Å; Y319-V323 PolarHBondContact O-N 3.31Å; I320-V323 PolarHBondContact O-N 3.28Å; D321-V323 VanDerWaalsContact C-N 3.27Å; D321-V323 PolarHBondContact O-N 3.45Å; V323-D325 VanDerWaalsContact C-N 3.35Å; V323-D325 PolarHBondContact O-N 2.93Å; V323-S326 PolarHBondContact O-N 3.33Å; V323-S326 PolarHBondContact O-OG 2.91Å; V323-I331 HydrophobicContact CG1-CG2 3.89Å; V323-Y333 HydrophobicContact CB-CD2 4.45Å; V323-Y333 HydrophobicContact CG1-CG 4.48Å; V323-Y333 HydrophobicContact CG2-CD2 3.7Å; V323-Y333 HydrophobicContact CG2-CE2 4.2Å; V323-Y333 HydrophobicContact CG2-CG 4.3Å; V323-F875 HydrophobicContact CB-CE1 4.41Å; V323-F875 HydrophobicContact CB-CZ 4.42Å; V323-F875 HydrophobicContact CG1-CE1 3.94Å; V323-F875 HydrophobicContact CG1-CZ 3.7Å |
| 324 | L | 96.6 | Very high | 96 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 179.3 | -75 | 167.1 | 0 | 0 | 0 | 111.8 | I320 D321 S326 E327 Y864 R867 V868 F875 | I320-L324 HydrophobicContact CG1-CD1 4.08Å; I320-L324 HydrophobicContact CG1-CG 4.48Å; I320-L324 WeakPolarHBondContact O-CG 3.37Å; I320-L324 PolarHBondContact O-N 3.37Å; D321-L324 PolarHBondContact O-N 3.21Å; L324-S326 VanDerWaalsContact C-N 3.26Å; L324-S326 PolarHBondContact O-N 3.43Å; L324-E327 WeakPolarHBondContact O-CG 3.26Å; L324-E327 PolarHBondContact O-N 3.2Å; L324-Y864 HydrophobicContact CD1-CD1 3.55Å; L324-Y864 HydrophobicContact CD1-CE1 4.18Å; L324-Y864 HydrophobicContact CD1-CG 4.49Å; L324-R867 HydrophobicContact CD1-CB 4.17Å; L324-R867 HydrophobicContact CD2-CB 4.11Å; L324-V868 HydrophobicContact CD2-CG2 3.96Å; L324-F875 HydrophobicContact CD2-CE1 3.96Å; L324-F875 HydrophobicContact CD2-CE2 3.81Å; L324-F875 HydrophobicContact CD2-CZ 3.36Å; L324-F875 HydrophobicContact CG-CE1 4.08Å; L324-F875 HydrophobicContact CG-CZ 3.76Å |
| 325 | D | 96.3 | Very high | 96.2 | Very high | 71 Ų | 71 | 25.2 Ų | 25.2 | 38% | 0.38 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -77.6 | -12.2 | -177.1 | -61.8 | -12.9 | 0 | 0 | 0 | 112.7 | M282 D321 V323 E327 R867 | M282-D325 HydrophobicContact CE-CB 3.46Å; M282-D325 VanDerWaalsContact CE-CB 3.46Å; D321-D325 VanDerWaalsContact O-CB 3.31Å; D321-D325 WeakPolarHBondContact O-CB 3.19Å; D321-D325 PolarHBondContact O-N 3.43Å; V323-D325 VanDerWaalsContact C-N 3.35Å; V323-D325 PolarHBondContact O-N 2.93Å; D325-E327 VanDerWaalsContact C-N 3.35Å; D325-R867 IonicContact OD1-CZ 3.91Å; D325-R867 IonicContact OD1-NH2 2.76Å; D325-R867 PolarHBondContact OD1-NH2 3.03Å; D325-R867 IonicContact OD2-NH2 2.58Å |
| 326 | S | 96.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 10% | 0.098 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -75.5 | -26.2 | 172.7 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | L322 V323 L324 D328 | L322-S326 VanDerWaalsContact O-CB 3.24Å; L322-S326 WeakPolarHBondContact O-CB 3.44Å; L322-S326 PolarHBondContact O-N 3.14Å; L322-S326 VanDerWaalsContact O-N 3.07Å; L322-S326 PolarHBondContact O-OG 2.68Å; V323-S326 PolarHBondContact O-N 3.33Å; V323-S326 PolarHBondContact O-OG 2.91Å; L324-S326 VanDerWaalsContact C-N 3.26Å; L324-S326 PolarHBondContact O-N 3.43Å; S326-D328 PolarHBondContact O-N 3.49Å; S326-D328 VanDerWaalsContact O-N 3.16Å |
| 327 | E | 94.9 | Very high | 95.5 | Very high | 142 Ų | 142 | 25.6 Ų | 25.6 | 66% | 0.664 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 35.1 | -177.7 | -60.7 | -174.3 | 153.4 | 0 | 0 | 113.6 | L324 D325 P872 | L324-E327 WeakPolarHBondContact O-CG 3.26Å; L324-E327 PolarHBondContact O-N 3.2Å; D325-E327 VanDerWaalsContact C-N 3.35Å; E327-P872 VanDerWaalsContact C-CG 3.45Å; E327-P872 HydrophobicContact CB-CG 3.89Å; E327-P872 WeakPolarHBondContact O-CG 3.4Å |
| 328 | D | 96.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 24.2 Ų | 24.2 | 13% | 0.128 | 12% | 0.116 | C | C | . | . | trans | -95.7 | 109.9 | -175.3 | -167.6 | -24.6 | 0 | 0 | 0 | 111.8 | V289 S326 R330 I331 S873 | V289-D328 WeakPolarHBondContact CG1-OD2 3.35Å; S326-D328 PolarHBondContact O-N 3.49Å; S326-D328 VanDerWaalsContact O-N 3.16Å; D328-R330 PolarHBondContact O-N 2.95Å; D328-R330 VanDerWaalsContact O-N 3.14Å; D328-R330 WeakPolarHBondContact OD1-CB 3.33Å; D328-R330 VanDerWaalsContact OD1-CG 3.26Å; D328-R330 WeakPolarHBondContact OD1-CG 3.16Å; D328-R330 IonicContact OD1-CZ 3.64Å; D328-R330 PolarHBondContact OD1-N 3.43Å; D328-R330 IonicContact OD1-NE 3.84Å; D328-R330 PolarHBondContact OD1-NE 2.8Å; D328-R330 IonicContact OD1-NH2 2.81Å; D328-R330 IonicContact OD2-CZ 3.09Å; D328-R330 IonicContact OD2-NE 2.68Å; D328-R330 PolarHBondContact OD2-NE 3.42Å; D328-R330 IonicContact OD2-NH2 2.93Å; D328-R330 PolarHBondContact OD2-NH2 2.88Å; D328-I331 HydrophobicContact CB-CD1 3.83Å; D328-I331 HydrophobicContact CB-CG1 4.02Å; D328-I331 PolarHBondContact O-N 3.16Å; D328-I331 VanDerWaalsContact O-N 3.14Å; D328-S873 PolarHBondContact N-OG 3.32Å; D328-S873 WeakPolarHBondContact O-CB 2.9Å; D328-S873 PolarHBondContact O-OG 3.15Å | ||
| 329 | E | 96.8 | Very high | 93.4 | Very high | 139 Ų | 139 | 26.1 Ų | 26.1 | 65% | 0.65 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.5 | 179.6 | 62.6 | 171.7 | -158.1 | 0 | 0 | 114.4 | I331 P872 | E329-I331 PolarHBondContact O-N 3.09Å; E329-P872 HydrophobicContact CB-CB 4.25Å |
| 330 | R | 97.4 | Very high | 92.1 | Very high | 78 Ų | 78 | 28.3 Ų | 28.3 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -11.6 | 178.3 | -53.3 | 171.9 | -63.8 | 169.6 | 1.9 | 111.7 | D290 I293 K299 L300 D328 | D290-R330 IonicContact OD1-CZ 3.23Å; D290-R330 IonicContact OD1-NH1 3.78Å; D290-R330 PolarHBondContact OD1-NH1 2.89Å; D290-R330 IonicContact OD1-NH2 3.64Å; D290-R330 PolarHBondContact OD1-NH2 3.12Å; I293-R330 HydrophobicContact CD1-CB 3.58Å; I293-R330 HydrophobicContact CD1-CG 4.32Å; K299-R330 WeakPolarHBondContact CA-O 3.33Å; K299-R330 WeakPolarHBondContact CB-O 3.37Å; L300-R330 PolarHBondContact N-O 3.28Å; D328-R330 PolarHBondContact O-N 2.95Å; D328-R330 VanDerWaalsContact O-N 3.14Å; D328-R330 WeakPolarHBondContact OD1-CB 3.33Å; D328-R330 VanDerWaalsContact OD1-CG 3.26Å; D328-R330 WeakPolarHBondContact OD1-CG 3.16Å; D328-R330 IonicContact OD1-CZ 3.64Å; D328-R330 PolarHBondContact OD1-N 3.43Å; D328-R330 IonicContact OD1-NE 3.84Å; D328-R330 PolarHBondContact OD1-NE 2.8Å; D328-R330 IonicContact OD1-NH2 2.81Å; D328-R330 IonicContact OD2-CZ 3.09Å; D328-R330 IonicContact OD2-NE 2.68Å; D328-R330 PolarHBondContact OD2-NE 3.42Å; D328-R330 IonicContact OD2-NH2 2.93Å; D328-R330 PolarHBondContact OD2-NH2 2.88Å |
| 331 | I | 98.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.9 | -179.6 | -58.7 | 178 | 0 | 0 | 0 | 111.4 | F285 V289 L300 L302 V323 D328 E329 V874 | F285-I331 HydrophobicContact CE1-CD1 4.44Å; F285-I331 HydrophobicContact CZ-CD1 4.37Å; V289-I331 HydrophobicContact CG1-CD1 3.96Å; V289-I331 HydrophobicContact CG1-CG1 4.1Å; V289-I331 HydrophobicContact CG2-CD1 3.87Å; L300-I331 WeakPolarHBondContact O-CA 3.22Å; L302-I331 HydrophobicContact CD1-CG2 3.6Å; L302-I331 HydrophobicContact CG-CG2 4.01Å; V323-I331 HydrophobicContact CG1-CG2 3.89Å; D328-I331 HydrophobicContact CB-CD1 3.83Å; D328-I331 HydrophobicContact CB-CG1 4.02Å; D328-I331 PolarHBondContact O-N 3.16Å; D328-I331 VanDerWaalsContact O-N 3.14Å; E329-I331 PolarHBondContact O-N 3.09Å; I331-V874 PolarHBondContact O-N 3.46Å; I331-V874 VanDerWaalsContact O-N 3.16Å |
| 332 | V | 98.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.9 | 160.9 | -175.6 | 0 | 0 | 0 | 0 | 108 | K299 L300 I301 L302 V334 L360 V874 I876 | K299-V332 HydrophobicContact CB-CG2 4.35Å; K299-V332 HydrophobicContact CD-CG2 3.73Å; L300-V332 PolarHBondContact O-N 2.83Å; I301-V332 CarbonylContact C-O 3.56Å; I301-V332 WeakPolarHBondContact CA-O 3.42Å; I301-V332 HydrophobicContact CB-CB 4.48Å; I301-V332 HydrophobicContact CG1-CB 4.13Å; I301-V332 HydrophobicContact CG1-CG2 4.38Å; I301-V332 HydrophobicContact CG2-CB 4.35Å; I301-V332 HydrophobicContact CG2-CG1 4.47Å; L302-V332 PolarHBondContact N-O 3.34Å; V332-V334 HydrophobicContact CG1-CG2 4.29Å; V332-L360 HydrophobicContact CG1-CD1 3.91Å; V332-V874 CarbonylContact C-O 3.58Å; V332-V874 WeakPolarHBondContact CA-O 3.43Å; V332-V874 HydrophobicContact CB-CB 4.43Å; V332-V874 HydrophobicContact CG1-CB 4.09Å; V332-V874 HydrophobicContact CG1-CG1 4.09Å; V332-V874 HydrophobicContact CG2-CB 4.14Å; V332-I876 HydrophobicContact CG1-CD1 4.47Å |
| 333 | Y | 98.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127 | 178.3 | -178 | -95.6 | 0 | 0 | 0 | 111.3 | L302 N304 Y319 I320 V323 A335 V874 F875 I876 L877 | L302-Y333 HydrophobicContact CB-CD2 3.99Å; L302-Y333 HydrophobicContact CD1-CD2 4.36Å; N304-Y333 HydrophobicContact CB-CE2 4.02Å; N304-Y333 PolarHBondContact ND2-OH 3.1Å; Y319-Y333 AromaticContact CD1-CE2 3.9Å; Y319-Y333 HydrophobicContact CD1-CE2 3.9Å; Y319-Y333 AromaticContact CE1-CE2 3.96Å; Y319-Y333 HydrophobicContact CE1-CE2 3.96Å; Y319-Y333 HydrophobicContact CG-CE2 4.21Å; I320-Y333 HydrophobicContact CB-CE1 4.12Å; I320-Y333 HydrophobicContact CD1-CE1 4.17Å; I320-Y333 HydrophobicContact CG1-CE1 3.97Å; V323-Y333 HydrophobicContact CB-CD2 4.45Å; V323-Y333 HydrophobicContact CG1-CG 4.48Å; V323-Y333 HydrophobicContact CG2-CD2 3.7Å; V323-Y333 HydrophobicContact CG2-CE2 4.2Å; V323-Y333 HydrophobicContact CG2-CG 4.3Å; Y333-A335 HydrophobicContact CE1-CB 3.98Å; Y333-V874 PolarHBondContact N-O 3.31Å; Y333-F875 AromaticContact CD1-CD1 3.73Å; Y333-F875 HydrophobicContact CD1-CD1 3.73Å; Y333-F875 AromaticContact CD1-CE1 3.99Å; Y333-F875 HydrophobicContact CD1-CE1 3.99Å; Y333-F875 HydrophobicContact CG-CD1 4.22Å; Y333-F875 HydrophobicContact CG-CE1 4.21Å; Y333-F875 CarbonylContact O-C 3.51Å; Y333-F875 WeakPolarHBondContact O-CA 3.37Å; Y333-I876 PolarHBondContact O-N 3.06Å; Y333-L877 HydrophobicContact CD1-CD2 4.22Å; Y333-L877 HydrophobicContact CE1-CD2 4.28Å |
| 334 | V | 97 | Very high | 85 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 112.2 | -176.8 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | I301 L302 V303 N304 V332 L353 L357 I876 | I301-V334 HydrophobicContact CG2-CG2 3.86Å; L302-V334 PolarHBondContact O-N 3.15Å; V303-V334 HydrophobicContact CG2-CB 4.29Å; V303-V334 HydrophobicContact CG2-CG2 4.43Å; N304-V334 PolarHBondContact N-O 3.43Å; V332-V334 HydrophobicContact CG1-CG2 4.29Å; V334-L353 HydrophobicContact CG1-CD1 3.82Å; V334-L357 HydrophobicContact CB-CD2 4.49Å; V334-L357 HydrophobicContact CG1-CD2 4.08Å; V334-L357 HydrophobicContact CG2-CD2 3.75Å; V334-I876 CarbonylContact C-O 3.53Å; V334-I876 VanDerWaalsContact CA-O 3.23Å; V334-I876 WeakPolarHBondContact CA-O 3.44Å; V334-I876 HydrophobicContact CB-CB 4.48Å; V334-I876 HydrophobicContact CG1-CB 4.18Å; V334-I876 HydrophobicContact CG1-CG2 4.2Å; V334-I876 HydrophobicContact CG2-CB 4.22Å; V334-I876 HydrophobicContact CG2-CD1 4.31Å |
| 335 | A | 94 | Very high | 83.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | Y333 Y861 I876 L877 L878 | Y333-A335 HydrophobicContact CE1-CB 3.98Å; A335-Y861 HydrophobicContact CB-CE1 4.36Å; A335-Y861 HydrophobicContact CB-CE2 3.99Å; A335-Y861 WeakPolarHBondContact CB-OH 3.35Å; A335-I876 PolarHBondContact N-O 3.39Å; A335-L877 HydrophobicContact CB-CD2 3.71Å; A335-L878 WeakPolarHBondContact O-CB 3.45Å; A335-L878 PolarHBondContact O-N 3.34Å |
| 336 | F | 90.5 | Very high | 81.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | trans | -137.6 | 113 | 175.4 | 176.2 | -105.2 | 0 | 0 | 0 | 109.3 | N304 L305 F338 Y341 L353 L878 | N304-F336 PolarHBondContact O-N 3.38Å; L305-F336 HydrophobicContact CD2-CB 4.24Å; L305-F336 HydrophobicContact CD2-CD1 3.97Å; F336-F338 VanDerWaalsContact C-N 3.26Å; F336-F338 HydrophobicContact CD1-CB 4.22Å; F336-F338 HydrophobicContact CD1-CD2 4.38Å; F336-F338 HydrophobicContact CE1-CB 4.26Å; F336-F338 AromaticContact CE1-CD2 3.97Å; F336-F338 HydrophobicContact CE1-CD2 3.97Å; F336-F338 HydrophobicContact CE1-CG 4.49Å; F336-F338 PolarHBondContact O-N 2.99Å; F336-Y341 AromaticContact CD2-CD2 3.96Å; F336-Y341 HydrophobicContact CD2-CD2 3.96Å; F336-Y341 HydrophobicContact CD2-CE2 4.18Å; F336-Y341 HydrophobicContact CD2-CG 4.48Å; F336-Y341 HydrophobicContact CE2-CD1 4.12Å; F336-Y341 AromaticContact CE2-CD2 3.5Å; F336-Y341 HydrophobicContact CE2-CD2 3.5Å; F336-Y341 VanDerWaalsContact CE2-CD2 3.5Å; F336-Y341 AromaticContact CE2-CE2 3.99Å; F336-Y341 HydrophobicContact CE2-CE2 3.99Å; F336-Y341 AromaticContact CE2-CG 3.58Å; F336-Y341 HydrophobicContact CE2-CG 3.58Å; F336-Y341 AromaticContact CZ-CD2 3.98Å; F336-Y341 HydrophobicContact CZ-CD2 3.98Å; F336-Y341 AromaticContact CZ-CG 3.79Å; F336-Y341 HydrophobicContact CZ-CG 3.79Å; F336-L353 HydrophobicContact CB-CD1 4.03Å; F336-L353 HydrophobicContact CB-CD2 4.36Å; F336-L353 HydrophobicContact CD1-CB 4.41Å; F336-L353 HydrophobicContact CD1-CD2 3.91Å; F336-L353 HydrophobicContact CD2-CB 3.94Å; F336-L353 HydrophobicContact CD2-CD1 4.35Å; F336-L353 HydrophobicContact CE1-CB 4.38Å; F336-L353 HydrophobicContact CE1-CD2 4.34Å; F336-L353 HydrophobicContact CE2-CB 3.92Å; F336-L353 HydrophobicContact CG-CB 4.19Å; F336-L353 HydrophobicContact CG-CD1 4.18Å; F336-L353 HydrophobicContact CG-CD2 4.07Å; F336-L353 HydrophobicContact CG-CG 4.38Å; F336-L353 HydrophobicContact CZ-CB 4.13Å; F336-L878 HydrophobicContact CD2-CB 3.81Å; F336-L878 HydrophobicContact CD2-CD1 3.83Å; F336-L878 HydrophobicContact CD2-CG 4.5Å | ||
| 337 | N | 81.4 | Confident | 79.7 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | trans | -72.8 | 84.7 | 176.8 | -169.3 | -15 | 0 | 0 | 0 | 111.2 | D307 P308 N309 N339 D340 Y341 L878 | D307-N337 PolarHBondContact OD1-ND2 3.38Å; P308-N337 WeakPolarHBondContact CD-ND2 3.27Å; P308-N337 HydrophobicContact CG-CB 4.13Å; P308-N337 VanDerWaalsContact CG-ND2 3.34Å; P308-N337 WeakPolarHBondContact CG-ND2 3.41Å; N309-N337 PolarHBondContact ND2-ND2 3.18Å; N337-N339 PolarHBondContact O-N 3.01Å; N337-N339 VanDerWaalsContact O-N 3.13Å; N337-N339 PolarHBondContact OD1-N 2.82Å; N337-D340 HydrophobicContact CB-CB 4.15Å; N337-D340 PolarHBondContact ND2-OD2 2.69Å; N337-D340 PolarHBondContact O-N 2.96Å; N337-D340 VanDerWaalsContact O-N 3.17Å; N337-D340 PolarHBondContact OD1-N 2.93Å; N337-Y341 WeakPolarHBondContact O-CD2 3.47Å; N337-Y341 PolarHBondContact O-N 2.89Å; N337-Y341 VanDerWaalsContact O-N 3.09Å; N337-L878 PolarHBondContact N-O 2.89Å | ||
| 338 | F | 74.3 | Confident | 78.4 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -52.7 | -39.8 | -178 | -172.2 | -82.7 | 0 | 0 | 0 | 112.8 | L305 F336 C342 F347 V350 R393 L396 V397 | L305-F338 HydrophobicContact CB-CB 4.46Å; F336-F338 VanDerWaalsContact C-N 3.26Å; F336-F338 HydrophobicContact CD1-CB 4.22Å; F336-F338 HydrophobicContact CD1-CD2 4.38Å; F336-F338 HydrophobicContact CE1-CB 4.26Å; F336-F338 AromaticContact CE1-CD2 3.97Å; F336-F338 HydrophobicContact CE1-CD2 3.97Å; F336-F338 HydrophobicContact CE1-CG 4.49Å; F336-F338 PolarHBondContact O-N 2.99Å; F338-C342 HydrophobicContact CD1-CB 4.22Å; F338-C342 HydrophobicContact CE1-CB 3.85Å; F338-C342 HydrophobicContact CZ-CB 4.13Å; F338-C342 WeakPolarHBondContact O-CB 3.32Å; F338-C342 PolarHBondContact O-N 3.36Å; F338-F347 HydrophobicContact CE1-CD1 4.28Å; F338-F347 AromaticContact CE1-CE1 3.99Å; F338-F347 HydrophobicContact CE1-CE1 3.99Å; F338-F347 AromaticContact CZ-CD1 3.88Å; F338-F347 HydrophobicContact CZ-CD1 3.88Å; F338-F347 AromaticContact CZ-CE1 3.97Å; F338-F347 HydrophobicContact CZ-CE1 3.97Å; F338-V350 HydrophobicContact CE2-CG2 3.86Å; F338-R393 HydrophobicContact CD1-CG 3.8Å; F338-R393 HydrophobicContact CE1-CG 4.1Å; F338-R393 HydrophobicContact CG-CG 4.1Å; F338-L396 HydrophobicContact CE2-CD2 4.03Å; F338-L396 HydrophobicContact CZ-CD1 4.26Å; F338-L396 HydrophobicContact CZ-CD2 4.22Å; F338-V397 HydrophobicContact CD2-CG2 4.16Å; F338-V397 HydrophobicContact CE2-CG2 4.17Å |
| 339 | N | 70.7 | Confident | 77.4 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.8 | -45.5 | -177.3 | -75.5 | -9.8 | 0 | 0 | 0 | 111.1 | D307 N337 C342 R343 | D307-N339 HydrophobicContact CB-CB 4.44Å; D307-N339 WeakPolarHBondContact CB-ND2 3.43Å; D307-N339 VanDerWaalsContact OD2-CB 3.25Å; D307-N339 WeakPolarHBondContact OD2-CB 3.47Å; D307-N339 PolarHBondContact OD2-ND2 3.37Å; N337-N339 PolarHBondContact O-N 3.01Å; N337-N339 VanDerWaalsContact O-N 3.13Å; N337-N339 PolarHBondContact OD1-N 2.82Å; N339-C342 PolarHBondContact O-N 3.14Å; N339-R343 WeakPolarHBondContact O-CA 3.23Å; N339-R343 WeakPolarHBondContact O-CB 3.5Å; N339-R343 WeakPolarHBondContact O-CG 3.22Å; N339-R343 PolarHBondContact O-N 3.09Å |
| 340 | D | 69.4 | Low | 76.7 | Confident | 47 Ų | 47 | 42 Ų | 42 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.5 | -43.2 | -179.6 | -72.8 | -4.5 | 0 | 0 | 0 | 112.1 | N309 N337 R343 | N309-D340 PolarHBondContact ND2-OD2 3.48Å; N337-D340 HydrophobicContact CB-CB 4.15Å; N337-D340 PolarHBondContact ND2-OD2 2.69Å; N337-D340 PolarHBondContact O-N 2.96Å; N337-D340 VanDerWaalsContact O-N 3.17Å; N337-D340 PolarHBondContact OD1-N 2.93Å; D340-R343 IonicContact OD1-CZ 3.13Å; D340-R343 IonicContact OD1-NE 2.83Å; D340-R343 PolarHBondContact OD1-NE 2.89Å; D340-R343 VanDerWaalsContact OD1-NE 3.15Å; D340-R343 IonicContact OD1-NH2 2.61Å; D340-R343 PolarHBondContact OD1-NH2 3.33Å |
| 341 | Y | 65 | Low | 76.1 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 26% | 0.263 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70 | -41.6 | 177.3 | -78.9 | -84.8 | 0 | 0 | 0 | 112.5 | F336 N337 N349 V352 L878 | F336-Y341 AromaticContact CD2-CD2 3.96Å; F336-Y341 HydrophobicContact CD2-CD2 3.96Å; F336-Y341 HydrophobicContact CD2-CE2 4.18Å; F336-Y341 HydrophobicContact CD2-CG 4.48Å; F336-Y341 HydrophobicContact CE2-CD1 4.12Å; F336-Y341 AromaticContact CE2-CD2 3.5Å; F336-Y341 HydrophobicContact CE2-CD2 3.5Å; F336-Y341 VanDerWaalsContact CE2-CD2 3.5Å; F336-Y341 AromaticContact CE2-CE2 3.99Å; F336-Y341 HydrophobicContact CE2-CE2 3.99Å; F336-Y341 AromaticContact CE2-CG 3.58Å; F336-Y341 HydrophobicContact CE2-CG 3.58Å; F336-Y341 AromaticContact CZ-CD2 3.98Å; F336-Y341 HydrophobicContact CZ-CD2 3.98Å; F336-Y341 AromaticContact CZ-CG 3.79Å; F336-Y341 HydrophobicContact CZ-CG 3.79Å; N337-Y341 WeakPolarHBondContact O-CD2 3.47Å; N337-Y341 PolarHBondContact O-N 2.89Å; N337-Y341 VanDerWaalsContact O-N 3.09Å; Y341-N349 PolarHBondContact O-ND2 3.43Å; Y341-V352 HydrophobicContact CE1-CG1 4.38Å; Y341-L878 HydrophobicContact CE2-CB 4.42Å; Y341-L878 WeakPolarHBondContact CE2-OXT 3.26Å; Y341-L878 VanDerWaalsContact CZ-OXT 3.3Å; Y341-L878 PolarHBondContact OH-OXT 2.95Å |
| 342 | C | 59.9 | Low | 75.7 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -99.5 | 15.3 | -174.3 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | F338 N339 L345 F347 | F338-C342 HydrophobicContact CD1-CB 4.22Å; F338-C342 HydrophobicContact CE1-CB 3.85Å; F338-C342 HydrophobicContact CZ-CB 4.13Å; F338-C342 WeakPolarHBondContact O-CB 3.32Å; F338-C342 PolarHBondContact O-N 3.36Å; N339-C342 PolarHBondContact O-N 3.14Å; C342-L345 PolarHBondContact O-N 3.49Å; C342-F347 HydrophobicContact CB-CD1 3.82Å; C342-F347 HydrophobicContact CB-CE1 4.16Å |
| 343 | R | 60 | Low | 75.4 | Confident | 157 Ų | 157 | 44.2 Ų | 44.2 | 59% | 0.592 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -56.1 | 143 | 172.8 | -103.7 | 165.6 | -151.8 | -145.3 | 12 | 109.9 | N339 D340 L345 | N339-R343 WeakPolarHBondContact O-CA 3.23Å; N339-R343 WeakPolarHBondContact O-CB 3.5Å; N339-R343 WeakPolarHBondContact O-CG 3.22Å; N339-R343 PolarHBondContact O-N 3.09Å; D340-R343 IonicContact OD1-CZ 3.13Å; D340-R343 IonicContact OD1-NE 2.83Å; D340-R343 PolarHBondContact OD1-NE 2.89Å; D340-R343 VanDerWaalsContact OD1-NE 3.15Å; D340-R343 IonicContact OD1-NH2 2.61Å; D340-R343 PolarHBondContact OD1-NH2 3.33Å; R343-L345 VanDerWaalsContact C-N 3.29Å; R343-L345 PolarHBondContact O-N 2.89Å |
| 344 | G | 52 | Low | 75.3 | Confident | 70 Ų | 70 | 45 Ų | 45 | 72% | 0.722 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | 64.5 | 30.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | R346 | G344-R346 VanDerWaalsContact C-N 3.25Å; G344-R346 PolarHBondContact O-N 3.49Å |
| 345 | L | 56.7 | Low | 75.1 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | 67 | 16.8 | 175.6 | -47.4 | 172.3 | 0 | 0 | 0 | 115.4 | C342 R343 F347 R461 M466 | C342-L345 PolarHBondContact O-N 3.49Å; R343-L345 VanDerWaalsContact C-N 3.29Å; R343-L345 PolarHBondContact O-N 2.89Å; L345-F347 HydrophobicContact CB-CD2 4.47Å; L345-F347 HydrophobicContact CB-CE2 4.16Å; L345-F347 HydrophobicContact CD2-CE2 3.92Å; L345-F347 HydrophobicContact CD2-CZ 4.18Å; L345-F347 WeakPolarHBondContact O-CD2 3.16Å; L345-F347 PolarHBondContact O-N 2.93Å; L345-R461 HydrophobicContact CB-CB 4.4Å; L345-R461 HydrophobicContact CB-CG 4.47Å; L345-R461 HydrophobicContact CD1-CB 4.26Å; L345-R461 HydrophobicContact CD1-CG 3.81Å; L345-R461 HydrophobicContact CD2-CG 3.86Å; L345-R461 HydrophobicContact CG-CG 4.24Å; L345-M466 HydrophobicContact CD1-CE 4.03Å; L345-M466 HydrophobicContact CD1-SD 3.54Å; L345-M466 VanDerWaalsContact CD1-SD 3.54Å; L345-M466 HydrophobicContact CD2-CE 4.48Å; L345-M466 HydrophobicContact CD2-SD 4.44Å |
| 346 | R | 59.8 | Low | 75.2 | Confident | 151 Ų | 151 | 51.2 Ų | 51.2 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | trans | -77.1 | 56.1 | 176.8 | -60.9 | -177.2 | -171.5 | 179.4 | 2 | 112.1 | G344 E348 N349 | G344-R346 VanDerWaalsContact C-N 3.25Å; G344-R346 PolarHBondContact O-N 3.49Å; R346-E348 PolarHBondContact O-N 3.34Å; R346-N349 WeakPolarHBondContact O-CB 3.42Å; R346-N349 PolarHBondContact O-N 3.38Å | ||
| 347 | F | 62 | Low | 75.4 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -67.4 | -13 | -179.3 | -63 | -64.3 | 0 | 0 | 0 | 112.5 | F338 C342 L345 N349 V350 L396 K452 Y455 R461 | F338-F347 HydrophobicContact CE1-CD1 4.28Å; F338-F347 AromaticContact CE1-CE1 3.99Å; F338-F347 HydrophobicContact CE1-CE1 3.99Å; F338-F347 AromaticContact CZ-CD1 3.88Å; F338-F347 HydrophobicContact CZ-CD1 3.88Å; F338-F347 AromaticContact CZ-CE1 3.97Å; F338-F347 HydrophobicContact CZ-CE1 3.97Å; C342-F347 HydrophobicContact CB-CD1 3.82Å; C342-F347 HydrophobicContact CB-CE1 4.16Å; L345-F347 HydrophobicContact CB-CD2 4.47Å; L345-F347 HydrophobicContact CB-CE2 4.16Å; L345-F347 HydrophobicContact CD2-CE2 3.92Å; L345-F347 HydrophobicContact CD2-CZ 4.18Å; L345-F347 WeakPolarHBondContact O-CD2 3.16Å; L345-F347 PolarHBondContact O-N 2.93Å; F347-N349 PolarHBondContact O-N 3.01Å; F347-N349 VanDerWaalsContact O-N 3.16Å; F347-V350 WeakPolarHBondContact O-CB 3.46Å; F347-V350 WeakPolarHBondContact O-CG2 3.49Å; F347-V350 PolarHBondContact O-N 2.83Å; F347-V350 VanDerWaalsContact O-N 3.09Å; F347-L396 HydrophobicContact CD1-CD1 4.04Å; F347-L396 HydrophobicContact CE1-CD1 4.39Å; F347-L396 HydrophobicContact CG-CD1 4.48Å; F347-K452 HydrophobicContact CE1-CD 3.86Å; F347-K452 HydrophobicContact CZ-CD 3.71Å; F347-K452 HydrophobicContact CZ-CG 4.39Å; F347-Y455 VanDerWaalsContact C-OH 3.28Å; F347-Y455 HydrophobicContact CB-CD1 4.04Å; F347-Y455 HydrophobicContact CB-CD2 4.04Å; F347-Y455 HydrophobicContact CB-CE1 3.42Å; F347-Y455 VanDerWaalsContact CB-CE1 3.42Å; F347-Y455 HydrophobicContact CB-CE2 3.43Å; F347-Y455 VanDerWaalsContact CB-CE2 3.43Å; F347-Y455 HydrophobicContact CB-CG 4.32Å; F347-Y455 WeakPolarHBondContact CB-OH 3.49Å; F347-Y455 HydrophobicContact CD2-CD1 4.21Å; F347-Y455 AromaticContact CD2-CD2 3.48Å; F347-Y455 HydrophobicContact CD2-CD2 3.48Å; F347-Y455 VanDerWaalsContact CD2-CD2 3.48Å; F347-Y455 HydrophobicContact CD2-CE1 4.39Å; F347-Y455 AromaticContact CD2-CE2 3.71Å; F347-Y455 HydrophobicContact CD2-CE2 3.71Å; F347-Y455 AromaticContact CD2-CG 3.76Å; F347-Y455 HydrophobicContact CD2-CG 3.76Å; F347-Y455 HydrophobicContact CE2-CD2 4.29Å; F347-Y455 HydrophobicContact CE2-CG 4.35Å; F347-Y455 HydrophobicContact CG-CD1 4.15Å; F347-Y455 HydrophobicContact CG-CD2 4.08Å; F347-Y455 HydrophobicContact CG-CE1 4.03Å; F347-Y455 AromaticContact CG-CE2 3.97Å; F347-Y455 HydrophobicContact CG-CE2 3.97Å; F347-Y455 HydrophobicContact CG-CG 4.17Å; F347-Y455 AromaticContact CG-CZ 3.96Å; F347-Y455 PolarHBondContact O-OH 2.69Å; F347-R461 HydrophobicContact CE2-CB 4.32Å; F347-R461 HydrophobicContact CE2-CG 4.31Å |
| 348 | E | 67.8 | Low | 76.1 | Confident | 113 Ų | 113 | 55 Ų | 55 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -55.6 | -24.8 | 166.5 | 61.1 | -94.2 | -164.3 | 0 | 0 | 112.5 | R346 V350 S351 Y455 | R346-E348 PolarHBondContact O-N 3.34Å; E348-V350 PolarHBondContact O-N 3.04Å; E348-V350 VanDerWaalsContact O-N 3.13Å; E348-S351 WeakPolarHBondContact O-CB 3.3Å; E348-S351 PolarHBondContact O-N 3.45Å; E348-S351 PolarHBondContact O-OG 3.16Å; E348-Y455 PolarHBondContact N-OH 3.42Å |
| 349 | N | 76.1 | Confident | 77.1 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -68.4 | -9.9 | 178.1 | -69.1 | -21.1 | 0 | 0 | 0 | 113.7 | Y341 R346 F347 S351 V352 | Y341-N349 PolarHBondContact O-ND2 3.43Å; R346-N349 WeakPolarHBondContact O-CB 3.42Å; R346-N349 PolarHBondContact O-N 3.38Å; F347-N349 PolarHBondContact O-N 3.01Å; F347-N349 VanDerWaalsContact O-N 3.16Å; N349-S351 PolarHBondContact O-N 3.35Å; N349-V352 VanDerWaalsContact O-CB 3.29Å; N349-V352 WeakPolarHBondContact O-CB 3.39Å; N349-V352 WeakPolarHBondContact O-CG2 3.38Å; N349-V352 PolarHBondContact O-N 2.65Å |
| 350 | V | 82.1 | Confident | 78.3 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -25 | 165.8 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | F338 F347 E348 V352 L353 I354 L396 A400 | F338-V350 HydrophobicContact CE2-CG2 3.86Å; F347-V350 WeakPolarHBondContact O-CB 3.46Å; F347-V350 WeakPolarHBondContact O-CG2 3.49Å; F347-V350 PolarHBondContact O-N 2.83Å; F347-V350 VanDerWaalsContact O-N 3.09Å; E348-V350 PolarHBondContact O-N 3.04Å; E348-V350 VanDerWaalsContact O-N 3.13Å; V350-V352 PolarHBondContact O-N 3.31Å; V350-L353 WeakPolarHBondContact O-CB 3.5Å; V350-L353 PolarHBondContact O-N 2.98Å; V350-L353 VanDerWaalsContact O-N 3.16Å; V350-I354 HydrophobicContact CG1-CG1 4.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.45Å; V350-I354 PolarHBondContact O-N 2.77Å; V350-L396 HydrophobicContact CB-CD2 4.38Å; V350-L396 HydrophobicContact CG1-CD2 4.3Å; V350-L396 HydrophobicContact CG2-CD2 3.62Å; V350-A400 HydrophobicContact CG1-CB 3.74Å |
| 351 | S | 85.2 | Confident | 79.5 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.2 | -32.4 | 170.6 | 63.4 | 0 | 0 | 0 | 0 | 112.8 | E348 N349 I354 S355 | E348-S351 WeakPolarHBondContact O-CB 3.3Å; E348-S351 PolarHBondContact O-N 3.45Å; E348-S351 PolarHBondContact O-OG 3.16Å; N349-S351 PolarHBondContact O-N 3.35Å; S351-I354 PolarHBondContact O-N 3.11Å; S351-S355 WeakPolarHBondContact O-CB 3.5Å; S351-S355 PolarHBondContact O-N 3.13Å; S351-S355 PolarHBondContact O-OG 2.94Å |
| 352 | V | 89.2 | Confident | 80.9 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 35% | 0.345 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | Y341 N349 V350 S355 A356 | Y341-V352 HydrophobicContact CE1-CG1 4.38Å; N349-V352 VanDerWaalsContact O-CB 3.29Å; N349-V352 WeakPolarHBondContact O-CB 3.39Å; N349-V352 WeakPolarHBondContact O-CG2 3.38Å; N349-V352 PolarHBondContact O-N 2.65Å; V350-V352 PolarHBondContact O-N 3.31Å; V352-S355 PolarHBondContact O-N 2.98Å; V352-A356 PolarHBondContact O-N 3.03Å |
| 353 | L | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 174 | 174.2 | 62.4 | 0 | 0 | 0 | 110.8 | V303 L305 V334 F336 V350 S355 A356 L357 V397 L878 | V303-L353 HydrophobicContact CG1-CD2 4.33Å; L305-L353 HydrophobicContact CD2-CD2 4.4Å; V334-L353 HydrophobicContact CG1-CD1 3.82Å; F336-L353 HydrophobicContact CB-CD1 4.03Å; F336-L353 HydrophobicContact CB-CD2 4.36Å; F336-L353 HydrophobicContact CD1-CB 4.41Å; F336-L353 HydrophobicContact CD1-CD2 3.91Å; F336-L353 HydrophobicContact CD2-CB 3.94Å; F336-L353 HydrophobicContact CD2-CD1 4.35Å; F336-L353 HydrophobicContact CE1-CB 4.38Å; F336-L353 HydrophobicContact CE1-CD2 4.34Å; F336-L353 HydrophobicContact CE2-CB 3.92Å; F336-L353 HydrophobicContact CG-CB 4.19Å; F336-L353 HydrophobicContact CG-CD1 4.18Å; F336-L353 HydrophobicContact CG-CD2 4.07Å; F336-L353 HydrophobicContact CG-CG 4.38Å; F336-L353 HydrophobicContact CZ-CB 4.13Å; V350-L353 WeakPolarHBondContact O-CB 3.5Å; V350-L353 PolarHBondContact O-N 2.98Å; V350-L353 VanDerWaalsContact O-N 3.16Å; L353-S355 PolarHBondContact O-N 2.97Å; L353-A356 PolarHBondContact O-N 2.68Å; L353-L357 HydrophobicContact CD1-CD1 3.74Å; L353-L357 HydrophobicContact CD1-CG 3.98Å; L353-L357 HydrophobicContact CG-CD1 3.93Å; L353-L357 HydrophobicContact CG-CG 4.43Å; L353-L357 VanDerWaalsContact O-CG 3.29Å; L353-L357 WeakPolarHBondContact O-CG 3.36Å; L353-L357 PolarHBondContact O-N 2.88Å; L353-V397 HydrophobicContact CD2-CG1 3.72Å; L353-V397 HydrophobicContact CD2-CG2 4.1Å; L353-L878 HydrophobicContact CB-CD1 4.44Å; L353-L878 HydrophobicContact CD1-CD1 3.83Å |
| 354 | I | 94.2 | Very high | 84.4 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 179.9 | -64.8 | -53.7 | 0 | 0 | 0 | 111.6 | V350 S351 A356 L357 Q358 A400 I401 C404 | V350-I354 HydrophobicContact CG1-CG1 4.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.45Å; V350-I354 PolarHBondContact O-N 2.77Å; S351-I354 PolarHBondContact O-N 3.11Å; I354-A356 VanDerWaalsContact C-N 3.32Å; I354-A356 PolarHBondContact O-N 3.34Å; I354-L357 CarbonylContact O-C 3.43Å; I354-L357 PolarHBondContact O-N 3.43Å; I354-L357 VanDerWaalsContact O-N 3.09Å; I354-Q358 PolarHBondContact O-N 2.89Å; I354-A400 HydrophobicContact CD1-CB 3.76Å; I354-A400 HydrophobicContact CG1-CB 3.89Å; I354-I401 HydrophobicContact CD1-CG1 3.73Å; I354-C404 WeakPolarHBondContact CG2-SG 3.18Å |
| 355 | S | 94 | Very high | 86.5 | Confident | 91 Ų | 91 | 54.6 Ų | 54.6 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 175.6 | -64 | 0 | 0 | 0 | 0 | 111.9 | S351 V352 L353 L357 Q358 | S351-S355 WeakPolarHBondContact O-CB 3.5Å; S351-S355 PolarHBondContact O-N 3.13Å; S351-S355 PolarHBondContact O-OG 2.94Å; V352-S355 PolarHBondContact O-N 2.98Å; L353-S355 PolarHBondContact O-N 2.97Å; S355-L357 VanDerWaalsContact C-N 3.29Å; S355-L357 PolarHBondContact O-N 3.2Å; S355-Q358 WeakPolarHBondContact O-CB 3.1Å; S355-Q358 PolarHBondContact O-N 2.8Å |
| 356 | A | 95 | Very high | 88.4 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.4 | -30.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V352 L353 I354 I876 L878 | V352-A356 PolarHBondContact O-N 3.03Å; L353-A356 PolarHBondContact O-N 2.68Å; I354-A356 VanDerWaalsContact C-N 3.32Å; I354-A356 PolarHBondContact O-N 3.34Å; A356-I876 HydrophobicContact CB-CG2 4.34Å; A356-L878 HydrophobicContact CB-CD1 3.89Å; A356-L878 HydrophobicContact CB-CD2 4.33Å |
| 357 | L | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -90 | -7.9 | 179.4 | -62.9 | -178.7 | 0 | 0 | 0 | 114.1 | V303 V334 L353 I354 S355 K359 L360 I361 F383 I401 I876 | V303-L357 HydrophobicContact CG2-CD1 4.34Å; V334-L357 HydrophobicContact CB-CD2 4.49Å; V334-L357 HydrophobicContact CG1-CD2 4.08Å; V334-L357 HydrophobicContact CG2-CD2 3.75Å; L353-L357 HydrophobicContact CD1-CD1 3.74Å; L353-L357 HydrophobicContact CD1-CG 3.98Å; L353-L357 HydrophobicContact CG-CD1 3.93Å; L353-L357 HydrophobicContact CG-CG 4.43Å; L353-L357 VanDerWaalsContact O-CG 3.29Å; L353-L357 WeakPolarHBondContact O-CG 3.36Å; L353-L357 PolarHBondContact O-N 2.88Å; I354-L357 CarbonylContact O-C 3.43Å; I354-L357 PolarHBondContact O-N 3.43Å; I354-L357 VanDerWaalsContact O-N 3.09Å; S355-L357 VanDerWaalsContact C-N 3.29Å; S355-L357 PolarHBondContact O-N 3.2Å; L357-K359 VanDerWaalsContact C-N 3.29Å; L357-K359 PolarHBondContact O-N 3.01Å; L357-K359 VanDerWaalsContact O-N 3.14Å; L357-L360 HydrophobicContact CD2-CD1 3.93Å; L357-L360 WeakPolarHBondContact O-CA 3.44Å; L357-L360 WeakPolarHBondContact O-CB 3.28Å; L357-L360 PolarHBondContact O-N 3.3Å; L357-I361 HydrophobicContact CB-CD1 4.07Å; L357-I361 HydrophobicContact CB-CG1 4.23Å; L357-I361 WeakPolarHBondContact O-CG1 3.45Å; L357-I361 PolarHBondContact O-N 3.17Å; L357-F383 HydrophobicContact CB-CE1 4.49Å; L357-F383 HydrophobicContact CD1-CE1 4.04Å; L357-F383 HydrophobicContact CD2-CE1 4.35Å; L357-I401 HydrophobicContact CD1-CD1 4.41Å; L357-I876 HydrophobicContact CD2-CD1 4.3Å |
| 358 | Q | 94.3 | Very high | 91.8 | Very high | 90 Ų | 90 | 46.9 Ų | 46.9 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -51 | -46.6 | -169.5 | -174.1 | 64.8 | 18.5 | 0 | 0 | 112.9 | I354 S355 L360 I361 V362 | I354-Q358 PolarHBondContact O-N 2.89Å; S355-Q358 WeakPolarHBondContact O-CB 3.1Å; S355-Q358 PolarHBondContact O-N 2.8Å; Q358-L360 PolarHBondContact O-N 2.98Å; Q358-I361 PolarHBondContact O-N 2.95Å; Q358-V362 WeakPolarHBondContact O-CG2 3.47Å; Q358-V362 PolarHBondContact O-N 2.94Å; Q358-V362 VanDerWaalsContact O-N 3.1Å |
| 359 | K | 95.1 | Very high | 93.1 | Very high | 145 Ų | 145 | 41.7 Ų | 41.7 | 63% | 0.63 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.4 | -46.4 | 177.8 | -178.5 | 178.5 | 172.9 | -178.5 | 0 | 111.9 | L357 I361 V362 E363 | L357-K359 VanDerWaalsContact C-N 3.29Å; L357-K359 PolarHBondContact O-N 3.01Å; L357-K359 VanDerWaalsContact O-N 3.14Å; K359-I361 VanDerWaalsContact C-N 3.35Å; K359-I361 PolarHBondContact O-N 3.49Å; K359-V362 PolarHBondContact O-N 3.39Å; K359-E363 WeakPolarHBondContact CE-OE1 3.31Å; K359-E363 HydrophobicContact CG-CG 4.36Å; K359-E363 IonicContact NZ-OE1 2.66Å; K359-E363 WeakPolarHBondContact O-CB 3.42Å; K359-E363 WeakPolarHBondContact O-CG 3.37Å; K359-E363 PolarHBondContact O-N 3.47Å |
| 360 | L | 96.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -38 | 179.5 | -61.9 | 172.2 | 0 | 0 | 0 | 111.7 | I301 V332 L357 Q358 M364 F383 I876 | I301-L360 HydrophobicContact CG1-CD1 4.32Å; I301-L360 HydrophobicContact CG2-CD1 4.41Å; V332-L360 HydrophobicContact CG1-CD1 3.91Å; L357-L360 HydrophobicContact CD2-CD1 3.93Å; L357-L360 WeakPolarHBondContact O-CA 3.44Å; L357-L360 WeakPolarHBondContact O-CB 3.28Å; L357-L360 PolarHBondContact O-N 3.3Å; Q358-L360 PolarHBondContact O-N 2.98Å; L360-M364 VanDerWaalsContact O-CB 3.3Å; L360-M364 WeakPolarHBondContact O-CB 3.2Å; L360-M364 PolarHBondContact O-N 2.81Å; L360-F383 HydrophobicContact CB-CZ 4.08Å; L360-I876 HydrophobicContact CD1-CD1 3.92Å |
| 361 | I | 95.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 176.3 | -66.8 | 171 | 0 | 0 | 0 | 109.5 | L357 Q358 K359 F383 I401 C404 K405 | L357-I361 HydrophobicContact CB-CD1 4.07Å; L357-I361 HydrophobicContact CB-CG1 4.23Å; L357-I361 WeakPolarHBondContact O-CG1 3.45Å; L357-I361 PolarHBondContact O-N 3.17Å; Q358-I361 PolarHBondContact O-N 2.95Å; K359-I361 VanDerWaalsContact C-N 3.35Å; K359-I361 PolarHBondContact O-N 3.49Å; I361-F383 HydrophobicContact CB-CZ 4.45Å; I361-F383 HydrophobicContact CG1-CE1 4.49Å; I361-F383 HydrophobicContact CG1-CE2 3.96Å; I361-F383 HydrophobicContact CG1-CZ 3.59Å; I361-I401 HydrophobicContact CD1-CG2 4.27Å; I361-I401 HydrophobicContact CG1-CG2 4.27Å; I361-C404 HydrophobicContact CD1-CB 4.48Å; I361-C404 HydrophobicContact CG2-CB 4.45Å; I361-K405 PolarHBondContact O-NZ 3.34Å |
| 362 | V | 94.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 50 Ų | 50 | 44% | 0.436 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -49.4 | 179.9 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | Q358 K359 M364 G365 | Q358-V362 WeakPolarHBondContact O-CG2 3.47Å; Q358-V362 PolarHBondContact O-N 2.94Å; Q358-V362 VanDerWaalsContact O-N 3.1Å; K359-V362 PolarHBondContact O-N 3.39Å; V362-M364 VanDerWaalsContact C-N 3.28Å; V362-M364 PolarHBondContact O-N 2.95Å; V362-G365 PolarHBondContact O-N 3.01Å; V362-G365 VanDerWaalsContact O-N 3.11Å |
| 363 | E | 95.2 | Very high | 94.4 | Very high | 118 Ų | 118 | 49.5 Ų | 49.5 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.8 | -32.7 | -177 | -75 | 177.6 | 167.3 | 0 | 0 | 113.5 | K359 G365 | K359-E363 WeakPolarHBondContact CE-OE1 3.31Å; K359-E363 HydrophobicContact CG-CG 4.36Å; K359-E363 IonicContact NZ-OE1 2.66Å; K359-E363 WeakPolarHBondContact O-CB 3.42Å; K359-E363 WeakPolarHBondContact O-CG 3.37Å; K359-E363 PolarHBondContact O-N 3.47Å; E363-G365 PolarHBondContact O-N 3.45Å |
| 364 | M | 96.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.2 | 178.1 | -173.7 | 173.1 | -66.9 | 0 | 0 | 113.2 | F250 I301 L360 V362 Q379 K380 V382 F383 | F250-M364 HydrophobicContact CE2-SD 4.03Å; F250-M364 HydrophobicContact CZ-SD 4.43Å; I301-M364 HydrophobicContact CD1-CE 3.27Å; I301-M364 HydrophobicContact CG1-CE 4.03Å; L360-M364 VanDerWaalsContact O-CB 3.3Å; L360-M364 WeakPolarHBondContact O-CB 3.2Å; L360-M364 PolarHBondContact O-N 2.81Å; V362-M364 VanDerWaalsContact C-N 3.28Å; V362-M364 PolarHBondContact O-N 2.95Å; M364-Q379 HydrophobicContact CG-CG 3.92Å; M364-K380 PolarHBondContact O-N 2.84Å; M364-V382 VanDerWaalsContact CE-C 3.5Å; M364-F383 HydrophobicContact CE-CD2 3.47Å; M364-F383 VanDerWaalsContact CE-CD2 3.47Å; M364-F383 HydrophobicContact CE-CE2 3.42Å; M364-F383 VanDerWaalsContact CE-CE2 3.42Å; M364-F383 HydrophobicContact CE-CG 4.17Å; M364-F383 HydrophobicContact CE-CZ 4.09Å; M364-F383 HydrophobicContact SD-CD2 3.52Å; M364-F383 VanDerWaalsContact SD-CD2 3.52Å; M364-F383 HydrophobicContact SD-CE2 3.6Å; M364-F383 VanDerWaalsContact SD-CE2 3.6Å |
| 365 | G | 96.2 | Very high | 94 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | 63.9 | -153.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V362 E363 K405 | V362-G365 PolarHBondContact O-N 3.01Å; V362-G365 VanDerWaalsContact O-N 3.11Å; E363-G365 PolarHBondContact O-N 3.45Å; G365-K405 PolarHBondContact O-NZ 3.3Å | ||
| 366 | F | 97.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.022 | 31% | 0.305 | C | S | . | . | trans | -162.9 | 165.1 | 172.8 | 56.4 | -90.4 | 0 | 0 | 0 | 108.5 | S249 F250 W368 C377 L378 Q379 K405 E408 Q409 R412 | S249-F366 WeakPolarHBondContact O-CB 3.37Å; F250-F366 HydrophobicContact CB-CB 4.3Å; F250-F366 HydrophobicContact CD2-CB 4.27Å; F366-W368 HydrophobicContact CD2-CB 4.28Å; F366-W368 HydrophobicContact CE2-CB 3.88Å; F366-W368 HydrophobicContact CE2-CG 4.36Å; F366-C377 PolarHBondContact O-SG 2.77Å; F366-L378 CarbonylContact O-C 3.45Å; F366-Q379 PolarHBondContact O-N 2.82Å; F366-K405 HydrophobicContact CB-CD 4.2Å; F366-K405 HydrophobicContact CD1-CD 3.73Å; F366-K405 HydrophobicContact CG-CD 4.3Å; F366-E408 HydrophobicContact CE1-CG 4.23Å; F366-Q409 HydrophobicContact CD1-CG 4.08Å; F366-Q409 HydrophobicContact CD2-CG 3.97Å; F366-Q409 HydrophobicContact CE1-CG 3.97Å; F366-Q409 HydrophobicContact CE2-CG 3.87Å; F366-Q409 HydrophobicContact CG-CG 4.07Å; F366-Q409 HydrophobicContact CZ-CB 4.44Å; F366-Q409 HydrophobicContact CZ-CG 3.86Å; F366-R412 HydrophobicContact CE1-CG 4.35Å; F366-R412 HydrophobicContact CZ-CB 4.26Å; F366-R412 HydrophobicContact CZ-CG 4.03Å | ||
| 367 | C | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.9 | 172.1 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | Q142 S248 S249 C377 | Q142-C367 HydrophobicContact CB-CB 3.88Å; Q142-C367 HydrophobicContact CG-CB 4.37Å; S248-C367 CarbonylContact C-O 3.46Å; S248-C367 WeakPolarHBondContact CA-O 3.25Å; S249-C367 PolarHBondContact N-O 2.98Å; S249-C367 PolarHBondContact O-N 2.88Å; C367-C377 CarbonylContact C-O 3.56Å; C367-C377 WeakPolarHBondContact CA-O 3.08Å |
| 368 | W | 96.9 | Very high | 93.8 | Very high | 57 Ų | 57 | 58 Ų | 58 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 117.4 | 173.8 | -177 | 9.2 | 0 | 0 | 0 | 109.8 | H246 F366 A375 A376 C377 R412 F413 | H246-W368 AromaticContact CG-NE1 3.6Å; H246-W368 AromaticContact ND1-CE2 3.67Å; H246-W368 AromaticContact ND1-CZ2 3.7Å; H246-W368 AromaticContact ND1-NE1 3.1Å; H246-W368 PolarHBondContact ND1-NE1 3.06Å; F366-W368 HydrophobicContact CD2-CB 4.28Å; F366-W368 HydrophobicContact CE2-CB 3.88Å; F366-W368 HydrophobicContact CE2-CG 4.36Å; W368-A375 CarbonylContact O-C 3.59Å; W368-A375 WeakPolarHBondContact O-CA 3.46Å; W368-A376 HydrophobicContact CD2-CB 4.33Å; W368-A376 HydrophobicContact CE3-CB 4.43Å; W368-A376 HydrophobicContact CG-CB 4.4Å; W368-A376 PolarHBondContact O-N 2.82Å; W368-C377 WeakPolarHBondContact CB-SG 3.46Å; W368-C377 PolarHBondContact N-O 2.99Å; W368-C377 PolarHBondContact O-N 3.44Å; W368-R412 HydrophobicContact CZ3-CB 4.48Å; W368-F413 AromaticContact CD1-CE1 3.76Å; W368-F413 HydrophobicContact CD2-CE1 4.33Å; W368-F413 AromaticContact CE2-CE1 3.74Å; W368-F413 HydrophobicContact CG-CE1 4.36Å; W368-F413 HydrophobicContact CZ2-CD1 4.14Å; W368-F413 HydrophobicContact CZ2-CE1 4.2Å; W368-F413 AromaticContact NE1-CE1 3.36Å |
| 369 | V | 95.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.8 | 169.3 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | L35 V141 V145 V247 D374 | L35-V369 HydrophobicContact CD1-CB 4.41Å; L35-V369 HydrophobicContact CD1-CG1 4.17Å; L35-V369 HydrophobicContact CD1-CG2 4.19Å; V141-V369 HydrophobicContact CG1-CG2 4.07Å; V145-V369 HydrophobicContact CB-CG2 4.49Å; V145-V369 HydrophobicContact CG1-CG2 3.81Å; V145-V369 HydrophobicContact CG2-CG2 4.25Å; V247-V369 HydrophobicContact CB-CB 4.32Å; V247-V369 PolarHBondContact N-O 3.1Å; V247-V369 PolarHBondContact O-N 3.05Å; V369-D374 CarbonylContact C-O 3.49Å; V369-D374 WeakPolarHBondContact CA-O 3.31Å |
| 370 | D | 93 | Very high | 93.9 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | trans | -77.5 | 179.1 | 179.2 | 81.3 | 1.1 | 0 | 0 | 0 | 112.4 | N372 G373 D374 | D370-N372 PolarHBondContact O-N 3.15Å; D370-N372 VanDerWaalsContact OD1-CA 3.31Å; D370-N372 WeakPolarHBondContact OD1-CA 3.44Å; D370-N372 VanDerWaalsContact OD1-CB 3.28Å; D370-N372 WeakPolarHBondContact OD1-CB 3.45Å; D370-N372 PolarHBondContact OD1-N 3.45Å; D370-N372 PolarHBondContact OD2-ND2 3.49Å; D370-G373 PolarHBondContact O-N 2.95Å; D370-G373 VanDerWaalsContact O-N 3.09Å; D370-G373 PolarHBondContact OD1-N 3.39Å; D370-D374 PolarHBondContact N-O 3.09Å; D370-D374 PolarHBondContact OD1-N 2.88Å | ||
| 371 | K | 90.2 | Very high | 94 | Very high | 145 Ų | 145 | 52.9 Ų | 52.9 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.4 | 178.5 | 65.8 | -176.1 | 179.2 | -177.5 | 0 | 114.3 | D245 G373 | D245-K371 HydrophobicContact CB-CB 4.36Å; K371-G373 VanDerWaalsContact C-N 3.33Å |
| 372 | N | 89 | Confident | 94.1 | Very high | 115 Ų | 115 | 52.9 Ų | 52.9 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12.2 | 177.1 | -51.3 | -47.9 | 0 | 0 | 0 | 111.4 | D370 | D370-N372 PolarHBondContact O-N 3.15Å; D370-N372 VanDerWaalsContact OD1-CA 3.31Å; D370-N372 WeakPolarHBondContact OD1-CA 3.44Å; D370-N372 VanDerWaalsContact OD1-CB 3.28Å; D370-N372 WeakPolarHBondContact OD1-CB 3.45Å; D370-N372 PolarHBondContact OD1-N 3.45Å; D370-N372 PolarHBondContact OD2-ND2 3.49Å |
| 373 | G | 86.8 | Confident | 94.3 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 93.1 | 5.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D370 K371 | D370-G373 PolarHBondContact O-N 2.95Å; D370-G373 VanDerWaalsContact O-N 3.09Å; D370-G373 PolarHBondContact OD1-N 3.39Å; K371-G373 VanDerWaalsContact C-N 3.33Å |
| 374 | D | 89 | Confident | 94.5 | Very high | 105 Ų | 105 | 43.8 Ų | 43.8 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | trans | -88.2 | 140.9 | -178.9 | -65.7 | -45.2 | 0 | 0 | 0 | 110.9 | V369 D370 A376 | V369-D374 CarbonylContact C-O 3.49Å; V369-D374 WeakPolarHBondContact CA-O 3.31Å; D370-D374 PolarHBondContact N-O 3.09Å; D370-D374 PolarHBondContact OD1-N 2.88Å; D374-A376 PolarHBondContact O-N 2.84Å; D374-A376 VanDerWaalsContact O-N 3.1Å | ||
| 375 | A | 90.7 | Very high | 94.5 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 96 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | V145 W368 L378 | V145-A375 HydrophobicContact CG2-CB 3.99Å; W368-A375 CarbonylContact O-C 3.59Å; W368-A375 WeakPolarHBondContact O-CA 3.46Å; A375-L378 HydrophobicContact CB-CD2 3.9Å |
| 376 | A | 92 | Very high | 94.3 | Very high | 64 Ų | 64 | 42.5 Ų | 42.5 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -36.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W368 D374 | W368-A376 HydrophobicContact CD2-CB 4.33Å; W368-A376 HydrophobicContact CE3-CB 4.43Å; W368-A376 HydrophobicContact CG-CB 4.4Å; W368-A376 PolarHBondContact O-N 2.82Å; D374-A376 PolarHBondContact O-N 2.84Å; D374-A376 VanDerWaalsContact O-N 3.1Å |
| 377 | C | 93 | Very high | 93.7 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 34% | 0.338 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 161.4 | 170 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | F366 C367 W368 | F366-C377 PolarHBondContact O-SG 2.77Å; C367-C377 CarbonylContact C-O 3.56Å; C367-C377 WeakPolarHBondContact CA-O 3.08Å; W368-C377 WeakPolarHBondContact CB-SG 3.46Å; W368-C377 PolarHBondContact N-O 2.99Å; W368-C377 PolarHBondContact O-N 3.44Å |
| 378 | L | 95.1 | Very high | 93 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 34% | 0.335 | 24% | 0.237 | S | C | . | . | trans | -122 | 149.9 | 179.1 | -57 | 179.2 | 0 | 0 | 0 | 109.6 | Q142 F366 A375 | Q142-L378 HydrophobicContact CG-CD2 4.22Å; F366-L378 CarbonylContact O-C 3.45Å; A375-L378 HydrophobicContact CB-CD2 3.9Å | ||
| 379 | Q | 97.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | trans | -68.1 | 134.9 | 167.2 | -170.2 | 175.4 | -45.4 | 0 | 0 | 109.6 | Q142 V251 M364 F366 G381 | Q142-Q379 PolarHBondContact NE2-O 3.3Å; Q142-Q379 VanDerWaalsContact NE2-O 3.09Å; V251-Q379 PolarHBondContact O-NE2 3.03Å; M364-Q379 HydrophobicContact CG-CG 3.92Å; F366-Q379 PolarHBondContact O-N 2.82Å; Q379-G381 WeakPolarHBondContact CG-O 3.31Å; Q379-G381 PolarHBondContact NE2-O 3.32Å | ||
| 380 | K | 95.9 | Very high | 91.5 | Very high | 148 Ų | 148 | 40.7 Ų | 40.7 | 64% | 0.643 | 23% | 0.232 | S | C | * | . | trans | -120.2 | 53 | -172.8 | -59.5 | 178.7 | -176 | 177.4 | 0 | 112 | S298 K299 M364 | S298-K380 CarbonylContact C-O 3.55Å; S298-K380 VanDerWaalsContact C-O 3.27Å; K299-K380 PolarHBondContact N-O 3.37Å; M364-K380 PolarHBondContact O-N 2.84Å | ||
| 381 | G | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | 145.7 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y296 K299 Q379 | Y296-G381 WeakPolarHBondContact O-CA 3.41Å; Y296-G381 PolarHBondContact O-N 3.16Å; K299-G381 VanDerWaalsContact O-CA 3.23Å; K299-G381 WeakPolarHBondContact O-CA 3.45Å; Q379-G381 WeakPolarHBondContact CG-O 3.31Å; Q379-G381 PolarHBondContact NE2-O 3.32Å | ||
| 382 | V | 98.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 144.2 | -179.6 | 72.8 | 0 | 0 | 0 | 0 | 112.2 | V253 Y296 K299 L300 I301 M364 | V253-V382 HydrophobicContact CB-CG2 4.39Å; V253-V382 HydrophobicContact CG1-CG2 3.95Å; V253-V382 HydrophobicContact CG2-CG1 4.17Å; V253-V382 HydrophobicContact CG2-CG2 3.85Å; Y296-V382 HydrophobicContact CD2-CB 4.17Å; Y296-V382 HydrophobicContact CD2-CG1 3.7Å; Y296-V382 HydrophobicContact CD2-CG2 4.41Å; Y296-V382 HydrophobicContact CG-CB 3.95Å; Y296-V382 HydrophobicContact CG-CG1 3.97Å; Y296-V382 HydrophobicContact CG-CG2 4.24Å; K299-V382 PolarHBondContact O-N 3.29Å; L300-V382 HydrophobicContact CD1-CG1 3.74Å; I301-V382 PolarHBondContact N-O 2.91Å; M364-V382 VanDerWaalsContact CE-C 3.5Å |
| 383 | F | 98.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.5 | 163.3 | -68.5 | -91.5 | 0 | 0 | 0 | 109.6 | F250 L252 V253 I301 V303 L357 L360 I361 M364 I401 | F250-F383 HydrophobicContact CZ-CD2 4.27Å; L252-F383 HydrophobicContact CD2-CB 3.67Å; L252-F383 HydrophobicContact CD2-CD2 4.01Å; L252-F383 HydrophobicContact CD2-CG 4.22Å; V253-F383 PolarHBondContact N-O 3.2Å; I301-F383 HydrophobicContact CB-CD1 3.72Å; I301-F383 HydrophobicContact CB-CE1 3.98Å; I301-F383 HydrophobicContact CB-CG 4.32Å; I301-F383 HydrophobicContact CG1-CD1 4.33Å; I301-F383 HydrophobicContact CG1-CE1 4.14Å; I301-F383 HydrophobicContact CG2-CD1 3.55Å; I301-F383 HydrophobicContact CG2-CE1 3.63Å; I301-F383 WeakPolarHBondContact O-CA 3.46Å; V303-F383 HydrophobicContact CG2-CD1 3.97Å; L357-F383 HydrophobicContact CB-CE1 4.49Å; L357-F383 HydrophobicContact CD1-CE1 4.04Å; L357-F383 HydrophobicContact CD2-CE1 4.35Å; L360-F383 HydrophobicContact CB-CZ 4.08Å; I361-F383 HydrophobicContact CB-CZ 4.45Å; I361-F383 HydrophobicContact CG1-CE1 4.49Å; I361-F383 HydrophobicContact CG1-CE2 3.96Å; I361-F383 HydrophobicContact CG1-CZ 3.59Å; M364-F383 HydrophobicContact CE-CD2 3.47Å; M364-F383 VanDerWaalsContact CE-CD2 3.47Å; M364-F383 HydrophobicContact CE-CE2 3.42Å; M364-F383 VanDerWaalsContact CE-CE2 3.42Å; M364-F383 HydrophobicContact CE-CG 4.17Å; M364-F383 HydrophobicContact CE-CZ 4.09Å; M364-F383 HydrophobicContact SD-CD2 3.52Å; M364-F383 VanDerWaalsContact SD-CD2 3.52Å; M364-F383 HydrophobicContact SD-CE2 3.6Å; M364-F383 VanDerWaalsContact SD-CE2 3.6Å; F383-I401 HydrophobicContact CB-CD1 4.47Å; F383-I401 HydrophobicContact CD1-CD1 4.13Å; F383-I401 HydrophobicContact CD2-CG2 4.14Å; F383-I401 HydrophobicContact CE2-CG2 4.25Å; F383-I401 HydrophobicContact CG-CD1 4.24Å |
| 384 | R | 98.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 105.3 | 170.1 | -179.4 | 179.8 | 178.8 | -70.2 | 2 | 109.2 | C231 V253 S256 H288 L300 I301 L302 V303 Y319 | C231-R384 PolarHBondContact SG-NH2 3.09Å; C231-R384 VanDerWaalsContact SG-NH2 3.36Å; V253-R384 HydrophobicContact CG2-CB 3.69Å; V253-R384 HydrophobicContact CG2-CG 3.99Å; V253-R384 CarbonylContact O-C 3.6Å; V253-R384 VanDerWaalsContact O-CA 3.28Å; V253-R384 WeakPolarHBondContact O-CA 3.32Å; S256-R384 PolarHBondContact O-NH2 2.86Å; H288-R384 PolarHBondContact NE2-NE 2.84Å; H288-R384 PolarHBondContact NE2-NH2 3.09Å; L300-R384 HydrophobicContact CD1-CB 4.1Å; I301-R384 PolarHBondContact O-N 3.26Å; L302-R384 HydrophobicContact CD2-CB 4.01Å; L302-R384 HydrophobicContact CD2-CG 4.3Å; V303-R384 PolarHBondContact N-O 3.24Å; Y319-R384 PolarHBondContact OH-NH1 2.8Å |
| 385 | V | 97.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.8 | -177.5 | -165.8 | 0 | 0 | 0 | 0 | 109.6 | V253 R254 V303 L305 T394 V397 Q398 I401 | V253-V385 PolarHBondContact O-N 3.1Å; R254-V385 VanDerWaalsContact CA-O 3.28Å; R254-V385 WeakPolarHBondContact CA-O 3.36Å; R254-V385 VanDerWaalsContact CB-O 3.31Å; R254-V385 WeakPolarHBondContact CB-O 3.42Å; V303-V385 HydrophobicContact CB-CB 4.45Å; V303-V385 HydrophobicContact CB-CG1 4.19Å; V303-V385 HydrophobicContact CB-CG2 4.21Å; V303-V385 HydrophobicContact CG1-CG1 4.26Å; V303-V385 WeakPolarHBondContact O-CA 3.38Å; L305-V385 HydrophobicContact CD1-CG1 3.62Å; L305-V385 HydrophobicContact CG-CG1 4.12Å; V385-T394 HydrophobicContact CB-CG2 4.48Å; V385-T394 HydrophobicContact CG1-CG2 3.99Å; V385-V397 HydrophobicContact CG1-CB 4.28Å; V385-V397 HydrophobicContact CG1-CG1 4.05Å; V385-Q398 HydrophobicContact CB-CG 4.02Å; V385-Q398 HydrophobicContact CG2-CG 3.59Å; V385-I401 HydrophobicContact CG2-CD1 4.36Å |
| 386 | N | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.4 | 177.1 | 65.4 | -80.2 | 0 | 0 | 0 | 111.5 | G255 V303 N304 L305 Y319 | G255-N386 WeakPolarHBondContact O-CB 3.18Å; V303-N386 PolarHBondContact O-N 3.03Å; V303-N386 PolarHBondContact O-OD1 3.41Å; V303-N386 VanDerWaalsContact O-OD1 3.1Å; N304-N386 PolarHBondContact OD1-ND2 2.98Å; L305-N386 WeakPolarHBondContact CB-O 3.48Å; L305-N386 PolarHBondContact N-O 2.55Å; Y319-N386 WeakPolarHBondContact CE1-ND2 3.45Å; Y319-N386 VanDerWaalsContact CE1-OD1 3.31Å; Y319-N386 WeakPolarHBondContact CE1-OD1 3.29Å |
| 387 | C | 83.5 | Confident | 90.5 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 8% | 0.084 | C | C | . | . | trans | -143.3 | 179.8 | 159.1 | 77.2 | 0 | 0 | 0 | 0 | 107 | L305 E389 C390 R393 T394 | L305-C387 HydrophobicContact CB-CB 3.98Å; C387-E389 VanDerWaalsContact C-N 3.3Å; C387-E389 PolarHBondContact O-N 2.93Å; C387-C390 PolarHBondContact O-N 3.33Å; C387-C390 VanDerWaalsContact SG-CA 3.59Å; C387-C390 PolarHBondContact SG-N 3.34Å; C387-R393 HydrophobicContact CB-CB 4.26Å; C387-T394 HydrophobicContact CB-CG2 4.03Å | ||
| 388 | V | 83.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -56.4 | -44.7 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | R223 W261 I306 E312 L315 | R223-V388 PolarHBondContact NH1-O 3.49Å; W261-V388 HydrophobicContact CH2-CG1 3.81Å; W261-V388 HydrophobicContact CZ3-CG1 4.2Å; I306-V388 HydrophobicContact CG1-CG2 4.01Å; I306-V388 HydrophobicContact CG2-CG2 4.36Å; E312-V388 HydrophobicContact CB-CG2 4.01Å; E312-V388 HydrophobicContact CG-CG2 3.68Å; E312-V388 VanDerWaalsContact OE1-CG2 3.28Å; E312-V388 WeakPolarHBondContact OE1-CG2 3.43Å; E312-V388 WeakPolarHBondContact OE2-CG2 3.4Å; L315-V388 HydrophobicContact CD2-CG2 4.13Å |
| 389 | E | 76.9 | Confident | 90.7 | Very high | 25 Ų | 25 | 12.3 Ų | 12.3 | 12% | 0.117 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -89.9 | -26.3 | -178.1 | -56.8 | -175.9 | 179 | 0 | 0 | 113.4 | R219 C387 L391 Y445 R476 | R219-E389 IonicContact CZ-OE1 2.69Å; R219-E389 VanDerWaalsContact CZ-OE1 3.29Å; R219-E389 IonicContact CZ-OE2 3.98Å; R219-E389 IonicContact NH1-OE1 3.55Å; R219-E389 PolarHBondContact NH1-OE1 3.47Å; R219-E389 IonicContact NH1-OE2 3.91Å; R219-E389 PolarHBondContact NH1-OE2 3.01Å; R219-E389 IonicContact NH2-OE1 3.8Å; R219-E389 PolarHBondContact NH2-OE1 2.91Å; R219-E389 IonicContact NH2-OE2 2.67Å; C387-E389 VanDerWaalsContact C-N 3.3Å; C387-E389 PolarHBondContact O-N 2.93Å; E389-L391 HydrophobicContact CB-CG 4.47Å; E389-L391 PolarHBondContact O-N 3.23Å; E389-Y445 WeakPolarHBondContact O-CE1 3.34Å; E389-R476 IonicContact OE2-NH1 2.68Å; E389-R476 PolarHBondContact OE2-NH1 2.7Å |
| 390 | C | 83.1 | Confident | 90.6 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 55.2 | 33.3 | -172.4 | -154.4 | 0 | 0 | 0 | 0 | 114.7 | R254 G255 C387 T394 | R254-C390 VanDerWaalsContact CB-SG 3.53Å; G255-C390 VanDerWaalsContact C-SG 3.55Å; G255-C390 PolarHBondContact N-SG 3.28Å; G255-C390 PolarHBondContact O-SG 3.37Å; C387-C390 PolarHBondContact O-N 3.33Å; C387-C390 VanDerWaalsContact SG-CA 3.59Å; C387-C390 PolarHBondContact SG-N 3.34Å; C390-T394 HydrophobicContact CB-CG2 4.46Å; C390-T394 PolarHBondContact O-OG1 3.41Å |
| 391 | L | 83.1 | Confident | 90.6 | Very high | 3 Ų | 3 | 5.9 Ų | 5.9 | 2% | 0.016 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -113.5 | -79.9 | 178.8 | -63.2 | -178.7 | 0 | 0 | 0 | 112.3 | E389 T394 N395 I441 Y445 A446 | E389-L391 HydrophobicContact CB-CG 4.47Å; E389-L391 PolarHBondContact O-N 3.23Å; L391-T394 PolarHBondContact N-OG1 3.43Å; L391-T394 PolarHBondContact O-OG1 2.86Å; L391-N395 VanDerWaalsContact O-CB 3.23Å; L391-N395 WeakPolarHBondContact O-CB 3.38Å; L391-N395 PolarHBondContact O-N 3.19Å; L391-N395 VanDerWaalsContact O-N 3.13Å; L391-I441 HydrophobicContact CD2-CG2 4.15Å; L391-Y445 HydrophobicContact CD1-CD1 4.1Å; L391-Y445 HydrophobicContact CD2-CD1 3.92Å; L391-Y445 HydrophobicContact CD2-CG 4.48Å; L391-Y445 HydrophobicContact CG-CD1 4.09Å; L391-A446 HydrophobicContact CD1-CB 3.78Å |
| 392 | D | 79.9 | Confident | 90.6 | Very high | 14 Ų | 14 | 5.9 Ų | 5.9 | 8% | 0.075 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -82.3 | -52.4 | -163.3 | -44.2 | -57.9 | 0 | 0 | 0 | 112.4 | T394 N395 L396 A450 L451 R476 | D392-T394 VanDerWaalsContact C-N 3.33Å; D392-T394 PolarHBondContact O-N 2.94Å; D392-N395 PolarHBondContact O-N 3.24Å; D392-L396 PolarHBondContact O-N 3.08Å; D392-L396 VanDerWaalsContact O-N 3.1Å; D392-A450 WeakPolarHBondContact OD1-CA 3.47Å; D392-L451 HydrophobicContact CB-CB 4.06Å; D392-L451 VanDerWaalsContact CG-CB 3.48Å; D392-L451 PolarHBondContact OD1-N 3.16Å; D392-L451 WeakPolarHBondContact OD2-CD1 3.47Å; D392-L451 WeakPolarHBondContact OD2-CG 3.32Å; D392-R476 IonicContact OD1-CZ 3.82Å; D392-R476 IonicContact OD1-NH1 3.11Å; D392-R476 IonicContact OD1-NH2 2.68Å; D392-R476 PolarHBondContact OD1-NH2 3.27Å; D392-R476 IonicContact OD2-CZ 3.69Å; D392-R476 IonicContact OD2-NH1 3.08Å; D392-R476 PolarHBondContact OD2-NH1 3.4Å; D392-R476 IonicContact OD2-NH2 3.56Å |
| 393 | R | 85.1 | Confident | 90.5 | Very high | 26 Ų | 26 | 8.2 Ų | 8.2 | 10% | 0.098 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 177.6 | -69.6 | 179.6 | -89.6 | -179.2 | -10.5 | 111.5 | L305 E312 F338 C387 L396 V397 | L305-R393 HydrophobicContact CD1-CB 4.06Å; L305-R393 PolarHBondContact O-NH1 3.03Å; E312-R393 IonicContact OE1-NH2 2.68Å; E312-R393 PolarHBondContact OE1-NH2 2.98Å; E312-R393 VanDerWaalsContact OE1-NH2 3.09Å; E312-R393 IonicContact OE2-CZ 3.8Å; E312-R393 IonicContact OE2-NH1 3.82Å; E312-R393 PolarHBondContact OE2-NH1 2.84Å; E312-R393 IonicContact OE2-NH2 3.48Å; F338-R393 HydrophobicContact CD1-CG 3.8Å; F338-R393 HydrophobicContact CE1-CG 4.1Å; F338-R393 HydrophobicContact CG-CG 4.1Å; C387-R393 HydrophobicContact CB-CB 4.26Å; R393-L396 PolarHBondContact O-N 2.68Å; R393-V397 PolarHBondContact O-N 2.89Å; R393-V397 VanDerWaalsContact O-N 3.11Å |
| 394 | T | 90.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -69 | -40.1 | -179.8 | 53 | 0 | 0 | 0 | 0 | 111.6 | L305 V385 C387 C390 L391 D392 L396 V397 Q398 | L305-T394 HydrophobicContact CD1-CG2 4.28Å; V385-T394 HydrophobicContact CB-CG2 4.48Å; V385-T394 HydrophobicContact CG1-CG2 3.99Å; C387-T394 HydrophobicContact CB-CG2 4.03Å; C390-T394 HydrophobicContact CB-CG2 4.46Å; C390-T394 PolarHBondContact O-OG1 3.41Å; L391-T394 PolarHBondContact N-OG1 3.43Å; L391-T394 PolarHBondContact O-OG1 2.86Å; D392-T394 VanDerWaalsContact C-N 3.33Å; D392-T394 PolarHBondContact O-N 2.94Å; T394-L396 VanDerWaalsContact C-N 3.33Å; T394-L396 PolarHBondContact O-N 3.09Å; T394-V397 PolarHBondContact O-N 3.41Å; T394-Q398 VanDerWaalsContact O-CB 3.28Å; T394-Q398 WeakPolarHBondContact O-CB 3.24Å; T394-Q398 VanDerWaalsContact O-CG 3.32Å; T394-Q398 WeakPolarHBondContact O-CG 3.36Å; T394-Q398 PolarHBondContact O-N 3.3Å |
| 395 | N | 92.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.5 | -165.3 | 70.8 | 0 | 0 | 0 | 111.7 | R254 L391 D392 T399 W434 N437 G438 | R254-N395 PolarHBondContact NH1-OD1 3.1Å; L391-N395 VanDerWaalsContact O-CB 3.23Å; L391-N395 WeakPolarHBondContact O-CB 3.38Å; L391-N395 PolarHBondContact O-N 3.19Å; L391-N395 VanDerWaalsContact O-N 3.13Å; D392-N395 PolarHBondContact O-N 3.24Å; N395-T399 WeakPolarHBondContact O-CB 3.47Å; N395-T399 PolarHBondContact O-N 3.45Å; N395-T399 PolarHBondContact O-OG1 3.26Å; N395-W434 PolarHBondContact ND2-O 3.24Å; N395-W434 VanDerWaalsContact ND2-O 3.08Å; N395-N437 PolarHBondContact OD1-ND2 3.49Å; N395-N437 VanDerWaalsContact OD1-ND2 3.08Å; N395-G438 WeakPolarHBondContact OD1-CA 3.41Å |
| 396 | L | 87.9 | Confident | 90.1 | Very high | 10 Ų | 10 | 9.4 Ų | 9.4 | 5% | 0.052 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.2 | -48.4 | 179.8 | -166.7 | 155 | 0 | 0 | 0 | 111.4 | F338 F347 V350 D392 R393 T394 T399 A400 Y455 | F338-L396 HydrophobicContact CE2-CD2 4.03Å; F338-L396 HydrophobicContact CZ-CD1 4.26Å; F338-L396 HydrophobicContact CZ-CD2 4.22Å; F347-L396 HydrophobicContact CD1-CD1 4.04Å; F347-L396 HydrophobicContact CE1-CD1 4.39Å; F347-L396 HydrophobicContact CG-CD1 4.48Å; V350-L396 HydrophobicContact CB-CD2 4.38Å; V350-L396 HydrophobicContact CG1-CD2 4.3Å; V350-L396 HydrophobicContact CG2-CD2 3.62Å; D392-L396 PolarHBondContact O-N 3.08Å; D392-L396 VanDerWaalsContact O-N 3.1Å; R393-L396 PolarHBondContact O-N 2.68Å; T394-L396 VanDerWaalsContact C-N 3.33Å; T394-L396 PolarHBondContact O-N 3.09Å; L396-T399 WeakPolarHBondContact O-CB 3.42Å; L396-T399 PolarHBondContact O-N 3Å; L396-A400 PolarHBondContact O-N 3.11Å; L396-Y455 HydrophobicContact CD1-CD1 3.56Å; L396-Y455 HydrophobicContact CD1-CE1 4.02Å; L396-Y455 HydrophobicContact CD1-CG 4.49Å; L396-Y455 HydrophobicContact CD2-CE1 4.46Å; L396-Y455 HydrophobicContact CG-CD1 4.2Å; L396-Y455 HydrophobicContact CG-CE1 4.38Å |
| 397 | V | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 178 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | V303 L305 F338 L353 V385 R393 T394 T399 A400 I401 | V303-V397 HydrophobicContact CG1-CG1 4.42Å; L305-V397 HydrophobicContact CD1-CB 3.98Å; L305-V397 HydrophobicContact CD1-CG1 4.49Å; L305-V397 HydrophobicContact CD1-CG2 3.62Å; L305-V397 HydrophobicContact CD2-CG2 3.99Å; L305-V397 HydrophobicContact CG-CG2 4.48Å; F338-V397 HydrophobicContact CD2-CG2 4.16Å; F338-V397 HydrophobicContact CE2-CG2 4.17Å; L353-V397 HydrophobicContact CD2-CG1 3.72Å; L353-V397 HydrophobicContact CD2-CG2 4.1Å; V385-V397 HydrophobicContact CG1-CB 4.28Å; V385-V397 HydrophobicContact CG1-CG1 4.05Å; R393-V397 PolarHBondContact O-N 2.89Å; R393-V397 VanDerWaalsContact O-N 3.11Å; T394-V397 PolarHBondContact O-N 3.41Å; V397-T399 VanDerWaalsContact C-N 3.31Å; V397-T399 PolarHBondContact O-N 3.49Å; V397-A400 PolarHBondContact O-N 3.38Å; V397-A400 VanDerWaalsContact O-N 3.16Å; V397-I401 HydrophobicContact CG1-CD1 4.04Å; V397-I401 WeakPolarHBondContact O-CG1 3.28Å; V397-I401 PolarHBondContact O-N 3.21Å |
| 398 | Q | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.3 | -37.9 | 175.4 | -76.5 | -170.9 | -29.2 | 0 | 0 | 112.3 | L252 V253 V385 T394 A400 I401 A402 W434 | L252-Q398 HydrophobicContact CB-CG 4.46Å; L252-Q398 HydrophobicContact CD1-CB 4Å; L252-Q398 HydrophobicContact CD1-CG 4.25Å; V253-Q398 VanDerWaalsContact C-NE2 3.29Å; V253-Q398 PolarHBondContact O-NE2 2.84Å; V385-Q398 HydrophobicContact CB-CG 4.02Å; V385-Q398 HydrophobicContact CG2-CG 3.59Å; T394-Q398 VanDerWaalsContact O-CB 3.28Å; T394-Q398 WeakPolarHBondContact O-CB 3.24Å; T394-Q398 VanDerWaalsContact O-CG 3.32Å; T394-Q398 WeakPolarHBondContact O-CG 3.36Å; T394-Q398 PolarHBondContact O-N 3.3Å; Q398-A400 VanDerWaalsContact C-N 3.3Å; Q398-A400 PolarHBondContact O-N 2.72Å; Q398-I401 PolarHBondContact O-N 2.64Å; Q398-A402 WeakPolarHBondContact O-CB 3.26Å; Q398-A402 PolarHBondContact O-N 2.76Å; Q398-W434 HydrophobicContact CB-CH2 4.12Å; Q398-W434 HydrophobicContact CB-CZ3 3.75Å |
| 399 | T | 95.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 12.7 Ų | 12.7 | 8% | 0.08 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 173.6 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | N395 L396 V397 A402 K403 F430 W434 T456 | N395-T399 WeakPolarHBondContact O-CB 3.47Å; N395-T399 PolarHBondContact O-N 3.45Å; N395-T399 PolarHBondContact O-OG1 3.26Å; L396-T399 WeakPolarHBondContact O-CB 3.42Å; L396-T399 PolarHBondContact O-N 3Å; V397-T399 VanDerWaalsContact C-N 3.31Å; V397-T399 PolarHBondContact O-N 3.49Å; T399-A402 PolarHBondContact O-N 2.88Å; T399-K403 WeakPolarHBondContact O-CB 3.15Å; T399-K403 PolarHBondContact O-N 2.98Å; T399-F430 HydrophobicContact CG2-CE1 3.77Å; T399-F430 HydrophobicContact CG2-CZ 3.9Å; T399-F430 WeakPolarHBondContact O-CZ 3.46Å; T399-W434 HydrophobicContact CG2-CB 3.7Å; T399-W434 HydrophobicContact CG2-CD2 4.35Å; T399-W434 HydrophobicContact CG2-CG 3.89Å; T399-T456 HydrophobicContact CG2-CG2 4.12Å |
| 400 | A | 93.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 11.9 Ų | 11.9 | 19% | 0.19 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V350 I354 L396 V397 Q398 A402 K403 C404 | V350-A400 HydrophobicContact CG1-CB 3.74Å; I354-A400 HydrophobicContact CD1-CB 3.76Å; I354-A400 HydrophobicContact CG1-CB 3.89Å; L396-A400 PolarHBondContact O-N 3.11Å; V397-A400 PolarHBondContact O-N 3.38Å; V397-A400 VanDerWaalsContact O-N 3.16Å; Q398-A400 VanDerWaalsContact C-N 3.3Å; Q398-A400 PolarHBondContact O-N 2.72Å; A400-A402 VanDerWaalsContact C-N 3.35Å; A400-A402 PolarHBondContact O-N 3.04Å; A400-K403 WeakPolarHBondContact O-CB 3.38Å; A400-K403 PolarHBondContact O-N 3.48Å; A400-C404 PolarHBondContact O-N 3.43Å |
| 401 | I | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.2 | -63.6 | 168 | 0 | 0 | 0 | 110.8 | F250 L252 I354 L357 I361 F383 V385 V397 Q398 K403 C404 K405 | F250-I401 HydrophobicContact CE1-CG2 4.1Å; F250-I401 HydrophobicContact CZ-CG2 4.18Å; L252-I401 HydrophobicContact CD1-CG2 4.44Å; L252-I401 HydrophobicContact CD2-CG2 3.95Å; I354-I401 HydrophobicContact CD1-CG1 3.73Å; L357-I401 HydrophobicContact CD1-CD1 4.41Å; I361-I401 HydrophobicContact CD1-CG2 4.27Å; I361-I401 HydrophobicContact CG1-CG2 4.27Å; F383-I401 HydrophobicContact CB-CD1 4.47Å; F383-I401 HydrophobicContact CD1-CD1 4.13Å; F383-I401 HydrophobicContact CD2-CG2 4.14Å; F383-I401 HydrophobicContact CE2-CG2 4.25Å; F383-I401 HydrophobicContact CG-CD1 4.24Å; V385-I401 HydrophobicContact CG2-CD1 4.36Å; V397-I401 HydrophobicContact CG1-CD1 4.04Å; V397-I401 WeakPolarHBondContact O-CG1 3.28Å; V397-I401 PolarHBondContact O-N 3.21Å; Q398-I401 PolarHBondContact O-N 2.64Å; I401-K403 VanDerWaalsContact C-N 3.28Å; I401-K403 PolarHBondContact O-N 3.23Å; I401-C404 PolarHBondContact O-N 3.39Å; I401-K405 PolarHBondContact O-N 3.29Å; I401-K405 VanDerWaalsContact O-N 3.11Å |
| 402 | A | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.3 | -30.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q239 L252 Q398 T399 A400 K405 L406 F430 W434 | Q239-A402 PolarHBondContact NE2-O 2.87Å; L252-A402 HydrophobicContact CD1-CB 4.07Å; Q398-A402 WeakPolarHBondContact O-CB 3.26Å; Q398-A402 PolarHBondContact O-N 2.76Å; T399-A402 PolarHBondContact O-N 2.88Å; A400-A402 VanDerWaalsContact C-N 3.35Å; A400-A402 PolarHBondContact O-N 3.04Å; A402-K405 PolarHBondContact O-N 3.12Å; A402-L406 WeakPolarHBondContact O-CB 3.29Å; A402-L406 PolarHBondContact O-N 3.49Å; A402-F430 HydrophobicContact CB-CE2 4.13Å; A402-F430 HydrophobicContact CB-CZ 4.18Å; A402-W434 HydrophobicContact CB-CH2 3.97Å; A402-W434 HydrophobicContact CB-CZ2 3.23Å |
| 403 | K | 95.7 | Very high | 93.6 | Very high | 50 Ų | 50 | 21.4 Ų | 21.4 | 22% | 0.217 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.4 | -51.5 | 174.4 | -170.6 | -170.6 | 166.5 | -177.2 | 0 | 110.8 | T399 A400 I401 K405 L406 E407 L422 E427 F430 | T399-K403 WeakPolarHBondContact O-CB 3.15Å; T399-K403 PolarHBondContact O-N 2.98Å; A400-K403 WeakPolarHBondContact O-CB 3.38Å; A400-K403 PolarHBondContact O-N 3.48Å; I401-K403 VanDerWaalsContact C-N 3.28Å; I401-K403 PolarHBondContact O-N 3.23Å; K403-K405 PolarHBondContact O-N 3.44Å; K403-L406 WeakPolarHBondContact O-CB 3.38Å; K403-L406 PolarHBondContact O-N 2.93Å; K403-E407 WeakPolarHBondContact CE-OE1 3.44Å; K403-E407 IonicContact NZ-OE1 3.52Å; K403-E407 PolarHBondContact O-N 3.38Å; K403-L422 HydrophobicContact CG-CD1 4.14Å; K403-E427 WeakPolarHBondContact CE-OE1 3.35Å; K403-E427 IonicContact NZ-OE1 2.99Å; K403-E427 PolarHBondContact NZ-OE1 2.93Å; K403-F430 HydrophobicContact CB-CE1 3.68Å; K403-F430 HydrophobicContact CB-CZ 3.66Å; K403-F430 HydrophobicContact CG-CE1 3.98Å; K403-F430 HydrophobicContact CG-CZ 4.35Å |
| 404 | C | 94.5 | Very high | 93.9 | Very high | 25 Ų | 25 | 23.5 Ų | 23.5 | 17% | 0.169 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.6 | -38.4 | 177 | -63 | 0 | 0 | 0 | 0 | 111.3 | I354 I361 A400 I401 E408 | I354-C404 WeakPolarHBondContact CG2-SG 3.18Å; I361-C404 HydrophobicContact CD1-CB 4.48Å; I361-C404 HydrophobicContact CG2-CB 4.45Å; A400-C404 PolarHBondContact O-N 3.43Å; I401-C404 PolarHBondContact O-N 3.39Å; C404-E408 PolarHBondContact O-N 3.3Å; C404-E408 VanDerWaalsContact O-N 3.16Å |
| 405 | K | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.6 | -36.1 | 176.2 | -169.6 | 59 | 56.6 | 171.4 | 0 | 113.2 | F250 I361 G365 F366 I401 A402 K403 E407 E408 Q409 | F250-K405 HydrophobicContact CB-CG 3.89Å; F250-K405 HydrophobicContact CD1-CB 3.94Å; F250-K405 HydrophobicContact CD1-CG 3.7Å; F250-K405 HydrophobicContact CD2-CD 4.14Å; F250-K405 HydrophobicContact CD2-CG 3.79Å; F250-K405 HydrophobicContact CE1-CB 4Å; F250-K405 HydrophobicContact CE1-CG 4.07Å; F250-K405 HydrophobicContact CE2-CD 4.39Å; F250-K405 HydrophobicContact CE2-CG 4.2Å; F250-K405 HydrophobicContact CG-CB 4.3Å; F250-K405 HydrophobicContact CG-CD 4.37Å; F250-K405 HydrophobicContact CG-CG 3.54Å; F250-K405 HydrophobicContact CZ-CB 4.46Å; F250-K405 HydrophobicContact CZ-CG 4.32Å; I361-K405 PolarHBondContact O-NZ 3.34Å; G365-K405 PolarHBondContact O-NZ 3.3Å; F366-K405 HydrophobicContact CB-CD 4.2Å; F366-K405 HydrophobicContact CD1-CD 3.73Å; F366-K405 HydrophobicContact CG-CD 4.3Å; I401-K405 PolarHBondContact O-N 3.29Å; I401-K405 VanDerWaalsContact O-N 3.11Å; A402-K405 PolarHBondContact O-N 3.12Å; K403-K405 PolarHBondContact O-N 3.44Å; K405-E407 VanDerWaalsContact C-N 3.33Å; K405-E408 WeakPolarHBondContact CE-OE2 3.49Å; K405-E408 IonicContact NZ-OE2 3.09Å; K405-E408 PolarHBondContact NZ-OE2 3.26Å; K405-E408 PolarHBondContact O-N 2.7Å; K405-Q409 HydrophobicContact CG-CG 4.38Å; K405-Q409 WeakPolarHBondContact O-CB 3.26Å; K405-Q409 WeakPolarHBondContact O-CG 3.31Å; K405-Q409 PolarHBondContact O-N 2.86Å |
| 406 | L | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.7 | 177.7 | 60.7 | 0 | 0 | 0 | 111 | I205 V241 A402 K403 E408 Q409 L410 L422 F430 | I205-L406 HydrophobicContact CD1-CD1 4.13Å; I205-L406 HydrophobicContact CD1-CD2 3.85Å; I205-L406 HydrophobicContact CG1-CD1 4.48Å; V241-L406 HydrophobicContact CG1-CD1 4.31Å; V241-L406 HydrophobicContact CG2-CD1 3.49Å; V241-L406 VanDerWaalsContact CG2-CD1 3.49Å; A402-L406 WeakPolarHBondContact O-CB 3.29Å; A402-L406 PolarHBondContact O-N 3.49Å; K403-L406 WeakPolarHBondContact O-CB 3.38Å; K403-L406 PolarHBondContact O-N 2.93Å; L406-E408 VanDerWaalsContact C-N 3.34Å; L406-Q409 PolarHBondContact O-N 3.36Å; L406-L410 HydrophobicContact CD1-CD1 4.02Å; L406-L410 HydrophobicContact CD1-CG 4.07Å; L406-L410 HydrophobicContact CG-CD1 4.11Å; L406-L410 WeakPolarHBondContact O-CG 3.28Å; L406-L410 PolarHBondContact O-N 2.83Å; L406-L422 HydrophobicContact CD2-CD1 3.77Å; L406-L422 HydrophobicContact CD2-CD2 4.33Å; L406-L422 HydrophobicContact CG-CD1 4.34Å; L406-L422 HydrophobicContact CG-CD2 4.21Å; L406-F430 HydrophobicContact CD2-CB 3.85Å; L406-F430 HydrophobicContact CD2-CD2 3.49Å; L406-F430 VanDerWaalsContact CD2-CD2 3.49Å; L406-F430 HydrophobicContact CD2-CE2 4.2Å; L406-F430 HydrophobicContact CD2-CG 3.75Å |
| 407 | E | 95 | Very high | 94 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 176 | -71.9 | 165.3 | 170.1 | 0 | 0 | 110.9 | K403 K405 L410 T411 L416 L422 | K403-E407 WeakPolarHBondContact CE-OE1 3.44Å; K403-E407 IonicContact NZ-OE1 3.52Å; K403-E407 PolarHBondContact O-N 3.38Å; K405-E407 VanDerWaalsContact C-N 3.33Å; E407-L410 PolarHBondContact O-N 3.2Å; E407-T411 WeakPolarHBondContact O-CB 3.29Å; E407-T411 PolarHBondContact O-N 2.93Å; E407-T411 PolarHBondContact O-OG1 2.88Å; E407-L416 HydrophobicContact CB-CD2 4.06Å; E407-L416 HydrophobicContact CG-CD2 4.19Å; E407-L422 HydrophobicContact CG-CD1 4.16Å; E407-L422 HydrophobicContact CG-CD2 3.66Å; E407-L422 HydrophobicContact CG-CG 3.6Å |
| 408 | E | 94.2 | Very high | 93.8 | Very high | 34 Ų | 34 | 37 Ų | 37 | 16% | 0.159 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 174.9 | -169.2 | -171.6 | 163.3 | 0 | 0 | 112.2 | F366 C404 K405 L406 L410 T411 R412 | F366-E408 HydrophobicContact CE1-CG 4.23Å; C404-E408 PolarHBondContact O-N 3.3Å; C404-E408 VanDerWaalsContact O-N 3.16Å; K405-E408 WeakPolarHBondContact CE-OE2 3.49Å; K405-E408 IonicContact NZ-OE2 3.09Å; K405-E408 PolarHBondContact NZ-OE2 3.26Å; K405-E408 PolarHBondContact O-N 2.7Å; L406-E408 VanDerWaalsContact C-N 3.34Å; E408-L410 PolarHBondContact O-N 3.35Å; E408-T411 PolarHBondContact O-N 3.27Å; E408-R412 VanDerWaalsContact O-CG 3.28Å; E408-R412 WeakPolarHBondContact O-CG 3.3Å; E408-R412 PolarHBondContact O-N 2.81Å |
| 409 | Q | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 178.7 | -74.1 | 169.5 | -29.2 | 0 | 0 | 111.7 | S248 F366 K405 L406 R412 F413 | S248-Q409 VanDerWaalsContact OG-CD 3.22Å; S248-Q409 WeakPolarHBondContact OG-CG 3.36Å; S248-Q409 PolarHBondContact OG-NE2 2.84Å; F366-Q409 HydrophobicContact CD1-CG 4.08Å; F366-Q409 HydrophobicContact CD2-CG 3.97Å; F366-Q409 HydrophobicContact CE1-CG 3.97Å; F366-Q409 HydrophobicContact CE2-CG 3.87Å; F366-Q409 HydrophobicContact CG-CG 4.07Å; F366-Q409 HydrophobicContact CZ-CB 4.44Å; F366-Q409 HydrophobicContact CZ-CG 3.86Å; K405-Q409 HydrophobicContact CG-CG 4.38Å; K405-Q409 WeakPolarHBondContact O-CB 3.26Å; K405-Q409 WeakPolarHBondContact O-CG 3.31Å; K405-Q409 PolarHBondContact O-N 2.86Å; L406-Q409 PolarHBondContact O-N 3.36Å; Q409-R412 PolarHBondContact O-N 3.47Å; Q409-F413 WeakPolarHBondContact O-CG 3.41Å; Q409-F413 PolarHBondContact O-N 2.8Å; Q409-F413 VanDerWaalsContact O-N 3.09Å |
| 410 | L | 94.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.4 | -35.2 | 179 | -67.7 | 178.6 | 0 | 0 | 0 | 112.4 | V203 V241 L406 E407 E408 R412 F413 G414 M415 L416 L422 V426 | V203-L410 HydrophobicContact CG1-CD2 3.98Å; V203-L410 HydrophobicContact CG2-CD2 4.11Å; V241-L410 HydrophobicContact CG1-CD2 4.01Å; L406-L410 HydrophobicContact CD1-CD1 4.02Å; L406-L410 HydrophobicContact CD1-CG 4.07Å; L406-L410 HydrophobicContact CG-CD1 4.11Å; L406-L410 WeakPolarHBondContact O-CG 3.28Å; L406-L410 PolarHBondContact O-N 2.83Å; E407-L410 PolarHBondContact O-N 3.2Å; E408-L410 PolarHBondContact O-N 3.35Å; L410-R412 VanDerWaalsContact C-N 3.33Å; L410-F413 PolarHBondContact O-N 3.21Å; L410-G414 PolarHBondContact O-N 3.06Å; L410-M415 HydrophobicContact CB-CB 4.26Å; L410-M415 HydrophobicContact CD2-CB 4.42Å; L410-M415 HydrophobicContact CD2-SD 4.03Å; L410-M415 WeakPolarHBondContact O-CB 3.45Å; L410-M415 PolarHBondContact O-N 3.02Å; L410-L416 HydrophobicContact CB-CB 4.17Å; L410-L422 HydrophobicContact CD1-CD2 3.64Å; L410-V426 HydrophobicContact CD1-CG1 4.12Å |
| 411 | T | 94.2 | Very high | 92.4 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 173 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | E407 E408 F413 G414 L416 P418 | E407-T411 WeakPolarHBondContact O-CB 3.29Å; E407-T411 PolarHBondContact O-N 2.93Å; E407-T411 PolarHBondContact O-OG1 2.88Å; E408-T411 PolarHBondContact O-N 3.27Å; T411-F413 VanDerWaalsContact C-N 3.28Å; T411-F413 PolarHBondContact O-N 3.49Å; T411-G414 PolarHBondContact O-N 3.36Å; T411-L416 WeakPolarHBondContact CA-O 3.25Å; T411-P418 HydrophobicContact CG2-CG 4.35Å |
| 412 | R | 92 | Very high | 92.1 | Very high | 155 Ų | 155 | 54 Ų | 54 | 59% | 0.585 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.9 | -30.6 | 176.3 | -68.5 | -67.7 | -173.6 | -178.3 | 0.4 | 113.2 | F366 W368 E408 Q409 L410 G414 | F366-R412 HydrophobicContact CE1-CG 4.35Å; F366-R412 HydrophobicContact CZ-CB 4.26Å; F366-R412 HydrophobicContact CZ-CG 4.03Å; W368-R412 HydrophobicContact CZ3-CB 4.48Å; E408-R412 VanDerWaalsContact O-CG 3.28Å; E408-R412 WeakPolarHBondContact O-CG 3.3Å; E408-R412 PolarHBondContact O-N 2.81Å; Q409-R412 PolarHBondContact O-N 3.47Å; L410-R412 VanDerWaalsContact C-N 3.33Å; R412-G414 PolarHBondContact O-N 3.41Å |
| 413 | F | 92.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 59 Ų | 59 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 1.5 | 172.9 | -63.8 | -10.4 | 0 | 0 | 0 | 113.4 | V241 A243 H246 W368 Q409 L410 T411 M415 | V241-F413 HydrophobicContact CG1-CE2 4.3Å; A243-F413 HydrophobicContact CB-CD2 3.87Å; A243-F413 HydrophobicContact CB-CE2 4.39Å; H246-F413 HydrophobicContact CB-CD1 4.03Å; H246-F413 HydrophobicContact CB-CE1 3.66Å; H246-F413 HydrophobicContact CB-CE2 4.32Å; H246-F413 HydrophobicContact CB-CZ 3.79Å; W368-F413 AromaticContact CD1-CE1 3.76Å; W368-F413 HydrophobicContact CD2-CE1 4.33Å; W368-F413 AromaticContact CE2-CE1 3.74Å; W368-F413 HydrophobicContact CG-CE1 4.36Å; W368-F413 HydrophobicContact CZ2-CD1 4.14Å; W368-F413 HydrophobicContact CZ2-CE1 4.2Å; W368-F413 AromaticContact NE1-CE1 3.36Å; Q409-F413 WeakPolarHBondContact O-CG 3.41Å; Q409-F413 PolarHBondContact O-N 2.8Å; Q409-F413 VanDerWaalsContact O-N 3.09Å; L410-F413 PolarHBondContact O-N 3.21Å; T411-F413 VanDerWaalsContact C-N 3.28Å; T411-F413 PolarHBondContact O-N 3.49Å; F413-M415 HydrophobicContact CB-CG 3.99Å; F413-M415 HydrophobicContact CB-SD 4.48Å; F413-M415 PolarHBondContact O-N 3.44Å |
| 414 | G | 91.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 71% | 0.711 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 21.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L410 T411 R412 | L410-G414 PolarHBondContact O-N 3.06Å; T411-G414 PolarHBondContact O-N 3.36Å; R412-G414 PolarHBondContact O-N 3.41Å |
| 415 | M | 90.3 | Very high | 91.2 | Very high | 65 Ų | 65 | 65 Ų | 65 | 32% | 0.32 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -95.7 | -12.7 | -178.9 | -61.9 | -162.6 | 72.6 | 0 | 0 | 113.8 | V203 A243 F244 L410 F413 | V203-M415 HydrophobicContact CG2-CE 3.26Å; V203-M415 HydrophobicContact CG2-SD 3.64Å; A243-M415 HydrophobicContact CB-CE 4.47Å; A243-M415 HydrophobicContact CB-SD 3.33Å; A243-M415 WeakPolarHBondContact CB-SD 3.45Å; F244-M415 HydrophobicContact CD2-CG 4.27Å; F244-M415 HydrophobicContact CD2-SD 4.14Å; F244-M415 HydrophobicContact CE2-CE 3.91Å; F244-M415 HydrophobicContact CE2-CG 3.65Å; F244-M415 HydrophobicContact CE2-SD 3.7Å; F244-M415 HydrophobicContact CZ-CE 4.23Å; L410-M415 HydrophobicContact CB-CB 4.26Å; L410-M415 HydrophobicContact CD2-CB 4.42Å; L410-M415 HydrophobicContact CD2-SD 4.03Å; L410-M415 WeakPolarHBondContact O-CB 3.45Å; L410-M415 PolarHBondContact O-N 3.02Å; F413-M415 HydrophobicContact CB-CG 3.99Å; F413-M415 HydrophobicContact CB-SD 4.48Å; F413-M415 PolarHBondContact O-N 3.44Å |
| 416 | L | 92.1 | Very high | 91 | Very high | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -141.9 | 136.3 | -176.2 | -166.6 | 67.9 | 0 | 0 | 0 | 107.3 | E407 L410 T411 E420 N421 L422 | E407-L416 HydrophobicContact CB-CD2 4.06Å; E407-L416 HydrophobicContact CG-CD2 4.19Å; L410-L416 HydrophobicContact CB-CB 4.17Å; T411-L416 WeakPolarHBondContact CA-O 3.25Å; L416-E420 HydrophobicContact CD1-CB 3.7Å; L416-E420 HydrophobicContact CD1-CG 3.63Å; L416-E420 WeakPolarHBondContact CD2-O 3.46Å; L416-E420 HydrophobicContact CG-CB 3.96Å; L416-E420 HydrophobicContact CG-CG 4.43Å; L416-N421 WeakPolarHBondContact CD1-O 3.32Å; L416-L422 HydrophobicContact CD2-CD2 4.28Å |
| 417 | L | 90.2 | Very high | 90.8 | Very high | 122 Ų | 122 | 67.3 Ų | 67.3 | 64% | 0.639 | 36% | 0.363 | S | S | * | . | trans | -73.7 | 154.6 | 170.2 | -64.5 | 172.4 | 0 | 0 | 0 | 110 | D419 E420 | L417-D419 PolarHBondContact O-N 3.41Å; L417-E420 HydrophobicContact CB-CB 4.04Å; L417-E420 WeakPolarHBondContact CB-OE2 3.36Å; L417-E420 PolarHBondContact N-OE2 2.6Å; L417-E420 VanDerWaalsContact O-CB 3.27Å; L417-E420 WeakPolarHBondContact O-CB 3.25Å; L417-E420 PolarHBondContact O-N 3.05Å | ||
| 418 | P | 86.2 | Confident | 90.6 | Very high | 96 Ų | 96 | 71.6 Ų | 71.6 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 135.4 | 168.4 | -23.9 | 34.1 | 0 | 0 | 0 | 110.5 | T411 E420 | T411-P418 HydrophobicContact CG2-CG 4.35Å; P418-E420 PolarHBondContact O-N 3.16Å; P418-E420 VanDerWaalsContact O-N 3.16Å |
| 419 | D | 81.6 | Confident | 90.5 | Very high | 169 Ų | 169 | 70.3 Ų | 70.3 | 90% | 0.904 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 7.2 | -177.8 | -49.2 | -46.3 | 0 | 0 | 0 | 115.9 | L417 | L417-D419 PolarHBondContact O-N 3.41Š|
| 420 | E | 87.2 | Confident | 90.5 | Very high | 97 Ų | 97 | 70.4 Ų | 70.4 | 45% | 0.453 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 138.7 | 170.6 | -170.9 | -175.7 | -178.2 | 0 | 0 | 110.5 | L416 L417 P418 | L416-E420 HydrophobicContact CD1-CB 3.7Å; L416-E420 HydrophobicContact CD1-CG 3.63Å; L416-E420 WeakPolarHBondContact CD2-O 3.46Å; L416-E420 HydrophobicContact CG-CB 3.96Å; L416-E420 HydrophobicContact CG-CG 4.43Å; L417-E420 HydrophobicContact CB-CB 4.04Å; L417-E420 WeakPolarHBondContact CB-OE2 3.36Å; L417-E420 PolarHBondContact N-OE2 2.6Å; L417-E420 VanDerWaalsContact O-CB 3.27Å; L417-E420 WeakPolarHBondContact O-CB 3.25Å; L417-E420 PolarHBondContact O-N 3.05Å; P418-E420 PolarHBondContact O-N 3.16Å; P418-E420 VanDerWaalsContact O-N 3.16Å |
| 421 | N | 87.6 | Confident | 90.3 | Very high | 120 Ų | 120 | 73 Ų | 73 | 64% | 0.642 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 152.3 | 175.3 | -72 | -64.4 | 0 | 0 | 0 | 111.3 | L416 N423 | L416-N421 WeakPolarHBondContact CD1-O 3.32Å; N421-N423 PolarHBondContact O-N 2.91Å |
| 422 | L | 90.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 72.8 Ų | 72.8 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 140.9 | 172.1 | -63.7 | 177.2 | 0 | 0 | 0 | 112.1 | K403 L406 E407 L410 L416 V424 E427 | K403-L422 HydrophobicContact CG-CD1 4.14Å; L406-L422 HydrophobicContact CD2-CD1 3.77Å; L406-L422 HydrophobicContact CD2-CD2 4.33Å; L406-L422 HydrophobicContact CG-CD1 4.34Å; L406-L422 HydrophobicContact CG-CD2 4.21Å; E407-L422 HydrophobicContact CG-CD1 4.16Å; E407-L422 HydrophobicContact CG-CD2 3.66Å; E407-L422 HydrophobicContact CG-CG 3.6Å; L410-L422 HydrophobicContact CD1-CD2 3.64Å; L416-L422 HydrophobicContact CD2-CD2 4.28Å; L422-V424 PolarHBondContact O-N 3.49Å; L422-E427 HydrophobicContact CB-CB 3.95Å; L422-E427 HydrophobicContact CD1-CB 4.27Å; L422-E427 HydrophobicContact CD1-CG 4.46Å |
| 423 | N | 89.1 | Confident | 90.2 | Very high | 103 Ų | 103 | 65.4 Ų | 65.4 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 137.5 | 166.6 | -179.8 | -58.2 | 0 | 0 | 0 | 110 | N421 Q425 V426 E427 | N421-N423 PolarHBondContact O-N 2.91Å; N423-Q425 PolarHBondContact O-N 3.02Å; N423-Q425 VanDerWaalsContact O-N 3.08Å; N423-Q425 PolarHBondContact OD1-N 3.21Å; N423-V426 HydrophobicContact CB-CB 4.37Å; N423-V426 HydrophobicContact CB-CG2 4.13Å; N423-V426 PolarHBondContact O-N 3.26Å; N423-E427 PolarHBondContact O-N 3.13Å |
| 424 | V | 89.4 | Confident | 90.3 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 65% | 0.648 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -49 | -39.6 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 113.4 | L422 K428 | L422-V424 PolarHBondContact O-N 3.49Å; V424-K428 WeakPolarHBondContact O-CB 3.18Å; V424-K428 PolarHBondContact O-N 3.27Å |
| 425 | Q | 90.7 | Very high | 90.2 | Very high | 96 Ų | 96 | 61.2 Ų | 61.2 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.1 | -43.6 | 179.4 | -58.8 | -56 | -22.2 | 0 | 0 | 112 | N423 K428 A429 | N423-Q425 PolarHBondContact O-N 3.02Å; N423-Q425 VanDerWaalsContact O-N 3.08Å; N423-Q425 PolarHBondContact OD1-N 3.21Å; Q425-K428 PolarHBondContact O-N 2.79Å; Q425-A429 WeakPolarHBondContact O-CB 3.43Å; Q425-A429 PolarHBondContact O-N 3.24Å |
| 426 | V | 92.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | E200 I205 L410 N423 K428 A429 F430 | E200-V426 HydrophobicContact CB-CG2 4.15Å; I205-V426 HydrophobicContact CD1-CG1 3.87Å; L410-V426 HydrophobicContact CD1-CG1 4.12Å; N423-V426 HydrophobicContact CB-CB 4.37Å; N423-V426 HydrophobicContact CB-CG2 4.13Å; N423-V426 PolarHBondContact O-N 3.26Å; V426-K428 PolarHBondContact O-N 3Å; V426-A429 PolarHBondContact O-N 3.16Å; V426-F430 WeakPolarHBondContact O-CB 3.21Å; V426-F430 PolarHBondContact O-N 3.09Å |
| 427 | E | 92.4 | Very high | 90.4 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 176.7 | -174.4 | 169.3 | -158.7 | 0 | 0 | 111.7 | K403 L422 N423 A429 F430 R431 | K403-E427 WeakPolarHBondContact CE-OE1 3.35Å; K403-E427 IonicContact NZ-OE1 2.99Å; K403-E427 PolarHBondContact NZ-OE1 2.93Å; L422-E427 HydrophobicContact CB-CB 3.95Å; L422-E427 HydrophobicContact CD1-CB 4.27Å; L422-E427 HydrophobicContact CD1-CG 4.46Å; N423-E427 PolarHBondContact O-N 3.13Å; E427-A429 PolarHBondContact O-N 3.45Å; E427-F430 PolarHBondContact O-N 3.43Å; E427-R431 HydrophobicContact CG-CG 4.34Å; E427-R431 WeakPolarHBondContact O-CB 3.23Å; E427-R431 VanDerWaalsContact O-CG 3.31Å; E427-R431 WeakPolarHBondContact O-CG 3.28Å; E427-R431 PolarHBondContact O-N 2.98Å; E427-R431 IonicContact OE1-CZ 3.74Å; E427-R431 VanDerWaalsContact OE1-CZ 3.26Å; E427-R431 IonicContact OE1-NE 3.86Å; E427-R431 PolarHBondContact OE1-NE 3.21Å; E427-R431 IonicContact OE1-NH2 2.82Å; E427-R431 PolarHBondContact OE1-NH2 3.11Å |
| 428 | K | 90.2 | Very high | 90.4 | Very high | 129 Ų | 129 | 54.5 Ų | 54.5 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 176.6 | -177.9 | -176.7 | 175.7 | -170.4 | 0 | 112 | V424 Q425 V426 T432 | V424-K428 WeakPolarHBondContact O-CB 3.18Å; V424-K428 PolarHBondContact O-N 3.27Å; Q425-K428 PolarHBondContact O-N 2.79Å; V426-K428 PolarHBondContact O-N 3Å; K428-T432 WeakPolarHBondContact O-CB 3.48Å; K428-T432 PolarHBondContact O-N 3.49Å; K428-T432 PolarHBondContact O-OG1 2.68Å |
| 429 | A | 91.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -52.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L198 E200 Q425 V426 E427 R431 T432 A433 | L198-A429 HydrophobicContact CB-CB 4.07Å; L198-A429 HydrophobicContact CD1-CB 3.99Å; L198-A429 WeakPolarHBondContact CD1-O 3.34Å; E200-A429 HydrophobicContact CG-CB 3.75Å; Q425-A429 WeakPolarHBondContact O-CB 3.43Å; Q425-A429 PolarHBondContact O-N 3.24Å; V426-A429 PolarHBondContact O-N 3.16Å; E427-A429 PolarHBondContact O-N 3.45Å; A429-R431 PolarHBondContact O-N 3.07Å; A429-T432 WeakPolarHBondContact O-CB 3.5Å; A429-T432 PolarHBondContact O-N 3.46Å; A429-T432 VanDerWaalsContact O-N 3.13Å; A429-A433 PolarHBondContact O-N 3.49Å |
| 430 | F | 94.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51.8 | -52.6 | 175.8 | 166.2 | -95.4 | 0 | 0 | 0 | 112.7 | I205 Q239 T399 A402 K403 L406 V426 E427 T432 A433 W434 | I205-F430 HydrophobicContact CD1-CB 4.21Å; Q239-F430 VanDerWaalsContact OE1-CE2 3.27Å; T399-F430 HydrophobicContact CG2-CE1 3.77Å; T399-F430 HydrophobicContact CG2-CZ 3.9Å; T399-F430 WeakPolarHBondContact O-CZ 3.46Å; A402-F430 HydrophobicContact CB-CE2 4.13Å; A402-F430 HydrophobicContact CB-CZ 4.18Å; K403-F430 HydrophobicContact CB-CE1 3.68Å; K403-F430 HydrophobicContact CB-CZ 3.66Å; K403-F430 HydrophobicContact CG-CE1 3.98Å; K403-F430 HydrophobicContact CG-CZ 4.35Å; L406-F430 HydrophobicContact CD2-CB 3.85Å; L406-F430 HydrophobicContact CD2-CD2 3.49Å; L406-F430 VanDerWaalsContact CD2-CD2 3.49Å; L406-F430 HydrophobicContact CD2-CE2 4.2Å; L406-F430 HydrophobicContact CD2-CG 3.75Å; V426-F430 WeakPolarHBondContact O-CB 3.21Å; V426-F430 PolarHBondContact O-N 3.09Å; E427-F430 PolarHBondContact O-N 3.43Å; F430-T432 VanDerWaalsContact C-N 3.3Å; F430-T432 PolarHBondContact O-N 3.1Å; F430-A433 PolarHBondContact O-N 2.85Å; F430-W434 AromaticContact CD2-CD1 3.57Å; F430-W434 AromaticContact CD2-NE1 3.8Å; F430-W434 AromaticContact CE2-CD1 3.2Å; F430-W434 HydrophobicContact CE2-CG 4.29Å; F430-W434 AromaticContact CE2-NE1 3.15Å; F430-W434 AromaticContact CZ-CD1 3.53Å; F430-W434 HydrophobicContact CZ-CG 4.28Å; F430-W434 AromaticContact CZ-NE1 3.71Å; F430-W434 PolarHBondContact O-N 2.99Å |
| 431 | R | 91.6 | Very high | 91.1 | Very high | 63 Ų | 63 | 38 Ų | 38 | 24% | 0.238 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 178.9 | -76.4 | -177.8 | -174.6 | -169.7 | -0.7 | 112.1 | E427 A429 A435 T456 T458 | E427-R431 HydrophobicContact CG-CG 4.34Å; E427-R431 WeakPolarHBondContact O-CB 3.23Å; E427-R431 VanDerWaalsContact O-CG 3.31Å; E427-R431 WeakPolarHBondContact O-CG 3.28Å; E427-R431 PolarHBondContact O-N 2.98Å; E427-R431 IonicContact OE1-CZ 3.74Å; E427-R431 VanDerWaalsContact OE1-CZ 3.26Å; E427-R431 IonicContact OE1-NE 3.86Å; E427-R431 PolarHBondContact OE1-NE 3.21Å; E427-R431 IonicContact OE1-NH2 2.82Å; E427-R431 PolarHBondContact OE1-NH2 3.11Å; A429-R431 PolarHBondContact O-N 3.07Å; R431-A435 VanDerWaalsContact O-CB 3.25Å; R431-A435 WeakPolarHBondContact O-CB 3.45Å; R431-A435 PolarHBondContact O-N 2.89Å; R431-T456 VanDerWaalsContact CB-O 3.3Å; R431-T456 WeakPolarHBondContact CB-O 3.3Å; R431-T458 PolarHBondContact NH1-O 2.92Å |
| 432 | T | 89.3 | Confident | 91.1 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | K428 A429 F430 A435 N436 | K428-T432 WeakPolarHBondContact O-CB 3.48Å; K428-T432 PolarHBondContact O-N 3.49Å; K428-T432 PolarHBondContact O-OG1 2.68Å; A429-T432 WeakPolarHBondContact O-CB 3.5Å; A429-T432 PolarHBondContact O-N 3.46Å; A429-T432 VanDerWaalsContact O-N 3.13Å; F430-T432 VanDerWaalsContact C-N 3.3Å; F430-T432 PolarHBondContact O-N 3.1Å; T432-A435 PolarHBondContact O-N 3.46Å; T432-N436 WeakPolarHBondContact O-CB 3.45Å; T432-N436 PolarHBondContact O-N 2.94Å; T432-N436 PolarHBondContact O-ND2 2.85Å; T432-N436 PolarHBondContact O-OD1 2.79Å |
| 433 | A | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | S196 L198 V207 A429 F430 N436 N437 | S196-A433 WeakPolarHBondContact OG-CB 3.22Å; L198-A433 HydrophobicContact CD1-CB 3.89Å; V207-A433 HydrophobicContact CB-CB 4.4Å; V207-A433 HydrophobicContact CG2-CB 3.79Å; A429-A433 PolarHBondContact O-N 3.49Å; F430-A433 PolarHBondContact O-N 2.85Å; A433-N436 PolarHBondContact O-N 3.15Å; A433-N437 WeakPolarHBondContact O-CB 3.34Å; A433-N437 PolarHBondContact O-N 2.73Å |
| 434 | W | 94.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.2 | -32.8 | 179.7 | -85.9 | 95.3 | 0 | 0 | 0 | 114.1 | T237 L252 N395 Q398 T399 A402 F430 N437 G438 T456 | T237-W434 HydrophobicContact CG2-CH2 3.44Å; T237-W434 VanDerWaalsContact CG2-CH2 3.44Å; T237-W434 HydrophobicContact CG2-CZ2 4Å; T237-W434 HydrophobicContact CG2-CZ3 3.89Å; L252-W434 HydrophobicContact CD1-CH2 3.91Å; L252-W434 HydrophobicContact CD1-CZ2 4.41Å; N395-W434 PolarHBondContact ND2-O 3.24Å; N395-W434 VanDerWaalsContact ND2-O 3.08Å; Q398-W434 HydrophobicContact CB-CH2 4.12Å; Q398-W434 HydrophobicContact CB-CZ3 3.75Å; T399-W434 HydrophobicContact CG2-CB 3.7Å; T399-W434 HydrophobicContact CG2-CD2 4.35Å; T399-W434 HydrophobicContact CG2-CG 3.89Å; A402-W434 HydrophobicContact CB-CH2 3.97Å; A402-W434 HydrophobicContact CB-CZ2 3.23Å; F430-W434 AromaticContact CD2-CD1 3.57Å; F430-W434 AromaticContact CD2-NE1 3.8Å; F430-W434 AromaticContact CE2-CD1 3.2Å; F430-W434 HydrophobicContact CE2-CG 4.29Å; F430-W434 AromaticContact CE2-NE1 3.15Å; F430-W434 AromaticContact CZ-CD1 3.53Å; F430-W434 HydrophobicContact CZ-CG 4.28Å; F430-W434 AromaticContact CZ-NE1 3.71Å; F430-W434 PolarHBondContact O-N 2.99Å; W434-N437 WeakPolarHBondContact O-CB 3.36Å; W434-G438 PolarHBondContact O-N 2.91Å; W434-T456 HydrophobicContact CB-CG2 4.3Å |
| 435 | A | 89.2 | Confident | 90.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.3 | -47.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R431 T432 N437 G438 D439 T456 R457 | R431-A435 VanDerWaalsContact O-CB 3.25Å; R431-A435 WeakPolarHBondContact O-CB 3.45Å; R431-A435 PolarHBondContact O-N 2.89Å; T432-A435 PolarHBondContact O-N 3.46Å; A435-N437 VanDerWaalsContact C-N 3.28Å; A435-N437 PolarHBondContact O-N 3.3Å; A435-G438 PolarHBondContact O-N 3.07Å; A435-G438 VanDerWaalsContact O-N 3.16Å; A435-D439 PolarHBondContact O-N 2.95Å; A435-T456 HydrophobicContact CB-CG2 3.92Å; A435-R457 HydrophobicContact CB-CB 3.86Å |
| 436 | N | 91.1 | Very high | 89.9 | Confident | 57 Ų | 57 | 20.9 Ų | 20.9 | 31% | 0.305 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -63.8 | -36.5 | 178.1 | -66.8 | -8.1 | 0 | 0 | 0 | 111.6 | T432 A433 D439 S440 R457 | T432-N436 WeakPolarHBondContact O-CB 3.45Å; T432-N436 PolarHBondContact O-N 2.94Å; T432-N436 PolarHBondContact O-ND2 2.85Å; T432-N436 PolarHBondContact O-OD1 2.79Å; A433-N436 PolarHBondContact O-N 3.15Å; N436-D439 PolarHBondContact O-N 3.23Å; N436-S440 WeakPolarHBondContact O-CB 3.37Å; N436-S440 PolarHBondContact O-N 3.14Å; N436-S440 PolarHBondContact O-OG 2.81Å; N436-S440 VanDerWaalsContact O-OG 3.07Å; N436-R457 PolarHBondContact OD1-NH2 3.31Å |
| 437 | N | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.9 | -51.8 | 170.9 | 172.2 | 72 | 0 | 0 | 0 | 111.9 | V207 S209 R254 N395 A433 W434 A435 D439 S440 I441 | V207-N437 HydrophobicContact CG1-CB 4.08Å; S209-N437 VanDerWaalsContact CB-OD1 3.23Å; S209-N437 WeakPolarHBondContact CB-OD1 3.28Å; S209-N437 PolarHBondContact OG-OD1 3.05Å; R254-N437 PolarHBondContact NH2-ND2 3.33Å; N395-N437 PolarHBondContact OD1-ND2 3.49Å; N395-N437 VanDerWaalsContact OD1-ND2 3.08Å; A433-N437 WeakPolarHBondContact O-CB 3.34Å; A433-N437 PolarHBondContact O-N 2.73Å; W434-N437 WeakPolarHBondContact O-CB 3.36Å; A435-N437 VanDerWaalsContact C-N 3.28Å; A435-N437 PolarHBondContact O-N 3.3Å; N437-D439 VanDerWaalsContact C-N 3.32Å; N437-D439 PolarHBondContact O-N 3.1Å; N437-S440 PolarHBondContact O-N 2.61Å; N437-I441 WeakPolarHBondContact O-CG1 3.3Å; N437-I441 PolarHBondContact O-N 3.12Å |
| 438 | G | 91.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.8 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N395 W434 A435 S440 I441 S442 | N395-G438 WeakPolarHBondContact OD1-CA 3.41Å; W434-G438 PolarHBondContact O-N 2.91Å; A435-G438 PolarHBondContact O-N 3.07Å; A435-G438 VanDerWaalsContact O-N 3.16Å; G438-S440 VanDerWaalsContact C-N 3.34Å; G438-S440 PolarHBondContact O-N 2.83Å; G438-I441 PolarHBondContact O-N 2.74Å; G438-S442 WeakPolarHBondContact O-CB 3.05Å; G438-S442 PolarHBondContact O-N 3.33Å |
| 439 | D | 86.1 | Confident | 86.3 | Confident | 10 Ų | 10 | 13.2 Ų | 13.2 | 5% | 0.053 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 178.6 | -67.1 | -29.1 | 0 | 0 | 0 | 111.6 | A435 N436 N437 R443 D449 A450 R457 | A435-D439 PolarHBondContact O-N 2.95Å; N436-D439 PolarHBondContact O-N 3.23Å; N437-D439 VanDerWaalsContact C-N 3.32Å; N437-D439 PolarHBondContact O-N 3.1Å; D439-R443 WeakPolarHBondContact O-CG 3.3Å; D439-R443 PolarHBondContact O-N 3.43Å; D439-R443 PolarHBondContact O-NH1 2.67Å; D439-D449 HydrophobicContact CB-CB 4.37Å; D439-A450 PolarHBondContact OD1-N 3.14Å; D439-A450 VanDerWaalsContact OD1-N 3.15Å; D439-R457 IonicContact OD2-NH2 3.81Å; D439-R457 PolarHBondContact OD2-NH2 2.92Å; D439-R457 VanDerWaalsContact OD2-NH2 3.09Å |
| 440 | S | 91.1 | Very high | 85 | Confident | 4 Ų | 4 | 13.1 Ų | 13.1 | 3% | 0.028 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 179.1 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | H194 N436 N437 G438 S442 R443 Q444 | H194-S440 PolarHBondContact ND1-OG 2.99Å; N436-S440 WeakPolarHBondContact O-CB 3.37Å; N436-S440 PolarHBondContact O-N 3.14Å; N436-S440 PolarHBondContact O-OG 2.81Å; N436-S440 VanDerWaalsContact O-OG 3.07Å; N437-S440 PolarHBondContact O-N 2.61Å; G438-S440 VanDerWaalsContact C-N 3.34Å; G438-S440 PolarHBondContact O-N 2.83Å; S440-S442 VanDerWaalsContact C-N 3.31Å; S440-S442 PolarHBondContact O-N 3.13Å; S440-R443 PolarHBondContact O-N 3.16Å; S440-R443 PolarHBondContact OG-NH2 2.95Å; S440-Q444 VanDerWaalsContact O-CG 3.32Å; S440-Q444 WeakPolarHBondContact O-CG 3.22Å; S440-Q444 PolarHBondContact O-N 3.18Å; S440-Q444 VanDerWaalsContact O-N 3.16Å; S440-Q444 PolarHBondContact O-NE2 3.46Å |
| 441 | I | 92.5 | Very high | 83.6 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 178.9 | -60.1 | -53.3 | 0 | 0 | 0 | 111 | V235 L391 N437 G438 Q444 Y445 | V235-I441 HydrophobicContact CG1-CD1 4Å; V235-I441 HydrophobicContact CG1-CG1 4.47Å; V235-I441 HydrophobicContact CG2-CD1 4.41Å; V235-I441 HydrophobicContact CG2-CG2 4.08Å; L391-I441 HydrophobicContact CD2-CG2 4.15Å; N437-I441 WeakPolarHBondContact O-CG1 3.3Å; N437-I441 PolarHBondContact O-N 3.12Å; G438-I441 PolarHBondContact O-N 2.74Å; I441-Q444 PolarHBondContact O-N 3.44Å; I441-Y445 PolarHBondContact O-N 3.01Å |
| 442 | S | 87.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | G438 S440 Q444 Y445 A446 G447 T448 D449 R476 | G438-S442 WeakPolarHBondContact O-CB 3.05Å; G438-S442 PolarHBondContact O-N 3.33Å; S440-S442 VanDerWaalsContact C-N 3.31Å; S440-S442 PolarHBondContact O-N 3.13Å; S442-Q444 VanDerWaalsContact C-N 3.27Å; S442-Q444 PolarHBondContact O-N 2.87Å; S442-Y445 PolarHBondContact O-N 2.82Å; S442-A446 PolarHBondContact O-N 3.22Å; S442-G447 PolarHBondContact O-N 3.42Å; S442-T448 CarbonylContact C-O 3.56Å; S442-T448 WeakPolarHBondContact CB-O 3.27Å; S442-T448 PolarHBondContact OG-O 3.19Å; S442-D449 VanDerWaalsContact OG-C 3.31Å; S442-D449 PolarHBondContact OG-O 3.13Å; S442-R476 PolarHBondContact OG-NH2 3.01Å |
| 443 | R | 84.4 | Confident | 80.4 | Confident | 49 Ų | 49 | 11.6 Ų | 11.6 | 19% | 0.185 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 178.6 | -76.9 | -169.1 | -58.6 | -78.4 | -5.2 | 112 | D439 S440 G447 T448 D449 | D439-R443 WeakPolarHBondContact O-CG 3.3Å; D439-R443 PolarHBondContact O-N 3.43Å; D439-R443 PolarHBondContact O-NH1 2.67Å; S440-R443 PolarHBondContact O-N 3.16Å; S440-R443 PolarHBondContact OG-NH2 2.95Å; R443-G447 WeakPolarHBondContact O-CA 3.39Å; R443-G447 PolarHBondContact O-N 2.83Å; R443-T448 VanDerWaalsContact CA-O 3.26Å; R443-T448 WeakPolarHBondContact CA-O 3.45Å; R443-T448 WeakPolarHBondContact CG-O 3.26Å; R443-T448 PolarHBondContact N-O 3.36Å; R443-D449 VanDerWaalsContact CD-OD1 3.27Å; R443-D449 WeakPolarHBondContact CD-OD1 3.26Å; R443-D449 WeakPolarHBondContact CG-OD1 3.47Å; R443-D449 IonicContact CZ-OD1 2.7Å; R443-D449 IonicContact NE-OD1 3.73Å; R443-D449 IonicContact NH1-OD1 2.91Å; R443-D449 PolarHBondContact NH1-OD1 3.43Å |
| 444 | Q | 87.2 | Confident | 78.4 | Confident | 19 Ų | 19 | 12.7 Ų | 12.7 | 9% | 0.089 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.2 | -36.1 | -179.6 | -71 | 159.5 | 17.6 | 0 | 0 | 113.4 | S128 N192 G193 S440 I441 S442 | S128-Q444 VanDerWaalsContact OG-CG 3.23Å; S128-Q444 WeakPolarHBondContact OG-CG 3.43Å; S128-Q444 PolarHBondContact OG-NE2 3.39Å; N192-Q444 PolarHBondContact OD1-OE1 2.92Å; G193-Q444 PolarHBondContact O-NE2 3.41Å; S440-Q444 VanDerWaalsContact O-CG 3.32Å; S440-Q444 WeakPolarHBondContact O-CG 3.22Å; S440-Q444 PolarHBondContact O-N 3.18Å; S440-Q444 VanDerWaalsContact O-N 3.16Å; S440-Q444 PolarHBondContact O-NE2 3.46Å; I441-Q444 PolarHBondContact O-N 3.44Å; S442-Q444 VanDerWaalsContact C-N 3.27Å; S442-Q444 PolarHBondContact O-N 2.87Å |
| 445 | Y | 85 | Confident | 76.7 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.016 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -95.9 | -37.9 | -174.9 | -171.2 | -132.6 | 0 | 0 | 0 | 113.6 | R211 G217 R219 K222 N233 E389 L391 I441 S442 | R211-Y445 VanDerWaalsContact NH2-CD2 3.34Å; G217-Y445 VanDerWaalsContact O-CD2 3.27Å; G217-Y445 WeakPolarHBondContact O-CD2 3.26Å; G217-Y445 WeakPolarHBondContact O-CE2 2.67Å; R219-Y445 VanDerWaalsContact CA-CZ 3.45Å; R219-Y445 HydrophobicContact CB-CD1 4.22Å; R219-Y445 HydrophobicContact CB-CE1 4.06Å; R219-Y445 HydrophobicContact CB-CE2 4.48Å; R219-Y445 HydrophobicContact CG-CD1 4.47Å; R219-Y445 HydrophobicContact CG-CE1 4.09Å; R219-Y445 PolarHBondContact N-O 3.4Å; R219-Y445 VanDerWaalsContact N-O 3.08Å; R219-Y445 PolarHBondContact O-OH 2.88Å; K222-Y445 PolarHBondContact O-OH 2.9Å; N233-Y445 HydrophobicContact CB-CD1 4.22Å; N233-Y445 HydrophobicContact CB-CD2 4.03Å; N233-Y445 HydrophobicContact CB-CE1 3.91Å; N233-Y445 HydrophobicContact CB-CE2 3.72Å; N233-Y445 HydrophobicContact CB-CG 4.26Å; N233-Y445 WeakPolarHBondContact ND2-CD1 3.49Å; E389-Y445 WeakPolarHBondContact O-CE1 3.34Å; L391-Y445 HydrophobicContact CD1-CD1 4.1Å; L391-Y445 HydrophobicContact CD2-CD1 3.92Å; L391-Y445 HydrophobicContact CD2-CG 4.48Å; L391-Y445 HydrophobicContact CG-CD1 4.09Å; I441-Y445 PolarHBondContact O-N 3.01Å; S442-Y445 PolarHBondContact O-N 2.82Å |
| 446 | A | 77.2 | Confident | 75.3 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -121 | 0.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | R219 L391 S442 T448 R476 | R219-A446 HydrophobicContact CB-CB 4.47Å; L391-A446 HydrophobicContact CD1-CB 3.78Å; S442-A446 PolarHBondContact O-N 3.22Å; A446-T448 VanDerWaalsContact C-N 3.27Å; A446-T448 PolarHBondContact O-N 2.96Å; A446-R476 HydrophobicContact CB-CG 3.96Å |
| 447 | G | 72.5 | Confident | 74.6 | Confident | 10 Ų | 10 | 16.3 Ų | 16.3 | 10% | 0.103 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 81.7 | -9.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S442 R443 | S442-G447 PolarHBondContact O-N 3.42Å; R443-G447 WeakPolarHBondContact O-CA 3.39Å; R443-G447 PolarHBondContact O-N 2.83Å |
| 448 | T | 58 | Low | 72.8 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -126.7 | 162.7 | -172.8 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | S442 R443 A446 N475 R476 L479 | S442-T448 CarbonylContact C-O 3.56Å; S442-T448 WeakPolarHBondContact CB-O 3.27Å; S442-T448 PolarHBondContact OG-O 3.19Å; R443-T448 VanDerWaalsContact CA-O 3.26Å; R443-T448 WeakPolarHBondContact CA-O 3.45Å; R443-T448 WeakPolarHBondContact CG-O 3.26Å; R443-T448 PolarHBondContact N-O 3.36Å; A446-T448 VanDerWaalsContact C-N 3.27Å; A446-T448 PolarHBondContact O-N 2.96Å; T448-N475 HydrophobicContact CG2-CB 3.92Å; T448-N475 VanDerWaalsContact CG2-ND2 3.28Å; T448-N475 WeakPolarHBondContact CG2-ND2 3.26Å; T448-R476 HydrophobicContact CG2-CG 4.06Å; T448-R476 WeakPolarHBondContact OG1-CG 3.23Å; T448-R476 PolarHBondContact OG1-NE 2.96Å; T448-L479 HydrophobicContact CG2-CD1 3.77Å |
| 449 | D | 69.2 | Low | 71.2 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 165.7 | 171.6 | -69.4 | -12 | 0 | 0 | 0 | 111.7 | D439 S442 R443 K468 R476 K589 | D439-D449 HydrophobicContact CB-CB 4.37Å; S442-D449 VanDerWaalsContact OG-C 3.31Å; S442-D449 PolarHBondContact OG-O 3.13Å; R443-D449 VanDerWaalsContact CD-OD1 3.27Å; R443-D449 WeakPolarHBondContact CD-OD1 3.26Å; R443-D449 WeakPolarHBondContact CG-OD1 3.47Å; R443-D449 IonicContact CZ-OD1 2.7Å; R443-D449 IonicContact NE-OD1 3.73Å; R443-D449 IonicContact NH1-OD1 2.91Å; R443-D449 PolarHBondContact NH1-OD1 3.43Å; D449-K468 IonicContact OD2-NZ 2.78Å; D449-K468 PolarHBondContact OD2-NZ 2.67Å; D449-K468 VanDerWaalsContact OD2-NZ 3.09Å; D449-R476 PolarHBondContact O-NH2 2.88Å; D449-K589 VanDerWaalsContact CG-NZ 3.27Å; D449-K589 WeakPolarHBondContact OD1-CE 3.26Å; D449-K589 IonicContact OD1-NZ 3.27Å; D449-K589 PolarHBondContact OD1-NZ 3.09Å; D449-K589 IonicContact OD2-NZ 2.69Å; D449-K589 PolarHBondContact OD2-NZ 3.23Å |
| 450 | A | 64.2 | Low | 69.7 | Low | 5 Ų | 5 | 25.3 Ų | 25.3 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 145.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D392 D439 | D392-A450 WeakPolarHBondContact OD1-CA 3.47Å; D439-A450 PolarHBondContact OD1-N 3.14Å; D439-A450 VanDerWaalsContact OD1-N 3.15Å |
| 451 | L | 65.2 | Low | 68.3 | Low | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 148.7 | 164 | -47.7 | 180 | 0 | 0 | 0 | 107.9 | D392 G453 D469 H472 S473 | D392-L451 HydrophobicContact CB-CB 4.06Å; D392-L451 VanDerWaalsContact CG-CB 3.48Å; D392-L451 PolarHBondContact OD1-N 3.16Å; D392-L451 WeakPolarHBondContact OD2-CD1 3.47Å; D392-L451 WeakPolarHBondContact OD2-CG 3.32Å; L451-G453 PolarHBondContact O-N 3.07Å; L451-D469 VanDerWaalsContact CA-OD1 3.26Å; L451-D469 WeakPolarHBondContact CA-OD1 3.34Å; L451-D469 HydrophobicContact CB-CB 4.2Å; L451-D469 WeakPolarHBondContact CB-OD2 3.29Å; L451-D469 HydrophobicContact CD2-CB 3.75Å; L451-D469 WeakPolarHBondContact CD2-O 3.31Å; L451-D469 HydrophobicContact CG-CB 4.47Å; L451-H472 HydrophobicContact CD2-CB 3.47Å; L451-H472 VanDerWaalsContact CD2-CB 3.47Å; L451-S473 WeakPolarHBondContact CD1-OG 3.48Å |
| 452 | K | 62.5 | Low | 66.5 | Low | 44 Ų | 44 | 31.9 Ų | 31.9 | 19% | 0.191 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 22.8 | 174.9 | -47.5 | 174.4 | -176.7 | -177.4 | 0 | 113.9 | F347 D454 Y455 T456 R461 D469 | F347-K452 HydrophobicContact CE1-CD 3.86Å; F347-K452 HydrophobicContact CZ-CD 3.71Å; F347-K452 HydrophobicContact CZ-CG 4.39Å; K452-D454 PolarHBondContact O-N 2.95Å; K452-Y455 PolarHBondContact O-N 3.02Å; K452-T456 PolarHBondContact O-N 3.36Å; K452-T456 VanDerWaalsContact O-N 3.13Å; K452-T456 PolarHBondContact O-OG1 3.26Å; K452-T456 VanDerWaalsContact O-OG1 3.11Å; K452-R461 VanDerWaalsContact CA-NH1 3.34Å; K452-D469 WeakPolarHBondContact CG-OD2 3.17Å; K452-D469 PolarHBondContact N-OD1 3.25Å; K452-D469 PolarHBondContact N-OD2 2.94Å |
| 453 | G | 51.7 | Low | 64.7 | Low | 6 Ų | 6 | 34.9 Ų | 34.9 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -27.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L451 R457 | L451-G453 PolarHBondContact O-N 3.07Å; G453-R457 WeakPolarHBondContact O-CB 3.4Å; G453-R457 PolarHBondContact O-N 3.19Å; G453-R457 PolarHBondContact O-NH1 2.75Å; G453-R457 VanDerWaalsContact O-NH1 3.08Å |
| 454 | D | 52.9 | Low | 62.9 | Low | 23 Ų | 23 | 36.6 Ų | 36.6 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71 | -42.6 | 175.7 | 67.3 | -36.7 | 0 | 0 | 0 | 112.6 | K452 T456 R457 T458 R461 K462 | K452-D454 PolarHBondContact O-N 2.95Å; D454-T456 VanDerWaalsContact C-N 3.34Å; D454-R457 PolarHBondContact O-N 2.88Å; D454-T458 WeakPolarHBondContact O-CB 3.46Å; D454-T458 PolarHBondContact O-N 2.83Å; D454-T458 PolarHBondContact O-OG1 3.44Å; D454-R461 IonicContact OD1-CZ 3.17Å; D454-R461 IonicContact OD1-NH1 2.7Å; D454-R461 PolarHBondContact OD1-NH1 2.94Å; D454-R461 WeakPolarHBondContact OD2-CD 3.48Å; D454-R461 IonicContact OD2-NH1 2.75Å; D454-K462 PolarHBondContact OD2-N 2.74Å |
| 455 | Y | 58 | Low | 61.2 | Low | 43 Ų | 43 | 36 Ų | 36 | 17% | 0.169 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.4 | -174.3 | -93 | 0 | 0 | 0 | 110.6 | F347 E348 L396 K452 R457 G459 E460 R461 | F347-Y455 VanDerWaalsContact C-OH 3.28Å; F347-Y455 HydrophobicContact CB-CD1 4.04Å; F347-Y455 HydrophobicContact CB-CD2 4.04Å; F347-Y455 HydrophobicContact CB-CE1 3.42Å; F347-Y455 VanDerWaalsContact CB-CE1 3.42Å; F347-Y455 HydrophobicContact CB-CE2 3.43Å; F347-Y455 VanDerWaalsContact CB-CE2 3.43Å; F347-Y455 HydrophobicContact CB-CG 4.32Å; F347-Y455 WeakPolarHBondContact CB-OH 3.49Å; F347-Y455 HydrophobicContact CD2-CD1 4.21Å; F347-Y455 AromaticContact CD2-CD2 3.48Å; F347-Y455 HydrophobicContact CD2-CD2 3.48Å; F347-Y455 VanDerWaalsContact CD2-CD2 3.48Å; F347-Y455 HydrophobicContact CD2-CE1 4.39Å; F347-Y455 AromaticContact CD2-CE2 3.71Å; F347-Y455 HydrophobicContact CD2-CE2 3.71Å; F347-Y455 AromaticContact CD2-CG 3.76Å; F347-Y455 HydrophobicContact CD2-CG 3.76Å; F347-Y455 HydrophobicContact CE2-CD2 4.29Å; F347-Y455 HydrophobicContact CE2-CG 4.35Å; F347-Y455 HydrophobicContact CG-CD1 4.15Å; F347-Y455 HydrophobicContact CG-CD2 4.08Å; F347-Y455 HydrophobicContact CG-CE1 4.03Å; F347-Y455 AromaticContact CG-CE2 3.97Å; F347-Y455 HydrophobicContact CG-CE2 3.97Å; F347-Y455 HydrophobicContact CG-CG 4.17Å; F347-Y455 AromaticContact CG-CZ 3.96Å; F347-Y455 PolarHBondContact O-OH 2.69Å; E348-Y455 PolarHBondContact N-OH 3.42Å; L396-Y455 HydrophobicContact CD1-CD1 3.56Å; L396-Y455 HydrophobicContact CD1-CE1 4.02Å; L396-Y455 HydrophobicContact CD1-CG 4.49Å; L396-Y455 HydrophobicContact CD2-CE1 4.46Å; L396-Y455 HydrophobicContact CG-CD1 4.2Å; L396-Y455 HydrophobicContact CG-CE1 4.38Å; K452-Y455 PolarHBondContact O-N 3.02Å; Y455-R457 VanDerWaalsContact C-N 3.29Å; Y455-R457 PolarHBondContact O-N 2.88Å; Y455-G459 WeakPolarHBondContact CE2-O 3.25Å; Y455-G459 WeakPolarHBondContact O-CA 3.48Å; Y455-G459 PolarHBondContact O-N 3.44Å; Y455-E460 WeakPolarHBondContact CA-O 3.5Å; Y455-R461 HydrophobicContact CD2-CB 4.45Å |
| 456 | T | 60.8 | Low | 59.8 | Low | 12 Ų | 12 | 37.2 Ų | 37.2 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.7 | -50.5 | 0 | 0 | 0 | 0 | 111.4 | T399 R431 W434 A435 K452 D454 | T399-T456 HydrophobicContact CG2-CG2 4.12Å; R431-T456 VanDerWaalsContact CB-O 3.3Å; R431-T456 WeakPolarHBondContact CB-O 3.3Å; W434-T456 HydrophobicContact CB-CG2 4.3Å; A435-T456 HydrophobicContact CB-CG2 3.92Å; K452-T456 PolarHBondContact O-N 3.36Å; K452-T456 VanDerWaalsContact O-N 3.13Å; K452-T456 PolarHBondContact O-OG1 3.26Å; K452-T456 VanDerWaalsContact O-OG1 3.11Å; D454-T456 VanDerWaalsContact C-N 3.34Å |
| 457 | R | 75.1 | Confident | 58.5 | Low | 79 Ų | 79 | 37.1 Ų | 37.1 | 30% | 0.298 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -77.3 | -35 | -176 | -171.6 | 173.8 | -74.5 | 100.1 | -6.2 | 113.6 | A435 N436 D439 G453 D454 Y455 | A435-R457 HydrophobicContact CB-CB 3.86Å; N436-R457 PolarHBondContact OD1-NH2 3.31Å; D439-R457 IonicContact OD2-NH2 3.81Å; D439-R457 PolarHBondContact OD2-NH2 2.92Å; D439-R457 VanDerWaalsContact OD2-NH2 3.09Å; G453-R457 WeakPolarHBondContact O-CB 3.4Å; G453-R457 PolarHBondContact O-N 3.19Å; G453-R457 PolarHBondContact O-NH1 2.75Å; G453-R457 VanDerWaalsContact O-NH1 3.08Å; D454-R457 PolarHBondContact O-N 2.88Å; Y455-R457 VanDerWaalsContact C-N 3.29Å; Y455-R457 PolarHBondContact O-N 2.88Å |
| 458 | T | 56.8 | Low | 57.7 | Low | 48 Ų | 48 | 40.1 Ų | 40.1 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -117.9 | -14.4 | -171.2 | 65.9 | 0 | 0 | 0 | 0 | 114.2 | R431 D454 E460 | R431-T458 PolarHBondContact NH1-O 2.92Å; D454-T458 WeakPolarHBondContact O-CB 3.46Å; D454-T458 PolarHBondContact O-N 2.83Å; D454-T458 PolarHBondContact O-OG1 3.44Å; T458-E460 PolarHBondContact O-N 2.91Å; T458-E460 PolarHBondContact OG1-N 2.88Å; T458-E460 PolarHBondContact OG1-O 2.87Å |
| 459 | G | 57.3 | Low | 57.7 | Low | 24 Ų | 24 | 40.3 Ų | 40.3 | 25% | 0.247 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 73.6 | 1.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y455 | Y455-G459 WeakPolarHBondContact CE2-O 3.25Å; Y455-G459 WeakPolarHBondContact O-CA 3.48Å; Y455-G459 PolarHBondContact O-N 3.44Å |
| 460 | E | 55 | Low | 57 | Low | 129 Ų | 129 | 40 Ų | 40 | 60% | 0.603 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -128.2 | 145.9 | -178.3 | -66.9 | 177.7 | 172.1 | 0 | 0 | 109.2 | Y455 T458 | Y455-E460 WeakPolarHBondContact CA-O 3.5Å; T458-E460 PolarHBondContact O-N 2.91Å; T458-E460 PolarHBondContact OG1-N 2.88Å; T458-E460 PolarHBondContact OG1-O 2.87Å |
| 461 | R | 61.5 | Low | 56.7 | Low | 41 Ų | 41 | 41.3 Ų | 41.3 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | trans | -91.9 | 121.8 | 175.5 | -170.5 | 63 | 162 | 162.9 | -1 | 109.9 | L345 F347 K452 D454 Y455 M466 D469 | L345-R461 HydrophobicContact CB-CB 4.4Å; L345-R461 HydrophobicContact CB-CG 4.47Å; L345-R461 HydrophobicContact CD1-CB 4.26Å; L345-R461 HydrophobicContact CD1-CG 3.81Å; L345-R461 HydrophobicContact CD2-CG 3.86Å; L345-R461 HydrophobicContact CG-CG 4.24Å; F347-R461 HydrophobicContact CE2-CB 4.32Å; F347-R461 HydrophobicContact CE2-CG 4.31Å; K452-R461 VanDerWaalsContact CA-NH1 3.34Å; D454-R461 IonicContact OD1-CZ 3.17Å; D454-R461 IonicContact OD1-NH1 2.7Å; D454-R461 PolarHBondContact OD1-NH1 2.94Å; D454-R461 WeakPolarHBondContact OD2-CD 3.48Å; D454-R461 IonicContact OD2-NH1 2.75Å; Y455-R461 HydrophobicContact CD2-CB 4.45Å; R461-M466 HydrophobicContact CG-CG 3.85Å; R461-M466 HydrophobicContact CG-SD 4.13Å; R461-D469 IonicContact CZ-OD2 3.15Å; R461-D469 IonicContact NH1-OD1 2.91Å; R461-D469 IonicContact NH1-OD2 3.34Å; R461-D469 PolarHBondContact NH1-OD2 3.05Å; R461-D469 IonicContact NH2-OD2 3.59Å; R461-D469 PolarHBondContact NH2-OD2 2.67Å | ||
| 462 | K | 54.4 | Low | 56.4 | Low | 104 Ų | 104 | 40.3 Ų | 40.3 | 45% | 0.452 | 20% | 0.2 | S | C | . | . | trans | -105.4 | 144.6 | 179.6 | -61.5 | -175.4 | -178.6 | -174 | 0 | 110.2 | D454 V464 G465 M466 | D454-K462 PolarHBondContact OD2-N 2.74Å; K462-V464 PolarHBondContact O-N 3.02Å; K462-G465 WeakPolarHBondContact O-CA 3.5Å; K462-G465 PolarHBondContact O-N 3.31Å; K462-M466 PolarHBondContact O-N 2.82Å | ||
| 463 | L | 49.7 | Very low | 56.2 | Low | 63 Ų | 63 | 38.6 Ų | 38.6 | 33% | 0.33 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -51.8 | -43.6 | 176.8 | -171.1 | 67.9 | 0 | 0 | 0 | 112.2 | G465 M466 V467 I536 Y579 K595 | L463-G465 VanDerWaalsContact C-N 3.29Å; L463-G465 PolarHBondContact O-N 3.27Å; L463-M466 PolarHBondContact O-N 3.45Å; L463-M466 VanDerWaalsContact O-N 3.12Å; L463-V467 WeakPolarHBondContact O-CG2 3.3Å; L463-V467 PolarHBondContact O-N 2.75Å; L463-V467 VanDerWaalsContact O-N 3.1Å; L463-I536 WeakPolarHBondContact CD1-O 3.27Å; L463-Y579 HydrophobicContact CD2-CE1 3.98Å; L463-K595 HydrophobicContact CD2-CD 4.1Å |
| 464 | V | 47.4 | Very low | 56.4 | Low | 84 Ų | 84 | 39 Ų | 39 | 51% | 0.509 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.6 | -39.9 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | K462 V467 K468 F593 | K462-V464 PolarHBondContact O-N 3.02Å; V464-V467 PolarHBondContact O-N 2.91Å; V464-K468 PolarHBondContact O-N 3.2Å; V464-K468 VanDerWaalsContact O-N 3.14Å; V464-F593 HydrophobicContact CB-CD1 4.08Å; V464-F593 HydrophobicContact CG1-CB 4.21Å; V464-F593 HydrophobicContact CG1-CD1 3.92Å; V464-F593 HydrophobicContact CG1-CG 4.41Å; V464-F593 HydrophobicContact CG2-CD1 3.85Å; V464-F593 HydrophobicContact CG2-CE1 4.18Å |
| 465 | G | 50.1 | Low | 56.6 | Low | 8 Ų | 8 | 38.3 Ų | 38.3 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.2 | -35 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K462 L463 V467 K468 D469 | K462-G465 WeakPolarHBondContact O-CA 3.5Å; K462-G465 PolarHBondContact O-N 3.31Å; L463-G465 VanDerWaalsContact C-N 3.29Å; L463-G465 PolarHBondContact O-N 3.27Å; G465-V467 VanDerWaalsContact C-N 3.34Å; G465-K468 PolarHBondContact O-N 3.09Å; G465-D469 VanDerWaalsContact O-CG 3.27Å; G465-D469 PolarHBondContact O-N 3.35Å; G465-D469 VanDerWaalsContact O-OD1 3.12Å |
| 466 | M | 55.8 | Low | 57.1 | Low | 28 Ų | 28 | 36.5 Ų | 36.5 | 14% | 0.138 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -36.5 | 175.3 | -57.3 | 172.6 | 54.6 | 0 | 0 | 112.7 | L345 R461 K462 L463 D469 G470 L535 | L345-M466 HydrophobicContact CD1-CE 4.03Å; L345-M466 HydrophobicContact CD1-SD 3.54Å; L345-M466 VanDerWaalsContact CD1-SD 3.54Å; L345-M466 HydrophobicContact CD2-CE 4.48Å; L345-M466 HydrophobicContact CD2-SD 4.44Å; R461-M466 HydrophobicContact CG-CG 3.85Å; R461-M466 HydrophobicContact CG-SD 4.13Å; K462-M466 PolarHBondContact O-N 2.82Å; L463-M466 PolarHBondContact O-N 3.45Å; L463-M466 VanDerWaalsContact O-N 3.12Å; M466-D469 WeakPolarHBondContact O-CB 3.48Å; M466-D469 PolarHBondContact O-N 2.76Å; M466-G470 PolarHBondContact O-N 3.46Å; M466-L535 WeakPolarHBondContact CB-O 3.12Å; M466-L535 WeakPolarHBondContact CE-O 3.32Å |
| 467 | V | 51.2 | Low | 57 | Low | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.3 | -45 | 174.8 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | L463 V464 G465 D469 G470 Y471 I536 A581 F590 F593 | L463-V467 WeakPolarHBondContact O-CG2 3.3Å; L463-V467 PolarHBondContact O-N 2.75Å; L463-V467 VanDerWaalsContact O-N 3.1Å; V464-V467 PolarHBondContact O-N 2.91Å; G465-V467 VanDerWaalsContact C-N 3.34Å; V467-D469 PolarHBondContact O-N 3.24Å; V467-G470 PolarHBondContact O-N 2.92Å; V467-G470 VanDerWaalsContact O-N 3.16Å; V467-Y471 PolarHBondContact O-N 2.97Å; V467-Y471 VanDerWaalsContact O-N 3.14Å; V467-I536 HydrophobicContact CB-CG1 3.81Å; V467-I536 HydrophobicContact CB-CG2 4.46Å; V467-I536 HydrophobicContact CG1-CD1 3.9Å; V467-I536 HydrophobicContact CG1-CG1 3.74Å; V467-I536 HydrophobicContact CG1-CG2 4.5Å; V467-I536 HydrophobicContact CG2-CB 3.88Å; V467-I536 HydrophobicContact CG2-CG1 3.63Å; V467-I536 HydrophobicContact CG2-CG2 3.46Å; V467-I536 VanDerWaalsContact CG2-CG2 3.46Å; V467-A581 HydrophobicContact CG1-CB 4.4Å; V467-F590 HydrophobicContact CG1-CE2 4.48Å; V467-F593 HydrophobicContact CB-CD2 3.88Å; V467-F593 HydrophobicContact CB-CE2 3.68Å; V467-F593 HydrophobicContact CB-CG 4.37Å; V467-F593 HydrophobicContact CB-CZ 3.99Å; V467-F593 HydrophobicContact CG1-CD2 3.45Å; V467-F593 VanDerWaalsContact CG1-CD2 3.45Å; V467-F593 HydrophobicContact CG1-CE2 3.45Å; V467-F593 VanDerWaalsContact CG1-CE2 3.45Å; V467-F593 HydrophobicContact CG1-CG 4.3Å; V467-F593 HydrophobicContact CG1-CZ 4.26Å; V467-F593 HydrophobicContact CG2-CD2 3.98Å; V467-F593 HydrophobicContact CG2-CE1 3.88Å; V467-F593 HydrophobicContact CG2-CE2 3.27Å; V467-F593 HydrophobicContact CG2-CZ 3.16Å |
| 468 | K | 54.9 | Low | 56.3 | Low | 73 Ų | 73 | 36.9 Ų | 36.9 | 32% | 0.317 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -53.8 | -38.6 | 173.8 | -176 | 174.9 | 175.8 | -178.7 | 0 | 110.7 | D449 V464 G465 H472 | D449-K468 IonicContact OD2-NZ 2.78Å; D449-K468 PolarHBondContact OD2-NZ 2.67Å; D449-K468 VanDerWaalsContact OD2-NZ 3.09Å; V464-K468 PolarHBondContact O-N 3.2Å; V464-K468 VanDerWaalsContact O-N 3.14Å; G465-K468 PolarHBondContact O-N 3.09Å; K468-H472 WeakPolarHBondContact CE-NE2 3.27Å; K468-H472 VanDerWaalsContact CG-NE2 3.32Å; K468-H472 WeakPolarHBondContact CG-NE2 3.24Å; K468-H472 PolarHBondContact O-CD2 3.32Å; K468-H472 PolarHBondContact O-N 2.67Å |
| 469 | D | 57.5 | Low | 56.4 | Low | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.8 | -40.4 | 178 | -73.5 | 11.4 | 0 | 0 | 0 | 114.4 | L451 K452 R461 G465 M466 V467 Y471 H472 S473 | L451-D469 VanDerWaalsContact CA-OD1 3.26Å; L451-D469 WeakPolarHBondContact CA-OD1 3.34Å; L451-D469 HydrophobicContact CB-CB 4.2Å; L451-D469 WeakPolarHBondContact CB-OD2 3.29Å; L451-D469 HydrophobicContact CD2-CB 3.75Å; L451-D469 WeakPolarHBondContact CD2-O 3.31Å; L451-D469 HydrophobicContact CG-CB 4.47Å; K452-D469 WeakPolarHBondContact CG-OD2 3.17Å; K452-D469 PolarHBondContact N-OD1 3.25Å; K452-D469 PolarHBondContact N-OD2 2.94Å; R461-D469 IonicContact CZ-OD2 3.15Å; R461-D469 IonicContact NH1-OD1 2.91Å; R461-D469 IonicContact NH1-OD2 3.34Å; R461-D469 PolarHBondContact NH1-OD2 3.05Å; R461-D469 IonicContact NH2-OD2 3.59Å; R461-D469 PolarHBondContact NH2-OD2 2.67Å; G465-D469 VanDerWaalsContact O-CG 3.27Å; G465-D469 PolarHBondContact O-N 3.35Å; G465-D469 VanDerWaalsContact O-OD1 3.12Å; M466-D469 WeakPolarHBondContact O-CB 3.48Å; M466-D469 PolarHBondContact O-N 2.76Å; V467-D469 PolarHBondContact O-N 3.24Å; D469-Y471 VanDerWaalsContact C-N 3.31Å; D469-Y471 PolarHBondContact O-N 2.93Å; D469-H472 PolarHBondContact O-N 3.2Å; D469-S473 WeakPolarHBondContact O-CB 3.2Å; D469-S473 PolarHBondContact O-N 3.35Å; D469-S473 PolarHBondContact O-OG 3.42Å |
| 470 | G | 54.7 | Low | 56.8 | Low | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.9 | -51.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | M466 V467 H472 S473 A474 C532 | M466-G470 PolarHBondContact O-N 3.46Å; V467-G470 PolarHBondContact O-N 2.92Å; V467-G470 VanDerWaalsContact O-N 3.16Å; G470-H472 PolarHBondContact O-N 3.08Å; G470-S473 WeakPolarHBondContact O-CA 3.03Å; G470-S473 VanDerWaalsContact O-CB 3.28Å; G470-S473 WeakPolarHBondContact O-CB 3.48Å; G470-S473 PolarHBondContact O-N 2.85Å; G470-S473 VanDerWaalsContact O-N 3.12Å; G470-A474 PolarHBondContact O-N 3.41Å; G470-C532 PolarHBondContact O-SG 3.07Å |
| 471 | Y | 57.4 | Low | 57.1 | Low | 31 Ų | 31 | 30.6 Ų | 30.6 | 12% | 0.122 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 177.2 | 168.8 | -90.3 | 0 | 0 | 0 | 114.4 | V467 D469 S473 A474 N475 Y583 F590 | V467-Y471 PolarHBondContact O-N 2.97Å; V467-Y471 VanDerWaalsContact O-N 3.14Å; D469-Y471 VanDerWaalsContact C-N 3.31Å; D469-Y471 PolarHBondContact O-N 2.93Å; Y471-S473 PolarHBondContact O-N 3.35Å; Y471-A474 CarbonylContact O-C 3.5Å; Y471-A474 WeakPolarHBondContact O-CA 3.33Å; Y471-A474 WeakPolarHBondContact O-CB 3.41Å; Y471-A474 PolarHBondContact O-N 3.14Å; Y471-N475 HydrophobicContact CE1-CB 3.94Å; Y471-N475 HydrophobicContact CE2-CB 4.33Å; Y471-N475 WeakPolarHBondContact O-CB 3.43Å; Y471-N475 PolarHBondContact O-N 3.16Å; Y471-N475 WeakPolarHBondContact OH-CB 3.33Å; Y471-N475 PolarHBondContact OH-ND2 3.3Å; Y471-Y583 HydrophobicContact CE1-CD2 4.05Å; Y471-Y583 AromaticContact CE1-CE2 4Å; Y471-Y583 HydrophobicContact CE1-CE2 4Å; Y471-Y583 AromaticContact CE2-CD2 3.73Å; Y471-Y583 HydrophobicContact CE2-CD2 3.73Å; Y471-Y583 HydrophobicContact CE2-CE2 4.02Å; Y471-Y583 HydrophobicContact CE2-CG 4.16Å; Y471-Y583 AromaticContact CZ-CD2 3.36Å; Y471-Y583 AromaticContact CZ-CE2 3.29Å; Y471-Y583 VanDerWaalsContact OH-CD2 3.26Å; Y471-Y583 WeakPolarHBondContact OH-CD2 3.13Å; Y471-Y583 WeakPolarHBondContact OH-CE2 3.5Å; Y471-Y583 PolarHBondContact OH-OH 2.72Å; Y471-F590 AromaticContact CD1-CD2 3.71Å; Y471-F590 HydrophobicContact CD1-CD2 3.71Å; Y471-F590 AromaticContact CD1-CE2 3.9Å; Y471-F590 HydrophobicContact CD1-CE2 3.9Å; Y471-F590 HydrophobicContact CD1-CG 4.23Å; Y471-F590 HydrophobicContact CD1-CZ 4.47Å; Y471-F590 HydrophobicContact CD2-CD1 4.42Å; Y471-F590 HydrophobicContact CD2-CD2 4.09Å; Y471-F590 AromaticContact CD2-CE1 3.85Å; Y471-F590 HydrophobicContact CD2-CE1 3.85Å; Y471-F590 AromaticContact CD2-CE2 3.52Å; Y471-F590 HydrophobicContact CD2-CE2 3.52Å; Y471-F590 AromaticContact CD2-CZ 3.33Å; Y471-F590 HydrophobicContact CD2-CZ 3.33Å; Y471-F590 HydrophobicContact CE2-CE1 4.31Å; Y471-F590 HydrophobicContact CE2-CZ 4.21Å; Y471-F590 AromaticContact CG-CD2 3.47Å; Y471-F590 HydrophobicContact CG-CD2 3.47Å; Y471-F590 VanDerWaalsContact CG-CD2 3.47Å; Y471-F590 HydrophobicContact CG-CE1 4.24Å; Y471-F590 AromaticContact CG-CE2 3.15Å; Y471-F590 HydrophobicContact CG-CE2 3.15Å; Y471-F590 HydrophobicContact CG-CG 4.2Å; Y471-F590 AromaticContact CG-CZ 3.54Å; Y471-F590 HydrophobicContact CG-CZ 3.54Å |
| 472 | H | 60.5 | Low | 57.2 | Low | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -35 | 175.8 | -73.7 | -36.9 | 0 | 0 | 0 | 111.3 | L451 K468 D469 G470 A474 N475 R476 | L451-H472 HydrophobicContact CD2-CB 3.47Å; L451-H472 VanDerWaalsContact CD2-CB 3.47Å; K468-H472 WeakPolarHBondContact CE-NE2 3.27Å; K468-H472 VanDerWaalsContact CG-NE2 3.32Å; K468-H472 WeakPolarHBondContact CG-NE2 3.24Å; K468-H472 PolarHBondContact O-CD2 3.32Å; K468-H472 PolarHBondContact O-N 2.67Å; D469-H472 PolarHBondContact O-N 3.2Å; G470-H472 PolarHBondContact O-N 3.08Å; H472-A474 VanDerWaalsContact C-N 3.34Å; H472-A474 PolarHBondContact O-N 2.96Å; H472-N475 PolarHBondContact O-N 2.84Å; H472-R476 VanDerWaalsContact O-CB 3.28Å; H472-R476 WeakPolarHBondContact O-CB 3.32Å; H472-R476 WeakPolarHBondContact O-CD 3.48Å; H472-R476 WeakPolarHBondContact O-CG 3.48Å; H472-R476 PolarHBondContact O-N 2.88Å |
| 473 | S | 56.6 | Low | 57.9 | Low | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 173.1 | -57 | 0 | 0 | 0 | 0 | 112.2 | L451 D469 G470 Y471 Y477 | L451-S473 WeakPolarHBondContact CD1-OG 3.48Å; D469-S473 WeakPolarHBondContact O-CB 3.2Å; D469-S473 PolarHBondContact O-N 3.35Å; D469-S473 PolarHBondContact O-OG 3.42Å; G470-S473 WeakPolarHBondContact O-CA 3.03Å; G470-S473 VanDerWaalsContact O-CB 3.28Å; G470-S473 WeakPolarHBondContact O-CB 3.48Å; G470-S473 PolarHBondContact O-N 2.85Å; G470-S473 VanDerWaalsContact O-N 3.12Å; Y471-S473 PolarHBondContact O-N 3.35Å; S473-Y477 PolarHBondContact O-N 2.93Å |
| 474 | A | 57.7 | Low | 59 | Low | 14 Ų | 14 | 26.1 Ų | 26.1 | 12% | 0.116 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.4 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G470 Y471 H472 R476 Y477 Y478 M528 | G470-A474 PolarHBondContact O-N 3.41Å; Y471-A474 CarbonylContact O-C 3.5Å; Y471-A474 WeakPolarHBondContact O-CA 3.33Å; Y471-A474 WeakPolarHBondContact O-CB 3.41Å; Y471-A474 PolarHBondContact O-N 3.14Å; H472-A474 VanDerWaalsContact C-N 3.34Å; H472-A474 PolarHBondContact O-N 2.96Å; A474-R476 VanDerWaalsContact C-N 3.35Å; A474-R476 PolarHBondContact O-N 3.4Å; A474-Y477 WeakPolarHBondContact O-CA 3.43Å; A474-Y477 WeakPolarHBondContact O-CB 3.38Å; A474-Y477 PolarHBondContact O-N 3.27Å; A474-Y478 PolarHBondContact O-N 2.84Å; A474-M528 WeakPolarHBondContact CA-SD 3.15Å; A474-M528 HydrophobicContact CB-CE 3.71Å; A474-M528 HydrophobicContact CB-CG 3.63Å; A474-M528 HydrophobicContact CB-SD 3.36Å; A474-M528 WeakPolarHBondContact CB-SD 3.5Å |
| 475 | N | 57.2 | Low | 60.2 | Low | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.043 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.2 | -36.4 | -179 | -169.3 | 28 | 0 | 0 | 0 | 111.9 | T448 Y471 H472 Y477 Y478 L479 D588 | T448-N475 HydrophobicContact CG2-CB 3.92Å; T448-N475 VanDerWaalsContact CG2-ND2 3.28Å; T448-N475 WeakPolarHBondContact CG2-ND2 3.26Å; Y471-N475 HydrophobicContact CE1-CB 3.94Å; Y471-N475 HydrophobicContact CE2-CB 4.33Å; Y471-N475 WeakPolarHBondContact O-CB 3.43Å; Y471-N475 PolarHBondContact O-N 3.16Å; Y471-N475 WeakPolarHBondContact OH-CB 3.33Å; Y471-N475 PolarHBondContact OH-ND2 3.3Å; H472-N475 PolarHBondContact O-N 2.84Å; N475-Y477 PolarHBondContact O-N 3.06Å; N475-Y478 PolarHBondContact O-N 3.23Å; N475-Y478 VanDerWaalsContact O-N 3.14Å; N475-L479 WeakPolarHBondContact O-CB 3.42Å; N475-L479 VanDerWaalsContact O-CG 3.25Å; N475-L479 WeakPolarHBondContact O-CG 3.05Å; N475-L479 PolarHBondContact O-N 2.83Å; N475-L479 WeakPolarHBondContact OD1-CG 3.46Å; N475-D588 VanDerWaalsContact ND2-CG 3.29Å; N475-D588 PolarHBondContact ND2-OD1 2.76Å |
| 476 | R | 66.6 | Low | 61.5 | Low | 6 Ų | 6 | 29 Ų | 29 | 2% | 0.023 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.1 | -35.8 | 169.2 | -74.4 | 169.3 | -176.3 | -170 | 2.6 | 112.4 | E389 D392 S442 A446 T448 D449 H472 A474 S480 | E389-R476 IonicContact OE2-NH1 2.68Å; E389-R476 PolarHBondContact OE2-NH1 2.7Å; D392-R476 IonicContact OD1-CZ 3.82Å; D392-R476 IonicContact OD1-NH1 3.11Å; D392-R476 IonicContact OD1-NH2 2.68Å; D392-R476 PolarHBondContact OD1-NH2 3.27Å; D392-R476 IonicContact OD2-CZ 3.69Å; D392-R476 IonicContact OD2-NH1 3.08Å; D392-R476 PolarHBondContact OD2-NH1 3.4Å; D392-R476 IonicContact OD2-NH2 3.56Å; S442-R476 PolarHBondContact OG-NH2 3.01Å; A446-R476 HydrophobicContact CB-CG 3.96Å; T448-R476 HydrophobicContact CG2-CG 4.06Å; T448-R476 WeakPolarHBondContact OG1-CG 3.23Å; T448-R476 PolarHBondContact OG1-NE 2.96Å; D449-R476 PolarHBondContact O-NH2 2.88Å; H472-R476 VanDerWaalsContact O-CB 3.28Å; H472-R476 WeakPolarHBondContact O-CB 3.32Å; H472-R476 WeakPolarHBondContact O-CD 3.48Å; H472-R476 WeakPolarHBondContact O-CG 3.48Å; H472-R476 PolarHBondContact O-N 2.88Å; A474-R476 VanDerWaalsContact C-N 3.35Å; A474-R476 PolarHBondContact O-N 3.4Å; R476-S480 WeakPolarHBondContact O-CB 3.31Å; R476-S480 PolarHBondContact O-N 3.13Å; R476-S480 PolarHBondContact O-OG 3.09Å |
| 477 | Y | 59.7 | Low | 62.7 | Low | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -75 | -39 | 175.9 | 175.2 | -96.3 | 0 | 0 | 0 | 112 | Y266 Y268 S473 A474 N475 S480 H481 E524 M528 | Y266-Y477 VanDerWaalsContact O-CE2 3.28Å; Y266-Y477 WeakPolarHBondContact O-CE2 3.45Å; Y266-Y477 PolarHBondContact O-OH 3.38Å; Y268-Y477 AromaticContact CD2-CD2 3.73Å; Y268-Y477 HydrophobicContact CD2-CD2 3.73Å; Y268-Y477 HydrophobicContact CD2-CE2 4.34Å; Y268-Y477 AromaticContact CD2-CG 3.88Å; Y268-Y477 HydrophobicContact CD2-CG 3.88Å; Y268-Y477 HydrophobicContact CE2-CG 4.47Å; S473-Y477 PolarHBondContact O-N 2.93Å; A474-Y477 WeakPolarHBondContact O-CA 3.43Å; A474-Y477 WeakPolarHBondContact O-CB 3.38Å; A474-Y477 PolarHBondContact O-N 3.27Å; N475-Y477 PolarHBondContact O-N 3.06Å; Y477-S480 PolarHBondContact O-OG 3.31Å; Y477-H481 AromaticContact CD2-CE1 3.82Å; Y477-H481 AromaticContact CE2-CE1 3.4Å; Y477-H481 VanDerWaalsContact CE2-CE1 3.4Å; Y477-H481 WeakPolarHBondContact CE2-CE1 3.42Å; Y477-H481 AromaticContact CZ-CE1 3.68Å; Y477-H481 PolarHBondContact O-ND1 2.84Å; Y477-E524 HydrophobicContact CE1-CB 4.39Å; Y477-E524 HydrophobicContact CE2-CB 4.44Å; Y477-E524 WeakPolarHBondContact OH-CB 3.38Å; Y477-M528 HydrophobicContact CD1-SD 3.75Å; Y477-M528 HydrophobicContact CG-SD 4.28Å |
| 478 | Y | 59.6 | Low | 64.4 | Low | 95 Ų | 95 | 30.9 Ų | 30.9 | 37% | 0.373 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -68.3 | -50.7 | 177.3 | -179.2 | -100.9 | 0 | 0 | 0 | 112.4 | A474 N475 S480 H481 L482 | A474-Y478 PolarHBondContact O-N 2.84Å; N475-Y478 PolarHBondContact O-N 3.23Å; N475-Y478 VanDerWaalsContact O-N 3.14Å; Y478-S480 PolarHBondContact O-N 3.06Å; Y478-H481 PolarHBondContact O-N 2.93Å; Y478-L482 HydrophobicContact CD1-CD1 4.42Å; Y478-L482 HydrophobicContact CD2-CD1 4.29Å; Y478-L482 HydrophobicContact CE1-CD1 3.69Å; Y478-L482 HydrophobicContact CE2-CD1 3.55Å; Y478-L482 WeakPolarHBondContact OH-CD1 3.48Å |
| 479 | L | 60.7 | Low | 65.7 | Low | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -34.3 | -179.4 | -68.4 | 171.6 | 0 | 0 | 0 | 112.8 | T448 N475 H481 L482 K483 D484 D588 | T448-L479 HydrophobicContact CG2-CD1 3.77Å; N475-L479 WeakPolarHBondContact O-CB 3.42Å; N475-L479 VanDerWaalsContact O-CG 3.25Å; N475-L479 WeakPolarHBondContact O-CG 3.05Å; N475-L479 PolarHBondContact O-N 2.83Å; N475-L479 WeakPolarHBondContact OD1-CG 3.46Å; L479-H481 PolarHBondContact O-N 2.99Å; L479-L482 PolarHBondContact O-N 3.37Å; L479-K483 HydrophobicContact CD2-CD 3.75Å; L479-K483 HydrophobicContact CD2-CG 4.45Å; L479-K483 PolarHBondContact O-N 3.3Å; L479-D484 PolarHBondContact O-N 3.36Å; L479-D588 VanDerWaalsContact CD1-OD2 3.23Å; L479-D588 WeakPolarHBondContact CD1-OD2 3.25Å |
| 480 | S | 64.2 | Low | 67.1 | Low | 19 Ų | 19 | 29.5 Ų | 29.5 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -27 | -179.2 | 61.5 | 0 | 0 | 0 | 0 | 114 | R476 Y477 Y478 D484 | R476-S480 WeakPolarHBondContact O-CB 3.31Å; R476-S480 PolarHBondContact O-N 3.13Å; R476-S480 PolarHBondContact O-OG 3.09Å; Y477-S480 PolarHBondContact O-OG 3.31Å; Y478-S480 PolarHBondContact O-N 3.06Å; S480-D484 WeakPolarHBondContact CA-OD2 3.4Å |
| 481 | H | 61.8 | Low | 68.8 | Low | 48 Ų | 48 | 29.9 Ų | 29.9 | 22% | 0.222 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -91.8 | -26.8 | -177.3 | -67.2 | 92.8 | 0 | 0 | 0 | 113 | Y266 Y477 Y478 L479 W517 | Y266-H481 WeakPolarHBondContact CA-NE2 3.35Å; Y266-H481 AromaticContact CD1-CD2 3.69Å; Y266-H481 AromaticContact CD1-NE2 3.82Å; Y477-H481 AromaticContact CD2-CE1 3.82Å; Y477-H481 AromaticContact CE2-CE1 3.4Å; Y477-H481 VanDerWaalsContact CE2-CE1 3.4Å; Y477-H481 WeakPolarHBondContact CE2-CE1 3.42Å; Y477-H481 AromaticContact CZ-CE1 3.68Å; Y477-H481 PolarHBondContact O-ND1 2.84Å; Y478-H481 PolarHBondContact O-N 2.93Å; L479-H481 PolarHBondContact O-N 2.99Å; H481-W517 HydrophobicContact CB-CG 4.48Å; H481-W517 AromaticContact CD2-CD1 3.41Å; H481-W517 VanDerWaalsContact CD2-CD1 3.41Å; H481-W517 AromaticContact CD2-NE1 3.92Å; H481-W517 AromaticContact CG-CD1 3.58Å; H481-W517 AromaticContact CG-NE1 3.61Å; H481-W517 AromaticContact ND1-NE1 3.89Å; H481-W517 AromaticContact NE2-CD1 3.88Å |
| 482 | L | 63.7 | Low | 70.3 | Confident | 53 Ų | 53 | 28.9 Ų | 28.9 | 28% | 0.277 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -111.4 | -28.4 | -171.9 | -65.2 | 177.5 | 0 | 0 | 0 | 115.4 | Y478 L479 R486 L514 | Y478-L482 HydrophobicContact CD1-CD1 4.42Å; Y478-L482 HydrophobicContact CD2-CD1 4.29Å; Y478-L482 HydrophobicContact CE1-CD1 3.69Å; Y478-L482 HydrophobicContact CE2-CD1 3.55Å; Y478-L482 WeakPolarHBondContact OH-CD1 3.48Å; L479-L482 PolarHBondContact O-N 3.37Å; L482-R486 PolarHBondContact O-NH2 3.37Å; L482-L514 HydrophobicContact CD2-CD1 4.23Å |
| 483 | K | 68.6 | Low | 71.7 | Confident | 59 Ų | 59 | 29.9 Ų | 29.9 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -22.2 | -169.5 | -64.1 | -174.4 | -171.8 | 169.1 | 0 | 112.8 | L479 Y485 R486 R487 | L479-K483 HydrophobicContact CD2-CD 3.75Å; L479-K483 HydrophobicContact CD2-CG 4.45Å; L479-K483 PolarHBondContact O-N 3.3Å; K483-Y485 PolarHBondContact O-N 3.45Å; K483-R486 PolarHBondContact O-N 2.87Å; K483-R487 WeakPolarHBondContact O-CB 3.5Å; K483-R487 WeakPolarHBondContact O-CG 3.46Å; K483-R487 PolarHBondContact O-N 3.48Å |
| 484 | D | 72.9 | Confident | 73.3 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | -175.3 | -89.3 | 11.3 | 0 | 0 | 0 | 113.6 | T218 L221 L479 S480 R487 Q488 | T218-D484 VanDerWaalsContact CB-CG 3.46Å; T218-D484 WeakPolarHBondContact CB-OD2 3.23Å; T218-D484 HydrophobicContact CG2-CB 4.07Å; T218-D484 WeakPolarHBondContact CG2-O 3.34Å; L221-D484 HydrophobicContact CD1-CB 4.41Å; L479-D484 PolarHBondContact O-N 3.36Å; S480-D484 WeakPolarHBondContact CA-OD2 3.4Å; D484-R487 PolarHBondContact O-N 2.78Å; D484-R487 IonicContact OD1-NH1 3.98Å; D484-Q488 WeakPolarHBondContact O-CB 3.24Å; D484-Q488 PolarHBondContact O-N 2.72Å |
| 485 | Y | 73.2 | Confident | 74.9 | Confident | 55 Ų | 55 | 30.1 Ų | 30.1 | 22% | 0.216 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 177.2 | 178.5 | -112.7 | 0 | 0 | 0 | 111.9 | K483 R487 Q488 M489 F506 | K483-Y485 PolarHBondContact O-N 3.45Å; Y485-R487 VanDerWaalsContact C-N 3.34Å; Y485-R487 PolarHBondContact O-N 2.83Å; Y485-Q488 WeakPolarHBondContact O-CB 3.43Å; Y485-Q488 PolarHBondContact O-N 2.83Å; Y485-Q488 VanDerWaalsContact O-N 3.16Å; Y485-M489 HydrophobicContact CE1-CG 4.09Å; Y485-M489 HydrophobicContact CE2-CG 3.88Å; Y485-M489 HydrophobicContact CE2-SD 4.06Å; Y485-M489 PolarHBondContact O-N 3.36Å; Y485-M489 WeakPolarHBondContact OH-CG 3.32Å; Y485-M489 PolarHBondContact OH-SD 2.88Å; Y485-F506 HydrophobicContact CD1-CD1 4.48Å; Y485-F506 AromaticContact CD2-CD1 3.8Å; Y485-F506 HydrophobicContact CD2-CD1 3.8Å; Y485-F506 AromaticContact CD2-CE1 3.67Å; Y485-F506 HydrophobicContact CD2-CE1 3.67Å; Y485-F506 HydrophobicContact CE1-CB 3.86Å; Y485-F506 AromaticContact CE1-CD1 3.78Å; Y485-F506 HydrophobicContact CE1-CD1 3.78Å; Y485-F506 HydrophobicContact CE1-CE1 4.5Å; Y485-F506 AromaticContact CE1-CG 3.91Å; Y485-F506 HydrophobicContact CE1-CG 3.91Å; Y485-F506 AromaticContact CE2-CD1 3.04Å; Y485-F506 HydrophobicContact CE2-CD1 3.04Å; Y485-F506 HydrophobicContact CE2-CD2 4.23Å; Y485-F506 AromaticContact CE2-CE1 2.92Å; Y485-F506 HydrophobicContact CE2-CE1 2.92Å; Y485-F506 HydrophobicContact CE2-CE2 4.15Å; Y485-F506 AromaticContact CE2-CG 3.68Å; Y485-F506 HydrophobicContact CE2-CG 3.68Å; Y485-F506 AromaticContact CE2-CZ 3.49Å; Y485-F506 HydrophobicContact CE2-CZ 3.49Å; Y485-F506 VanDerWaalsContact CE2-CZ 3.49Å; Y485-F506 HydrophobicContact CG-CD1 4.5Å; Y485-F506 AromaticContact CZ-CD1 3.02Å; Y485-F506 AromaticContact CZ-CD2 3.79Å; Y485-F506 AromaticContact CZ-CE1 3.44Å; Y485-F506 VanDerWaalsContact CZ-CE1 3.44Å; Y485-F506 AromaticContact CZ-CG 3.17Å; Y485-F506 AromaticContact CZ-CZ 3.93Å; Y485-F506 VanDerWaalsContact OH-CB 3.27Å; Y485-F506 WeakPolarHBondContact OH-CB 3.36Å; Y485-F506 WeakPolarHBondContact OH-CD1 3.46Å; Y485-F506 WeakPolarHBondContact OH-CD2 3.28Å; Y485-F506 WeakPolarHBondContact OH-CE2 3.44Å; Y485-F506 WeakPolarHBondContact OH-CG 3.16Å |
| 486 | R | 77.1 | Confident | 76.4 | Confident | 97 Ų | 97 | 30.9 Ų | 30.9 | 37% | 0.366 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62 | -40 | 174.3 | -72.2 | -172.5 | -75 | 170 | -7.9 | 112.8 | L482 K483 Q488 M489 S490 | L482-R486 PolarHBondContact O-NH2 3.37Å; K483-R486 PolarHBondContact O-N 2.87Å; R486-Q488 VanDerWaalsContact C-N 3.34Å; R486-M489 PolarHBondContact O-N 2.65Å; R486-S490 PolarHBondContact O-N 2.78Å; R486-S490 PolarHBondContact O-OG 2.78Å |
| 487 | R | 81.5 | Confident | 77.2 | Confident | 60 Ų | 60 | 33.8 Ų | 33.8 | 23% | 0.226 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 173.9 | -75 | 171.8 | 175.1 | 163.6 | -4.2 | 111 | T218 K483 D484 Y485 S490 I491 | T218-R487 HydrophobicContact CG2-CB 3.71Å; K483-R487 WeakPolarHBondContact O-CB 3.5Å; K483-R487 WeakPolarHBondContact O-CG 3.46Å; K483-R487 PolarHBondContact O-N 3.48Å; D484-R487 PolarHBondContact O-N 2.78Å; D484-R487 IonicContact OD1-NH1 3.98Å; Y485-R487 VanDerWaalsContact C-N 3.34Å; Y485-R487 PolarHBondContact O-N 2.83Å; R487-S490 PolarHBondContact O-N 3.34Å; R487-I491 VanDerWaalsContact O-CG1 3.31Å; R487-I491 WeakPolarHBondContact O-CG1 3.4Å; R487-I491 PolarHBondContact O-N 2.77Å |
| 488 | Q | 85.8 | Confident | 77.6 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 176.2 | -171.8 | 64.7 | 52.7 | 0 | 0 | 111.3 | A216 L221 D484 Y485 R486 S490 I491 D492 | A216-Q488 PolarHBondContact O-NE2 3.46Å; L221-Q488 HydrophobicContact CD1-CB 3.86Å; L221-Q488 HydrophobicContact CD1-CG 4.3Å; D484-Q488 WeakPolarHBondContact O-CB 3.24Å; D484-Q488 PolarHBondContact O-N 2.72Å; Y485-Q488 WeakPolarHBondContact O-CB 3.43Å; Y485-Q488 PolarHBondContact O-N 2.83Å; Y485-Q488 VanDerWaalsContact O-N 3.16Å; R486-Q488 VanDerWaalsContact C-N 3.34Å; Q488-S490 PolarHBondContact O-N 3.26Å; Q488-I491 WeakPolarHBondContact O-CB 3.47Å; Q488-I491 PolarHBondContact O-N 2.76Å; Q488-I491 VanDerWaalsContact O-N 3.14Å; Q488-D492 PolarHBondContact NE2-OD1 3.14Å; Q488-D492 WeakPolarHBondContact O-CB 3.46Å; Q488-D492 VanDerWaalsContact O-CG 3.27Å; Q488-D492 PolarHBondContact O-N 3.4Å |
| 489 | M | 83.2 | Confident | 77.3 | Confident | 46 Ų | 46 | 36.4 Ų | 36.4 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -36.8 | 176.2 | -71.7 | -55.5 | -59.6 | 0 | 0 | 113 | Y485 R486 C493 S502 | Y485-M489 HydrophobicContact CE1-CG 4.09Å; Y485-M489 HydrophobicContact CE2-CG 3.88Å; Y485-M489 HydrophobicContact CE2-SD 4.06Å; Y485-M489 PolarHBondContact O-N 3.36Å; Y485-M489 WeakPolarHBondContact OH-CG 3.32Å; Y485-M489 PolarHBondContact OH-SD 2.88Å; R486-M489 PolarHBondContact O-N 2.65Å; M489-C493 WeakPolarHBondContact O-CB 3.45Å; M489-C493 PolarHBondContact O-N 3.5Å; M489-S502 WeakPolarHBondContact CE-O 3.36Å; M489-S502 VanDerWaalsContact SD-O 3.38Å |
| 490 | S | 86.3 | Confident | 76.8 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.6 | -40.3 | 177.7 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | D118 M122 R486 R487 Q488 L494 | D118-S490 WeakPolarHBondContact CB-OG 3.27Å; M122-S490 WeakPolarHBondContact SD-CB 3.44Å; R486-S490 PolarHBondContact O-N 2.78Å; R486-S490 PolarHBondContact O-OG 2.78Å; R487-S490 PolarHBondContact O-N 3.34Å; Q488-S490 PolarHBondContact O-N 3.26Å; S490-L494 WeakPolarHBondContact O-CB 3.25Å; S490-L494 PolarHBondContact O-N 2.78Å |
| 491 | I | 90.1 | Very high | 76 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 173.3 | -68.4 | 164 | 0 | 0 | 0 | 110.1 | M122 W160 A216 R487 Q488 C493 L494 L495 | M122-I491 HydrophobicContact CE-CB 4.47Å; M122-I491 HydrophobicContact CE-CG1 3.53Å; M122-I491 HydrophobicContact SD-CG1 4.01Å; W160-I491 HydrophobicContact CZ3-CG2 4.41Å; A216-I491 HydrophobicContact CB-CG2 3.85Å; R487-I491 VanDerWaalsContact O-CG1 3.31Å; R487-I491 WeakPolarHBondContact O-CG1 3.4Å; R487-I491 PolarHBondContact O-N 2.77Å; Q488-I491 WeakPolarHBondContact O-CB 3.47Å; Q488-I491 PolarHBondContact O-N 2.76Å; Q488-I491 VanDerWaalsContact O-N 3.14Å; I491-C493 VanDerWaalsContact C-N 3.33Å; I491-C493 PolarHBondContact O-N 3.16Å; I491-L494 PolarHBondContact O-N 2.91Å; I491-L495 HydrophobicContact CG2-CD1 3.74Å; I491-L495 HydrophobicContact CG2-CG 4.4Å; I491-L495 WeakPolarHBondContact O-CB 3.29Å; I491-L495 WeakPolarHBondContact O-CG 3.47Å; I491-L495 PolarHBondContact O-N 2.66Å |
| 492 | D | 89.9 | Confident | 75.3 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | -178.2 | -67.2 | -11.5 | 0 | 0 | 0 | 110.9 | Q488 L494 L495 G496 V497 | Q488-D492 PolarHBondContact NE2-OD1 3.14Å; Q488-D492 WeakPolarHBondContact O-CB 3.46Å; Q488-D492 VanDerWaalsContact O-CG 3.27Å; Q488-D492 PolarHBondContact O-N 3.4Å; D492-L494 PolarHBondContact O-N 2.94Å; D492-L495 PolarHBondContact O-N 3.25Å; D492-G496 PolarHBondContact O-N 3.44Å; D492-V497 HydrophobicContact CB-CB 4.15Å; D492-V497 PolarHBondContact O-N 3.14Å |
| 493 | C | 88.3 | Confident | 74.1 | Confident | 20 Ų | 20 | 51.4 Ų | 51.4 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | I115 V119 M489 I491 | I115-C493 HydrophobicContact CG2-CB 4.12Å; V119-C493 HydrophobicContact CG2-CB 4.36Å; M489-C493 WeakPolarHBondContact O-CB 3.45Å; M489-C493 PolarHBondContact O-N 3.5Å; I491-C493 VanDerWaalsContact C-N 3.33Å; I491-C493 PolarHBondContact O-N 3.16Å |
| 494 | L | 90.3 | Very high | 72.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 179 | 176.7 | 61.1 | 0 | 0 | 0 | 111.8 | M122 F123 F129 W160 S490 I491 D492 G496 | M122-L494 HydrophobicContact CE-CD2 4.27Å; F123-L494 HydrophobicContact CE2-CD1 4Å; F123-L494 HydrophobicContact CE2-CD2 4.23Å; F123-L494 HydrophobicContact CZ-CD1 3.75Å; F123-L494 HydrophobicContact CZ-CD2 3.84Å; F123-L494 HydrophobicContact CZ-CG 4.48Å; F129-L494 HydrophobicContact CE1-CD2 4.38Å; F129-L494 HydrophobicContact CZ-CD2 4.05Å; W160-L494 HydrophobicContact CE3-CD2 4.12Å; S490-L494 WeakPolarHBondContact O-CB 3.25Å; S490-L494 PolarHBondContact O-N 2.78Å; I491-L494 PolarHBondContact O-N 2.91Å; D492-L494 PolarHBondContact O-N 2.94Å; L494-G496 VanDerWaalsContact C-N 3.32Å |
| 495 | L | 92.5 | Very high | 71.3 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -84 | -5.2 | -177.9 | -63.3 | 179.9 | 0 | 0 | 0 | 113.6 | W160 V213 A216 I491 D492 V497 | W160-L495 HydrophobicContact CD2-CD2 4.25Å; W160-L495 HydrophobicContact CE3-CD2 4.01Å; W160-L495 HydrophobicContact CZ3-CD1 4.48Å; W160-L495 WeakPolarHBondContact O-CD2 3.34Å; V213-L495 HydrophobicContact CB-CD1 4.29Å; V213-L495 HydrophobicContact CB-CD2 4.07Å; V213-L495 HydrophobicContact CG1-CD2 3.88Å; A216-L495 HydrophobicContact CB-CD1 3.59Å; I491-L495 HydrophobicContact CG2-CD1 3.74Å; I491-L495 HydrophobicContact CG2-CG 4.4Å; I491-L495 WeakPolarHBondContact O-CB 3.29Å; I491-L495 WeakPolarHBondContact O-CG 3.47Å; I491-L495 PolarHBondContact O-N 2.66Å; D492-L495 PolarHBondContact O-N 3.25Å; L495-V497 VanDerWaalsContact C-N 3.33Å; L495-V497 HydrophobicContact CB-CG2 3.96Å |
| 496 | G | 88.8 | Confident | 70.2 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 26% | 0.258 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 25 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H163 D492 L494 T498 | H163-G496 WeakPolarHBondContact CD2-CA 3.42Å; H163-G496 WeakPolarHBondContact NE2-CA 3.36Å; D492-G496 PolarHBondContact O-N 3.44Å; L494-G496 VanDerWaalsContact C-N 3.32Å; G496-T498 PolarHBondContact O-N 2.94Å |
| 497 | V | 83.8 | Confident | 68.8 | Low | 67 Ų | 67 | 63.6 Ų | 63.6 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | trans | -82.1 | 102.5 | -179 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | D492 L495 S499 | D492-V497 HydrophobicContact CB-CB 4.15Å; D492-V497 PolarHBondContact O-N 3.14Å; L495-V497 VanDerWaalsContact C-N 3.33Å; L495-V497 HydrophobicContact CB-CG2 3.96Å; V497-S499 PolarHBondContact O-N 2.92Å | ||
| 498 | T | 67.6 | Low | 67.2 | Low | 126 Ų | 126 | 66.3 Ų | 66.3 | 77% | 0.773 | 35% | 0.348 | S | S | * | . | trans | -93.7 | 67 | 171.8 | 56.5 | 0 | 0 | 0 | 0 | 109.6 | G496 | G496-T498 PolarHBondContact O-N 2.94Š| ||
| 499 | S | 53.4 | Low | 65.6 | Low | 28 Ų | 28 | 70.5 Ų | 70.5 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | trans | -76.8 | 140.7 | 176.7 | 72 | 0 | 0 | 0 | 0 | 110.1 | V497 E501 S502 T503 | V497-S499 PolarHBondContact O-N 2.92Å; S499-E501 PolarHBondContact O-N 2.71Å; S499-S502 PolarHBondContact N-OG 3.1Å; S499-S502 PolarHBondContact O-N 3.17Å; S499-S502 PolarHBondContact O-OG 2.91Å; S499-S502 WeakPolarHBondContact OG-CB 3.43Å; S499-S502 PolarHBondContact OG-N 3Å; S499-S502 PolarHBondContact OG-OG 2.88Å; S499-T503 PolarHBondContact O-OG1 2.7Å | ||
| 500 | K | 49 | Very low | 64 | Low | 210 Ų | 210 | 72.7 Ų | 72.7 | 91% | 0.913 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.8 | -31.6 | 165.8 | -74.1 | -175.7 | 178.1 | -179.5 | 0 | 110.6 | S502 | K500-S502 VanDerWaalsContact C-N 3.26Å; K500-S502 PolarHBondContact O-N 2.93Å |
| 501 | E | 47.5 | Very low | 62.6 | Low | 142 Ų | 142 | 82.2 Ų | 82.2 | 66% | 0.664 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.3 | -27.7 | 172.4 | -69.5 | -178.1 | 168.7 | 0 | 0 | 113.5 | K222 S499 F506 | K222-E501 IonicContact NZ-OE2 3.36Å; S499-E501 PolarHBondContact O-N 2.71Å; E501-F506 WeakPolarHBondContact O-CE2 3.4Å; E501-F506 WeakPolarHBondContact O-CZ 3.32Å |
| 502 | S | 46.9 | Very low | 61 | Low | 8 Ų | 8 | 87.7 Ų | 87.7 | 6% | 0.056 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -102.8 | -5.3 | -171.4 | 62.2 | 0 | 0 | 0 | 0 | 115.1 | M489 S499 K500 F506 | M489-S502 WeakPolarHBondContact CE-O 3.36Å; M489-S502 VanDerWaalsContact SD-O 3.38Å; S499-S502 PolarHBondContact N-OG 3.1Å; S499-S502 PolarHBondContact O-N 3.17Å; S499-S502 PolarHBondContact O-OG 2.91Å; S499-S502 WeakPolarHBondContact OG-CB 3.43Å; S499-S502 PolarHBondContact OG-N 3Å; S499-S502 PolarHBondContact OG-OG 2.88Å; K500-S502 VanDerWaalsContact C-N 3.26Å; K500-S502 PolarHBondContact O-N 2.93Å; S502-F506 VanDerWaalsContact CA-CE2 3.45Å; S502-F506 VanDerWaalsContact O-CE2 3.24Å; S502-F506 WeakPolarHBondContact O-CE2 3.4Å |
| 503 | T | 39.3 | Very low | 59.5 | Low | 76 Ų | 76 | 91.7 Ų | 91.7 | 47% | 0.466 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -105.2 | -30.6 | -163.5 | -34.3 | 0 | 0 | 0 | 0 | 116.8 | S499 | S499-T503 PolarHBondContact O-OG1 2.7Å |
| 504 | L | 40.7 | Very low | 58 | Low | 155 Ų | 155 | 94.8 Ų | 94.8 | 81% | 0.812 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -140.1 | -13.7 | -160 | -76.6 | 165.5 | 0 | 0 | 0 | 121.8 | ||
| 505 | D | 42.4 | Very low | 56.6 | Low | 110 Ų | 110 | 101.7 Ų | 101.7 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -104.2 | 2.6 | 179.4 | -86.6 | -37 | 0 | 0 | 0 | 116 | K507 N508 E509 | D505-K507 PolarHBondContact O-N 2.83Å; D505-N508 PolarHBondContact O-N 3.25Å; D505-N508 VanDerWaalsContact O-N 3.16Å; D505-E509 PolarHBondContact O-N 2.84Å; D505-E509 VanDerWaalsContact O-N 3.15Å |
| 506 | F | 50.6 | Low | 54.9 | Low | 43 Ų | 43 | 105.6 Ų | 105.6 | 19% | 0.189 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -65.8 | -28.4 | -167.1 | -71.7 | -76.2 | 0 | 0 | 0 | 116.7 | Y485 E501 S502 N508 E510 | Y485-F506 HydrophobicContact CD1-CD1 4.48Å; Y485-F506 AromaticContact CD2-CD1 3.8Å; Y485-F506 HydrophobicContact CD2-CD1 3.8Å; Y485-F506 AromaticContact CD2-CE1 3.67Å; Y485-F506 HydrophobicContact CD2-CE1 3.67Å; Y485-F506 HydrophobicContact CE1-CB 3.86Å; Y485-F506 AromaticContact CE1-CD1 3.78Å; Y485-F506 HydrophobicContact CE1-CD1 3.78Å; Y485-F506 HydrophobicContact CE1-CE1 4.5Å; Y485-F506 AromaticContact CE1-CG 3.91Å; Y485-F506 HydrophobicContact CE1-CG 3.91Å; Y485-F506 AromaticContact CE2-CD1 3.04Å; Y485-F506 HydrophobicContact CE2-CD1 3.04Å; Y485-F506 HydrophobicContact CE2-CD2 4.23Å; Y485-F506 AromaticContact CE2-CE1 2.92Å; Y485-F506 HydrophobicContact CE2-CE1 2.92Å; Y485-F506 HydrophobicContact CE2-CE2 4.15Å; Y485-F506 AromaticContact CE2-CG 3.68Å; Y485-F506 HydrophobicContact CE2-CG 3.68Å; Y485-F506 AromaticContact CE2-CZ 3.49Å; Y485-F506 HydrophobicContact CE2-CZ 3.49Å; Y485-F506 VanDerWaalsContact CE2-CZ 3.49Å; Y485-F506 HydrophobicContact CG-CD1 4.5Å; Y485-F506 AromaticContact CZ-CD1 3.02Å; Y485-F506 AromaticContact CZ-CD2 3.79Å; Y485-F506 AromaticContact CZ-CE1 3.44Å; Y485-F506 VanDerWaalsContact CZ-CE1 3.44Å; Y485-F506 AromaticContact CZ-CG 3.17Å; Y485-F506 AromaticContact CZ-CZ 3.93Å; Y485-F506 VanDerWaalsContact OH-CB 3.27Å; Y485-F506 WeakPolarHBondContact OH-CB 3.36Å; Y485-F506 WeakPolarHBondContact OH-CD1 3.46Å; Y485-F506 WeakPolarHBondContact OH-CD2 3.28Å; Y485-F506 WeakPolarHBondContact OH-CE2 3.44Å; Y485-F506 WeakPolarHBondContact OH-CG 3.16Å; E501-F506 WeakPolarHBondContact O-CE2 3.4Å; E501-F506 WeakPolarHBondContact O-CZ 3.32Å; S502-F506 VanDerWaalsContact CA-CE2 3.45Å; S502-F506 VanDerWaalsContact O-CE2 3.24Å; S502-F506 WeakPolarHBondContact O-CE2 3.4Å; F506-N508 VanDerWaalsContact C-N 3.28Å; F506-N508 PolarHBondContact O-N 3.05Å; F506-E510 WeakPolarHBondContact O-CA 3.45Å; F506-E510 WeakPolarHBondContact O-CB 3.49Å; F506-E510 PolarHBondContact O-N 3.25Å |
| 507 | K | 47.9 | Very low | 53.5 | Low | 162 Ų | 162 | 105.7 Ų | 105.7 | 70% | 0.704 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.2 | -33.2 | 178.7 | -78.7 | -172.8 | 175.5 | -178.5 | 0 | 112.3 | D505 R511 | D505-K507 PolarHBondContact O-N 2.83Å; K507-R511 PolarHBondContact O-N 3.07Å |
| 508 | N | 46.9 | Very low | 52.3 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 62% | 0.62 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -81.5 | -46 | -179.9 | -71.3 | -14.1 | 0 | 0 | 0 | 109.8 | D505 F506 R511 E512 | D505-N508 PolarHBondContact O-N 3.25Å; D505-N508 VanDerWaalsContact O-N 3.16Å; F506-N508 VanDerWaalsContact C-N 3.28Å; F506-N508 PolarHBondContact O-N 3.05Å; N508-R511 PolarHBondContact O-N 3.43Å; N508-E512 PolarHBondContact O-N 3.32Å |
| 509 | E | 51.6 | Low | 52 | Low | 97 Ų | 97 | 105.2 Ų | 105.2 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -53.6 | 174.3 | -70.2 | -175 | 162.6 | 0 | 0 | 110.7 | D505 R511 E512 E513 | D505-E509 PolarHBondContact O-N 2.84Å; D505-E509 VanDerWaalsContact O-N 3.15Å; E509-R511 VanDerWaalsContact C-N 3.26Å; E509-R511 PolarHBondContact O-N 3.06Å; E509-R511 VanDerWaalsContact O-N 3.13Å; E509-E512 PolarHBondContact O-N 3.03Å; E509-E512 VanDerWaalsContact O-N 3.09Å; E509-E513 WeakPolarHBondContact O-CB 3.31Å; E509-E513 WeakPolarHBondContact O-CG 3.4Å; E509-E513 PolarHBondContact O-N 3.36Å |
| 510 | E | 51 | Low | 52.3 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.8 | -37.5 | -179.6 | -173.8 | 179.1 | -155.5 | 0 | 0 | 112.5 | F506 L514 | F506-E510 WeakPolarHBondContact O-CA 3.45Å; F506-E510 WeakPolarHBondContact O-CB 3.49Å; F506-E510 PolarHBondContact O-N 3.25Å; E510-L514 WeakPolarHBondContact O-CB 3.04Å; E510-L514 PolarHBondContact O-N 2.97Å |
| 511 | R | 55.6 | Low | 52.9 | Low | 202 Ų | 202 | 98 Ų | 98 | 76% | 0.762 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70 | -46.2 | 176.6 | -105.9 | -174.7 | -178.7 | -111.8 | 0.3 | 112.7 | K507 N508 E509 E513 K515 | K507-R511 PolarHBondContact O-N 3.07Å; N508-R511 PolarHBondContact O-N 3.43Å; E509-R511 VanDerWaalsContact C-N 3.26Å; E509-R511 PolarHBondContact O-N 3.06Å; E509-R511 VanDerWaalsContact O-N 3.13Å; R511-E513 VanDerWaalsContact C-N 3.29Å; R511-K515 WeakPolarHBondContact O-CB 3.5Å; R511-K515 PolarHBondContact O-N 2.98Å |
| 512 | E | 57.2 | Low | 53.5 | Low | 124 Ų | 124 | 94.7 Ų | 94.7 | 58% | 0.579 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.4 | -38 | 175.6 | -76.3 | -157 | 165.4 | 0 | 0 | 111.6 | N508 E509 K515 K516 | N508-E512 PolarHBondContact O-N 3.32Å; E509-E512 PolarHBondContact O-N 3.03Å; E509-E512 VanDerWaalsContact O-N 3.09Å; E512-K515 PolarHBondContact O-N 3.46Å; E512-K516 WeakPolarHBondContact O-CG 3.41Å; E512-K516 PolarHBondContact O-N 3.22Å; E512-K516 IonicContact OE2-NZ 2.8Å |
| 513 | E | 57.4 | Low | 54.2 | Low | 95 Ų | 95 | 99.3 Ų | 99.3 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 179.1 | -70.9 | -166.3 | 153.1 | 0 | 0 | 111.2 | Y266 E509 R511 K515 K516 W517 | Y266-E513 HydrophobicContact CE1-CB 4.34Å; Y266-E513 VanDerWaalsContact CE1-O 3.28Å; Y266-E513 WeakPolarHBondContact CE1-O 3.23Å; Y266-E513 WeakPolarHBondContact OH-CA 3.39Å; Y266-E513 WeakPolarHBondContact OH-CB 3.32Å; Y266-E513 WeakPolarHBondContact OH-CG 3.46Å; E509-E513 WeakPolarHBondContact O-CB 3.31Å; E509-E513 WeakPolarHBondContact O-CG 3.4Å; E509-E513 PolarHBondContact O-N 3.36Å; R511-E513 VanDerWaalsContact C-N 3.29Å; E513-K515 VanDerWaalsContact C-N 3.26Å; E513-K515 PolarHBondContact O-N 3.12Å; E513-K516 PolarHBondContact O-N 2.77Å; E513-W517 WeakPolarHBondContact O-CB 3.21Å; E513-W517 PolarHBondContact O-N 3.31Å |
| 514 | L | 57.2 | Low | 55.3 | Low | 85 Ų | 85 | 97.1 Ų | 97.1 | 45% | 0.445 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 174.7 | -171 | 67.8 | 0 | 0 | 0 | 111.3 | L482 E510 W517 T518 | L482-L514 HydrophobicContact CD2-CD1 4.23Å; E510-L514 WeakPolarHBondContact O-CB 3.04Å; E510-L514 PolarHBondContact O-N 2.97Å; L514-W517 HydrophobicContact CD1-CE3 4.24Å; L514-T518 WeakPolarHBondContact O-CB 3.28Å; L514-T518 PolarHBondContact O-N 3.12Å; L514-T518 PolarHBondContact O-OG1 3.27Å |
| 515 | K | 60.7 | Low | 56.1 | Low | 144 Ų | 144 | 91 Ų | 91 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.4 | -51.3 | 175.4 | -168.1 | 179.9 | 178.6 | -173.8 | 0 | 111.5 | R511 E512 E513 W517 T518 D519 | R511-K515 WeakPolarHBondContact O-CB 3.5Å; R511-K515 PolarHBondContact O-N 2.98Å; E512-K515 PolarHBondContact O-N 3.46Å; E513-K515 VanDerWaalsContact C-N 3.26Å; E513-K515 PolarHBondContact O-N 3.12Å; K515-W517 VanDerWaalsContact C-N 3.29Å; K515-W517 PolarHBondContact O-N 2.97Å; K515-T518 WeakPolarHBondContact O-CA 3.37Å; K515-T518 WeakPolarHBondContact O-CB 3.13Å; K515-T518 PolarHBondContact O-N 2.91Å; K515-D519 PolarHBondContact O-N 3.01Å |
| 516 | K | 58.3 | Low | 57 | Low | 110 Ų | 110 | 89.6 Ų | 89.6 | 48% | 0.478 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.8 | -39.6 | 176.9 | -74 | 172.2 | -176.3 | 161.3 | 0 | 112.2 | Y266 E512 E513 D519 C520 | Y266-K516 HydrophobicContact CD2-CB 4.11Å; Y266-K516 HydrophobicContact CE2-CB 3.55Å; Y266-K516 HydrophobicContact CE2-CD 4.1Å; Y266-K516 HydrophobicContact CE2-CG 4.45Å; E512-K516 WeakPolarHBondContact O-CG 3.41Å; E512-K516 PolarHBondContact O-N 3.22Å; E512-K516 IonicContact OE2-NZ 2.8Å; E513-K516 PolarHBondContact O-N 2.77Å; K516-D519 PolarHBondContact O-N 3.49Å; K516-C520 PolarHBondContact O-N 3.04Å; K516-C520 PolarHBondContact O-SG 3.38Å |
| 517 | W | 57.5 | Low | 57.5 | Low | 28 Ų | 28 | 90.5 Ų | 90.5 | 11% | 0.106 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 172.7 | 179.4 | 75.9 | 0 | 0 | 0 | 111.6 | Y266 H481 E513 L514 K515 D519 C520 K521 M525 | Y266-W517 HydrophobicContact CD1-CB 3.57Å; Y266-W517 AromaticContact CD1-CD1 4Å; Y266-W517 HydrophobicContact CD1-CG 4.21Å; Y266-W517 HydrophobicContact CE1-CB 3.86Å; Y266-W517 HydrophobicContact CG-CB 4.41Å; H481-W517 HydrophobicContact CB-CG 4.48Å; H481-W517 AromaticContact CD2-CD1 3.41Å; H481-W517 VanDerWaalsContact CD2-CD1 3.41Å; H481-W517 AromaticContact CD2-NE1 3.92Å; H481-W517 AromaticContact CG-CD1 3.58Å; H481-W517 AromaticContact CG-NE1 3.61Å; H481-W517 AromaticContact ND1-NE1 3.89Å; H481-W517 AromaticContact NE2-CD1 3.88Å; E513-W517 WeakPolarHBondContact O-CB 3.21Å; E513-W517 PolarHBondContact O-N 3.31Å; L514-W517 HydrophobicContact CD1-CE3 4.24Å; K515-W517 VanDerWaalsContact C-N 3.29Å; K515-W517 PolarHBondContact O-N 2.97Å; W517-D519 PolarHBondContact O-N 2.75Å; W517-C520 PolarHBondContact O-N 3.46Å; W517-C520 VanDerWaalsContact O-N 3.16Å; W517-K521 HydrophobicContact CD2-CB 4.16Å; W517-K521 HydrophobicContact CE3-CD 4.32Å; W517-K521 HydrophobicContact CH2-CB 4.42Å; W517-K521 HydrophobicContact CH2-CD 4Å; W517-K521 HydrophobicContact CZ2-CB 3.99Å; W517-K521 HydrophobicContact CZ2-CD 4.42Å; W517-K521 HydrophobicContact CZ3-CD 3.94Å; W517-K521 WeakPolarHBondContact O-CA 3.34Å; W517-K521 VanDerWaalsContact O-CB 3.24Å; W517-K521 WeakPolarHBondContact O-CB 3.35Å; W517-K521 PolarHBondContact O-N 2.83Å; W517-M525 HydrophobicContact CH2-CE 4.31Å; W517-M525 HydrophobicContact CZ2-CE 3.95Å |
| 518 | T | 60.2 | Low | 58 | Low | 61 Ų | 61 | 83.8 Ų | 83.8 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.3 | -34.7 | 179 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | L514 K515 | L514-T518 WeakPolarHBondContact O-CB 3.28Å; L514-T518 PolarHBondContact O-N 3.12Å; L514-T518 PolarHBondContact O-OG1 3.27Å; K515-T518 WeakPolarHBondContact O-CA 3.37Å; K515-T518 WeakPolarHBondContact O-CB 3.13Å; K515-T518 PolarHBondContact O-N 2.91Å |
| 519 | D | 60.6 | Low | 58.6 | Low | 121 Ų | 121 | 79.9 Ų | 79.9 | 65% | 0.647 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.4 | -30.2 | 179.9 | -61.7 | -22.3 | 0 | 0 | 0 | 113.3 | K515 K516 W517 | K515-D519 PolarHBondContact O-N 3.01Å; K516-D519 PolarHBondContact O-N 3.49Å; W517-D519 PolarHBondContact O-N 2.75Å |
| 520 | C | 60.8 | Low | 59.2 | Low | 38 Ų | 38 | 78.8 Ų | 78.8 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -110 | -8.7 | -176.7 | 70.8 | 0 | 0 | 0 | 0 | 115 | Y266 K516 W517 E522 E523 E524 | Y266-C520 WeakPolarHBondContact CB-SG 3.36Å; K516-C520 PolarHBondContact O-N 3.04Å; K516-C520 PolarHBondContact O-SG 3.38Å; W517-C520 PolarHBondContact O-N 3.46Å; W517-C520 VanDerWaalsContact O-N 3.16Å; C520-E522 PolarHBondContact O-N 2.8Å; C520-E523 PolarHBondContact O-N 2.73Å; C520-E524 WeakPolarHBondContact O-CG 3.46Å; C520-E524 PolarHBondContact O-N 2.67Å |
| 521 | K | 61.4 | Low | 59.6 | Low | 49 Ų | 49 | 75.5 Ų | 75.5 | 21% | 0.213 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.4 | -32.8 | -172.3 | 64.7 | -177.8 | 176.9 | 176.9 | 0 | 113.1 | W517 M525 | W517-K521 HydrophobicContact CD2-CB 4.16Å; W517-K521 HydrophobicContact CE3-CD 4.32Å; W517-K521 HydrophobicContact CH2-CB 4.42Å; W517-K521 HydrophobicContact CH2-CD 4Å; W517-K521 HydrophobicContact CZ2-CB 3.99Å; W517-K521 HydrophobicContact CZ2-CD 4.42Å; W517-K521 HydrophobicContact CZ3-CD 3.94Å; W517-K521 WeakPolarHBondContact O-CA 3.34Å; W517-K521 VanDerWaalsContact O-CB 3.24Å; W517-K521 WeakPolarHBondContact O-CB 3.35Å; W517-K521 PolarHBondContact O-N 2.83Å; K521-M525 WeakPolarHBondContact O-CB 3.39Å; K521-M525 WeakPolarHBondContact O-CG 3.11Å; K521-M525 PolarHBondContact O-N 3.25Å |
| 522 | E | 58.6 | Low | 59.8 | Low | 73 Ų | 73 | 66.6 Ų | 66.6 | 34% | 0.341 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.2 | -50.9 | -172.4 | -57 | -171.5 | 172.4 | 0 | 0 | 112.1 | C520 E524 M525 R526 V652 V653 | C520-E522 PolarHBondContact O-N 2.8Å; E522-E524 VanDerWaalsContact C-N 3.3Å; E522-E524 PolarHBondContact O-N 3.39Å; E522-M525 PolarHBondContact O-N 2.83Å; E522-R526 WeakPolarHBondContact O-CB 3.39Å; E522-R526 PolarHBondContact O-N 2.99Å; E522-V652 WeakPolarHBondContact OE2-CG1 3.42Å; E522-V653 HydrophobicContact CB-CG2 4.45Å; E522-V653 HydrophobicContact CG-CB 4.06Å; E522-V653 HydrophobicContact CG-CG2 4.29Å |
| 523 | E | 62.6 | Low | 59.9 | Low | 105 Ų | 105 | 62.5 Ų | 62.5 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 178.8 | -174.5 | 57 | -148.5 | 0 | 0 | 111.1 | C520 R526 Q527 | C520-E523 PolarHBondContact O-N 2.73Å; E523-R526 WeakPolarHBondContact O-CB 3.43Å; E523-R526 PolarHBondContact O-N 3.19Å; E523-Q527 PolarHBondContact O-N 2.88Å |
| 524 | E | 61.3 | Low | 60.1 | Low | 29 Ų | 29 | 65.5 Ų | 65.5 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.4 | -37.7 | 179.8 | -58.5 | -59.8 | 170.6 | 0 | 0 | 112 | K267 Y268 Y477 C520 E522 R526 Q527 M528 | K267-E524 VanDerWaalsContact CA-CD 3.45Å; K267-E524 WeakPolarHBondContact CA-OE1 3.45Å; K267-E524 WeakPolarHBondContact CG-OE1 3.48Å; Y268-E524 VanDerWaalsContact CB-OE2 3.27Å; Y268-E524 WeakPolarHBondContact CB-OE2 3.36Å; Y268-E524 PolarHBondContact N-OE2 3.41Å; Y477-E524 HydrophobicContact CE1-CB 4.39Å; Y477-E524 HydrophobicContact CE2-CB 4.44Å; Y477-E524 WeakPolarHBondContact OH-CB 3.38Å; C520-E524 WeakPolarHBondContact O-CG 3.46Å; C520-E524 PolarHBondContact O-N 2.67Å; E522-E524 VanDerWaalsContact C-N 3.3Å; E522-E524 PolarHBondContact O-N 3.39Å; E524-R526 VanDerWaalsContact C-N 3.32Å; E524-Q527 PolarHBondContact O-N 2.98Å; E524-M528 VanDerWaalsContact O-CB 3.29Å; E524-M528 WeakPolarHBondContact O-CB 3.36Å; E524-M528 PolarHBondContact O-N 2.95Å |
| 525 | M | 58.4 | Low | 60.1 | Low | 27 Ų | 27 | 63.9 Ų | 63.9 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 169.2 | -76.8 | -171.2 | -173.9 | 0 | 0 | 111.3 | W517 K521 E522 M528 V529 F648 V653 | W517-M525 HydrophobicContact CH2-CE 4.31Å; W517-M525 HydrophobicContact CZ2-CE 3.95Å; K521-M525 WeakPolarHBondContact O-CB 3.39Å; K521-M525 WeakPolarHBondContact O-CG 3.11Å; K521-M525 PolarHBondContact O-N 3.25Å; E522-M525 PolarHBondContact O-N 2.83Å; M525-M528 HydrophobicContact CB-CE 4.44Å; M525-M528 HydrophobicContact CG-CE 4.34Å; M525-M528 WeakPolarHBondContact O-CB 3.45Å; M525-M528 PolarHBondContact O-N 2.91Å; M525-V529 VanDerWaalsContact O-CG2 3.3Å; M525-V529 WeakPolarHBondContact O-CG2 3.43Å; M525-V529 PolarHBondContact O-N 3.44Å; M525-F648 HydrophobicContact CB-CE1 3.9Å; M525-F648 HydrophobicContact CB-CZ 4.34Å; M525-F648 HydrophobicContact SD-CE1 4.13Å; M525-F648 HydrophobicContact SD-CZ 3.8Å; M525-V653 HydrophobicContact CB-CG2 4.43Å; M525-V653 HydrophobicContact SD-CG2 3.88Å |
| 526 | R | 60.7 | Low | 59.8 | Low | 81 Ų | 81 | 57.5 Ų | 57.5 | 31% | 0.306 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 174.6 | -175.2 | -175.6 | -170.2 | 149 | 6.8 | 111.6 | E522 E523 E524 M528 V529 K530 N650 G651 | E522-R526 WeakPolarHBondContact O-CB 3.39Å; E522-R526 PolarHBondContact O-N 2.99Å; E523-R526 WeakPolarHBondContact O-CB 3.43Å; E523-R526 PolarHBondContact O-N 3.19Å; E524-R526 VanDerWaalsContact C-N 3.32Å; R526-M528 VanDerWaalsContact C-N 3.33Å; R526-V529 PolarHBondContact O-N 2.87Å; R526-K530 WeakPolarHBondContact O-CG 3.43Å; R526-K530 PolarHBondContact O-N 2.78Å; R526-N650 PolarHBondContact NH1-O 3.29Å; R526-N650 PolarHBondContact NH2-O 3.13Å; R526-G651 WeakPolarHBondContact CB-O 3.25Å |
| 527 | Q | 60.8 | Low | 60.1 | Low | 61 Ų | 61 | 52.5 Ų | 52.5 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 177.9 | -172.4 | 56.2 | 45.9 | 0 | 0 | 111.5 | Y268 E523 E524 K530 D531 | Y268-Q527 HydrophobicContact CD1-CG 4.15Å; E523-Q527 PolarHBondContact O-N 2.88Å; E524-Q527 PolarHBondContact O-N 2.98Å; Q527-K530 PolarHBondContact O-N 2.95Å; Q527-D531 PolarHBondContact NE2-OD1 3.49Å; Q527-D531 VanDerWaalsContact NE2-OD1 3.09Å; Q527-D531 PolarHBondContact O-N 3.01Å |
| 528 | M | 59.2 | Low | 60.2 | Low | 21 Ų | 21 | 53 Ų | 53 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 173.8 | 179.7 | -167.7 | 78.2 | 0 | 0 | 111.9 | Y268 A474 Y477 E524 M525 R526 D531 C532 | Y268-M528 HydrophobicContact CD2-CB 3.78Å; Y268-M528 HydrophobicContact CD2-CG 4.1Å; Y268-M528 HydrophobicContact CE2-CB 3.79Å; Y268-M528 HydrophobicContact CE2-CG 3.72Å; Y268-M528 HydrophobicContact CG-CB 4.36Å; A474-M528 WeakPolarHBondContact CA-SD 3.15Å; A474-M528 HydrophobicContact CB-CE 3.71Å; A474-M528 HydrophobicContact CB-CG 3.63Å; A474-M528 HydrophobicContact CB-SD 3.36Å; A474-M528 WeakPolarHBondContact CB-SD 3.5Å; Y477-M528 HydrophobicContact CD1-SD 3.75Å; Y477-M528 HydrophobicContact CG-SD 4.28Å; E524-M528 VanDerWaalsContact O-CB 3.29Å; E524-M528 WeakPolarHBondContact O-CB 3.36Å; E524-M528 PolarHBondContact O-N 2.95Å; M525-M528 HydrophobicContact CB-CE 4.44Å; M525-M528 HydrophobicContact CG-CE 4.34Å; M525-M528 WeakPolarHBondContact O-CB 3.45Å; M525-M528 PolarHBondContact O-N 2.91Å; R526-M528 VanDerWaalsContact C-N 3.33Å; M528-D531 PolarHBondContact O-N 2.82Å; M528-C532 PolarHBondContact O-N 3.03Å; M528-C532 PolarHBondContact O-SG 3.26Å |
| 529 | V | 60.2 | Low | 60.4 | Low | 35 Ų | 35 | 57.5 Ų | 57.5 | 21% | 0.212 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | M525 R526 D531 C532 E533 F648 | M525-V529 VanDerWaalsContact O-CG2 3.3Å; M525-V529 WeakPolarHBondContact O-CG2 3.43Å; M525-V529 PolarHBondContact O-N 3.44Å; R526-V529 PolarHBondContact O-N 2.87Å; V529-D531 VanDerWaalsContact C-N 3.3Å; V529-D531 PolarHBondContact O-N 3.48Å; V529-C532 CarbonylContact O-C 3.55Å; V529-C532 WeakPolarHBondContact O-CA 3.47Å; V529-C532 WeakPolarHBondContact O-CB 3.09Å; V529-C532 PolarHBondContact O-N 3.39Å; V529-E533 HydrophobicContact CG1-CG 4.33Å; V529-E533 WeakPolarHBondContact O-CG 3.27Å; V529-E533 PolarHBondContact O-N 2.78Å; V529-F648 HydrophobicContact CG2-CE1 4.4Å |
| 530 | K | 62.7 | Low | 60.7 | Low | 74 Ų | 74 | 58.1 Ų | 58.1 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.1 | -40.7 | 175.6 | -74.5 | 177.1 | 179.1 | 173 | 0 | 112.9 | R526 Q527 C532 E533 R534 | R526-K530 WeakPolarHBondContact O-CG 3.43Å; R526-K530 PolarHBondContact O-N 2.78Å; Q527-K530 PolarHBondContact O-N 2.95Å; K530-C532 VanDerWaalsContact C-N 3.34Å; K530-E533 PolarHBondContact O-N 3.29Å; K530-R534 WeakPolarHBondContact O-CG 3.18Å; K530-R534 PolarHBondContact O-N 3.08Å |
| 531 | D | 61.1 | Low | 61.2 | Low | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -34.7 | 175.6 | -86.2 | 22.2 | 0 | 0 | 0 | 111.5 | Y268 R269 Q527 M528 V529 R534 L535 | Y268-D531 HydrophobicContact CE1-CB 4.23Å; Y268-D531 WeakPolarHBondContact CE1-OD2 3.41Å; R269-D531 IonicContact CZ-OD2 2.73Å; R269-D531 IonicContact NH1-OD2 3.24Å; R269-D531 PolarHBondContact NH1-OD2 3.26Å; R269-D531 VanDerWaalsContact NH1-OD2 3.12Å; Q527-D531 PolarHBondContact NE2-OD1 3.49Å; Q527-D531 VanDerWaalsContact NE2-OD1 3.09Å; Q527-D531 PolarHBondContact O-N 3.01Å; M528-D531 PolarHBondContact O-N 2.82Å; V529-D531 VanDerWaalsContact C-N 3.3Å; V529-D531 PolarHBondContact O-N 3.48Å; D531-R534 IonicContact OD1-NH1 2.75Å; D531-L535 VanDerWaalsContact O-CG 3.26Å; D531-L535 WeakPolarHBondContact O-CG 3.43Å; D531-L535 PolarHBondContact O-N 2.87Å; D531-L535 VanDerWaalsContact O-N 3.11Å |
| 532 | C | 58.9 | Low | 62 | Low | 14 Ų | 14 | 58.8 Ų | 58.8 | 10% | 0.095 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -43.5 | 171.7 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | G470 M528 V529 K530 R534 L535 I536 | G470-C532 PolarHBondContact O-SG 3.07Å; M528-C532 PolarHBondContact O-N 3.03Å; M528-C532 PolarHBondContact O-SG 3.26Å; V529-C532 CarbonylContact O-C 3.55Å; V529-C532 WeakPolarHBondContact O-CA 3.47Å; V529-C532 WeakPolarHBondContact O-CB 3.09Å; V529-C532 PolarHBondContact O-N 3.39Å; K530-C532 VanDerWaalsContact C-N 3.34Å; C532-R534 VanDerWaalsContact C-N 3.35Å; C532-R534 PolarHBondContact O-N 3.15Å; C532-L535 CarbonylContact O-C 3.56Å; C532-L535 WeakPolarHBondContact O-CA 3.46Å; C532-L535 WeakPolarHBondContact O-CB 3.42Å; C532-L535 PolarHBondContact O-N 3.06Å; C532-I536 HydrophobicContact CB-CD1 4.27Å; C532-I536 WeakPolarHBondContact O-CB 3.49Å; C532-I536 WeakPolarHBondContact O-CD1 3.17Å; C532-I536 WeakPolarHBondContact O-CG1 3.41Å; C532-I536 PolarHBondContact O-N 3.31Å |
| 533 | E | 60.4 | Low | 62.9 | Low | 39 Ų | 39 | 57.3 Ų | 57.3 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -48 | 175.9 | -72.9 | 173.5 | 156.4 | 0 | 0 | 110.8 | V529 K530 L535 I536 V537 V543 S546 | V529-E533 HydrophobicContact CG1-CG 4.33Å; V529-E533 WeakPolarHBondContact O-CG 3.27Å; V529-E533 PolarHBondContact O-N 2.78Å; K530-E533 PolarHBondContact O-N 3.29Å; E533-L535 PolarHBondContact O-N 2.97Å; E533-I536 PolarHBondContact O-N 3.12Å; E533-V537 WeakPolarHBondContact O-CB 2.96Å; E533-V537 PolarHBondContact O-N 3.32Å; E533-V543 HydrophobicContact CB-CG2 4.48Å; E533-S546 WeakPolarHBondContact OE1-CB 3.25Å; E533-S546 PolarHBondContact OE1-OG 2.91Å |
| 534 | R | 61.2 | Low | 63.8 | Low | 158 Ų | 158 | 54.3 Ų | 54.3 | 60% | 0.596 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.8 | -27.6 | 174.8 | -71.8 | 170.6 | 177.4 | 173 | -4.9 | 113.8 | K530 D531 C532 | K530-R534 WeakPolarHBondContact O-CG 3.18Å; K530-R534 PolarHBondContact O-N 3.08Å; D531-R534 IonicContact OD1-NH1 2.75Å; C532-R534 VanDerWaalsContact C-N 3.35Å; C532-R534 PolarHBondContact O-N 3.15Å |
| 535 | L | 56.6 | Low | 64.7 | Low | 50 Ų | 50 | 53.5 Ų | 53.5 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -81.4 | -31.1 | 174.4 | -72.7 | 167.9 | 0 | 0 | 0 | 111.5 | M466 D531 C532 E533 | M466-L535 WeakPolarHBondContact CB-O 3.12Å; M466-L535 WeakPolarHBondContact CE-O 3.32Å; D531-L535 VanDerWaalsContact O-CG 3.26Å; D531-L535 WeakPolarHBondContact O-CG 3.43Å; D531-L535 PolarHBondContact O-N 2.87Å; D531-L535 VanDerWaalsContact O-N 3.11Å; C532-L535 CarbonylContact O-C 3.56Å; C532-L535 WeakPolarHBondContact O-CA 3.46Å; C532-L535 WeakPolarHBondContact O-CB 3.42Å; C532-L535 PolarHBondContact O-N 3.06Å; E533-L535 PolarHBondContact O-N 2.97Å |
| 536 | I | 55.4 | Low | 65.5 | Low | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -87.4 | -43.5 | -173.4 | -70 | 162 | 0 | 0 | 0 | 111.9 | L463 V467 C532 E533 I572 Y579 | L463-I536 WeakPolarHBondContact CD1-O 3.27Å; V467-I536 HydrophobicContact CB-CG1 3.81Å; V467-I536 HydrophobicContact CB-CG2 4.46Å; V467-I536 HydrophobicContact CG1-CD1 3.9Å; V467-I536 HydrophobicContact CG1-CG1 3.74Å; V467-I536 HydrophobicContact CG1-CG2 4.5Å; V467-I536 HydrophobicContact CG2-CB 3.88Å; V467-I536 HydrophobicContact CG2-CG1 3.63Å; V467-I536 HydrophobicContact CG2-CG2 3.46Å; V467-I536 VanDerWaalsContact CG2-CG2 3.46Å; C532-I536 HydrophobicContact CB-CD1 4.27Å; C532-I536 WeakPolarHBondContact O-CB 3.49Å; C532-I536 WeakPolarHBondContact O-CD1 3.17Å; C532-I536 WeakPolarHBondContact O-CG1 3.41Å; C532-I536 PolarHBondContact O-N 3.31Å; E533-I536 PolarHBondContact O-N 3.12Å; I536-I572 HydrophobicContact CB-CD1 4.04Å; I536-I572 HydrophobicContact CD1-CD1 3.35Å; I536-I572 HydrophobicContact CG1-CD1 4.24Å; I536-I572 HydrophobicContact CG2-CD1 3.79Å; I536-Y579 HydrophobicContact CG2-CG 4.43Å |
| 537 | V | 62.8 | Low | 66.3 | Low | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -102.5 | 136.8 | -171.1 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | E533 E541 V543 I572 T574 Y579 | E533-V537 WeakPolarHBondContact O-CB 2.96Å; E533-V537 PolarHBondContact O-N 3.32Å; V537-E541 HydrophobicContact CG1-CB 3.27Å; V537-E541 HydrophobicContact CG1-CG 4.46Å; V537-E541 VanDerWaalsContact CG1-O 3.31Å; V537-E541 WeakPolarHBondContact CG1-O 3.44Å; V537-V543 HydrophobicContact CB-CG2 3.99Å; V537-V543 HydrophobicContact CG1-CG2 3.92Å; V537-V543 HydrophobicContact CG2-CG2 3.79Å; V537-I572 HydrophobicContact CG2-CG2 3.96Å; V537-T574 HydrophobicContact CG1-CG2 3.81Å; V537-T574 HydrophobicContact CG2-CG2 4.01Å; V537-Y579 HydrophobicContact CG2-CE2 4.29Å |
| 538 | S | 61.5 | Low | 66.6 | Low | 39 Ų | 39 | 48.5 Ų | 48.5 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | trans | -61.9 | 150.4 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 109.8 | D540 E541 | S538-D540 WeakPolarHBondContact CB-OD1 2.77Å; S538-D540 WeakPolarHBondContact CB-OD2 3.27Å; S538-D540 PolarHBondContact O-N 3.01Å; S538-D540 VanDerWaalsContact OG-CG 3.3Å; S538-D540 PolarHBondContact OG-OD2 2.98Å; S538-E541 PolarHBondContact O-N 2.82Å | ||
| 539 | D | 64 | Low | 67.5 | Low | 156 Ų | 156 | 47.6 Ų | 47.6 | 83% | 0.834 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.7 | -179.6 | -71.2 | -38.1 | 0 | 0 | 0 | 112.6 | ||
| 540 | D | 66.6 | Low | 68.2 | Low | 134 Ų | 134 | 46.1 Ų | 46.1 | 72% | 0.717 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -20.7 | 177.3 | 29.8 | -69.7 | 0 | 0 | 0 | 114.8 | S538 | S538-D540 WeakPolarHBondContact CB-OD1 2.77Å; S538-D540 WeakPolarHBondContact CB-OD2 3.27Å; S538-D540 PolarHBondContact O-N 3.01Å; S538-D540 VanDerWaalsContact OG-CG 3.3Å; S538-D540 PolarHBondContact OG-OD2 2.98Å |
| 541 | E | 70.7 | Confident | 68.9 | Low | 30 Ų | 30 | 44.1 Ų | 44.1 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -90.5 | 123.8 | 176.4 | -88.9 | -170.2 | -156.9 | 0 | 0 | 111 | V537 S538 V543 T574 Y579 K595 | V537-E541 HydrophobicContact CG1-CB 3.27Å; V537-E541 HydrophobicContact CG1-CG 4.46Å; V537-E541 VanDerWaalsContact CG1-O 3.31Å; V537-E541 WeakPolarHBondContact CG1-O 3.44Å; S538-E541 PolarHBondContact O-N 2.82Å; E541-V543 PolarHBondContact O-N 2.77Å; E541-T574 WeakPolarHBondContact OE2-CG2 3.1Å; E541-T574 PolarHBondContact OE2-OG1 2.83Å; E541-Y579 VanDerWaalsContact CD-OH 3.3Å; E541-Y579 PolarHBondContact OE1-OH 2.81Å; E541-Y579 WeakPolarHBondContact OE2-CE2 3.49Å; E541-Y579 PolarHBondContact OE2-OH 3.1Å; E541-K595 IonicContact OE1-NZ 3.24Å; E541-K595 PolarHBondContact OE1-NZ 3.34Å |
| 542 | V | 77.8 | Confident | 69.5 | Low | 70 Ų | 70 | 43.1 Ų | 43.1 | 42% | 0.424 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -82.2 | 117.5 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | T574 R575 | V542-T574 WeakPolarHBondContact O-CA 3.49Å; V542-T574 WeakPolarHBondContact O-CB 3.23Å; V542-R575 HydrophobicContact CB-CG 4.23Å; V542-R575 PolarHBondContact O-N 3.21Å |
| 543 | V | 77.5 | Confident | 69.9 | Low | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.255 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.9 | 171.7 | -176.2 | 0 | 0 | 0 | 0 | 110 | E533 V537 E541 I572 T574 | E533-V543 HydrophobicContact CB-CG2 4.48Å; V537-V543 HydrophobicContact CB-CG2 3.99Å; V537-V543 HydrophobicContact CG1-CG2 3.92Å; V537-V543 HydrophobicContact CG2-CG2 3.79Å; E541-V543 PolarHBondContact O-N 2.77Å; V543-I572 HydrophobicContact CG1-CG2 3.87Å; V543-I572 HydrophobicContact CG2-CG2 4.34Å; V543-T574 HydrophobicContact CG2-CG2 4.37Å |
| 544 | I | 82.7 | Confident | 69.8 | Low | 42 Ų | 42 | 49 Ų | 49 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -41.6 | 175.8 | -62.5 | 176.5 | 0 | 0 | 0 | 109.9 | L573 R575 A676 L679 | I544-L573 HydrophobicContact CB-CD2 4.32Å; I544-L573 HydrophobicContact CB-CG 4.18Å; I544-L573 HydrophobicContact CD1-CG 4.47Å; I544-L573 HydrophobicContact CG2-CD2 4.15Å; I544-L573 PolarHBondContact N-O 2.84Å; I544-R575 HydrophobicContact CD1-CG 4.02Å; I544-R575 HydrophobicContact CG1-CG 4.24Å; I544-A676 HydrophobicContact CD1-CB 3.35Å; I544-L679 HydrophobicContact CD1-CD1 4.49Å |
| 545 | G | 79.8 | Confident | 69.5 | Low | 13 Ų | 13 | 44.8 Ų | 44.8 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 161.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L573 | G545-L573 PolarHBondContact N-O 3.34Å; G545-L573 PolarHBondContact O-N 3.33Å |
| 546 | S | 74.3 | Confident | 69 | Low | 24 Ų | 24 | 46.8 Ų | 46.8 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 136.5 | 178.9 | 69.5 | 0 | 0 | 0 | 0 | 110.6 | E533 I571 | E533-S546 WeakPolarHBondContact OE1-CB 3.25Å; E533-S546 PolarHBondContact OE1-OG 2.91Å; S546-I571 CarbonylContact C-O 3.27Å; S546-I571 VanDerWaalsContact CA-O 3.25Å; S546-I571 WeakPolarHBondContact CA-O 3.33Å |
| 547 | W | 77.7 | Confident | 68.6 | Low | 28 Ų | 28 | 52.7 Ų | 52.7 | 11% | 0.106 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.3 | -178.2 | -50.9 | -83.2 | 0 | 0 | 0 | 111.6 | L549 V570 I571 L573 I669 Q672 F673 | W547-L549 HydrophobicContact CB-CG 4.41Å; W547-V570 WeakPolarHBondContact O-CA 3.19Å; W547-I571 HydrophobicContact CE3-CB 4.46Å; W547-I571 HydrophobicContact CE3-CG2 4.39Å; W547-I571 PolarHBondContact N-O 3.4Å; W547-I571 PolarHBondContact O-N 3.17Å; W547-L573 HydrophobicContact CH2-CB 3.95Å; W547-L573 HydrophobicContact CH2-CD2 3.93Å; W547-L573 HydrophobicContact CZ3-CB 3.7Å; W547-L573 HydrophobicContact CZ3-CD2 4.3Å; W547-I669 HydrophobicContact CB-CD1 3.96Å; W547-I669 HydrophobicContact CD2-CB 4.5Å; W547-I669 HydrophobicContact CD2-CD1 4.2Å; W547-I669 HydrophobicContact CD2-CG1 3.81Å; W547-I669 HydrophobicContact CD2-CG2 4.06Å; W547-I669 HydrophobicContact CE3-CG2 4.03Å; W547-I669 HydrophobicContact CG-CD1 3.68Å; W547-I669 HydrophobicContact CG-CG1 3.71Å; W547-I669 HydrophobicContact CH2-CG2 4.47Å; W547-I669 HydrophobicContact CZ3-CG2 4.22Å; W547-Q672 HydrophobicContact CH2-CB 3.8Å; W547-Q672 HydrophobicContact CH2-CG 4.44Å; W547-Q672 HydrophobicContact CZ2-CB 3.75Å; W547-Q672 HydrophobicContact CZ2-CG 3.9Å; W547-F673 AromaticContact CZ3-CE2 3.99Å; W547-F673 HydrophobicContact CZ3-CE2 3.99Å |
| 548 | A | 67.2 | Low | 67.6 | Low | 12 Ų | 12 | 52.7 Ų | 52.7 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | M567 T569 F648 | A548-M567 HydrophobicContact CB-CB 4.19Å; A548-M567 HydrophobicContact CB-CE 4.38Å; A548-M567 HydrophobicContact CB-CG 3.95Å; A548-M567 HydrophobicContact CB-SD 3.22Å; A548-M567 WeakPolarHBondContact CB-SD 3.48Å; A548-T569 CarbonylContact C-O 3.59Å; A548-T569 WeakPolarHBondContact CA-O 3.23Å; A548-F648 HydrophobicContact CB-CD2 4.4Å; A548-F648 HydrophobicContact CB-CE2 4.49Å |
| 549 | L | 78.8 | Confident | 66.9 | Low | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 175.5 | -170.1 | -62.9 | -179.4 | 0 | 0 | 0 | 110.5 | W547 D568 T569 I571 W641 L666 I669 | W547-L549 HydrophobicContact CB-CG 4.41Å; L549-D568 PolarHBondContact O-N 3.42Å; L549-T569 PolarHBondContact N-O 3.23Å; L549-T569 PolarHBondContact O-N 3.25Å; L549-I571 HydrophobicContact CD1-CD1 3.57Å; L549-I571 HydrophobicContact CD1-CG1 4.41Å; L549-W641 HydrophobicContact CB-CB 4.09Å; L549-W641 HydrophobicContact CB-CG 4.42Å; L549-W641 HydrophobicContact CD1-CB 3.76Å; L549-W641 HydrophobicContact CD1-CG 4.13Å; L549-L666 HydrophobicContact CD2-CD2 4.08Å; L549-I669 HydrophobicContact CD1-CD1 4.25Å; L549-I669 HydrophobicContact CD2-CD1 3.81Å; L549-I669 HydrophobicContact CG-CD1 4.48Å |
| 550 | V | 74.3 | Confident | 65.9 | Low | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.8 | 173.6 | -168.4 | 0 | 0 | 0 | 0 | 110.7 | A552 D566 D568 W641 R642 A644 | V550-A552 PolarHBondContact O-N 3.14Å; V550-D566 WeakPolarHBondContact CG2-O 3.16Å; V550-D568 VanDerWaalsContact CA-OD1 3.22Å; V550-D568 WeakPolarHBondContact CA-OD1 3.29Å; V550-W641 CarbonylContact O-C 3.53Å; V550-W641 VanDerWaalsContact O-CA 3.26Å; V550-W641 WeakPolarHBondContact O-CA 3.25Å; V550-R642 HydrophobicContact CB-CG 3.83Å; V550-R642 PolarHBondContact N-O 3.11Å; V550-R642 PolarHBondContact O-N 2.79Å; V550-A644 HydrophobicContact CG2-CB 3.93Å |
| 551 | N | 77.4 | Confident | 64.7 | Low | 32 Ų | 32 | 54.3 Ų | 54.3 | 17% | 0.171 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 119.4 | 177.3 | -164.3 | -37 | 0 | 0 | 0 | 108.8 | K553 D568 D582 | N551-K553 PolarHBondContact O-N 2.83Å; N551-D568 WeakPolarHBondContact CB-OD1 3.3Å; N551-D568 VanDerWaalsContact CB-OD2 3.26Å; N551-D568 WeakPolarHBondContact CB-OD2 3.26Å; N551-D568 PolarHBondContact N-OD1 3.4Å; N551-D568 PolarHBondContact N-OD2 3.02Å; N551-D582 PolarHBondContact ND2-OD1 2.82Å |
| 552 | A | 74 | Confident | 63.4 | Low | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | trans | -81.9 | 53.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V550 V640 | V550-A552 PolarHBondContact O-N 3.14Å; A552-V640 HydrophobicContact CB-CB 4.27Å; A552-V640 HydrophobicContact CB-CG1 3.81Å; A552-V640 PolarHBondContact N-O 2.91Å | ||
| 553 | K | 66.7 | Low | 62 | Low | 116 Ų | 116 | 55.6 Ų | 55.6 | 50% | 0.504 | 31% | 0.31 | S | S | . | . | trans | -68.2 | 134 | 171.9 | -69.9 | 173.5 | -173.4 | 158 | 0 | 109.5 | N551 I555 | N551-K553 PolarHBondContact O-N 2.83Å; K553-I555 PolarHBondContact O-N 3.43Å | ||
| 554 | I | 57.9 | Low | 60.7 | Low | 60 Ų | 60 | 57.4 Ų | 57.4 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | trans | -70 | 115.8 | 174.1 | -58.8 | 173.5 | 0 | 0 | 0 | 108.2 | M609 I613 | I554-M609 HydrophobicContact CD1-CE 4.12Å; I554-M609 HydrophobicContact CG1-CE 4.03Å; I554-I613 HydrophobicContact CG2-CD1 3.88Å; I554-I613 HydrophobicContact CG2-CG1 4.19Å | ||
| 555 | I | 55 | Low | 59.3 | Low | 69 Ų | 69 | 59 Ų | 59 | 35% | 0.354 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 110.9 | 175.4 | -47.3 | 174.4 | 0 | 0 | 0 | 108.6 | K553 A558 V611 | K553-I555 PolarHBondContact O-N 3.43Å; I555-A558 HydrophobicContact CB-CB 4.09Å; I555-A558 HydrophobicContact CG2-CB 3.72Å; I555-V611 PolarHBondContact N-O 3.2Å |
| 556 | S | 47.9 | Very low | 58 | Low | 93 Ų | 93 | 62.1 Ų | 62.1 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.7 | 173 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 557 | N | 45 | Very low | 57.2 | Low | 133 Ų | 133 | 63.5 Ų | 63.5 | 71% | 0.711 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 26.8 | 178 | -63 | -17.9 | 0 | 0 | 0 | 116.1 | I613 | N557-I613 PolarHBondContact N-O 3.42Å; N557-I613 VanDerWaalsContact N-O 3.09Å |
| 558 | A | 43.1 | Very low | 56.5 | Low | 6 Ų | 6 | 64 Ų | 64 | 5% | 0.05 | 35% | 0.35 | C | S | . | . | trans | -75.3 | 143.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I555 D562 T614 | I555-A558 HydrophobicContact CB-CB 4.09Å; I555-A558 HydrophobicContact CG2-CB 3.72Å; A558-D562 HydrophobicContact CB-CB 4.07Å; A558-T614 PolarHBondContact O-OG1 3.2Å; A558-T614 VanDerWaalsContact O-OG1 3.12Å | ||
| 559 | T | 45.4 | Very low | 56.6 | Low | 78 Ų | 78 | 63.5 Ų | 63.5 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | trans | -86.8 | 162 | 157.8 | 67.6 | 0 | 0 | 0 | 0 | 110.2 | K561 D562 | T559-K561 PolarHBondContact O-N 3.24Å; T559-D562 WeakPolarHBondContact CA-OD2 3.31Å; T559-D562 WeakPolarHBondContact CB-OD2 3.02Å; T559-D562 PolarHBondContact N-OD2 2.97Å; T559-D562 WeakPolarHBondContact O-CB 3.27Å; T559-D562 PolarHBondContact O-N 3.36Å; T559-D562 PolarHBondContact OG1-OD2 3.26Å | ||
| 560 | A | 43.7 | Very low | 56.2 | Low | 87 Ų | 87 | 65.9 Ų | 65.9 | 72% | 0.719 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 561 | K | 42.5 | Very low | 56.4 | Low | 198 Ų | 198 | 65.8 Ų | 65.8 | 86% | 0.861 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.9 | 173 | -76.1 | -172.9 | 174.2 | -174.8 | 0 | 113.9 | T559 | T559-K561 PolarHBondContact O-N 3.24Š|
| 562 | D | 41.6 | Very low | 56.6 | Low | 85 Ų | 85 | 64.6 Ų | 64.6 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -93.2 | -3.3 | -178.2 | -52.3 | -42.5 | 0 | 0 | 0 | 112.3 | A558 T559 D564 | A558-D562 HydrophobicContact CB-CB 4.07Å; T559-D562 WeakPolarHBondContact CA-OD2 3.31Å; T559-D562 WeakPolarHBondContact CB-OD2 3.02Å; T559-D562 PolarHBondContact N-OD2 2.97Å; T559-D562 WeakPolarHBondContact O-CB 3.27Å; T559-D562 PolarHBondContact O-N 3.36Å; T559-D562 PolarHBondContact OG1-OD2 3.26Å; D562-D564 VanDerWaalsContact C-N 3.32Å; D562-D564 PolarHBondContact O-N 3.28Å; D562-D564 VanDerWaalsContact O-N 3.1Å |
| 563 | I | 49.3 | Very low | 57.2 | Low | 41 Ų | 41 | 64.5 Ų | 64.5 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | trans | -80.8 | 90.2 | 170.8 | -56.4 | 176.9 | 0 | 0 | 0 | 106.5 | N565 | I563-N565 PolarHBondContact O-N 2.92Š| ||
| 564 | D | 50.2 | Low | 58.2 | Low | 80 Ų | 80 | 59 Ų | 59 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | trans | -64.3 | 119.2 | 171.7 | -164.5 | -6.2 | 0 | 0 | 0 | 109.1 | D562 D566 R642 | D562-D564 VanDerWaalsContact C-N 3.32Å; D562-D564 PolarHBondContact O-N 3.28Å; D562-D564 VanDerWaalsContact O-N 3.1Å; D564-D566 VanDerWaalsContact OD1-CB 3.27Å; D564-D566 WeakPolarHBondContact OD1-CB 3.46Å; D564-D566 PolarHBondContact OD1-N 3.27Å; D564-R642 PolarHBondContact O-NH2 3.12Å | ||
| 565 | N | 52.7 | Low | 59.5 | Low | 76 Ų | 76 | 62.7 Ų | 62.7 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | trans | -98.8 | 4.2 | 178.1 | -77.1 | -30 | 0 | 0 | 0 | 111.9 | I563 R642 | I563-N565 PolarHBondContact O-N 2.92Å; N565-R642 PolarHBondContact OD1-NH1 3.31Å; N565-R642 PolarHBondContact OD1-NH2 2.62Å | ||
| 566 | D | 52.4 | Low | 60.9 | Low | 78 Ų | 78 | 65.6 Ų | 65.6 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -75.3 | 148.8 | 177.6 | -66.4 | -14.7 | 0 | 0 | 0 | 110.2 | V550 D564 D568 | V550-D566 WeakPolarHBondContact CG2-O 3.16Å; D564-D566 VanDerWaalsContact OD1-CB 3.27Å; D564-D566 WeakPolarHBondContact OD1-CB 3.46Å; D564-D566 PolarHBondContact OD1-N 3.27Å; D566-D568 PolarHBondContact O-N 2.98Å |
| 567 | M | 58.2 | Low | 62.9 | Low | 53 Ų | 53 | 61.5 Ų | 61.5 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | trans | -66.3 | 119.4 | -172.6 | -58.5 | 171.5 | -168.8 | 0 | 0 | 109.9 | A548 A644 T646 F648 | A548-M567 HydrophobicContact CB-CB 4.19Å; A548-M567 HydrophobicContact CB-CE 4.38Å; A548-M567 HydrophobicContact CB-CG 3.95Å; A548-M567 HydrophobicContact CB-SD 3.22Å; A548-M567 WeakPolarHBondContact CB-SD 3.48Å; M567-A644 HydrophobicContact CE-CB 4.24Å; M567-A644 HydrophobicContact CG-CB 3.54Å; M567-T646 WeakPolarHBondContact CE-O 3.34Å; M567-T646 WeakPolarHBondContact CE-OG1 3.38Å; M567-F648 HydrophobicContact CE-CE2 4.2Å; M567-F648 HydrophobicContact SD-CE2 4.26Å | ||
| 568 | D | 63.6 | Low | 65.1 | Low | 39 Ų | 39 | 55.1 Ų | 55.1 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | trans | -111.9 | -2.5 | 177.3 | 77.4 | -1.5 | 0 | 0 | 0 | 112.4 | L549 V550 N551 D566 D582 Y583 | L549-D568 PolarHBondContact O-N 3.42Å; V550-D568 VanDerWaalsContact CA-OD1 3.22Å; V550-D568 WeakPolarHBondContact CA-OD1 3.29Å; N551-D568 WeakPolarHBondContact CB-OD1 3.3Å; N551-D568 VanDerWaalsContact CB-OD2 3.26Å; N551-D568 WeakPolarHBondContact CB-OD2 3.26Å; N551-D568 PolarHBondContact N-OD1 3.4Å; N551-D568 PolarHBondContact N-OD2 3.02Å; D566-D568 PolarHBondContact O-N 2.98Å; D568-D582 CarbonylContact O-C 3.46Å; D568-D582 WeakPolarHBondContact O-CA 3.36Å; D568-Y583 PolarHBondContact O-N 2.83Å | ||
| 569 | T | 68.2 | Low | 66.9 | Low | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 131.1 | -177.9 | -47.9 | 0 | 0 | 0 | 0 | 111.2 | A548 L549 I571 V580 A581 D582 | A548-T569 CarbonylContact C-O 3.59Å; A548-T569 WeakPolarHBondContact CA-O 3.23Å; L549-T569 PolarHBondContact N-O 3.23Å; L549-T569 PolarHBondContact O-N 3.25Å; T569-I571 HydrophobicContact CG2-CG1 4.26Å; T569-V580 HydrophobicContact CG2-CG1 3.67Å; T569-A581 CarbonylContact C-O 3.59Å; T569-A581 VanDerWaalsContact CA-O 3.3Å; T569-A581 WeakPolarHBondContact CA-O 3.12Å; T569-D582 PolarHBondContact OG1-OD1 3.33Å |
| 570 | V | 71.2 | Confident | 68.5 | Low | 51 Ų | 51 | 51.4 Ų | 51.4 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133.1 | 167.9 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | W547 I572 V580 A581 F590 | W547-V570 WeakPolarHBondContact O-CA 3.19Å; V570-I572 HydrophobicContact CG1-CG1 4.4Å; V570-V580 WeakPolarHBondContact O-CA 3.49Å; V570-A581 PolarHBondContact N-O 2.74Å; V570-A581 PolarHBondContact O-N 3.42Å; V570-F590 HydrophobicContact CG2-CZ 4.42Å |
| 571 | I | 79.1 | Confident | 69.6 | Low | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132 | 175.6 | -54 | -178.7 | 0 | 0 | 0 | 109.5 | S546 W547 L549 T569 Y578 Y579 W641 F673 | S546-I571 CarbonylContact C-O 3.27Å; S546-I571 VanDerWaalsContact CA-O 3.25Å; S546-I571 WeakPolarHBondContact CA-O 3.33Å; W547-I571 HydrophobicContact CE3-CB 4.46Å; W547-I571 HydrophobicContact CE3-CG2 4.39Å; W547-I571 PolarHBondContact N-O 3.4Å; W547-I571 PolarHBondContact O-N 3.17Å; L549-I571 HydrophobicContact CD1-CD1 3.57Å; L549-I571 HydrophobicContact CD1-CG1 4.41Å; T569-I571 HydrophobicContact CG2-CG1 4.26Å; I571-Y578 HydrophobicContact CG2-CD2 4.34Å; I571-Y579 CarbonylContact C-O 3.51Å; I571-Y579 VanDerWaalsContact CA-O 3.23Å; I571-Y579 WeakPolarHBondContact CA-O 3.33Å; I571-W641 HydrophobicContact CD1-CD2 3.65Å; I571-W641 HydrophobicContact CD1-CE3 3.71Å; I571-W641 HydrophobicContact CD1-CG 4.3Å; I571-W641 HydrophobicContact CD1-CH2 3.56Å; I571-W641 HydrophobicContact CD1-CZ2 3.55Å; I571-W641 HydrophobicContact CD1-CZ3 3.68Å; I571-W641 HydrophobicContact CG1-CH2 4.43Å; I571-W641 HydrophobicContact CG1-CZ2 4.13Å; I571-F673 HydrophobicContact CG2-CZ 4.25Å |
| 572 | I | 80.6 | Confident | 70.7 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.7 | 172.2 | -58 | 175.1 | 0 | 0 | 0 | 108.4 | I536 V537 V543 V570 T574 Y578 Y579 | I536-I572 HydrophobicContact CB-CD1 4.04Å; I536-I572 HydrophobicContact CD1-CD1 3.35Å; I536-I572 HydrophobicContact CG1-CD1 4.24Å; I536-I572 HydrophobicContact CG2-CD1 3.79Å; V537-I572 HydrophobicContact CG2-CG2 3.96Å; V543-I572 HydrophobicContact CG1-CG2 3.87Å; V543-I572 HydrophobicContact CG2-CG2 4.34Å; V570-I572 HydrophobicContact CG1-CG1 4.4Å; I572-T574 HydrophobicContact CG2-CG2 4.49Å; I572-Y578 CarbonylContact O-C 3.49Å; I572-Y578 VanDerWaalsContact O-CA 3.24Å; I572-Y578 WeakPolarHBondContact O-CA 3.35Å; I572-Y579 HydrophobicContact CB-CD2 4.37Å; I572-Y579 HydrophobicContact CG2-CD2 4.49Å; I572-Y579 PolarHBondContact N-O 2.86Å; I572-Y579 PolarHBondContact O-N 3.23Å |
| 573 | L | 87.8 | Confident | 71.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.1 | 177.8 | 177.6 | 64.2 | 0 | 0 | 0 | 109.7 | I544 G545 W547 L598 Q672 F673 A676 | I544-L573 HydrophobicContact CB-CD2 4.32Å; I544-L573 HydrophobicContact CB-CG 4.18Å; I544-L573 HydrophobicContact CD1-CG 4.47Å; I544-L573 HydrophobicContact CG2-CD2 4.15Å; I544-L573 PolarHBondContact N-O 2.84Å; G545-L573 PolarHBondContact N-O 3.34Å; G545-L573 PolarHBondContact O-N 3.33Å; W547-L573 HydrophobicContact CH2-CB 3.95Å; W547-L573 HydrophobicContact CH2-CD2 3.93Å; W547-L573 HydrophobicContact CZ3-CB 3.7Å; W547-L573 HydrophobicContact CZ3-CD2 4.3Å; L573-L598 HydrophobicContact CD1-CD1 4.46Å; L573-L598 HydrophobicContact CD1-CD2 3.74Å; L573-Q672 HydrophobicContact CD2-CB 4.35Å; L573-F673 HydrophobicContact CD1-CD1 4.01Å; L573-F673 HydrophobicContact CD1-CE1 3.8Å; L573-F673 HydrophobicContact CD1-CZ 4.14Å; L573-F673 HydrophobicContact CD2-CD1 4.39Å; L573-F673 HydrophobicContact CD2-CD2 4.02Å; L573-F673 HydrophobicContact CD2-CE2 4.27Å; L573-F673 HydrophobicContact CD2-CG 4.09Å; L573-A676 HydrophobicContact CD1-CB 3.93Å; L573-A676 HydrophobicContact CD2-CB 3.74Å; L573-A676 HydrophobicContact CG-CB 4Å |
| 574 | T | 86.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 176.9 | 170.9 | 73.6 | 0 | 0 | 0 | 0 | 110.1 | V537 E541 V542 V543 I572 E576 S577 Y579 | V537-T574 HydrophobicContact CG1-CG2 3.81Å; V537-T574 HydrophobicContact CG2-CG2 4.01Å; E541-T574 WeakPolarHBondContact OE2-CG2 3.1Å; E541-T574 PolarHBondContact OE2-OG1 2.83Å; V542-T574 WeakPolarHBondContact O-CA 3.49Å; V542-T574 WeakPolarHBondContact O-CB 3.23Å; V543-T574 HydrophobicContact CG2-CG2 4.37Å; I572-T574 HydrophobicContact CG2-CG2 4.49Å; T574-E576 PolarHBondContact O-N 2.84Å; T574-S577 PolarHBondContact N-O 3.33Å; T574-S577 PolarHBondContact OG1-N 3.28Å; T574-S577 PolarHBondContact OG1-O 2.96Å; T574-S577 VanDerWaalsContact OG1-O 3.05Å; T574-Y579 HydrophobicContact CG2-CD2 4.17Å; T574-Y579 HydrophobicContact CG2-CE2 3.65Å |
| 575 | R | 85.8 | Confident | 71.3 | Confident | 138 Ų | 138 | 37.4 Ų | 37.4 | 52% | 0.521 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -62.3 | -20.9 | 176.8 | -69.9 | -176.7 | 177.8 | -172.1 | -0.8 | 114.3 | V542 I544 L598 | V542-R575 HydrophobicContact CB-CG 4.23Å; V542-R575 PolarHBondContact O-N 3.21Å; I544-R575 HydrophobicContact CD1-CG 4.02Å; I544-R575 HydrophobicContact CG1-CG 4.24Å; R575-L598 WeakPolarHBondContact O-CD1 3.32Å |
| 576 | E | 84.9 | Confident | 71 | Confident | 130 Ų | 130 | 37.3 Ų | 37.3 | 61% | 0.607 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -119.3 | -26.3 | -172.6 | -61.3 | -169.6 | -179.7 | 0 | 0 | 113.8 | T574 L598 | T574-E576 PolarHBondContact O-N 2.84Å; E576-L598 PolarHBondContact O-N 2.95Å |
| 577 | S | 89.9 | Confident | 70.7 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 162.5 | -174.5 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | T574 K595 V596 | T574-S577 PolarHBondContact N-O 3.33Å; T574-S577 PolarHBondContact OG1-N 3.28Å; T574-S577 PolarHBondContact OG1-O 2.96Å; T574-S577 VanDerWaalsContact OG1-O 3.05Å; S577-K595 VanDerWaalsContact CB-CE 3.46Å; S577-K595 WeakPolarHBondContact OG-CE 3.49Å; S577-V596 CarbonylContact C-O 3.52Å; S577-V596 WeakPolarHBondContact CA-O 3.2Å; S577-V596 WeakPolarHBondContact CB-O 3.36Å |
| 578 | Y | 90 | Very high | 70 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 148.7 | 159.5 | 76.2 | -85.2 | 0 | 0 | 0 | 110.3 | I571 I572 V580 V596 L598 I601 I627 Y629 H639 W641 F673 | I571-Y578 HydrophobicContact CG2-CD2 4.34Å; I572-Y578 CarbonylContact O-C 3.49Å; I572-Y578 VanDerWaalsContact O-CA 3.24Å; I572-Y578 WeakPolarHBondContact O-CA 3.35Å; Y578-V580 HydrophobicContact CD2-CG2 3.6Å; Y578-V580 HydrophobicContact CE2-CG2 3.36Å; Y578-V596 HydrophobicContact CD1-CB 3.85Å; Y578-V596 HydrophobicContact CD1-CG1 4.15Å; Y578-V596 HydrophobicContact CE1-CB 3.34Å; Y578-V596 HydrophobicContact CE1-CG1 3.33Å; Y578-V596 HydrophobicContact CE1-CG2 4.16Å; Y578-V596 HydrophobicContact CE2-CB 4.05Å; Y578-V596 HydrophobicContact CE2-CG2 4.09Å; Y578-V596 HydrophobicContact CG-CB 4.42Å; Y578-V596 VanDerWaalsContact CZ-CB 3.45Å; Y578-V596 PolarHBondContact N-O 3.12Å; Y578-V596 PolarHBondContact O-N 2.99Å; Y578-L598 HydrophobicContact CD1-CD2 4.25Å; Y578-I601 HydrophobicContact CD1-CD1 3.85Å; Y578-I601 HydrophobicContact CD1-CG1 4.42Å; Y578-I601 HydrophobicContact CE1-CD1 3.7Å; Y578-I601 HydrophobicContact CE1-CG1 3.86Å; Y578-I627 HydrophobicContact CE1-CG2 4.32Å; Y578-Y629 VanDerWaalsContact OH-CD1 3.25Å; Y578-Y629 WeakPolarHBondContact OH-CD1 3.34Å; Y578-H639 AromaticContact CE2-ND1 3.79Å; Y578-H639 PolarHBondContact OH-ND1 2.95Å; Y578-W641 HydrophobicContact CE2-CH2 4.05Å; Y578-F673 HydrophobicContact CD1-CE1 4.01Å; Y578-F673 HydrophobicContact CD2-CZ 4.45Å; Y578-F673 AromaticContact CG-CE1 3.95Å; Y578-F673 HydrophobicContact CG-CE1 3.95Å; Y578-F673 HydrophobicContact CG-CZ 4.12Å |
| 579 | Y | 81.6 | Confident | 69.1 | Low | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.4 | -178.8 | -60.7 | -87.3 | 0 | 0 | 0 | 108.6 | L463 I536 V537 E541 I571 I572 T574 F593 Q594 K595 | L463-Y579 HydrophobicContact CD2-CE1 3.98Å; I536-Y579 HydrophobicContact CG2-CG 4.43Å; V537-Y579 HydrophobicContact CG2-CE2 4.29Å; E541-Y579 VanDerWaalsContact CD-OH 3.3Å; E541-Y579 PolarHBondContact OE1-OH 2.81Å; E541-Y579 WeakPolarHBondContact OE2-CE2 3.49Å; E541-Y579 PolarHBondContact OE2-OH 3.1Å; I571-Y579 CarbonylContact C-O 3.51Å; I571-Y579 VanDerWaalsContact CA-O 3.23Å; I571-Y579 WeakPolarHBondContact CA-O 3.33Å; I572-Y579 HydrophobicContact CB-CD2 4.37Å; I572-Y579 HydrophobicContact CG2-CD2 4.49Å; I572-Y579 PolarHBondContact N-O 2.86Å; I572-Y579 PolarHBondContact O-N 3.23Å; T574-Y579 HydrophobicContact CG2-CD2 4.17Å; T574-Y579 HydrophobicContact CG2-CE2 3.65Å; Y579-F593 HydrophobicContact CD1-CE1 4.45Å; Y579-F593 HydrophobicContact CD1-CE2 4.06Å; Y579-F593 AromaticContact CD1-CZ 3.5Å; Y579-F593 HydrophobicContact CD1-CZ 3.5Å; Y579-F593 VanDerWaalsContact CD1-CZ 3.5Å; Y579-F593 HydrophobicContact CE1-CZ 4.24Å; Y579-F593 HydrophobicContact CG-CZ 4.35Å; Y579-Q594 CarbonylContact C-O 3.6Å; Y579-Q594 WeakPolarHBondContact CA-O 3.5Å; Y579-K595 HydrophobicContact CD1-CB 3.78Å; Y579-K595 HydrophobicContact CD1-CD 4.46Å; Y579-K595 HydrophobicContact CD1-CG 3.9Å; Y579-K595 HydrophobicContact CE1-CB 3.7Å; Y579-K595 HydrophobicContact CE1-CD 3.55Å; Y579-K595 HydrophobicContact CE1-CG 3.45Å; Y579-K595 VanDerWaalsContact CE1-CG 3.45Å; Y579-K595 WeakPolarHBondContact OH-CE 3.24Å; Y579-K595 PolarHBondContact OH-NZ 2.87Å |
| 580 | V | 79.7 | Confident | 68 | Low | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.8 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | T569 V570 Y578 F593 Q594 W641 | T569-V580 HydrophobicContact CG2-CG1 3.67Å; V570-V580 WeakPolarHBondContact O-CA 3.49Å; Y578-V580 HydrophobicContact CD2-CG2 3.6Å; Y578-V580 HydrophobicContact CE2-CG2 3.36Å; V580-F593 CarbonylContact O-C 3.57Å; V580-F593 VanDerWaalsContact O-CA 3.26Å; V580-F593 WeakPolarHBondContact O-CA 3.46Å; V580-F593 VanDerWaalsContact O-CD2 3.25Å; V580-F593 WeakPolarHBondContact O-CD2 3.44Å; V580-Q594 PolarHBondContact N-O 3.04Å; V580-Q594 PolarHBondContact O-N 3.13Å; V580-W641 HydrophobicContact CB-CZ2 4.42Å; V580-W641 HydrophobicContact CG1-CZ2 3.8Å; V580-W641 HydrophobicContact CG2-CH2 3.92Å; V580-W641 HydrophobicContact CG2-CZ2 3.67Å |
| 581 | A | 66.8 | Low | 67.2 | Low | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 111.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V467 T569 V570 F590 H592 F593 | V467-A581 HydrophobicContact CG1-CB 4.4Å; T569-A581 CarbonylContact C-O 3.59Å; T569-A581 VanDerWaalsContact CA-O 3.3Å; T569-A581 WeakPolarHBondContact CA-O 3.12Å; V570-A581 PolarHBondContact N-O 2.74Å; V570-A581 PolarHBondContact O-N 3.42Å; A581-F590 HydrophobicContact CB-CD1 3.99Å; A581-F590 HydrophobicContact CB-CD2 4.22Å; A581-F590 HydrophobicContact CB-CE1 3.44Å; A581-F590 VanDerWaalsContact CB-CE1 3.44Å; A581-F590 HydrophobicContact CB-CE2 3.61Å; A581-F590 HydrophobicContact CB-CG 4.37Å; A581-F590 HydrophobicContact CB-CZ 3.24Å; A581-F590 WeakPolarHBondContact O-CE1 3.11Å; A581-H592 CarbonylContact C-O 3.59Å; A581-H592 WeakPolarHBondContact CA-O 3.43Å; A581-F593 HydrophobicContact CB-CD2 4.06Å |
| 582 | D | 64.4 | Low | 66.4 | Low | 25 Ų | 25 | 46.9 Ų | 46.9 | 13% | 0.134 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.3 | 178.8 | -64.3 | -43.6 | 0 | 0 | 0 | 110.8 | N551 D568 T569 F590 L591 H592 | N551-D582 PolarHBondContact ND2-OD1 2.82Å; D568-D582 CarbonylContact O-C 3.46Å; D568-D582 WeakPolarHBondContact O-CA 3.36Å; T569-D582 PolarHBondContact OG1-OD1 3.33Å; D582-F590 CarbonylContact O-C 3.56Å; D582-F590 WeakPolarHBondContact O-CA 3.37Å; D582-F590 WeakPolarHBondContact O-CD1 3.45Å; D582-L591 PolarHBondContact O-N 3.17Å; D582-H592 HydrophobicContact CB-CB 4.13Å; D582-H592 PolarHBondContact N-O 3.21Å; D582-H592 PolarHBondContact O-N 2.81Å; D582-H592 IonicContact OD2-CD2 2.78Å; D582-H592 IonicContact OD2-CG 2.66Å |
| 583 | Y | 53.4 | Low | 65.7 | Low | 36 Ų | 36 | 48.1 Ų | 48.1 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.5 | -173.2 | 177 | -117.7 | 0 | 0 | 0 | 112.2 | Y471 D568 E585 D588 K589 F590 | Y471-Y583 HydrophobicContact CE1-CD2 4.05Å; Y471-Y583 AromaticContact CE1-CE2 4Å; Y471-Y583 HydrophobicContact CE1-CE2 4Å; Y471-Y583 AromaticContact CE2-CD2 3.73Å; Y471-Y583 HydrophobicContact CE2-CD2 3.73Å; Y471-Y583 HydrophobicContact CE2-CE2 4.02Å; Y471-Y583 HydrophobicContact CE2-CG 4.16Å; Y471-Y583 AromaticContact CZ-CD2 3.36Å; Y471-Y583 AromaticContact CZ-CE2 3.29Å; Y471-Y583 VanDerWaalsContact OH-CD2 3.26Å; Y471-Y583 WeakPolarHBondContact OH-CD2 3.13Å; Y471-Y583 WeakPolarHBondContact OH-CE2 3.5Å; Y471-Y583 PolarHBondContact OH-OH 2.72Å; D568-Y583 PolarHBondContact O-N 2.83Å; Y583-E585 HydrophobicContact CE1-CB 3.92Å; Y583-E585 HydrophobicContact CE1-CG 4.04Å; Y583-D588 PolarHBondContact OH-OD1 3.28Å; Y583-K589 WeakPolarHBondContact CD2-O 3.45Å; Y583-F590 HydrophobicContact CD2-CD1 4.34Å |
| 584 | D | 53.1 | Low | 65.1 | Low | 51 Ų | 51 | 50.2 Ų | 50.2 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113 | 171.1 | -172.1 | -59.4 | 0 | 0 | 0 | 109.2 | G586 L587 D588 K589 L591 | D584-G586 VanDerWaalsContact C-N 3.32Å; D584-G586 PolarHBondContact O-N 2.58Å; D584-G586 WeakPolarHBondContact OD1-CA 3.31Å; D584-G586 PolarHBondContact OD1-N 2.87Å; D584-L587 HydrophobicContact CB-CB 4.21Å; D584-L587 PolarHBondContact O-N 3.44Å; D584-L587 PolarHBondContact OD1-N 3.49Å; D584-D588 WeakPolarHBondContact O-CA 3.48Å; D584-D588 PolarHBondContact O-N 2.85Å; D584-K589 PolarHBondContact N-O 3.16Å; D584-K589 PolarHBondContact O-N 2.95Å; D584-L591 HydrophobicContact CB-CD1 3.85Å; D584-L591 HydrophobicContact CB-CD2 3.95Å; D584-L591 HydrophobicContact CB-CG 3.74Å |
| 585 | E | 48.5 | Very low | 64.9 | Low | 80 Ų | 80 | 54 Ų | 54 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -33.9 | -178.7 | -155.7 | -143.1 | 154.2 | 0 | 0 | 112.7 | Y583 | Y583-E585 HydrophobicContact CE1-CB 3.92Å; Y583-E585 HydrophobicContact CE1-CG 4.04Å |
| 586 | G | 46.3 | Very low | 65 | Low | 75 Ų | 75 | 47.5 Ų | 47.5 | 77% | 0.773 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -36.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D584 | D584-G586 VanDerWaalsContact C-N 3.32Å; D584-G586 PolarHBondContact O-N 2.58Å; D584-G586 WeakPolarHBondContact OD1-CA 3.31Å; D584-G586 PolarHBondContact OD1-N 2.87Å |
| 587 | L | 44.5 | Very low | 65.3 | Low | 108 Ų | 108 | 43.1 Ų | 43.1 | 57% | 0.565 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -10.9 | 178.2 | -63.2 | 178.8 | 0 | 0 | 0 | 113.7 | D584 K589 L591 | D584-L587 HydrophobicContact CB-CB 4.21Å; D584-L587 PolarHBondContact O-N 3.44Å; D584-L587 PolarHBondContact OD1-N 3.49Å; L587-K589 WeakPolarHBondContact O-CG 3.03Å; L587-K589 PolarHBondContact O-N 2.9Å; L587-L591 HydrophobicContact CD1-CD2 4.32Å |
| 588 | D | 44.5 | Very low | 65.4 | Low | 22 Ų | 22 | 42.9 Ų | 42.9 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 33.7 | -179.2 | -148.7 | 19.1 | 0 | 0 | 0 | 112.3 | N475 L479 Y583 D584 | N475-D588 VanDerWaalsContact ND2-CG 3.29Å; N475-D588 PolarHBondContact ND2-OD1 2.76Å; L479-D588 VanDerWaalsContact CD1-OD2 3.23Å; L479-D588 WeakPolarHBondContact CD1-OD2 3.25Å; Y583-D588 PolarHBondContact OH-OD1 3.28Å; D584-D588 WeakPolarHBondContact O-CA 3.48Å; D584-D588 PolarHBondContact O-N 2.85Å |
| 589 | K | 43.8 | Very low | 65.5 | Low | 65 Ų | 65 | 52.5 Ų | 52.5 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 149 | -172.8 | -68.9 | 179.7 | -170.2 | -142.6 | 0 | 112.8 | D449 Y583 D584 L587 | D449-K589 VanDerWaalsContact CG-NZ 3.27Å; D449-K589 WeakPolarHBondContact OD1-CE 3.26Å; D449-K589 IonicContact OD1-NZ 3.27Å; D449-K589 PolarHBondContact OD1-NZ 3.09Å; D449-K589 IonicContact OD2-NZ 2.69Å; D449-K589 PolarHBondContact OD2-NZ 3.23Å; Y583-K589 WeakPolarHBondContact CD2-O 3.45Å; D584-K589 PolarHBondContact N-O 3.16Å; D584-K589 PolarHBondContact O-N 2.95Å; L587-K589 WeakPolarHBondContact O-CG 3.03Å; L587-K589 PolarHBondContact O-N 2.9Å |
| 590 | F | 44.8 | Very low | 66 | Low | 39 Ų | 39 | 53.4 Ų | 53.4 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 129.3 | 164.5 | -80.6 | -45.8 | 0 | 0 | 0 | 111.1 | V467 Y471 V570 A581 D582 Y583 | V467-F590 HydrophobicContact CG1-CE2 4.48Å; Y471-F590 AromaticContact CD1-CD2 3.71Å; Y471-F590 HydrophobicContact CD1-CD2 3.71Å; Y471-F590 AromaticContact CD1-CE2 3.9Å; Y471-F590 HydrophobicContact CD1-CE2 3.9Å; Y471-F590 HydrophobicContact CD1-CG 4.23Å; Y471-F590 HydrophobicContact CD1-CZ 4.47Å; Y471-F590 HydrophobicContact CD2-CD1 4.42Å; Y471-F590 HydrophobicContact CD2-CD2 4.09Å; Y471-F590 AromaticContact CD2-CE1 3.85Å; Y471-F590 HydrophobicContact CD2-CE1 3.85Å; Y471-F590 AromaticContact CD2-CE2 3.52Å; Y471-F590 HydrophobicContact CD2-CE2 3.52Å; Y471-F590 AromaticContact CD2-CZ 3.33Å; Y471-F590 HydrophobicContact CD2-CZ 3.33Å; Y471-F590 HydrophobicContact CE2-CE1 4.31Å; Y471-F590 HydrophobicContact CE2-CZ 4.21Å; Y471-F590 AromaticContact CG-CD2 3.47Å; Y471-F590 HydrophobicContact CG-CD2 3.47Å; Y471-F590 VanDerWaalsContact CG-CD2 3.47Å; Y471-F590 HydrophobicContact CG-CE1 4.24Å; Y471-F590 AromaticContact CG-CE2 3.15Å; Y471-F590 HydrophobicContact CG-CE2 3.15Å; Y471-F590 HydrophobicContact CG-CG 4.2Å; Y471-F590 AromaticContact CG-CZ 3.54Å; Y471-F590 HydrophobicContact CG-CZ 3.54Å; V570-F590 HydrophobicContact CG2-CZ 4.42Å; A581-F590 HydrophobicContact CB-CD1 3.99Å; A581-F590 HydrophobicContact CB-CD2 4.22Å; A581-F590 HydrophobicContact CB-CE1 3.44Å; A581-F590 VanDerWaalsContact CB-CE1 3.44Å; A581-F590 HydrophobicContact CB-CE2 3.61Å; A581-F590 HydrophobicContact CB-CG 4.37Å; A581-F590 HydrophobicContact CB-CZ 3.24Å; A581-F590 WeakPolarHBondContact O-CE1 3.11Å; D582-F590 CarbonylContact O-C 3.56Å; D582-F590 WeakPolarHBondContact O-CA 3.37Å; D582-F590 WeakPolarHBondContact O-CD1 3.45Å; Y583-F590 HydrophobicContact CD2-CD1 4.34Å |
| 591 | L | 54.4 | Low | 66.8 | Low | 105 Ų | 105 | 53.9 Ų | 53.9 | 55% | 0.55 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -35.9 | 175.2 | -63.7 | 177.3 | 0 | 0 | 0 | 111.6 | D582 D584 L587 | D582-L591 PolarHBondContact O-N 3.17Å; D584-L591 HydrophobicContact CB-CD1 3.85Å; D584-L591 HydrophobicContact CB-CD2 3.95Å; D584-L591 HydrophobicContact CB-CG 3.74Å; L587-L591 HydrophobicContact CD1-CD2 4.32Å |
| 592 | H | 63 | Low | 68 | Low | 87 Ų | 87 | 56.7 Ų | 56.7 | 40% | 0.403 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 139.3 | -169.2 | -174.7 | 58.8 | 0 | 0 | 0 | 111.8 | A581 D582 | A581-H592 CarbonylContact C-O 3.59Å; A581-H592 WeakPolarHBondContact CA-O 3.43Å; D582-H592 HydrophobicContact CB-CB 4.13Å; D582-H592 PolarHBondContact N-O 3.21Å; D582-H592 PolarHBondContact O-N 2.81Å; D582-H592 IonicContact OD2-CD2 2.78Å; D582-H592 IonicContact OD2-CG 2.66Å |
| 593 | F | 65.5 | Low | 69.4 | Low | 34 Ų | 34 | 59.2 Ų | 59.2 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.2 | 171.1 | 172.2 | -96 | 0 | 0 | 0 | 110 | V464 V467 Y579 V580 A581 | V464-F593 HydrophobicContact CB-CD1 4.08Å; V464-F593 HydrophobicContact CG1-CB 4.21Å; V464-F593 HydrophobicContact CG1-CD1 3.92Å; V464-F593 HydrophobicContact CG1-CG 4.41Å; V464-F593 HydrophobicContact CG2-CD1 3.85Å; V464-F593 HydrophobicContact CG2-CE1 4.18Å; V467-F593 HydrophobicContact CB-CD2 3.88Å; V467-F593 HydrophobicContact CB-CE2 3.68Å; V467-F593 HydrophobicContact CB-CG 4.37Å; V467-F593 HydrophobicContact CB-CZ 3.99Å; V467-F593 HydrophobicContact CG1-CD2 3.45Å; V467-F593 VanDerWaalsContact CG1-CD2 3.45Å; V467-F593 HydrophobicContact CG1-CE2 3.45Å; V467-F593 VanDerWaalsContact CG1-CE2 3.45Å; V467-F593 HydrophobicContact CG1-CG 4.3Å; V467-F593 HydrophobicContact CG1-CZ 4.26Å; V467-F593 HydrophobicContact CG2-CD2 3.98Å; V467-F593 HydrophobicContact CG2-CE1 3.88Å; V467-F593 HydrophobicContact CG2-CE2 3.27Å; V467-F593 HydrophobicContact CG2-CZ 3.16Å; Y579-F593 HydrophobicContact CD1-CE1 4.45Å; Y579-F593 HydrophobicContact CD1-CE2 4.06Å; Y579-F593 AromaticContact CD1-CZ 3.5Å; Y579-F593 HydrophobicContact CD1-CZ 3.5Å; Y579-F593 VanDerWaalsContact CD1-CZ 3.5Å; Y579-F593 HydrophobicContact CE1-CZ 4.24Å; Y579-F593 HydrophobicContact CG-CZ 4.35Å; V580-F593 CarbonylContact O-C 3.57Å; V580-F593 VanDerWaalsContact O-CA 3.26Å; V580-F593 WeakPolarHBondContact O-CA 3.46Å; V580-F593 VanDerWaalsContact O-CD2 3.25Å; V580-F593 WeakPolarHBondContact O-CD2 3.44Å; A581-F593 HydrophobicContact CB-CD2 4.06Å |
| 594 | Q | 75 | Confident | 71.4 | Confident | 44 Ų | 44 | 57.6 Ų | 57.6 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 131.6 | -178.9 | -166 | 179.7 | 21.4 | 0 | 0 | 111.7 | Y579 V580 V596 Y629 H639 | Y579-Q594 CarbonylContact C-O 3.6Å; Y579-Q594 WeakPolarHBondContact CA-O 3.5Å; V580-Q594 PolarHBondContact N-O 3.04Å; V580-Q594 PolarHBondContact O-N 3.13Å; Q594-V596 HydrophobicContact CG-CG2 3.78Å; Q594-Y629 VanDerWaalsContact CD-OH 3.26Å; Q594-Y629 PolarHBondContact NE2-OH 3.06Å; Q594-Y629 PolarHBondContact OE1-OH 3.05Å; Q594-H639 PolarHBondContact OE1-CE1 3.49Å; Q594-H639 PolarHBondContact OE1-NE2 3.4Å |
| 595 | K | 82.6 | Confident | 73.3 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125 | 162.2 | -179.1 | 178.4 | -172.9 | 158 | 0 | 107.9 | L463 E541 S577 Y579 | L463-K595 HydrophobicContact CD2-CD 4.1Å; E541-K595 IonicContact OE1-NZ 3.24Å; E541-K595 PolarHBondContact OE1-NZ 3.34Å; S577-K595 VanDerWaalsContact CB-CE 3.46Å; S577-K595 WeakPolarHBondContact OG-CE 3.49Å; Y579-K595 HydrophobicContact CD1-CB 3.78Å; Y579-K595 HydrophobicContact CD1-CD 4.46Å; Y579-K595 HydrophobicContact CD1-CG 3.9Å; Y579-K595 HydrophobicContact CE1-CB 3.7Å; Y579-K595 HydrophobicContact CE1-CD 3.55Å; Y579-K595 HydrophobicContact CE1-CG 3.45Å; Y579-K595 VanDerWaalsContact CE1-CG 3.45Å; Y579-K595 WeakPolarHBondContact OH-CE 3.24Å; Y579-K595 PolarHBondContact OH-NZ 2.87Å |
| 596 | V | 88.6 | Confident | 75.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.2 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | S577 Y578 Q594 Y629 | S577-V596 CarbonylContact C-O 3.52Å; S577-V596 WeakPolarHBondContact CA-O 3.2Å; S577-V596 WeakPolarHBondContact CB-O 3.36Å; Y578-V596 HydrophobicContact CD1-CB 3.85Å; Y578-V596 HydrophobicContact CD1-CG1 4.15Å; Y578-V596 HydrophobicContact CE1-CB 3.34Å; Y578-V596 HydrophobicContact CE1-CG1 3.33Å; Y578-V596 HydrophobicContact CE1-CG2 4.16Å; Y578-V596 HydrophobicContact CE2-CB 4.05Å; Y578-V596 HydrophobicContact CE2-CG2 4.09Å; Y578-V596 HydrophobicContact CG-CB 4.42Å; Y578-V596 VanDerWaalsContact CZ-CB 3.45Å; Y578-V596 PolarHBondContact N-O 3.12Å; Y578-V596 PolarHBondContact O-N 2.99Å; Q594-V596 HydrophobicContact CG-CG2 3.78Å; V596-Y629 HydrophobicContact CG1-CD1 4.33Å; V596-Y629 HydrophobicContact CG1-CD2 3.75Å; V596-Y629 HydrophobicContact CG1-CE2 4.38Å; V596-Y629 HydrophobicContact CG1-CG 3.73Å; V596-Y629 HydrophobicContact CG2-CD2 4.3Å; V596-Y629 HydrophobicContact CG2-CE1 4.45Å; V596-Y629 HydrophobicContact CG2-CE2 4.09Å |
| 597 | P | 90.7 | Very high | 77.4 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 24% | 0.24 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 140.2 | 174.6 | -23.1 | 33.9 | 0 | 0 | 0 | 111.4 | R599 S600 | P597-R599 HydrophobicContact CB-CG 3.83Å; P597-R599 PolarHBondContact O-N 3.43Å; P597-S600 VanDerWaalsContact O-CB 3.29Å; P597-S600 WeakPolarHBondContact O-CB 3.48Å; P597-S600 PolarHBondContact O-N 3.23Å |
| 598 | L | 93 | Very high | 79.4 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -60.2 | -34.7 | 178.6 | -67.7 | -177.2 | 0 | 0 | 0 | 111.9 | L573 R575 E576 Y578 S600 I601 A676 L677 A680 L682 | L573-L598 HydrophobicContact CD1-CD1 4.46Å; L573-L598 HydrophobicContact CD1-CD2 3.74Å; R575-L598 WeakPolarHBondContact O-CD1 3.32Å; E576-L598 PolarHBondContact O-N 2.95Å; Y578-L598 HydrophobicContact CD1-CD2 4.25Å; L598-S600 PolarHBondContact O-N 3.44Å; L598-S600 VanDerWaalsContact O-N 3.15Å; L598-I601 HydrophobicContact CD2-CD1 3.78Å; L598-I601 WeakPolarHBondContact O-CB 3.5Å; L598-I601 WeakPolarHBondContact O-CG1 3.34Å; L598-I601 PolarHBondContact O-N 2.94Å; L598-A676 HydrophobicContact CD1-CB 4.03Å; L598-L677 HydrophobicContact CB-CD2 4.16Å; L598-A680 HydrophobicContact CD1-CB 4.48Å; L598-L682 VanDerWaalsContact C-CD1 3.44Å; L598-L682 HydrophobicContact CB-CD1 3.67Å |
| 599 | R | 91.2 | Very high | 81.3 | Confident | 202 Ų | 202 | 44.2 Ų | 44.2 | 76% | 0.762 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -62.2 | -18.7 | 175.3 | 66.6 | 178.1 | 179.5 | -141.3 | -0.5 | 114.3 | P597 I601 L682 | P597-R599 HydrophobicContact CB-CG 3.83Å; P597-R599 PolarHBondContact O-N 3.43Å; R599-I601 VanDerWaalsContact C-N 3.35Å; R599-L682 HydrophobicContact CB-CD1 4.16Å; R599-L682 HydrophobicContact CB-CD2 4.13Å |
| 600 | S | 92.7 | Very high | 82.9 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -85.3 | -11.6 | 178.5 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | P597 L598 Y629 V630 | P597-S600 VanDerWaalsContact O-CB 3.29Å; P597-S600 WeakPolarHBondContact O-CB 3.48Å; P597-S600 PolarHBondContact O-N 3.23Å; L598-S600 PolarHBondContact O-N 3.44Å; L598-S600 VanDerWaalsContact O-N 3.15Å; S600-Y629 CarbonylContact O-C 3.55Å; S600-Y629 WeakPolarHBondContact O-CA 3.41Å; S600-Y629 WeakPolarHBondContact O-CB 3.49Å; S600-V630 WeakPolarHBondContact CB-O 3.34Å; S600-V630 PolarHBondContact O-N 3.09Å |
| 601 | I | 95.3 | Very high | 84.1 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129.5 | 178.9 | -56.6 | 176.5 | 0 | 0 | 0 | 109.1 | Y578 L598 R599 I604 I627 F673 L677 V684 | Y578-I601 HydrophobicContact CD1-CD1 3.85Å; Y578-I601 HydrophobicContact CD1-CG1 4.42Å; Y578-I601 HydrophobicContact CE1-CD1 3.7Å; Y578-I601 HydrophobicContact CE1-CG1 3.86Å; L598-I601 HydrophobicContact CD2-CD1 3.78Å; L598-I601 WeakPolarHBondContact O-CB 3.5Å; L598-I601 WeakPolarHBondContact O-CG1 3.34Å; L598-I601 PolarHBondContact O-N 2.94Å; R599-I601 VanDerWaalsContact C-N 3.35Å; I601-I604 HydrophobicContact CG2-CG1 4.08Å; I601-I627 HydrophobicContact CD1-CG2 4.29Å; I601-I627 HydrophobicContact CG1-CG2 4.25Å; I601-I627 HydrophobicContact CG2-CG2 3.86Å; I601-F673 HydrophobicContact CD1-CD1 4.42Å; I601-F673 HydrophobicContact CD1-CE1 4.4Å; I601-L677 HydrophobicContact CD1-CD2 4.47Å; I601-V684 HydrophobicContact CB-CG2 4.35Å; I601-V684 HydrophobicContact CG2-CG1 3.7Å; I601-V684 HydrophobicContact CG2-CG2 4.39Å |
| 602 | T | 92.6 | Very high | 84.6 | Confident | 63 Ų | 63 | 36.4 Ų | 36.4 | 39% | 0.387 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -34.2 | -179.4 | 53.8 | 0 | 0 | 0 | 0 | 113 | S628 V630 P685 | T602-S628 PolarHBondContact N-O 2.83Å; T602-S628 WeakPolarHBondContact OG1-CB 3.28Å; T602-S628 PolarHBondContact OG1-O 3.28Å; T602-V630 HydrophobicContact CG2-CG2 3.6Å; T602-P685 VanDerWaalsContact O-CD 3.3Å; T602-P685 WeakPolarHBondContact O-CD 3.4Å; T602-P685 WeakPolarHBondContact O-CG 3.26Å |
| 603 | K | 93.3 | Very high | 84.2 | Confident | 79 Ų | 79 | 35.2 Ų | 35.2 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 153.9 | 176.7 | 58.8 | 175 | -176 | 164.8 | 0 | 111.7 | E605 S628 P685 | K603-E605 HydrophobicContact CD-CG 4.15Å; K603-E605 WeakPolarHBondContact CE-OE1 3.49Å; K603-E605 HydrophobicContact CG-CG 4.48Å; K603-E605 VanDerWaalsContact NZ-CD 3.28Å; K603-E605 IonicContact NZ-OE1 3.95Å; K603-E605 PolarHBondContact NZ-OE1 2.75Å; K603-E605 IonicContact NZ-OE2 3.09Å; K603-E605 PolarHBondContact NZ-OE2 2.94Å; K603-S628 WeakPolarHBondContact CE-OG 3.44Å; K603-S628 PolarHBondContact N-O 3.11Å; K603-S628 PolarHBondContact O-N 3.32Å; K603-P685 WeakPolarHBondContact CA-O 3.49Å; K603-P685 HydrophobicContact CB-CG 3.91Å |
| 604 | I | 95.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.4 | 171.5 | -56.4 | 179 | 0 | 0 | 0 | 108.1 | I601 I625 R626 I627 V670 F673 L677 V684 P685 I686 T687 | I601-I604 HydrophobicContact CG2-CG1 4.08Å; I604-I625 HydrophobicContact CG2-CG2 4.13Å; I604-R626 WeakPolarHBondContact CA-O 3.29Å; I604-I627 HydrophobicContact CG1-CG1 4.23Å; I604-I627 HydrophobicContact CG1-CG2 4.45Å; I604-I627 HydrophobicContact CG2-CG1 4.31Å; I604-V670 HydrophobicContact CG2-CG1 4.35Å; I604-V670 HydrophobicContact CG2-CG2 4.39Å; I604-F673 HydrophobicContact CD1-CB 3.98Å; I604-F673 HydrophobicContact CD1-CD1 4.25Å; I604-F673 HydrophobicContact CD1-CG 4.35Å; I604-L677 HydrophobicContact CD1-CD1 3.98Å; I604-V684 HydrophobicContact CG1-CG1 4.26Å; I604-P685 PolarHBondContact N-O 2.91Å; I604-I686 HydrophobicContact CB-CG1 4.19Å; I604-I686 HydrophobicContact CB-CG2 4.42Å; I604-I686 HydrophobicContact CD1-CD1 4.49Å; I604-I686 HydrophobicContact CD1-CG1 4.5Å; I604-I686 HydrophobicContact CG2-CG2 4.42Å; I604-I686 VanDerWaalsContact O-CA 3.29Å; I604-I686 WeakPolarHBondContact O-CA 3.4Å; I604-T687 PolarHBondContact O-N 3.11Å |
| 605 | E | 93.9 | Very high | 82.4 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.3 | -177.3 | -52.6 | 179.8 | 126.3 | 0 | 0 | 109.5 | K603 I625 R626 T687 Y689 L692 | K603-E605 HydrophobicContact CD-CG 4.15Å; K603-E605 WeakPolarHBondContact CE-OE1 3.49Å; K603-E605 HydrophobicContact CG-CG 4.48Å; K603-E605 VanDerWaalsContact NZ-CD 3.28Å; K603-E605 IonicContact NZ-OE1 3.95Å; K603-E605 PolarHBondContact NZ-OE1 2.75Å; K603-E605 IonicContact NZ-OE2 3.09Å; K603-E605 PolarHBondContact NZ-OE2 2.94Å; E605-I625 CarbonylContact O-C 3.58Å; E605-R626 HydrophobicContact CB-CB 4.3Å; E605-R626 PolarHBondContact N-O 3.43Å; E605-R626 PolarHBondContact O-N 3.2Å; E605-R626 WeakPolarHBondContact OE2-CD 3.41Å; E605-R626 IonicContact OE2-NH1 3.26Å; E605-T687 WeakPolarHBondContact CA-O 3.18Å; E605-Y689 HydrophobicContact CB-CD2 4.13Å; E605-Y689 HydrophobicContact CB-CE2 3.92Å; E605-Y689 HydrophobicContact CG-CE2 3.82Å; E605-Y689 WeakPolarHBondContact OE1-CE2 3.49Å; E605-Y689 PolarHBondContact OE1-OH 2.67Å; E605-L692 HydrophobicContact CB-CD2 3.84Å |
| 606 | V | 91.8 | Very high | 80.9 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.2 | 179 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | T623 C624 L667 V670 T687 T688 Y689 | V606-T623 HydrophobicContact CG1-CG2 4.36Å; V606-C624 WeakPolarHBondContact CA-O 3.4Å; V606-L667 HydrophobicContact CG1-CD2 4.06Å; V606-V670 HydrophobicContact CG2-CB 4.46Å; V606-V670 HydrophobicContact CG2-CG1 4.26Å; V606-V670 HydrophobicContact CG2-CG2 3.62Å; V606-T687 PolarHBondContact N-O 2.88Å; V606-T688 CarbonylContact O-C 3.54Å; V606-T688 WeakPolarHBondContact O-CA 3.33Å; V606-Y689 PolarHBondContact O-N 2.88Å |
| 607 | G | 89.5 | Confident | 79.2 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C624 Y689 L692 | G607-C624 PolarHBondContact N-O 3.4Å; G607-C624 VanDerWaalsContact N-O 3.11Å; G607-C624 PolarHBondContact O-N 2.83Å; G607-Y689 WeakPolarHBondContact CA-O 3.4Å; G607-L692 VanDerWaalsContact O-CD1 3.26Å; G607-L692 WeakPolarHBondContact O-CD1 3.28Å |
| 608 | P | 86.8 | Confident | 77.5 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 132.8 | -180 | 27.2 | -32.3 | 0 | 0 | 0 | 111.5 | A622 G690 L692 | P608-A622 WeakPolarHBondContact CA-O 3.43Å; P608-G690 WeakPolarHBondContact CG-O 3.46Å; P608-L692 PolarHBondContact O-N 3.1Å |
| 609 | M | 83.7 | Confident | 76 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.3 | 177.7 | -175.8 | 168.4 | 161 | 0 | 0 | 110.4 | I554 V611 K621 A622 C624 R626 V640 L692 | I554-M609 HydrophobicContact CD1-CE 4.12Å; I554-M609 HydrophobicContact CG1-CE 4.03Å; M609-V611 PolarHBondContact O-N 3.44Å; M609-K621 VanDerWaalsContact O-CA 3.3Å; M609-K621 WeakPolarHBondContact O-CA 3.47Å; M609-A622 PolarHBondContact N-O 2.71Å; M609-A622 PolarHBondContact O-N 2.92Å; M609-C624 HydrophobicContact CB-CB 4.26Å; M609-R626 PolarHBondContact SD-NH2 3.28Å; M609-V640 HydrophobicContact SD-CG1 3.96Å; M609-L692 HydrophobicContact CB-CB 4.23Å |
| 610 | T | 76.5 | Confident | 74.8 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 17% | 0.166 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121.7 | 172.9 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | S612 I613 A618 | T610-S612 WeakPolarHBondContact CG2-O 3.49Å; T610-I613 HydrophobicContact CG2-CG1 3.99Å; T610-A618 HydrophobicContact CG2-CB 3.59Å |
| 611 | V | 70.5 | Confident | 73.9 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 9% | 0.085 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -20.9 | -177.3 | -67.4 | 0 | 0 | 0 | 0 | 113.4 | I555 M609 S620 A622 | I555-V611 PolarHBondContact N-O 3.2Å; M609-V611 PolarHBondContact O-N 3.44Å; V611-S620 WeakPolarHBondContact CG2-OG 3.15Å; V611-S620 PolarHBondContact N-O 3.33Å; V611-S620 VanDerWaalsContact N-O 3.09Å; V611-A622 HydrophobicContact CG1-CB 4.03Å; V611-A622 HydrophobicContact CG2-CB 4.22Å |
| 612 | S | 64.4 | Low | 73.2 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.1 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 112.7 | T610 R619 S620 | T610-S612 WeakPolarHBondContact CG2-O 3.49Å; S612-R619 PolarHBondContact O-N 3.07Å; S612-R619 VanDerWaalsContact O-N 3.11Å; S612-R619 WeakPolarHBondContact OG-CB 3.43Å; S612-S620 PolarHBondContact OG-N 3.28Å; S612-S620 PolarHBondContact OG-OG 2.97Å |
| 613 | I | 55.8 | Low | 72.8 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.7 | 176.4 | -56.1 | 175.2 | 0 | 0 | 0 | 108.5 | I554 N557 T610 | I554-I613 HydrophobicContact CG2-CD1 3.88Å; I554-I613 HydrophobicContact CG2-CG1 4.19Å; N557-I613 PolarHBondContact N-O 3.42Å; N557-I613 VanDerWaalsContact N-O 3.09Å; T610-I613 HydrophobicContact CG2-CG1 3.99Å |
| 614 | T | 49.7 | Very low | 72.7 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 14% | 0.135 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.2 | 175.7 | -45.6 | 0 | 0 | 0 | 0 | 108.3 | A558 G616 F617 R619 | A558-T614 PolarHBondContact O-OG1 3.2Å; A558-T614 VanDerWaalsContact O-OG1 3.12Å; T614-G616 PolarHBondContact O-N 3.35Å; T614-G616 VanDerWaalsContact O-N 3.15Å; T614-F617 PolarHBondContact N-O 2.67Å; T614-F617 VanDerWaalsContact N-O 3.16Å; T614-F617 PolarHBondContact O-N 3.3Å; T614-F617 VanDerWaalsContact O-N 3.1Å; T614-R619 WeakPolarHBondContact OG1-CD 3.45Å |
| 615 | L | 53.9 | Low | 72.6 | Confident | 153 Ų | 153 | 47.7 Ų | 47.7 | 80% | 0.801 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 34.8 | -177.8 | -85.8 | 115.4 | 0 | 0 | 0 | 114.1 | F617 | L615-F617 VanDerWaalsContact C-N 3.27Å; L615-F617 VanDerWaalsContact O-CD2 3.31Å; L615-F617 WeakPolarHBondContact O-CD2 3.34Å; L615-F617 PolarHBondContact O-N 3.49Å |
| 616 | G | 50.8 | Low | 72.5 | Confident | 69 Ų | 69 | 48.3 Ų | 48.3 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -3.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | T614 | T614-G616 PolarHBondContact O-N 3.35Å; T614-G616 VanDerWaalsContact O-N 3.15Å |
| 617 | F | 51.8 | Low | 72.6 | Confident | 162 Ų | 162 | 48.3 Ų | 48.3 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.2 | 175.6 | -62.1 | -81.4 | 0 | 0 | 0 | 111.1 | T614 L615 R619 | T614-F617 PolarHBondContact N-O 2.67Å; T614-F617 VanDerWaalsContact N-O 3.16Å; T614-F617 PolarHBondContact O-N 3.3Å; T614-F617 VanDerWaalsContact O-N 3.1Å; L615-F617 VanDerWaalsContact C-N 3.27Å; L615-F617 VanDerWaalsContact O-CD2 3.31Å; L615-F617 WeakPolarHBondContact O-CD2 3.34Å; L615-F617 PolarHBondContact O-N 3.49Å; F617-R619 PolarHBondContact O-N 3.16Å |
| 618 | A | 55.5 | Low | 72.8 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 54% | 0.537 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 119.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T610 | T610-A618 HydrophobicContact CG2-CB 3.59Å |
| 619 | R | 60.4 | Low | 73.1 | Confident | 169 Ų | 169 | 47 Ų | 47 | 64% | 0.638 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -36.8 | -178.7 | -82.5 | -160.7 | 176 | -172.4 | -0.1 | 113.9 | S612 T614 F617 | S612-R619 PolarHBondContact O-N 3.07Å; S612-R619 VanDerWaalsContact O-N 3.11Å; S612-R619 WeakPolarHBondContact OG-CB 3.43Å; T614-R619 WeakPolarHBondContact OG1-CD 3.45Å; F617-R619 PolarHBondContact O-N 3.16Å |
| 620 | S | 67 | Low | 73.4 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139.9 | 179.1 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | V611 S612 | V611-S620 WeakPolarHBondContact CG2-OG 3.15Å; V611-S620 PolarHBondContact N-O 3.33Å; V611-S620 VanDerWaalsContact N-O 3.09Å; S612-S620 PolarHBondContact OG-N 3.28Å; S612-S620 PolarHBondContact OG-OG 2.97Å |
| 621 | K | 74.1 | Confident | 73.8 | Confident | 113 Ų | 113 | 49.2 Ų | 49.2 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 143 | 168.5 | -65.5 | -175.6 | -179.9 | -175.4 | 0 | 108 | M609 | M609-K621 VanDerWaalsContact O-CA 3.3Å; M609-K621 WeakPolarHBondContact O-CA 3.47Å |
| 622 | A | 79.4 | Confident | 74.2 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P608 M609 V611 C624 R642 | P608-A622 WeakPolarHBondContact CA-O 3.43Å; M609-A622 PolarHBondContact N-O 2.71Å; M609-A622 PolarHBondContact O-N 2.92Å; V611-A622 HydrophobicContact CG1-CB 4.03Å; V611-A622 HydrophobicContact CG2-CB 4.22Å; A622-C624 PolarHBondContact O-N 3.35Å; A622-C624 PolarHBondContact O-SG 3.46Å; A622-R642 HydrophobicContact CB-CB 4.38Å |
| 623 | T | 86.1 | Confident | 75 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 130.6 | 169.8 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | V606 E663 L666 | V606-T623 HydrophobicContact CG1-CG2 4.36Å; T623-E663 HydrophobicContact CG2-CB 4.14Å; T623-E663 HydrophobicContact CG2-CG 4.01Å; T623-L666 HydrophobicContact CG2-CD1 4.04Å; T623-L666 WeakPolarHBondContact O-CD1 3.25Å |
| 624 | C | 90.2 | Very high | 76.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 148.3 | -176.6 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | V606 G607 M609 A622 V640 W641 L692 | V606-C624 WeakPolarHBondContact CA-O 3.4Å; G607-C624 PolarHBondContact N-O 3.4Å; G607-C624 VanDerWaalsContact N-O 3.11Å; G607-C624 PolarHBondContact O-N 2.83Å; M609-C624 HydrophobicContact CB-CB 4.26Å; A622-C624 PolarHBondContact O-N 3.35Å; A622-C624 PolarHBondContact O-SG 3.46Å; C624-V640 HydrophobicContact CB-CG1 4.01Å; C624-W641 CarbonylContact C-O 3.46Å; C624-W641 WeakPolarHBondContact CA-O 3.28Å; C624-W641 WeakPolarHBondContact CB-O 3.38Å; C624-L692 HydrophobicContact CB-CD1 4.15Å; C624-L692 WeakPolarHBondContact O-CD1 3.3Å |
| 625 | I | 92.6 | Very high | 77.9 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.2 | 165 | -57.3 | 165.7 | 0 | 0 | 0 | 107.6 | I604 E605 I627 V640 W641 L666 I669 V670 | I604-I625 HydrophobicContact CG2-CG2 4.13Å; E605-I625 CarbonylContact O-C 3.58Å; I625-I627 HydrophobicContact CG2-CG1 4.07Å; I625-V640 CarbonylContact O-C 3.54Å; I625-V640 VanDerWaalsContact O-CA 3.3Å; I625-V640 WeakPolarHBondContact O-CA 2.98Å; I625-W641 PolarHBondContact N-O 2.89Å; I625-W641 PolarHBondContact O-N 3.34Å; I625-L666 HydrophobicContact CD1-CB 3.78Å; I625-L666 HydrophobicContact CD1-CD2 3.46Å; I625-L666 VanDerWaalsContact CD1-CD2 3.46Å; I625-L666 HydrophobicContact CD1-CG 4.17Å; I625-L666 WeakPolarHBondContact CD1-O 3.35Å; I625-L666 HydrophobicContact CG1-CB 3.86Å; I625-L666 HydrophobicContact CG1-CD2 3.84Å; I625-L666 HydrophobicContact CG1-CG 4.27Å; I625-I669 HydrophobicContact CD1-CB 4.1Å; I625-I669 HydrophobicContact CD1-CG2 4.11Å; I625-V670 HydrophobicContact CD1-CG2 3.76Å; I625-V670 HydrophobicContact CG1-CG2 3.81Å; I625-V670 HydrophobicContact CG2-CG2 4.03Å |
| 626 | R | 92.8 | Very high | 79.4 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 10% | 0.102 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.7 | 171.7 | 177.5 | -179.6 | -54.4 | 167.8 | 1.5 | 110.4 | I604 E605 M609 H639 V640 D693 | I604-R626 WeakPolarHBondContact CA-O 3.29Å; E605-R626 HydrophobicContact CB-CB 4.3Å; E605-R626 PolarHBondContact N-O 3.43Å; E605-R626 PolarHBondContact O-N 3.2Å; E605-R626 WeakPolarHBondContact OE2-CD 3.41Å; E605-R626 IonicContact OE2-NH1 3.26Å; M609-R626 PolarHBondContact SD-NH2 3.28Å; R626-H639 CarbonylContact C-O 3.37Å; R626-H639 VanDerWaalsContact CA-O 3.22Å; R626-H639 WeakPolarHBondContact CA-O 3.24Å; R626-V640 HydrophobicContact CB-CG1 4.49Å; R626-V640 HydrophobicContact CB-CG2 4.3Å; R626-V640 HydrophobicContact CG-CG2 4.01Å; R626-D693 PolarHBondContact NH1-O 3.35Å; R626-D693 VanDerWaalsContact NH1-O 3.1Å; R626-D693 PolarHBondContact NH2-O 2.79Å |
| 627 | I | 94.1 | Very high | 81.2 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.8 | 173.7 | -57.8 | -171.3 | 0 | 0 | 0 | 108.4 | Y578 I601 I604 I625 T638 H639 W641 F673 | Y578-I627 HydrophobicContact CE1-CG2 4.32Å; I601-I627 HydrophobicContact CD1-CG2 4.29Å; I601-I627 HydrophobicContact CG1-CG2 4.25Å; I601-I627 HydrophobicContact CG2-CG2 3.86Å; I604-I627 HydrophobicContact CG1-CG1 4.23Å; I604-I627 HydrophobicContact CG1-CG2 4.45Å; I604-I627 HydrophobicContact CG2-CG1 4.31Å; I625-I627 HydrophobicContact CG2-CG1 4.07Å; I627-T638 WeakPolarHBondContact O-CA 3.13Å; I627-H639 PolarHBondContact N-O 3.02Å; I627-H639 PolarHBondContact O-N 3.11Å; I627-W641 HydrophobicContact CB-CZ3 4.26Å; I627-W641 HydrophobicContact CD1-CZ3 3.89Å; I627-W641 HydrophobicContact CG1-CZ3 3.97Å; I627-F673 HydrophobicContact CD1-CD1 4.09Å; I627-F673 HydrophobicContact CD1-CE1 3.68Å; I627-F673 HydrophobicContact CD1-CE2 4.25Å; I627-F673 HydrophobicContact CD1-CZ 3.77Å |
| 628 | S | 93 | Very high | 83 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.1 | 175.1 | -53 | 0 | 0 | 0 | 0 | 109.9 | T602 K603 F637 | T602-S628 PolarHBondContact N-O 2.83Å; T602-S628 WeakPolarHBondContact OG1-CB 3.28Å; T602-S628 PolarHBondContact OG1-O 3.28Å; K603-S628 WeakPolarHBondContact CE-OG 3.44Å; K603-S628 PolarHBondContact N-O 3.11Å; K603-S628 PolarHBondContact O-N 3.32Å; S628-F637 WeakPolarHBondContact CA-O 3.49Å |
| 629 | Y | 93.3 | Very high | 84.7 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 162.8 | -179.7 | 67.2 | -86 | 0 | 0 | 0 | 111.3 | Y578 Q594 V596 S600 T636 F637 H639 | Y578-Y629 VanDerWaalsContact OH-CD1 3.25Å; Y578-Y629 WeakPolarHBondContact OH-CD1 3.34Å; Q594-Y629 VanDerWaalsContact CD-OH 3.26Å; Q594-Y629 PolarHBondContact NE2-OH 3.06Å; Q594-Y629 PolarHBondContact OE1-OH 3.05Å; V596-Y629 HydrophobicContact CG1-CD1 4.33Å; V596-Y629 HydrophobicContact CG1-CD2 3.75Å; V596-Y629 HydrophobicContact CG1-CE2 4.38Å; V596-Y629 HydrophobicContact CG1-CG 3.73Å; V596-Y629 HydrophobicContact CG2-CD2 4.3Å; V596-Y629 HydrophobicContact CG2-CE1 4.45Å; V596-Y629 HydrophobicContact CG2-CE2 4.09Å; S600-Y629 CarbonylContact O-C 3.55Å; S600-Y629 WeakPolarHBondContact O-CA 3.41Å; S600-Y629 WeakPolarHBondContact O-CB 3.49Å; Y629-T636 WeakPolarHBondContact O-CA 3.16Å; Y629-F637 HydrophobicContact CD1-CB 4.34Å; Y629-F637 HydrophobicContact CD2-CB 4.39Å; Y629-F637 HydrophobicContact CE1-CB 3.7Å; Y629-F637 HydrophobicContact CE2-CB 3.74Å; Y629-F637 HydrophobicContact CE2-CD2 4.23Å; Y629-F637 HydrophobicContact CE2-CG 4.27Å; Y629-F637 PolarHBondContact N-O 3.43Å; Y629-F637 PolarHBondContact O-N 2.79Å; Y629-F637 WeakPolarHBondContact OH-CB 3.37Å; Y629-H639 AromaticContact CE1-CD2 3.73Å; Y629-H639 AromaticContact CE1-CE1 3.44Å; Y629-H639 VanDerWaalsContact CE1-CE1 3.44Å; Y629-H639 WeakPolarHBondContact CE1-CE1 3.33Å; Y629-H639 AromaticContact CE1-CG 3.93Å; Y629-H639 AromaticContact CE1-ND1 3.76Å; Y629-H639 AromaticContact CE1-NE2 3.37Å; Y629-H639 WeakPolarHBondContact CE1-NE2 3.42Å; Y629-H639 AromaticContact CZ-CE1 3.78Å; Y629-H639 AromaticContact CZ-NE2 3.57Å; Y629-H639 PolarHBondContact OH-NE2 3.47Å |
| 630 | V | 90.5 | Very high | 86.1 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.2 | -179.9 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | S600 T602 E635 | S600-V630 WeakPolarHBondContact CB-O 3.34Å; S600-V630 PolarHBondContact O-N 3.09Å; T602-V630 HydrophobicContact CG2-CG2 3.6Å; V630-E635 WeakPolarHBondContact CA-O 3.38Å |
| 631 | N | 83.9 | Confident | 87.2 | Confident | 39 Ų | 39 | 54 Ų | 54 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | trans | -81.7 | 175.9 | 175.6 | 77 | -7.1 | 0 | 0 | 0 | 111.8 | N633 Y634 E635 F637 | N631-N633 PolarHBondContact O-N 3.13Å; N631-N633 VanDerWaalsContact O-N 3.07Å; N631-N633 VanDerWaalsContact OD1-C 3.29Å; N631-N633 WeakPolarHBondContact OD1-CA 3.29Å; N631-N633 WeakPolarHBondContact OD1-CB 3.08Å; N631-N633 PolarHBondContact OD1-N 2.94Å; N631-Y634 PolarHBondContact O-N 3.45Å; N631-Y634 PolarHBondContact OD1-N 3.44Å; N631-Y634 VanDerWaalsContact OD1-N 3.15Å; N631-E635 PolarHBondContact N-O 3.33Å; N631-E635 PolarHBondContact ND2-OE2 2.8Å; N631-E635 VanDerWaalsContact ND2-OE2 3.16Å; N631-E635 WeakPolarHBondContact OD1-CB 3.4Å; N631-E635 PolarHBondContact OD1-N 3.33Å; N631-E635 PolarHBondContact OD1-O 3.39Å; N631-F637 HydrophobicContact CB-CD2 4.19Å; N631-F637 HydrophobicContact CB-CE2 3.96Å; N631-F637 VanDerWaalsContact ND2-CE2 3.29Å; N631-F637 WeakPolarHBondContact ND2-CE2 3.22Å | ||
| 632 | D | 78.6 | Confident | 87.8 | Confident | 150 Ų | 150 | 49.9 Ų | 49.9 | 80% | 0.802 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.6 | 177.6 | -59.1 | -33.8 | 0 | 0 | 0 | 113.7 | Y634 | D632-Y634 VanDerWaalsContact C-N 3.33Š|
| 633 | N | 81.5 | Confident | 87.9 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 64% | 0.636 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 10.4 | 175.8 | -61.3 | -25.4 | 0 | 0 | 0 | 113.1 | N631 E635 | N631-N633 PolarHBondContact O-N 3.13Å; N631-N633 VanDerWaalsContact O-N 3.07Å; N631-N633 VanDerWaalsContact OD1-C 3.29Å; N631-N633 WeakPolarHBondContact OD1-CA 3.29Å; N631-N633 WeakPolarHBondContact OD1-CB 3.08Å; N631-N633 PolarHBondContact OD1-N 2.94Å; N633-E635 HydrophobicContact CB-CG 4.33Å; N633-E635 PolarHBondContact O-N 3.04Å |
| 634 | Y | 81.5 | Confident | 87.1 | Confident | 207 Ų | 207 | 48.5 Ų | 48.5 | 81% | 0.812 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 61.3 | 20 | -176.3 | -57.6 | -86.4 | 0 | 0 | 0 | 114.9 | N631 D632 | N631-Y634 PolarHBondContact O-N 3.45Å; N631-Y634 PolarHBondContact OD1-N 3.44Å; N631-Y634 VanDerWaalsContact OD1-N 3.15Å; D632-Y634 VanDerWaalsContact C-N 3.33Å |
| 635 | E | 84.1 | Confident | 85.8 | Confident | 103 Ų | 103 | 50.6 Ų | 50.6 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | trans | -87.8 | 133.2 | 173.9 | -65 | 172.6 | 152.5 | 0 | 0 | 109.7 | V630 N631 N633 F637 | V630-E635 WeakPolarHBondContact CA-O 3.38Å; N631-E635 PolarHBondContact N-O 3.33Å; N631-E635 PolarHBondContact ND2-OE2 2.8Å; N631-E635 VanDerWaalsContact ND2-OE2 3.16Å; N631-E635 WeakPolarHBondContact OD1-CB 3.4Å; N631-E635 PolarHBondContact OD1-N 3.33Å; N631-E635 PolarHBondContact OD1-O 3.39Å; N633-E635 HydrophobicContact CB-CG 4.33Å; N633-E635 PolarHBondContact O-N 3.04Å; E635-F637 HydrophobicContact CB-CD2 4.4Å; E635-F637 HydrophobicContact CB-CE2 3.58Å; E635-F637 HydrophobicContact CB-CZ 4.12Å; E635-F637 WeakPolarHBondContact O-CD2 2.96Å | ||
| 636 | T | 85.9 | Confident | 84.1 | Confident | 97 Ų | 97 | 52 Ų | 52 | 60% | 0.595 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.1 | 178.2 | -44.5 | 0 | 0 | 0 | 0 | 110.8 | Y629 | Y629-T636 WeakPolarHBondContact O-CA 3.16Å |
| 637 | F | 89.7 | Confident | 82.5 | Confident | 83 Ų | 83 | 53 Ų | 53 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 159.7 | 173.8 | -66.8 | -90.8 | 0 | 0 | 0 | 110.3 | S628 Y629 N631 E635 | S628-F637 WeakPolarHBondContact CA-O 3.49Å; Y629-F637 HydrophobicContact CD1-CB 4.34Å; Y629-F637 HydrophobicContact CD2-CB 4.39Å; Y629-F637 HydrophobicContact CE1-CB 3.7Å; Y629-F637 HydrophobicContact CE2-CB 3.74Å; Y629-F637 HydrophobicContact CE2-CD2 4.23Å; Y629-F637 HydrophobicContact CE2-CG 4.27Å; Y629-F637 PolarHBondContact N-O 3.43Å; Y629-F637 PolarHBondContact O-N 2.79Å; Y629-F637 WeakPolarHBondContact OH-CB 3.37Å; N631-F637 HydrophobicContact CB-CD2 4.19Å; N631-F637 HydrophobicContact CB-CE2 3.96Å; N631-F637 VanDerWaalsContact ND2-CE2 3.29Å; N631-F637 WeakPolarHBondContact ND2-CE2 3.22Å; E635-F637 HydrophobicContact CB-CD2 4.4Å; E635-F637 HydrophobicContact CB-CE2 3.58Å; E635-F637 HydrophobicContact CB-CZ 4.12Å; E635-F637 WeakPolarHBondContact O-CD2 2.96Å |
| 638 | T | 89.5 | Confident | 80.5 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.8 | 177.6 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | I627 | I627-T638 WeakPolarHBondContact O-CA 3.13Å |
| 639 | H | 90.9 | Very high | 78.4 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 139.3 | 162.9 | -61.8 | 161.4 | 0 | 0 | 0 | 109.6 | Y578 Q594 R626 I627 Y629 W641 | Y578-H639 AromaticContact CE2-ND1 3.79Å; Y578-H639 PolarHBondContact OH-ND1 2.95Å; Q594-H639 PolarHBondContact OE1-CE1 3.49Å; Q594-H639 PolarHBondContact OE1-NE2 3.4Å; R626-H639 CarbonylContact C-O 3.37Å; R626-H639 VanDerWaalsContact CA-O 3.22Å; R626-H639 WeakPolarHBondContact CA-O 3.24Å; I627-H639 PolarHBondContact N-O 3.02Å; I627-H639 PolarHBondContact O-N 3.11Å; Y629-H639 AromaticContact CE1-CD2 3.73Å; Y629-H639 AromaticContact CE1-CE1 3.44Å; Y629-H639 VanDerWaalsContact CE1-CE1 3.44Å; Y629-H639 WeakPolarHBondContact CE1-CE1 3.33Å; Y629-H639 AromaticContact CE1-CG 3.93Å; Y629-H639 AromaticContact CE1-ND1 3.76Å; Y629-H639 AromaticContact CE1-NE2 3.37Å; Y629-H639 WeakPolarHBondContact CE1-NE2 3.42Å; Y629-H639 AromaticContact CZ-CE1 3.78Å; Y629-H639 AromaticContact CZ-NE2 3.57Å; Y629-H639 PolarHBondContact OH-NE2 3.47Å; H639-W641 HydrophobicContact CB-CD2 4.17Å; H639-W641 HydrophobicContact CB-CE3 4.01Å; H639-W641 HydrophobicContact CB-CH2 3.12Å; H639-W641 HydrophobicContact CB-CZ2 3.25Å; H639-W641 HydrophobicContact CB-CZ3 3.5Å; H639-W641 AromaticContact CG-CH2 3.6Å; H639-W641 AromaticContact CG-CZ2 3.59Å; H639-W641 AromaticContact ND1-CH2 3.37Å; H639-W641 WeakPolarHBondContact ND1-CH2 3.46Å; H639-W641 AromaticContact ND1-CZ2 3.5Å |
| 640 | V | 90.1 | Very high | 76.2 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 122.9 | -179.8 | -165.5 | 0 | 0 | 0 | 0 | 108.8 | A552 M609 C624 I625 R626 | A552-V640 HydrophobicContact CB-CB 4.27Å; A552-V640 HydrophobicContact CB-CG1 3.81Å; A552-V640 PolarHBondContact N-O 2.91Å; M609-V640 HydrophobicContact SD-CG1 3.96Å; C624-V640 HydrophobicContact CB-CG1 4.01Å; I625-V640 CarbonylContact O-C 3.54Å; I625-V640 VanDerWaalsContact O-CA 3.3Å; I625-V640 WeakPolarHBondContact O-CA 2.98Å; R626-V640 HydrophobicContact CB-CG1 4.49Å; R626-V640 HydrophobicContact CB-CG2 4.3Å; R626-V640 HydrophobicContact CG-CG2 4.01Å |
| 641 | W | 90 | Very high | 73.9 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 1% | 0.011 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.1 | -177.2 | -56.5 | -76.8 | 0 | 0 | 0 | 112.1 | L549 V550 I571 Y578 V580 C624 I625 I627 H639 | L549-W641 HydrophobicContact CB-CB 4.09Å; L549-W641 HydrophobicContact CB-CG 4.42Å; L549-W641 HydrophobicContact CD1-CB 3.76Å; L549-W641 HydrophobicContact CD1-CG 4.13Å; V550-W641 CarbonylContact O-C 3.53Å; V550-W641 VanDerWaalsContact O-CA 3.26Å; V550-W641 WeakPolarHBondContact O-CA 3.25Å; I571-W641 HydrophobicContact CD1-CD2 3.65Å; I571-W641 HydrophobicContact CD1-CE3 3.71Å; I571-W641 HydrophobicContact CD1-CG 4.3Å; I571-W641 HydrophobicContact CD1-CH2 3.56Å; I571-W641 HydrophobicContact CD1-CZ2 3.55Å; I571-W641 HydrophobicContact CD1-CZ3 3.68Å; I571-W641 HydrophobicContact CG1-CH2 4.43Å; I571-W641 HydrophobicContact CG1-CZ2 4.13Å; Y578-W641 HydrophobicContact CE2-CH2 4.05Å; V580-W641 HydrophobicContact CB-CZ2 4.42Å; V580-W641 HydrophobicContact CG1-CZ2 3.8Å; V580-W641 HydrophobicContact CG2-CH2 3.92Å; V580-W641 HydrophobicContact CG2-CZ2 3.67Å; C624-W641 CarbonylContact C-O 3.46Å; C624-W641 WeakPolarHBondContact CA-O 3.28Å; C624-W641 WeakPolarHBondContact CB-O 3.38Å; I625-W641 PolarHBondContact N-O 2.89Å; I625-W641 PolarHBondContact O-N 3.34Å; I627-W641 HydrophobicContact CB-CZ3 4.26Å; I627-W641 HydrophobicContact CD1-CZ3 3.89Å; I627-W641 HydrophobicContact CG1-CZ3 3.97Å; H639-W641 HydrophobicContact CB-CD2 4.17Å; H639-W641 HydrophobicContact CB-CE3 4.01Å; H639-W641 HydrophobicContact CB-CH2 3.12Å; H639-W641 HydrophobicContact CB-CZ2 3.25Å; H639-W641 HydrophobicContact CB-CZ3 3.5Å; H639-W641 AromaticContact CG-CH2 3.6Å; H639-W641 AromaticContact CG-CZ2 3.59Å; H639-W641 AromaticContact ND1-CH2 3.37Å; H639-W641 WeakPolarHBondContact ND1-CH2 3.46Å; H639-W641 AromaticContact ND1-CZ2 3.5Å |
| 642 | R | 86.7 | Confident | 72 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 165.5 | 169.9 | 64.1 | 179.3 | 176 | 95.4 | -10.3 | 109.9 | V550 D564 N565 A622 | V550-R642 HydrophobicContact CB-CG 3.83Å; V550-R642 PolarHBondContact N-O 3.11Å; V550-R642 PolarHBondContact O-N 2.79Å; D564-R642 PolarHBondContact O-NH2 3.12Å; N565-R642 PolarHBondContact OD1-NH1 3.31Å; N565-R642 PolarHBondContact OD1-NH2 2.62Å; A622-R642 HydrophobicContact CB-CB 4.38Å |
| 643 | S | 80.5 | Confident | 70.6 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 142.6 | 174.7 | -164.7 | 0 | 0 | 0 | 0 | 110.7 | N665 | S643-N665 PolarHBondContact OG-ND2 3.14Å; S643-N665 VanDerWaalsContact OG-ND2 3.08Å |
| 644 | A | 69 | Low | 69.6 | Low | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | trans | -77.7 | 169.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V550 M567 T646 | V550-A644 HydrophobicContact CG2-CB 3.93Å; M567-A644 HydrophobicContact CE-CB 4.24Å; M567-A644 HydrophobicContact CG-CB 3.54Å; A644-T646 PolarHBondContact O-N 3.26Å | ||
| 645 | S | 63.8 | Low | 68.7 | Low | 45 Ų | 45 | 48.8 Ų | 48.8 | 32% | 0.315 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -67.1 | -9.5 | 172.9 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | V656 | S645-V656 PolarHBondContact O-N 3.2Š|
| 646 | T | 56.8 | Low | 67.8 | Low | 34 Ų | 34 | 44.6 Ų | 44.6 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136.8 | 177.1 | 5.6 | 0 | 0 | 0 | 0 | 109.1 | M567 A644 V653 I654 T655 | M567-T646 WeakPolarHBondContact CE-O 3.34Å; M567-T646 WeakPolarHBondContact CE-OG1 3.38Å; A644-T646 PolarHBondContact O-N 3.26Å; T646-V653 HydrophobicContact CG2-CG1 3.52Å; T646-I654 CarbonylContact C-O 3.52Å; T646-I654 WeakPolarHBondContact CA-O 3.37Å; T646-T655 HydrophobicContact CG2-CG2 4.09Å |
| 647 | R | 59.5 | Low | 67 | Low | 48 Ų | 48 | 46.4 Ų | 46.4 | 18% | 0.181 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 150.3 | 176.5 | 67.8 | 175.4 | -178.4 | 145.6 | -4.5 | 111 | V653 I654 V656 N665 | R647-V653 WeakPolarHBondContact O-CA 3.48Å; R647-I654 HydrophobicContact CG-CB 3.87Å; R647-I654 PolarHBondContact N-O 2.86Å; R647-I654 PolarHBondContact O-N 3.15Å; R647-V656 HydrophobicContact CB-CG2 3.93Å; R647-V656 HydrophobicContact CG-CG2 3.77Å; R647-N665 VanDerWaalsContact CD-CG 3.5Å; R647-N665 VanDerWaalsContact CD-OD1 3.28Å; R647-N665 WeakPolarHBondContact CD-OD1 3.33Å |
| 648 | F | 52.7 | Low | 66.4 | Low | 33 Ų | 33 | 44.4 Ų | 44.4 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.1 | 170.9 | -72.9 | -91.1 | 0 | 0 | 0 | 108.9 | M525 V529 A548 M567 V652 V653 | M525-F648 HydrophobicContact CB-CE1 3.9Å; M525-F648 HydrophobicContact CB-CZ 4.34Å; M525-F648 HydrophobicContact SD-CE1 4.13Å; M525-F648 HydrophobicContact SD-CZ 3.8Å; V529-F648 HydrophobicContact CG2-CE1 4.4Å; A548-F648 HydrophobicContact CB-CD2 4.4Å; A548-F648 HydrophobicContact CB-CE2 4.49Å; M567-F648 HydrophobicContact CE-CE2 4.2Å; M567-F648 HydrophobicContact SD-CE2 4.26Å; F648-V652 WeakPolarHBondContact CA-O 3.17Å; F648-V653 HydrophobicContact CD1-CG2 3.83Å; F648-V653 HydrophobicContact CE1-CG2 3.36Å; F648-V653 HydrophobicContact CZ-CG2 3.9Å |
| 649 | F | 48.8 | Very low | 65.6 | Low | 95 Ų | 95 | 47.5 Ų | 47.5 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121 | 177.8 | -174.1 | -98 | 0 | 0 | 0 | 110.1 | G651 V652 I654 | F649-G651 PolarHBondContact O-N 3.2Å; F649-V652 PolarHBondContact N-O 2.89Å; F649-V652 WeakPolarHBondContact O-CB 3.49Å; F649-V652 PolarHBondContact O-N 2.99Å; F649-I654 HydrophobicContact CB-CD1 3.97Å |
| 650 | N | 47.6 | Very low | 65 | Low | 123 Ų | 123 | 53.3 Ų | 53.3 | 66% | 0.658 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 31.7 | -175.3 | -76.3 | -13.4 | 0 | 0 | 0 | 114.3 | R526 | R526-N650 PolarHBondContact NH1-O 3.29Å; R526-N650 PolarHBondContact NH2-O 3.13Å |
| 651 | G | 42.2 | Very low | 64.5 | Low | 19 Ų | 19 | 56.5 Ų | 56.5 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 11.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R526 F649 | R526-G651 WeakPolarHBondContact CB-O 3.25Å; F649-G651 PolarHBondContact O-N 3.2Å |
| 652 | V | 42.4 | Very low | 64 | Low | 61 Ų | 61 | 57.1 Ų | 57.1 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 137.9 | 172.8 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | E522 F648 F649 I654 | E522-V652 WeakPolarHBondContact OE2-CG1 3.42Å; F648-V652 WeakPolarHBondContact CA-O 3.17Å; F649-V652 PolarHBondContact N-O 2.89Å; F649-V652 WeakPolarHBondContact O-CB 3.49Å; F649-V652 PolarHBondContact O-N 2.99Å; V652-I654 HydrophobicContact CB-CG1 4.45Å; V652-I654 HydrophobicContact CG1-CG1 3.93Å |
| 653 | V | 50.7 | Low | 63.9 | Low | 15 Ų | 15 | 59.6 Ų | 59.6 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 111.5 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | E522 M525 T646 R647 F648 | E522-V653 HydrophobicContact CB-CG2 4.45Å; E522-V653 HydrophobicContact CG-CB 4.06Å; E522-V653 HydrophobicContact CG-CG2 4.29Å; M525-V653 HydrophobicContact CB-CG2 4.43Å; M525-V653 HydrophobicContact SD-CG2 3.88Å; T646-V653 HydrophobicContact CG2-CG1 3.52Å; R647-V653 WeakPolarHBondContact O-CA 3.48Å; F648-V653 HydrophobicContact CD1-CG2 3.83Å; F648-V653 HydrophobicContact CE1-CG2 3.36Å; F648-V653 HydrophobicContact CZ-CG2 3.9Å |
| 654 | I | 59.3 | Low | 64.1 | Low | 54 Ų | 54 | 65.2 Ų | 65.2 | 28% | 0.277 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.9 | -178 | -54.2 | 173.7 | 0 | 0 | 0 | 107.8 | T646 R647 F649 V652 | T646-I654 CarbonylContact C-O 3.52Å; T646-I654 WeakPolarHBondContact CA-O 3.37Å; R647-I654 HydrophobicContact CG-CB 3.87Å; R647-I654 PolarHBondContact N-O 2.86Å; R647-I654 PolarHBondContact O-N 3.15Å; F649-I654 HydrophobicContact CB-CD1 3.97Å; V652-I654 HydrophobicContact CB-CG1 4.45Å; V652-I654 HydrophobicContact CG1-CG1 3.93Å |
| 655 | T | 63.2 | Low | 64.7 | Low | 76 Ų | 76 | 65.3 Ų | 65.3 | 47% | 0.466 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 136.7 | 170.1 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | T646 D657 | T646-T655 HydrophobicContact CG2-CG2 4.09Å; T655-D657 PolarHBondContact OG1-OD2 3.48Å |
| 656 | V | 64.3 | Low | 65.9 | Low | 15 Ų | 15 | 63.1 Ų | 63.1 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | trans | -105.1 | 98.6 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 106 | S645 R647 E661 A662 | S645-V656 PolarHBondContact O-N 3.2Å; R647-V656 HydrophobicContact CB-CG2 3.93Å; R647-V656 HydrophobicContact CG-CG2 3.77Å; V656-E661 HydrophobicContact CG1-CB 3.93Å; V656-A662 HydrophobicContact CG1-CB 3.74Å | ||
| 657 | D | 70.1 | Confident | 67.4 | Low | 135 Ų | 135 | 64.9 Ų | 64.9 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | trans | -99.4 | -14.6 | -169.7 | -65.3 | -38.7 | 0 | 0 | 0 | 112 | T655 E661 | T655-D657 PolarHBondContact OG1-OD2 3.48Å; D657-E661 PolarHBondContact N-OE2 2.67Å | ||
| 658 | S | 75.6 | Confident | 68.8 | Low | 41 Ų | 41 | 64.4 Ų | 64.4 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -123.9 | 155.4 | 178.9 | 78 | 0 | 0 | 0 | 0 | 113.5 | E660 E661 A662 | S658-E660 PolarHBondContact O-N 3.36Å; S658-E661 PolarHBondContact O-N 3.21Å; S658-E661 WeakPolarHBondContact OG-CB 3.27Å; S658-E661 VanDerWaalsContact OG-CG 3.27Å; S658-E661 WeakPolarHBondContact OG-CG 3.31Å; S658-E661 PolarHBondContact OG-N 2.86Å; S658-A662 PolarHBondContact O-N 3.05Å; S658-A662 VanDerWaalsContact O-N 3.13Å |
| 659 | N | 74.1 | Confident | 70.5 | Confident | 128 Ų | 128 | 63 Ų | 63 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.4 | -28.3 | 173.3 | -77.5 | -31.4 | 0 | 0 | 0 | 112.3 | A662 E663 | N659-A662 WeakPolarHBondContact O-CB 3.32Å; N659-A662 PolarHBondContact O-N 3.08Å; N659-E663 PolarHBondContact O-N 3.34Å |
| 660 | E | 78.8 | Confident | 72.6 | Confident | 148 Ų | 148 | 58.8 Ų | 58.8 | 69% | 0.692 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.5 | -47.5 | 178.1 | -69.2 | 157.6 | -171.3 | 0 | 0 | 110.1 | S658 A662 E663 E664 | S658-E660 PolarHBondContact O-N 3.36Å; E660-A662 VanDerWaalsContact C-N 3.29Å; E660-A662 PolarHBondContact O-N 3.36Å; E660-E663 PolarHBondContact O-N 2.91Å; E660-E663 VanDerWaalsContact O-N 3.14Å; E660-E664 WeakPolarHBondContact O-CG 3.42Å; E660-E664 PolarHBondContact O-N 3.48Å |
| 661 | E | 78.4 | Confident | 74.7 | Confident | 73 Ų | 73 | 57 Ų | 57 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 173.6 | -74.3 | 171.5 | -178.4 | 0 | 0 | 112.2 | V656 D657 S658 E663 E664 N665 | V656-E661 HydrophobicContact CG1-CB 3.93Å; D657-E661 PolarHBondContact N-OE2 2.67Å; S658-E661 PolarHBondContact O-N 3.21Å; S658-E661 WeakPolarHBondContact OG-CB 3.27Å; S658-E661 VanDerWaalsContact OG-CG 3.27Å; S658-E661 WeakPolarHBondContact OG-CG 3.31Å; S658-E661 PolarHBondContact OG-N 2.86Å; E661-E663 VanDerWaalsContact C-N 3.34Å; E661-E664 PolarHBondContact O-N 3.17Å; E661-N665 VanDerWaalsContact O-CB 3.27Å; E661-N665 WeakPolarHBondContact O-CB 3.33Å; E661-N665 PolarHBondContact O-N 3.46Å |
| 662 | A | 79.5 | Confident | 77 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V656 S658 N659 E660 L666 | V656-A662 HydrophobicContact CG1-CB 3.74Å; S658-A662 PolarHBondContact O-N 3.05Å; S658-A662 VanDerWaalsContact O-N 3.13Å; N659-A662 WeakPolarHBondContact O-CB 3.32Å; N659-A662 PolarHBondContact O-N 3.08Å; E660-A662 VanDerWaalsContact C-N 3.29Å; E660-A662 PolarHBondContact O-N 3.36Å; A662-L666 VanDerWaalsContact O-CG 3.29Å; A662-L666 WeakPolarHBondContact O-CG 3.41Å; A662-L666 PolarHBondContact O-N 2.77Å |
| 663 | E | 84.3 | Confident | 79.5 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.6 | -47 | 175.8 | 173.4 | 161.1 | -165.4 | 0 | 0 | 111.9 | T623 N659 E660 E661 N665 L666 L667 | T623-E663 HydrophobicContact CG2-CB 4.14Å; T623-E663 HydrophobicContact CG2-CG 4.01Å; N659-E663 PolarHBondContact O-N 3.34Å; E660-E663 PolarHBondContact O-N 2.91Å; E660-E663 VanDerWaalsContact O-N 3.14Å; E661-E663 VanDerWaalsContact C-N 3.34Å; E663-N665 VanDerWaalsContact C-N 3.28Å; E663-N665 PolarHBondContact O-N 3.24Å; E663-L666 PolarHBondContact O-N 2.81Å; E663-L666 VanDerWaalsContact O-N 3.14Å; E663-L667 HydrophobicContact CG-CD1 4Å; E663-L667 HydrophobicContact CG-CG 4.44Å; E663-L667 WeakPolarHBondContact O-CG 3.41Å; E663-L667 PolarHBondContact O-N 3.23Å |
| 664 | E | 84.6 | Confident | 81.5 | Confident | 127 Ų | 127 | 60.2 Ų | 60.2 | 59% | 0.593 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.3 | -42.8 | 175.5 | -73.5 | -175.4 | 174.9 | 0 | 0 | 112 | E660 E661 L666 L667 A668 | E660-E664 WeakPolarHBondContact O-CG 3.42Å; E660-E664 PolarHBondContact O-N 3.48Å; E661-E664 PolarHBondContact O-N 3.17Å; E664-L666 VanDerWaalsContact C-N 3.35Å; E664-L666 PolarHBondContact O-N 3.14Å; E664-L667 PolarHBondContact O-N 3.46Å; E664-A668 WeakPolarHBondContact O-CB 3.27Å; E664-A668 PolarHBondContact O-N 3.13Å |
| 665 | N | 83.1 | Confident | 83 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.032 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 176.6 | -175.6 | 44.1 | 0 | 0 | 0 | 111.7 | S643 R647 E661 E663 A668 I669 | S643-N665 PolarHBondContact OG-ND2 3.14Å; S643-N665 VanDerWaalsContact OG-ND2 3.08Å; R647-N665 VanDerWaalsContact CD-CG 3.5Å; R647-N665 VanDerWaalsContact CD-OD1 3.28Å; R647-N665 WeakPolarHBondContact CD-OD1 3.33Å; E661-N665 VanDerWaalsContact O-CB 3.27Å; E661-N665 WeakPolarHBondContact O-CB 3.33Å; E661-N665 PolarHBondContact O-N 3.46Å; E663-N665 VanDerWaalsContact C-N 3.28Å; E663-N665 PolarHBondContact O-N 3.24Å; N665-A668 PolarHBondContact O-N 3.47Å; N665-I669 WeakPolarHBondContact O-CG1 3.43Å; N665-I669 PolarHBondContact O-N 3.4Å; N665-I669 VanDerWaalsContact O-N 3.15Å |
| 666 | L | 88.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 178.7 | -69.8 | 173.4 | 0 | 0 | 0 | 112.1 | L549 T623 I625 A662 E663 E664 A668 I669 V670 | L549-L666 HydrophobicContact CD2-CD2 4.08Å; T623-L666 HydrophobicContact CG2-CD1 4.04Å; T623-L666 WeakPolarHBondContact O-CD1 3.25Å; I625-L666 HydrophobicContact CD1-CB 3.78Å; I625-L666 HydrophobicContact CD1-CD2 3.46Å; I625-L666 VanDerWaalsContact CD1-CD2 3.46Å; I625-L666 HydrophobicContact CD1-CG 4.17Å; I625-L666 WeakPolarHBondContact CD1-O 3.35Å; I625-L666 HydrophobicContact CG1-CB 3.86Å; I625-L666 HydrophobicContact CG1-CD2 3.84Å; I625-L666 HydrophobicContact CG1-CG 4.27Å; A662-L666 VanDerWaalsContact O-CG 3.29Å; A662-L666 WeakPolarHBondContact O-CG 3.41Å; A662-L666 PolarHBondContact O-N 2.77Å; E663-L666 PolarHBondContact O-N 2.81Å; E663-L666 VanDerWaalsContact O-N 3.14Å; E664-L666 VanDerWaalsContact C-N 3.35Å; E664-L666 PolarHBondContact O-N 3.14Å; L666-A668 VanDerWaalsContact C-N 3.33Å; L666-A668 PolarHBondContact O-N 3.03Å; L666-I669 HydrophobicContact CD2-CD1 4.44Å; L666-I669 WeakPolarHBondContact O-CB 3.33Å; L666-I669 PolarHBondContact O-N 3.08Å; L666-V670 WeakPolarHBondContact O-CG2 3.34Å; L666-V670 PolarHBondContact O-N 2.74Å |
| 667 | L | 88.9 | Confident | 85.8 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 37% | 0.366 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 175.8 | -70.4 | 172.7 | 0 | 0 | 0 | 111.9 | V606 E663 E664 I669 V670 E671 | V606-L667 HydrophobicContact CG1-CD2 4.06Å; E663-L667 HydrophobicContact CG-CD1 4Å; E663-L667 HydrophobicContact CG-CG 4.44Å; E663-L667 WeakPolarHBondContact O-CG 3.41Å; E663-L667 PolarHBondContact O-N 3.23Å; E664-L667 PolarHBondContact O-N 3.46Å; L667-I669 VanDerWaalsContact C-N 3.32Å; L667-I669 PolarHBondContact O-N 2.83Å; L667-V670 PolarHBondContact O-N 3.12Å; L667-E671 PolarHBondContact O-N 3.43Å |
| 668 | A | 87.4 | Confident | 86.8 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E664 N665 L666 E671 Q672 | E664-A668 WeakPolarHBondContact O-CB 3.27Å; E664-A668 PolarHBondContact O-N 3.13Å; N665-A668 PolarHBondContact O-N 3.47Å; L666-A668 VanDerWaalsContact C-N 3.33Å; L666-A668 PolarHBondContact O-N 3.03Å; A668-E671 PolarHBondContact O-N 2.66Å; A668-Q672 WeakPolarHBondContact O-CG 3.23Å; A668-Q672 PolarHBondContact O-N 2.75Å; A668-Q672 VanDerWaalsContact O-N 3.17Å |
| 669 | I | 89.3 | Confident | 87.4 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 174.3 | -65 | 169.2 | 0 | 0 | 0 | 110.3 | W547 L549 I625 N665 L666 L667 E671 Q672 F673 | W547-I669 HydrophobicContact CB-CD1 3.96Å; W547-I669 HydrophobicContact CD2-CB 4.5Å; W547-I669 HydrophobicContact CD2-CD1 4.2Å; W547-I669 HydrophobicContact CD2-CG1 3.81Å; W547-I669 HydrophobicContact CD2-CG2 4.06Å; W547-I669 HydrophobicContact CE3-CG2 4.03Å; W547-I669 HydrophobicContact CG-CD1 3.68Å; W547-I669 HydrophobicContact CG-CG1 3.71Å; W547-I669 HydrophobicContact CH2-CG2 4.47Å; W547-I669 HydrophobicContact CZ3-CG2 4.22Å; L549-I669 HydrophobicContact CD1-CD1 4.25Å; L549-I669 HydrophobicContact CD2-CD1 3.81Å; L549-I669 HydrophobicContact CG-CD1 4.48Å; I625-I669 HydrophobicContact CD1-CB 4.1Å; I625-I669 HydrophobicContact CD1-CG2 4.11Å; N665-I669 WeakPolarHBondContact O-CG1 3.43Å; N665-I669 PolarHBondContact O-N 3.4Å; N665-I669 VanDerWaalsContact O-N 3.15Å; L666-I669 HydrophobicContact CD2-CD1 4.44Å; L666-I669 WeakPolarHBondContact O-CB 3.33Å; L666-I669 PolarHBondContact O-N 3.08Å; L667-I669 VanDerWaalsContact C-N 3.32Å; L667-I669 PolarHBondContact O-N 2.83Å; I669-E671 VanDerWaalsContact C-N 3.27Å; I669-E671 PolarHBondContact O-N 3.19Å; I669-Q672 WeakPolarHBondContact O-CB 3.44Å; I669-Q672 PolarHBondContact O-N 3.44Å; I669-Q672 VanDerWaalsContact O-N 3.08Å; I669-F673 HydrophobicContact CG2-CD2 3.98Å; I669-F673 HydrophobicContact CG2-CE2 3.97Å; I669-F673 WeakPolarHBondContact O-CD2 3.14Å; I669-F673 PolarHBondContact O-N 3.26Å |
| 670 | V | 92.5 | Very high | 88.1 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -36.3 | 179.3 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | I604 V606 I625 L666 L667 F673 R674 I686 | I604-V670 HydrophobicContact CG2-CG1 4.35Å; I604-V670 HydrophobicContact CG2-CG2 4.39Å; V606-V670 HydrophobicContact CG2-CB 4.46Å; V606-V670 HydrophobicContact CG2-CG1 4.26Å; V606-V670 HydrophobicContact CG2-CG2 3.62Å; I625-V670 HydrophobicContact CD1-CG2 3.76Å; I625-V670 HydrophobicContact CG1-CG2 3.81Å; I625-V670 HydrophobicContact CG2-CG2 4.03Å; L666-V670 WeakPolarHBondContact O-CG2 3.34Å; L666-V670 PolarHBondContact O-N 2.74Å; L667-V670 PolarHBondContact O-N 3.12Å; V670-F673 PolarHBondContact O-N 3.03Å; V670-R674 PolarHBondContact O-N 2.81Å; V670-I686 HydrophobicContact CG1-CD1 4.31Å; V670-I686 HydrophobicContact CG1-CG2 3.53Å |
| 671 | E | 91.7 | Very high | 88.6 | Confident | 85 Ų | 85 | 52 Ų | 52 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -41 | 173.2 | -169.6 | 58.2 | -134.9 | 0 | 0 | 111.9 | L667 A668 I669 F673 R674 V675 | L667-E671 PolarHBondContact O-N 3.43Å; A668-E671 PolarHBondContact O-N 2.66Å; I669-E671 VanDerWaalsContact C-N 3.27Å; I669-E671 PolarHBondContact O-N 3.19Å; E671-F673 VanDerWaalsContact C-N 3.33Å; E671-F673 PolarHBondContact O-N 3.09Å; E671-R674 WeakPolarHBondContact O-CB 3.36Å; E671-R674 PolarHBondContact O-N 3.48Å; E671-R674 VanDerWaalsContact O-N 3.13Å; E671-R674 IonicContact OE1-NH1 2.71Å; E671-R674 IonicContact OE2-CZ 3.31Å; E671-R674 IonicContact OE2-NH1 3.54Å; E671-R674 PolarHBondContact OE2-NH1 2.89Å; E671-V675 WeakPolarHBondContact O-CG2 3.26Å; E671-V675 PolarHBondContact O-N 3.29Å |
| 672 | Q | 90.8 | Very high | 89.3 | Confident | 75 Ų | 75 | 50.6 Ų | 50.6 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 176.2 | -66.3 | -65.6 | -36.7 | 0 | 0 | 112.1 | W547 L573 A668 I669 V675 A676 | W547-Q672 HydrophobicContact CH2-CB 3.8Å; W547-Q672 HydrophobicContact CH2-CG 4.44Å; W547-Q672 HydrophobicContact CZ2-CB 3.75Å; W547-Q672 HydrophobicContact CZ2-CG 3.9Å; L573-Q672 HydrophobicContact CD2-CB 4.35Å; A668-Q672 WeakPolarHBondContact O-CG 3.23Å; A668-Q672 PolarHBondContact O-N 2.75Å; A668-Q672 VanDerWaalsContact O-N 3.17Å; I669-Q672 WeakPolarHBondContact O-CB 3.44Å; I669-Q672 PolarHBondContact O-N 3.44Å; I669-Q672 VanDerWaalsContact O-N 3.08Å; Q672-V675 PolarHBondContact O-N 3.3Å; Q672-A676 WeakPolarHBondContact O-CB 3.37Å; Q672-A676 PolarHBondContact O-N 3.32Å |
| 673 | F | 94.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 170.4 | -89.2 | -93.3 | 0 | 0 | 0 | 112.1 | W547 I571 L573 Y578 I601 I604 I627 I669 V670 E671 V675 A676 L677 | W547-F673 AromaticContact CZ3-CE2 3.99Å; W547-F673 HydrophobicContact CZ3-CE2 3.99Å; I571-F673 HydrophobicContact CG2-CZ 4.25Å; L573-F673 HydrophobicContact CD1-CD1 4.01Å; L573-F673 HydrophobicContact CD1-CE1 3.8Å; L573-F673 HydrophobicContact CD1-CZ 4.14Å; L573-F673 HydrophobicContact CD2-CD1 4.39Å; L573-F673 HydrophobicContact CD2-CD2 4.02Å; L573-F673 HydrophobicContact CD2-CE2 4.27Å; L573-F673 HydrophobicContact CD2-CG 4.09Å; Y578-F673 HydrophobicContact CD1-CE1 4.01Å; Y578-F673 HydrophobicContact CD2-CZ 4.45Å; Y578-F673 AromaticContact CG-CE1 3.95Å; Y578-F673 HydrophobicContact CG-CE1 3.95Å; Y578-F673 HydrophobicContact CG-CZ 4.12Å; I601-F673 HydrophobicContact CD1-CD1 4.42Å; I601-F673 HydrophobicContact CD1-CE1 4.4Å; I604-F673 HydrophobicContact CD1-CB 3.98Å; I604-F673 HydrophobicContact CD1-CD1 4.25Å; I604-F673 HydrophobicContact CD1-CG 4.35Å; I627-F673 HydrophobicContact CD1-CD1 4.09Å; I627-F673 HydrophobicContact CD1-CE1 3.68Å; I627-F673 HydrophobicContact CD1-CE2 4.25Å; I627-F673 HydrophobicContact CD1-CZ 3.77Å; I669-F673 HydrophobicContact CG2-CD2 3.98Å; I669-F673 HydrophobicContact CG2-CE2 3.97Å; I669-F673 WeakPolarHBondContact O-CD2 3.14Å; I669-F673 PolarHBondContact O-N 3.26Å; V670-F673 PolarHBondContact O-N 3.03Å; E671-F673 VanDerWaalsContact C-N 3.33Å; E671-F673 PolarHBondContact O-N 3.09Å; F673-V675 VanDerWaalsContact C-N 3.33Å; F673-V675 PolarHBondContact O-N 3.2Å; F673-A676 PolarHBondContact O-N 3.45Å; F673-L677 WeakPolarHBondContact O-CB 3.5Å; F673-L677 WeakPolarHBondContact O-CD1 3.27Å; F673-L677 WeakPolarHBondContact O-CG 3.43Å; F673-L677 PolarHBondContact O-N 3.04Å |
| 674 | R | 92.9 | Very high | 90.1 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.9 | -46 | 175.5 | -178.7 | -177.8 | -76.1 | 110.9 | -0.4 | 111.1 | V670 E671 L677 N678 I686 | V670-R674 PolarHBondContact O-N 2.81Å; E671-R674 WeakPolarHBondContact O-CB 3.36Å; E671-R674 PolarHBondContact O-N 3.48Å; E671-R674 VanDerWaalsContact O-N 3.13Å; E671-R674 IonicContact OE1-NH1 2.71Å; E671-R674 IonicContact OE2-CZ 3.31Å; E671-R674 IonicContact OE2-NH1 3.54Å; E671-R674 PolarHBondContact OE2-NH1 2.89Å; R674-L677 PolarHBondContact O-N 3.29Å; R674-N678 WeakPolarHBondContact O-CB 3.13Å; R674-N678 PolarHBondContact O-N 2.7Å; R674-N678 PolarHBondContact O-ND2 2.85Å; R674-I686 HydrophobicContact CB-CD1 3.78Å; R674-I686 HydrophobicContact CG-CD1 4.21Å |
| 675 | V | 90.7 | Very high | 90.4 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 33% | 0.333 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | E671 Q672 F673 L677 N678 L679 | E671-V675 WeakPolarHBondContact O-CG2 3.26Å; E671-V675 PolarHBondContact O-N 3.29Å; Q672-V675 PolarHBondContact O-N 3.3Å; F673-V675 VanDerWaalsContact C-N 3.33Å; F673-V675 PolarHBondContact O-N 3.2Å; V675-L677 PolarHBondContact O-N 3.32Å; V675-N678 PolarHBondContact O-N 3.15Å; V675-L679 HydrophobicContact CG1-CD1 4.07Å; V675-L679 HydrophobicContact CG1-CG 4.46Å; V675-L679 WeakPolarHBondContact O-CG 3.39Å; V675-L679 PolarHBondContact O-N 3.37Å |
| 676 | A | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I544 L573 L598 Q672 F673 L679 A680 | I544-A676 HydrophobicContact CD1-CB 3.35Å; L573-A676 HydrophobicContact CD1-CB 3.93Å; L573-A676 HydrophobicContact CD2-CB 3.74Å; L573-A676 HydrophobicContact CG-CB 4Å; L598-A676 HydrophobicContact CD1-CB 4.03Å; Q672-A676 WeakPolarHBondContact O-CB 3.37Å; Q672-A676 PolarHBondContact O-N 3.32Å; F673-A676 PolarHBondContact O-N 3.45Å; A676-L679 PolarHBondContact O-N 3.48Å; A676-A680 WeakPolarHBondContact O-CB 3.45Å; A676-A680 PolarHBondContact O-N 3.42Å |
| 677 | L | 94.4 | Very high | 91 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177.2 | -72.8 | 164.3 | 0 | 0 | 0 | 111.6 | L598 I601 I604 F673 R674 V675 A680 S681 L682 V684 | L598-L677 HydrophobicContact CB-CD2 4.16Å; I601-L677 HydrophobicContact CD1-CD2 4.47Å; I604-L677 HydrophobicContact CD1-CD1 3.98Å; F673-L677 WeakPolarHBondContact O-CB 3.5Å; F673-L677 WeakPolarHBondContact O-CD1 3.27Å; F673-L677 WeakPolarHBondContact O-CG 3.43Å; F673-L677 PolarHBondContact O-N 3.04Å; R674-L677 PolarHBondContact O-N 3.29Å; V675-L677 PolarHBondContact O-N 3.32Å; L677-A680 CarbonylContact O-C 3.47Å; L677-A680 PolarHBondContact O-N 3.39Å; L677-S681 PolarHBondContact O-N 3.01Å; L677-S681 VanDerWaalsContact O-N 3.12Å; L677-L682 HydrophobicContact CB-CB 4.5Å; L677-L682 HydrophobicContact CD2-CB 3.96Å; L677-L682 HydrophobicContact CD2-CD1 4.04Å; L677-L682 PolarHBondContact O-N 2.92Å; L677-V684 HydrophobicContact CD1-CB 3.87Å; L677-V684 HydrophobicContact CD1-CG1 4.38Å; L677-V684 HydrophobicContact CD1-CG2 4.14Å; L677-V684 HydrophobicContact CD2-CB 4.36Å; L677-V684 HydrophobicContact CD2-CG2 3.69Å; L677-V684 HydrophobicContact CG-CG2 4.49Å |
| 678 | N | 91.2 | Very high | 91 | Very high | 108 Ų | 108 | 57.3 Ų | 57.3 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 175.7 | -72.8 | -18.7 | 0 | 0 | 0 | 112 | R674 V675 A680 S681 | R674-N678 WeakPolarHBondContact O-CB 3.13Å; R674-N678 PolarHBondContact O-N 2.7Å; R674-N678 PolarHBondContact O-ND2 2.85Å; V675-N678 PolarHBondContact O-N 3.15Å; N678-A680 VanDerWaalsContact C-N 3.26Å; N678-A680 PolarHBondContact O-N 2.76Å; N678-S681 PolarHBondContact O-N 3.19Å |
| 679 | L | 88.6 | Confident | 90.9 | Very high | 109 Ų | 109 | 60 Ų | 60 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.2 | -34.8 | 174.9 | -72.3 | 172.4 | 0 | 0 | 0 | 112.2 | I544 V675 A676 S681 | I544-L679 HydrophobicContact CD1-CD1 4.49Å; V675-L679 HydrophobicContact CG1-CD1 4.07Å; V675-L679 HydrophobicContact CG1-CG 4.46Å; V675-L679 WeakPolarHBondContact O-CG 3.39Å; V675-L679 PolarHBondContact O-N 3.37Å; A676-L679 PolarHBondContact O-N 3.48Å; L679-S681 PolarHBondContact O-N 3.4Å |
| 680 | A | 88.5 | Confident | 90.4 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 2.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L598 A676 L677 N678 L682 | L598-A680 HydrophobicContact CD1-CB 4.48Å; A676-A680 WeakPolarHBondContact O-CB 3.45Å; A676-A680 PolarHBondContact O-N 3.42Å; L677-A680 CarbonylContact O-C 3.47Å; L677-A680 PolarHBondContact O-N 3.39Å; N678-A680 VanDerWaalsContact C-N 3.26Å; N678-A680 PolarHBondContact O-N 2.76Å; A680-L682 HydrophobicContact CB-CD1 3.8Å; A680-L682 HydrophobicContact CB-CG 3.95Å; A680-L682 PolarHBondContact O-N 3.16Å |
| 681 | S | 90.3 | Very high | 89.9 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 77% | 0.769 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35.2 | -174.7 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | L677 N678 L679 | L677-S681 PolarHBondContact O-N 3.01Å; L677-S681 VanDerWaalsContact O-N 3.12Å; N678-S681 PolarHBondContact O-N 3.19Å; L679-S681 PolarHBondContact O-N 3.4Å |
| 682 | L | 91.8 | Very high | 89.5 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | trans | -105.4 | 126.5 | -179.9 | -64.5 | 172.1 | 0 | 0 | 0 | 110.7 | L598 R599 L677 A680 | L598-L682 VanDerWaalsContact C-CD1 3.44Å; L598-L682 HydrophobicContact CB-CD1 3.67Å; R599-L682 HydrophobicContact CB-CD1 4.16Å; R599-L682 HydrophobicContact CB-CD2 4.13Å; L677-L682 HydrophobicContact CB-CB 4.5Å; L677-L682 HydrophobicContact CD2-CB 3.96Å; L677-L682 HydrophobicContact CD2-CD1 4.04Å; L677-L682 PolarHBondContact O-N 2.92Å; A680-L682 HydrophobicContact CB-CD1 3.8Å; A680-L682 HydrophobicContact CB-CG 3.95Å; A680-L682 PolarHBondContact O-N 3.16Å | ||
| 683 | V | 89.3 | Confident | 88.6 | Confident | 148 Ų | 148 | 66.6 Ų | 66.6 | 90% | 0.897 | 39% | 0.387 | S | S | * | . | trans | -97.7 | 100 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 684 | V | 92 | Very high | 87.2 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | trans | -112.9 | 128.2 | 176.9 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | I601 I604 L677 I686 | I601-V684 HydrophobicContact CB-CG2 4.35Å; I601-V684 HydrophobicContact CG2-CG1 3.7Å; I601-V684 HydrophobicContact CG2-CG2 4.39Å; I604-V684 HydrophobicContact CG1-CG1 4.26Å; L677-V684 HydrophobicContact CD1-CB 3.87Å; L677-V684 HydrophobicContact CD1-CG1 4.38Å; L677-V684 HydrophobicContact CD1-CG2 4.14Å; L677-V684 HydrophobicContact CD2-CB 4.36Å; L677-V684 HydrophobicContact CD2-CG2 3.69Å; L677-V684 HydrophobicContact CG-CG2 4.49Å; V684-I686 PolarHBondContact O-N 3.32Å | ||
| 685 | P | 92 | Very high | 85.2 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 47% | 0.474 | 42% | 0.42 | S | S | . | . | trans | -66.3 | 128.7 | 177.5 | 26.5 | -33.5 | 0 | 0 | 0 | 111 | T602 K603 I604 | T602-P685 VanDerWaalsContact O-CD 3.3Å; T602-P685 WeakPolarHBondContact O-CD 3.4Å; T602-P685 WeakPolarHBondContact O-CG 3.26Å; K603-P685 WeakPolarHBondContact CA-O 3.49Å; K603-P685 HydrophobicContact CB-CG 3.91Å; I604-P685 PolarHBondContact N-O 2.91Å | ||
| 686 | I | 92.1 | Very high | 82.8 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117 | 174 | -52.8 | -176.7 | 0 | 0 | 0 | 107.8 | I604 V670 R674 V684 | I604-I686 HydrophobicContact CB-CG1 4.19Å; I604-I686 HydrophobicContact CB-CG2 4.42Å; I604-I686 HydrophobicContact CD1-CD1 4.49Å; I604-I686 HydrophobicContact CD1-CG1 4.5Å; I604-I686 HydrophobicContact CG2-CG2 4.42Å; I604-I686 VanDerWaalsContact O-CA 3.29Å; I604-I686 WeakPolarHBondContact O-CA 3.4Å; V670-I686 HydrophobicContact CG1-CD1 4.31Å; V670-I686 HydrophobicContact CG1-CG2 3.53Å; R674-I686 HydrophobicContact CB-CD1 3.78Å; R674-I686 HydrophobicContact CG-CD1 4.21Å; V684-I686 PolarHBondContact O-N 3.32Å |
| 687 | T | 91.1 | Very high | 80.4 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.2 | -173.4 | -48 | 0 | 0 | 0 | 0 | 111.6 | I604 E605 V606 Y689 | I604-T687 PolarHBondContact O-N 3.11Å; E605-T687 WeakPolarHBondContact CA-O 3.18Å; V606-T687 PolarHBondContact N-O 2.88Å; T687-Y689 HydrophobicContact CG2-CD2 4.27Å; T687-Y689 HydrophobicContact CG2-CE1 4.17Å; T687-Y689 HydrophobicContact CG2-CE2 3.77Å |
| 688 | T | 88.2 | Confident | 77.4 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 63% | 0.626 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125 | 173.4 | -49.9 | 0 | 0 | 0 | 0 | 109.5 | V606 | V606-T688 CarbonylContact O-C 3.54Å; V606-T688 WeakPolarHBondContact O-CA 3.33Å |
| 689 | Y | 85.5 | Confident | 74.5 | Confident | 97 Ų | 97 | 79.9 Ų | 79.9 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | trans | -110.9 | 143.9 | 179.4 | -67.6 | -85 | 0 | 0 | 0 | 110.8 | E605 V606 G607 T687 Q691 L692 | E605-Y689 HydrophobicContact CB-CD2 4.13Å; E605-Y689 HydrophobicContact CB-CE2 3.92Å; E605-Y689 HydrophobicContact CG-CE2 3.82Å; E605-Y689 WeakPolarHBondContact OE1-CE2 3.49Å; E605-Y689 PolarHBondContact OE1-OH 2.67Å; V606-Y689 PolarHBondContact O-N 2.88Å; G607-Y689 WeakPolarHBondContact CA-O 3.4Å; T687-Y689 HydrophobicContact CG2-CD2 4.27Å; T687-Y689 HydrophobicContact CG2-CE1 4.17Å; T687-Y689 HydrophobicContact CG2-CE2 3.77Å; Y689-Q691 PolarHBondContact O-N 2.9Å; Y689-L692 HydrophobicContact CD2-CD2 3.81Å; Y689-L692 HydrophobicContact CG-CD2 4.38Å | ||
| 690 | G | 80 | Confident | 71.8 | Confident | 76 Ų | 76 | 78.4 Ų | 78.4 | 78% | 0.784 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -64.1 | -22.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P608 | P608-G690 WeakPolarHBondContact CG-O 3.46Š|
| 691 | Q | 81.8 | Confident | 69.2 | Low | 110 Ų | 110 | 81 Ų | 81 | 51% | 0.514 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -156.5 | 128.6 | 170.3 | -171.3 | 165.5 | -15.9 | 0 | 0 | 110.4 | Y689 | Y689-Q691 PolarHBondContact O-N 2.9Š|
| 692 | L | 81.7 | Confident | 66.2 | Low | 6 Ų | 6 | 80.4 Ų | 80.4 | 3% | 0.031 | 47% | 0.473 | C | S | . | . | trans | -80.8 | 131.4 | 174.9 | -73.3 | 177.4 | 0 | 0 | 0 | 110.7 | E605 G607 P608 M609 C624 Y689 G694 | E605-L692 HydrophobicContact CB-CD2 3.84Å; G607-L692 VanDerWaalsContact O-CD1 3.26Å; G607-L692 WeakPolarHBondContact O-CD1 3.28Å; P608-L692 PolarHBondContact O-N 3.1Å; M609-L692 HydrophobicContact CB-CB 4.23Å; C624-L692 HydrophobicContact CB-CD1 4.15Å; C624-L692 WeakPolarHBondContact O-CD1 3.3Å; Y689-L692 HydrophobicContact CD2-CD2 3.81Å; Y689-L692 HydrophobicContact CG-CD2 4.38Å; L692-G694 PolarHBondContact O-N 3.49Å | ||
| 693 | D | 73 | Confident | 63.4 | Low | 114 Ų | 114 | 82 Ų | 82 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | trans | -67.3 | 124 | 178.3 | -110.5 | -14.6 | 0 | 0 | 0 | 111.4 | R626 K695 | R626-D693 PolarHBondContact NH1-O 3.35Å; R626-D693 VanDerWaalsContact NH1-O 3.1Å; R626-D693 PolarHBondContact NH2-O 2.79Å; D693-K695 VanDerWaalsContact C-N 3.32Å | ||
| 694 | G | 63.9 | Low | 60.7 | Low | 28 Ų | 28 | 83 Ų | 83 | 29% | 0.289 | 49% | 0.485 | S | S | . | . | trans | -79.8 | -9.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L692 G696 L697 | L692-G694 PolarHBondContact O-N 3.49Å; G694-G696 VanDerWaalsContact C-N 3.29Å; G694-G696 PolarHBondContact O-N 3.06Å; G694-L697 PolarHBondContact O-N 3.31Å | ||
| 695 | K | 50.6 | Low | 57.7 | Low | 167 Ų | 167 | 85.7 Ų | 85.7 | 73% | 0.726 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20 | -168.4 | -72.5 | 180 | 178.8 | 171.7 | 0 | 114.8 | D693 L697 A698 | D693-K695 VanDerWaalsContact C-N 3.32Å; K695-L697 VanDerWaalsContact C-N 3.32Å; K695-L697 PolarHBondContact O-N 2.69Å; K695-A698 PolarHBondContact O-N 3.05Å |
| 696 | G | 42 | Very low | 54.7 | Low | 56 Ų | 56 | 90.7 Ų | 90.7 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | G694 | G694-G696 VanDerWaalsContact C-N 3.29Å; G694-G696 PolarHBondContact O-N 3.06Å |
| 697 | L | 40 | Very low | 52 | Low | 52 Ų | 52 | 92.8 Ų | 92.8 | 27% | 0.272 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73 | -29.2 | -178.5 | -115.9 | 79.3 | 0 | 0 | 0 | 113 | G694 K695 K699 S700 | G694-L697 PolarHBondContact O-N 3.31Å; K695-L697 VanDerWaalsContact C-N 3.32Å; K695-L697 PolarHBondContact O-N 2.69Å; L697-K699 VanDerWaalsContact C-N 3.29Å; L697-K699 PolarHBondContact O-N 2.86Å; L697-S700 PolarHBondContact O-N 2.94Å; L697-S700 PolarHBondContact O-OG 3.35Å |
| 698 | A | 32.9 | Very low | 49 | Very low | 58 Ų | 58 | 96.5 Ų | 96.5 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.2 | -27.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K695 V701 L702 | K695-A698 PolarHBondContact O-N 3.05Å; A698-V701 PolarHBondContact O-N 2.96Å; A698-L702 PolarHBondContact O-N 2.97Å |
| 699 | K | 29.1 | Very low | 46.1 | Very low | 173 Ų | 173 | 94.3 Ų | 94.3 | 75% | 0.752 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.8 | -29.5 | 178.9 | -92.6 | -175.5 | 176.6 | 178.7 | 0 | 113.2 | L697 V701 A703 | L697-K699 VanDerWaalsContact C-N 3.29Å; L697-K699 PolarHBondContact O-N 2.86Å; K699-V701 VanDerWaalsContact C-N 3.3Å; K699-V701 PolarHBondContact O-N 3.31Å; K699-A703 VanDerWaalsContact O-CB 3.29Å; K699-A703 WeakPolarHBondContact O-CB 3.41Å; K699-A703 PolarHBondContact O-N 3.28Å |
| 700 | S | 31.8 | Very low | 43.6 | Very low | 78 Ų | 78 | 100.1 Ų | 100.1 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.4 | -27 | 176.4 | 79.4 | 0 | 0 | 0 | 0 | 112.3 | L697 | L697-S700 PolarHBondContact O-N 2.94Å; L697-S700 PolarHBondContact O-OG 3.35Å |
| 701 | V | 33.2 | Very low | 41.4 | Very low | 93 Ų | 93 | 105.4 Ų | 105.4 | 56% | 0.564 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -81.6 | -40.9 | 174 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | A698 K699 K704 T705 | A698-V701 PolarHBondContact O-N 2.96Å; K699-V701 VanDerWaalsContact C-N 3.3Å; K699-V701 PolarHBondContact O-N 3.31Å; V701-K704 PolarHBondContact O-N 3.16Å; V701-T705 PolarHBondContact O-N 3.24Å; V701-T705 VanDerWaalsContact O-N 3.17Å; V701-T705 PolarHBondContact O-OG1 3.01Å |
| 702 | L | 27.8 | Very low | 39.2 | Very low | 98 Ų | 98 | 101.5 Ų | 101.5 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.9 | -27.9 | 179.3 | -118.1 | 91.3 | 0 | 0 | 0 | 114.2 | A698 K704 T705 K706 | A698-L702 PolarHBondContact O-N 2.97Å; L702-K704 PolarHBondContact O-N 3.04Å; L702-T705 WeakPolarHBondContact CA-OG1 3.43Å; L702-T705 PolarHBondContact O-N 3.02Å; L702-T705 PolarHBondContact O-OG1 3.08Å; L702-K706 PolarHBondContact O-N 3.17Å |
| 703 | A | 32.5 | Very low | 36.7 | Very low | 78 Ų | 78 | 109 Ų | 109 | 65% | 0.645 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.2 | -27.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | K699 | K699-A703 VanDerWaalsContact O-CB 3.29Å; K699-A703 WeakPolarHBondContact O-CB 3.41Å; K699-A703 PolarHBondContact O-N 3.28Å |
| 704 | K | 33.3 | Very low | 34.7 | Very low | 168 Ų | 168 | 113 Ų | 113 | 73% | 0.73 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.9 | -25.6 | 173.2 | -73.7 | -177.6 | 177 | 178.6 | 0 | 113.3 | V701 L702 | V701-K704 PolarHBondContact O-N 3.16Å; L702-K704 PolarHBondContact O-N 3.04Å |
| 705 | T | 29.4 | Very low | 33.3 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 47% | 0.472 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -94.8 | -22.1 | 179.6 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | V701 L702 A707 F708 | V701-T705 PolarHBondContact O-N 3.24Å; V701-T705 VanDerWaalsContact O-N 3.17Å; V701-T705 PolarHBondContact O-OG1 3.01Å; L702-T705 WeakPolarHBondContact CA-OG1 3.43Å; L702-T705 PolarHBondContact O-N 3.02Å; L702-T705 PolarHBondContact O-OG1 3.08Å; T705-A707 PolarHBondContact O-N 3.17Å; T705-F708 CarbonylContact O-C 3.55Å; T705-F708 WeakPolarHBondContact O-CA 3.17Å; T705-F708 PolarHBondContact O-N 3.1Å |
| 706 | K | 28.1 | Very low | 32.2 | Very low | 179 Ų | 179 | 114.7 Ų | 114.7 | 78% | 0.778 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -14.4 | 171.4 | -90.9 | -168.7 | 176.6 | -175.1 | 0 | 114.1 | L702 F708 | L702-K706 PolarHBondContact O-N 3.17Å; K706-F708 PolarHBondContact O-N 2.98Å |
| 707 | A | 36 | Very low | 31.6 | Very low | 80 Ų | 80 | 115.9 Ų | 115.9 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -7.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T705 | T705-A707 PolarHBondContact O-N 3.17Š|
| 708 | F | 27.4 | Very low | 31.1 | Very low | 136 Ų | 136 | 118.3 Ų | 118.3 | 60% | 0.596 | 67% | 0.668 | S | S | * | * | trans | -116.6 | 79.5 | 179.8 | -77.5 | -88 | 0 | 0 | 0 | 109.8 | T705 K706 | T705-F708 CarbonylContact O-C 3.55Å; T705-F708 WeakPolarHBondContact O-CA 3.17Å; T705-F708 PolarHBondContact O-N 3.1Å; K706-F708 PolarHBondContact O-N 2.98Å | ||
| 709 | G | 27.6 | Very low | 30.9 | Very low | 57 Ų | 57 | 123.6 Ų | 123.6 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | trans | -55.9 | 151.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | E711 G712 | G709-E711 PolarHBondContact O-N 3.37Å; G709-G712 PolarHBondContact O-N 2.95Å; G709-G712 VanDerWaalsContact O-N 3.15Å | ||
| 710 | K | 32.9 | Very low | 30.8 | Very low | 219 Ų | 219 | 123.3 Ų | 123.3 | 95% | 0.952 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 4.6 | -165.6 | -94.9 | -178.2 | 172.8 | -178.5 | 0 | 118 | ||
| 711 | E | 35 | Very low | 30.6 | Very low | 186 Ų | 186 | 123.9 Ų | 123.9 | 87% | 0.869 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -2.4 | 174.3 | -65.6 | -172.6 | 163.9 | 0 | 0 | 113.8 | G709 L713 | G709-E711 PolarHBondContact O-N 3.37Å; E711-L713 PolarHBondContact O-N 3.24Å |
| 712 | G | 34.1 | Very low | 30.3 | Very low | 28 Ų | 28 | 123.6 Ų | 123.6 | 29% | 0.289 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -76.8 | -11.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | G709 Q714 | G709-G712 PolarHBondContact O-N 2.95Å; G709-G712 VanDerWaalsContact O-N 3.15Å; G712-Q714 PolarHBondContact O-N 2.98Å |
| 713 | L | 29.2 | Very low | 30.3 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 86% | 0.859 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -80.5 | -11.7 | -170.1 | -104.3 | 155 | 0 | 0 | 0 | 115 | E711 | E711-L713 PolarHBondContact O-N 3.24Š|
| 714 | Q | 31.4 | Very low | 29.9 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -96.7 | -7.4 | 175 | -83.7 | -175.7 | -9.7 | 0 | 0 | 114.7 | G712 | G712-Q714 PolarHBondContact O-N 2.98Š|
| 715 | A | 34.1 | Very low | 29.5 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 54% | 0.537 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -102.7 | 5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G717 | A715-G717 PolarHBondContact O-N 3.42Š|
| 716 | F | 28 | Very low | 29.3 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -8.1 | -179 | -142.8 | -94.3 | 0 | 0 | 0 | 114 | ||
| 717 | G | 29.6 | Very low | 29.1 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -14.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | A715 | A715-G717 PolarHBondContact O-N 3.42Š|
| 718 | S | 30.4 | Very low | 28.5 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -133.4 | 12.8 | -166 | 57.5 | 0 | 0 | 0 | 0 | 116.9 | ||
| 719 | K | 28.7 | Very low | 28.3 | Very low | 169 Ų | 169 | 142 Ų | 142 | 74% | 0.735 | 78% | 0.775 | S | S | * | * | trans | -125.2 | 26.4 | 179.3 | -115 | 178.8 | -176.7 | 177.6 | 0 | 116.8 | A721 | K719-A721 VanDerWaalsContact C-N 3.25Š| ||
| 720 | L | 25.8 | Very low | 28.2 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -81.7 | 0.5 | 162.7 | -99 | 158.9 | 0 | 0 | 0 | 113.6 | ||
| 721 | A | 28 | Very low | 27.6 | Very low | 90 Ų | 90 | 152.2 Ų | 152.2 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -111.5 | 70.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K719 | K719-A721 VanDerWaalsContact C-N 3.25Š|
| 722 | S | 27.3 | Very low | 27 | Very low | 86 Ų | 86 | 148.8 Ų | 148.8 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | trans | 167.3 | 74.1 | 153.1 | 45.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 723 | V | 27.1 | Very low | 26.6 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -120.6 | 66.7 | 159.7 | -171.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 724 | N | 23.7 | Very low | 26.1 | Very low | 164 Ų | 164 | 154.5 Ų | 154.5 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -123.7 | 115.6 | 158 | -103.3 | -12.4 | 0 | 0 | 0 | 106.9 | ||||
| 725 | G | 24.7 | Very low | 25.7 | Very low | 66 Ų | 66 | 151 Ų | 151 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 85.3 | 104.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 726 | T | 25.7 | Very low | 25.1 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | -175.9 | 81.5 | 127.2 | 19.7 | 0 | 0 | 0 | 0 | 110.5 | R728 | T726-R728 VanDerWaalsContact C-N 3.28Å; T726-R728 PolarHBondContact O-N 3.02Å | |||
| 727 | F | 23.7 | Very low | 24.7 | Very low | 224 Ų | 224 | 154.5 Ų | 154.5 | 98% | 0.982 | 82% | 0.821 | S | S | * | * | trans | -74.2 | 83.4 | 164.9 | -132.9 | -95 | 0 | 0 | 0 | 107.9 | R729 | F727-R729 PolarHBondContact O-N 3.09Š| ||
| 728 | R | 24.5 | Very low | 24.4 | Very low | 230 Ų | 230 | 157.2 Ų | 157.2 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -80.5 | 108.6 | 179.4 | -126.6 | -179.3 | -176.6 | -178.8 | 1.3 | 109.5 | T726 R730 | T726-R728 VanDerWaalsContact C-N 3.28Å; T726-R728 PolarHBondContact O-N 3.02Å; R728-R730 PolarHBondContact O-N 2.7Å | ||
| 729 | R | 22.7 | Very low | 24.1 | Very low | 242 Ų | 242 | 162.2 Ų | 162.2 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -43.5 | 112.7 | 168.7 | -83.2 | 175.7 | 165 | 172.9 | -5.3 | 111.2 | F727 | F727-R729 PolarHBondContact O-N 3.09Š| ||
| 730 | R | 24.6 | Very low | 23.8 | Very low | 250 Ų | 250 | 160.2 Ų | 160.2 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 117.2 | 162.4 | -91.4 | -177.7 | 170.4 | 169.8 | -2.8 | 108.7 | R728 | R728-R730 PolarHBondContact O-N 2.7Š|
| 731 | R | 21 | Very low | 23.5 | Very low | 241 Ų | 241 | 158.1 Ų | 158.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 150.1 | 174.8 | -82.5 | 178.7 | 169.1 | 169.9 | -3 | 111 | ||
| 732 | S | 21.6 | Very low | 23.2 | Very low | 114 Ų | 114 | 161.9 Ų | 161.9 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 131.5 | 178.2 | 51.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 733 | S | 26.2 | Very low | 23.1 | Very low | 123 Ų | 123 | 163.4 Ų | 163.4 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 118.4 | 158.5 | 50.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 734 | K | 20.3 | Very low | 22.8 | Very low | 189 Ų | 189 | 165.1 Ų | 165.1 | 82% | 0.822 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.3 | 176.1 | -87.4 | 176.7 | 173.4 | 178.4 | 0 | 111.9 | ||
| 735 | V | 21.4 | Very low | 22.9 | Very low | 124 Ų | 124 | 164 Ų | 164 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | 69.6 | 119 | 138.2 | -178.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 736 | S | 22.1 | Very low | 22.8 | Very low | 118 Ų | 118 | 168.7 Ų | 168.7 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | -147 | 113.7 | 122.7 | -143.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 737 | K | 20.6 | Very low | 22.9 | Very low | 185 Ų | 185 | 171.2 Ų | 171.2 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | -69.7 | 141.6 | 163.7 | -73.7 | 175.1 | 170.9 | 179.6 | 0 | 107.1 | ||||
| 738 | N | 23.1 | Very low | 22.8 | Very low | 139 Ų | 139 | 166.1 Ų | 166.1 | 74% | 0.743 | 84% | 0.835 | S | S | * | * | trans | -167.7 | 128.1 | 143.2 | -97.5 | -12.5 | 0 | 0 | 0 | 114 | ||||
| 739 | Y | 23.1 | Very low | 23.1 | Very low | 207 Ų | 207 | 161.9 Ų | 161.9 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | 59.7 | 99.8 | 154.1 | -69.1 | -83 | 0 | 0 | 0 | 121.3 | ||||
| 740 | V | 21.6 | Very low | 23.4 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | -63 | 127.1 | 149.1 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | E742 | V740-E742 HydrophobicContact CG1-CG 4.27Š| ||
| 741 | C | 21.5 | Very low | 24.3 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -115.3 | 110.5 | 163.8 | -149.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 742 | E | 20.9 | Very low | 24.7 | Very low | 169 Ų | 169 | 144 Ų | 144 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -72.9 | 125 | 171.7 | -70.8 | 175.5 | 149.1 | 0 | 0 | 108.9 | V740 | V740-E742 HydrophobicContact CG1-CG 4.27Š| ||
| 743 | S | 25.5 | Very low | 25.9 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -129 | 96.5 | 161.1 | 61 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 744 | Q | 21.2 | Very low | 25.9 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -74.6 | 127.5 | 161.1 | -67 | 177.2 | -5.4 | 0 | 0 | 108.5 | ||||
| 745 | T | 25.6 | Very low | 26.3 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -152.8 | 104.9 | 145.7 | 40.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 746 | N | 21.5 | Very low | 26.7 | Very low | 165 Ų | 165 | 141 Ų | 141 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -64.9 | 131.2 | 160.4 | -74.4 | -37 | 0 | 0 | 0 | 108.5 | ||||
| 747 | E | 28.1 | Very low | 26.8 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -146 | 104.7 | 150.9 | -111 | 173.1 | -158.3 | 0 | 0 | 109.4 | ||||
| 748 | S | 22.6 | Very low | 27.1 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -81.3 | 122.1 | 167.8 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 749 | V | 30.4 | Very low | 27.2 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -131.1 | 132.5 | 160.4 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 750 | A | 29.3 | Very low | 27.3 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -77.7 | 169.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 751 | P | 42.7 | Very low | 27.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | trans | -100.1 | 165.8 | -167.5 | 39.1 | -31.5 | 0 | 0 | 0 | 113.3 | ||||
| 752 | N | 28.8 | Very low | 27.8 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | 160.4 | 164.2 | 142.7 | -86.8 | -15.5 | 0 | 0 | 0 | 111.3 | ||||
| 753 | P | 47.5 | Very low | 28 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | cis | -134.1 | 175.3 | -41.9 | 36.8 | -19.6 | 0 | 0 | 0 | 112.4 | ||||
| 754 | T | 26 | Very low | 28.2 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -61.1 | 133.4 | 171.9 | 46.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 755 | D | 30 | Very low | 28.4 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 92% | 0.92 | 81% | 0.812 | S | S | * | * | trans | -151.1 | 144.5 | 152.8 | -80.9 | -38.6 | 0 | 0 | 0 | 104.8 | ||||
| 756 | G | 28.2 | Very low | 28.5 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | cis | 172.3 | 137.7 | 6.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 757 | V | 24.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | -52.7 | 149.4 | -176 | 170.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 758 | C | 26.7 | Very low | 28.5 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | 173.5 | 110.1 | 133.6 | -91.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 759 | R | 25.2 | Very low | 28.6 | Very low | 217 Ų | 217 | 135.1 Ų | 135.1 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | 75.4 | 120.1 | 72.3 | -97.1 | -167.8 | -175.8 | 167.1 | 1.8 | 117.8 | |||||
| 760 | D | 25.1 | Very low | 28.2 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 79.6 | 132.2 | 139.4 | -72 | -23.2 | 0 | 0 | 0 | 124.5 | ||||
| 761 | G | 26.3 | Very low | 28 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 128.1 | 130.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 762 | T | 28.6 | Very low | 27 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | cis | -167 | 142.1 | -0.9 | 23.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 763 | H | 25.4 | Very low | 26.9 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -65 | 138.5 | 172.9 | -90 | -106.4 | 0 | 0 | 0 | 111.9 | ||||
| 764 | N | 28.5 | Very low | 25.7 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -120.4 | 113.4 | 164 | -86.8 | -19.5 | 0 | 0 | 0 | 109.5 | ||||
| 765 | D | 26.2 | Very low | 25.7 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -72.1 | 133.1 | 175.7 | -70 | -46.7 | 0 | 0 | 0 | 111.6 | ||||
| 766 | V | 28 | Very low | 25.3 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -107.7 | 105.5 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | V768 | V766-V768 HydrophobicContact CG1-CG2 4.45Š| ||
| 767 | L | 23.6 | Very low | 25.2 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -75.4 | 119.9 | 171.6 | -88.8 | 145.9 | 0 | 0 | 0 | 110.3 | ||||
| 768 | V | 25.8 | Very low | 25 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | trans | -106.9 | 124.2 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 109 | V766 | V766-V768 HydrophobicContact CG1-CG2 4.45Š| ||
| 769 | P | 24.4 | Very low | 24.9 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | trans | -86.5 | 140.6 | -175.3 | 32.1 | -31.6 | 0 | 0 | 0 | 113.1 | ||||
| 770 | S | 20.6 | Very low | 24.8 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -76.8 | 124.2 | 177.7 | 45.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 771 | I | 26 | Very low | 24.8 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -110.8 | 110.5 | 169.4 | -61.6 | 175 | 0 | 0 | 0 | 108.5 | ||||
| 772 | T | 21.3 | Very low | 24.7 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | trans | -109.4 | 125.2 | 166.9 | 43 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 773 | S | 26.5 | Very low | 24.5 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -151.4 | 120.1 | 151.2 | 48 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 774 | K | 22.2 | Very low | 24.3 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -80.7 | 138.5 | 172.8 | -67 | 170.6 | 170.9 | 179.5 | 0 | 108.4 | ||||
| 775 | E | 26.5 | Very low | 24 | Very low | 196 Ų | 196 | 144.7 Ų | 144.7 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -135.3 | 105.7 | 148.9 | -80.2 | -173.2 | 162.7 | 0 | 0 | 108.3 | ||||
| 776 | T | 22.4 | Very low | 24 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -83.9 | 119.6 | 174 | 33.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 777 | T | 24.5 | Very low | 23.8 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -104.3 | 111.3 | 164.9 | 31.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 778 | E | 21.5 | Very low | 23.7 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -79.2 | 118.9 | 173.1 | -69.1 | 177.7 | 156 | 0 | 0 | 108.8 | ||||
| 779 | E | 25.5 | Very low | 23.7 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -121.2 | 130.7 | 162.8 | -85.3 | -168.8 | 164 | 0 | 0 | 110.7 | ||||
| 780 | V | 23.1 | Very low | 23.7 | Very low | 136 Ų | 136 | 151.1 Ų | 151.1 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -75.2 | 118.3 | -165.9 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 781 | V | 24.5 | Very low | 23.9 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -85 | 110.6 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | G783 | V781-G783 PolarHBondContact O-N 2.96Š| ||
| 782 | V | 24.6 | Very low | 24 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 80% | 0.8 | 84% | 0.837 | S | S | * | * | trans | -80 | 112 | 169.5 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 783 | G | 22.7 | Very low | 24 | Very low | 67 Ų | 67 | 153.4 Ų | 153.4 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | trans | -73.8 | 137.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V781 | V781-G783 PolarHBondContact O-N 2.96Š| ||
| 784 | C | 22.4 | Very low | 24 | Very low | 131 Ų | 131 | 153.4 Ų | 153.4 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | trans | -121.6 | 120.3 | 161 | -97 | 0 | 0 | 0 | 0 | 108 | ||||
| 785 | E | 22.4 | Very low | 24 | Very low | 189 Ų | 189 | 156 Ų | 156 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 144.5 | -176.5 | -70.7 | -179.9 | 146.5 | 0 | 0 | 112.8 | ||
| 786 | P | 24.9 | Very low | 23.8 | Very low | 123 Ų | 123 | 156.6 Ų | 156.6 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 132.9 | -176.6 | 25.4 | -13.1 | 0 | 0 | 0 | 112.5 | Q788 | P786-Q788 PolarHBondContact O-N 3.4Š|
| 787 | K | 24.6 | Very low | 23.8 | Very low | 194 Ų | 194 | 158.9 Ų | 158.9 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.5 | 173.7 | -73.4 | -178.4 | 175 | 178.9 | 0 | 110.9 | ||
| 788 | Q | 20.9 | Very low | 23.7 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -62 | 128.5 | 171.3 | -69.2 | 171.7 | -25.6 | 0 | 0 | 111 | P786 | P786-Q788 PolarHBondContact O-N 3.4Š|
| 789 | Y | 25.8 | Very low | 23.9 | Very low | 219 Ų | 219 | 156.4 Ų | 156.4 | 86% | 0.859 | 84% | 0.842 | S | S | * | * | trans | -110.6 | 127.1 | 161.8 | -88.3 | -85.9 | 0 | 0 | 0 | 108.6 | ||||
| 790 | A | 25.2 | Very low | 23.7 | Very low | 96 Ų | 96 | 155 Ų | 155 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | trans | -72.8 | 134.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 791 | D | 23.8 | Very low | 23.7 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | trans | -88.9 | 121.5 | -174.5 | -143.5 | -4.7 | 0 | 0 | 0 | 110.4 | S793 | D791-S793 PolarHBondContact O-N 2.78Š| ||
| 792 | H | 28.1 | Very low | 23.7 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 82% | 0.819 | 83% | 0.834 | S | S | * | * | trans | -88.1 | 90.5 | 177.4 | -86.9 | -66.3 | 0 | 0 | 0 | 110.6 | S794 | H792-S794 PolarHBondContact O-N 3.2Š| ||
| 793 | S | 22.2 | Very low | 23.5 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | -54.2 | 130.4 | 167.2 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | D791 | D791-S793 PolarHBondContact O-N 2.78Š| ||
| 794 | S | 25.8 | Very low | 23.6 | Very low | 116 Ų | 116 | 157.9 Ų | 157.9 | 81% | 0.811 | 84% | 0.842 | S | S | * | * | trans | -144.6 | 92.4 | 163 | 30.4 | 0 | 0 | 0 | 0 | 112.3 | H792 | H792-S794 PolarHBondContact O-N 3.2Š| ||
| 795 | R | 23.4 | Very low | 23.7 | Very low | 247 Ų | 247 | 159.1 Ų | 159.1 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | trans | 20.7 | 114.2 | 149 | -72.6 | 178.8 | 175.7 | 174 | -1.5 | 120.7 | ||||
| 796 | K | 21.3 | Very low | 23.7 | Very low | 208 Ų | 208 | 157.8 Ų | 157.8 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -25 | 132.9 | 143.6 | -67.1 | 173.6 | 175.4 | 176.7 | 0 | 115.6 | ||||
| 797 | L | 23.3 | Very low | 23.6 | Very low | 175 Ų | 175 | 158.2 Ų | 158.2 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -122.2 | 109 | 150.9 | -91.2 | 158.3 | 0 | 0 | 0 | 108.3 | ||||
| 798 | S | 21.8 | Very low | 23.5 | Very low | 99 Ų | 99 | 155.8 Ų | 155.8 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | trans | -80.8 | 130 | 174.2 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 799 | L | 25.5 | Very low | 23.7 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -116.8 | 99.8 | 163.7 | -90.7 | 150.8 | 0 | 0 | 0 | 108 | ||||
| 800 | N | 21.4 | Very low | 23.7 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -85 | 144.3 | 165.4 | -84.1 | -23 | 0 | 0 | 0 | 109.2 | ||||
| 801 | G | 22.7 | Very low | 23.8 | Very low | 66 Ų | 66 | 149.1 Ų | 149.1 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 142 | 127.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 802 | S | 24.8 | Very low | 23.8 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 63.2 | 112.6 | 156.4 | 53.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 803 | R | 20.9 | Very low | 23.7 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | cis | 61.3 | 135.5 | 47.1 | -111.3 | -169.7 | -173.8 | -173.5 | 1.3 | 115.1 | ||||
| 804 | S | 23.6 | Very low | 23.9 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | 80 | 136.9 | 175.7 | 74.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 805 | D | 25.5 | Very low | 23.9 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | cis | -154.5 | 154.9 | 17.9 | -105.9 | -29.6 | 0 | 0 | 0 | 112 | ||||
| 806 | Q | 22.4 | Very low | 24.1 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -71.8 | 162.4 | 173.3 | -64.3 | 178 | -18.8 | 0 | 0 | 113.1 | ||||
| 807 | N | 22.5 | Very low | 24.3 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 104.4 | 138.1 | 140.1 | -69.9 | -31.5 | 0 | 0 | 0 | 119.9 | ||||
| 808 | L | 23.5 | Very low | 24.4 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | trans | 88.9 | 101 | 156.8 | -64.7 | 147.1 | 0 | 0 | 0 | 116.8 | ||||
| 809 | M | 24.8 | Very low | 24.5 | Very low | 164 Ų | 164 | 145 Ų | 145 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | 173.9 | 112.6 | 92.2 | -85.3 | -57.4 | 172.2 | 0 | 0 | 109.5 | |||||
| 810 | A | 24.7 | Very low | 24.7 | Very low | 100 Ų | 100 | 142 Ų | 142 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 121.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 811 | P | 28.1 | Very low | 25 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 128.4 | 175 | 29.8 | -25 | 0 | 0 | 0 | 110.9 | W813 | P811-W813 PolarHBondContact O-N 2.98Š|
| 812 | S | 24.2 | Very low | 25.4 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 119.9 | 176.5 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 813 | W | 24.5 | Very low | 25.7 | Very low | 243 Ų | 243 | 141 Ų | 141 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | trans | -93.2 | 98.5 | 167.6 | -77.4 | 66.4 | 0 | 0 | 0 | 109.3 | P811 S815 | P811-W813 PolarHBondContact O-N 2.98Å; W813-S815 PolarHBondContact O-N 3.45Å | ||
| 814 | N | 27.3 | Very low | 26.6 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -71.5 | 117.2 | 172.1 | -84.8 | -24.8 | 0 | 0 | 0 | 110.5 | ||||
| 815 | S | 26.5 | Very low | 27.5 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -23.6 | 120.4 | 163.9 | -176.8 | 0 | 0 | 0 | 0 | 116.1 | W813 | W813-S815 PolarHBondContact O-N 3.45Š| ||
| 816 | I | 26.7 | Very low | 28.2 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -91.7 | 111.6 | 156.1 | -68.7 | 170.6 | 0 | 0 | 0 | 106.9 | L818 | I816-L818 PolarHBondContact O-N 3.5Š| ||
| 817 | A | 25.3 | Very low | 28.9 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -67.1 | 109.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 818 | L | 26 | Very low | 29.8 | Very low | 164 Ų | 164 | 123 Ų | 123 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | -92.5 | 116.3 | 162.3 | -87.1 | 158.2 | 0 | 0 | 0 | 108.6 | I816 S820 | I816-L818 PolarHBondContact O-N 3.5Å; L818-S820 PolarHBondContact O-N 3.43Å; L818-S820 VanDerWaalsContact O-N 3.08Å | ||
| 819 | Q | 24.1 | Very low | 31 | Very low | 199 Ų | 199 | 121.3 Ų | 121.3 | 93% | 0.93 | 71% | 0.713 | S | S | * | * | trans | -54.4 | 106.6 | 179.1 | -70.8 | 172.8 | -21.9 | 0 | 0 | 111.1 | ||||
| 820 | S | 29.9 | Very low | 32.2 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -84.1 | 118.3 | 171.8 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | L818 S822 | L818-S820 PolarHBondContact O-N 3.43Å; L818-S820 VanDerWaalsContact O-N 3.08Å; S820-S822 PolarHBondContact O-N 3.36Å | ||
| 821 | G | 28 | Very low | 33.1 | Very low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | trans | -58.9 | 128.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F823 | G821-F823 PolarHBondContact O-N 3.36Å; G821-F823 VanDerWaalsContact O-N 3.12Å | ||
| 822 | S | 30.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | -65 | 108.8 | -178 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | S820 | S820-S822 PolarHBondContact O-N 3.36Š| ||
| 823 | F | 31.2 | Very low | 35.8 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 61% | 0.605 | 68% | 0.676 | S | S | * | * | trans | -64.5 | 142 | 163.7 | -83.9 | -86 | 0 | 0 | 0 | 109.2 | G821 C827 | G821-F823 PolarHBondContact O-N 3.36Å; G821-F823 VanDerWaalsContact O-N 3.12Å; F823-C827 HydrophobicContact CB-CB 4.03Å; F823-C827 HydrophobicContact CD1-CB 3.98Å; F823-C827 HydrophobicContact CG-CB 4.41Å | ||
| 824 | S | 38.9 | Very low | 37.4 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 51% | 0.51 | 65% | 0.646 | S | S | . | * | trans | -58.7 | 149.6 | 177.8 | 78.7 | 0 | 0 | 0 | 0 | 110.4 | S826 C827 Q828 | S824-S826 PolarHBondContact O-N 2.58Å; S824-C827 WeakPolarHBondContact O-CB 3.19Å; S824-C827 PolarHBondContact O-N 3.17Å; S824-Q828 PolarHBondContact O-N 3.37Å | ||
| 825 | S | 43.1 | Very low | 38.4 | Very low | 90 Ų | 90 | 105.6 Ų | 105.6 | 63% | 0.629 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -50 | -30.5 | 179.8 | 53.8 | 0 | 0 | 0 | 0 | 113 | N829 | S825-N829 WeakPolarHBondContact O-CB 3.13Å; S825-N829 PolarHBondContact O-N 2.97Å; S825-N829 PolarHBondContact O-ND2 3.37Å |
| 826 | S | 40.6 | Very low | 39.9 | Very low | 85 Ų | 85 | 106.7 Ų | 106.7 | 59% | 0.594 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.9 | -41.9 | 174.8 | -162.9 | 0 | 0 | 0 | 0 | 113.1 | S824 F830 | S824-S826 PolarHBondContact O-N 2.58Å; S826-F830 WeakPolarHBondContact O-CB 3.46Å; S826-F830 PolarHBondContact O-N 2.86Å |
| 827 | C | 36.7 | Very low | 41.1 | Very low | 54 Ų | 54 | 105.3 Ų | 105.3 | 37% | 0.365 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.1 | -39 | 176.5 | -81.5 | 0 | 0 | 0 | 0 | 111.7 | F823 S824 F830 I831 | F823-C827 HydrophobicContact CB-CB 4.03Å; F823-C827 HydrophobicContact CD1-CB 3.98Å; F823-C827 HydrophobicContact CG-CB 4.41Å; S824-C827 WeakPolarHBondContact O-CB 3.19Å; S824-C827 PolarHBondContact O-N 3.17Å; C827-F830 PolarHBondContact O-N 2.93Å; C827-I831 WeakPolarHBondContact O-CB 3.5Å; C827-I831 VanDerWaalsContact O-CG1 3.25Å; C827-I831 WeakPolarHBondContact O-CG1 3.27Å; C827-I831 PolarHBondContact O-N 3.1Å |
| 828 | Q | 40.8 | Very low | 42 | Very low | 116 Ų | 116 | 106.5 Ų | 106.5 | 54% | 0.542 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.9 | -41.4 | 177 | -119.1 | 155.8 | -3.8 | 0 | 0 | 111.7 | S824 I831 T832 | S824-Q828 PolarHBondContact O-N 3.37Å; Q828-I831 PolarHBondContact O-N 2.96Å; Q828-T832 WeakPolarHBondContact O-CB 3.49Å; Q828-T832 PolarHBondContact O-N 3.39Å; Q828-T832 PolarHBondContact O-OG1 2.86Å |
| 829 | N | 48.6 | Very low | 43 | Very low | 107 Ų | 107 | 104.8 Ų | 104.8 | 57% | 0.572 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.3 | -41.3 | 174 | -74.6 | -16.8 | 0 | 0 | 0 | 112.1 | S825 T832 Q833 | S825-N829 WeakPolarHBondContact O-CB 3.13Å; S825-N829 PolarHBondContact O-N 2.97Å; S825-N829 PolarHBondContact O-ND2 3.37Å; N829-T832 PolarHBondContact O-N 3.29Å; N829-Q833 WeakPolarHBondContact O-CB 3.28Å; N829-Q833 PolarHBondContact O-N 3.33Å |
| 830 | F | 50.2 | Low | 44.4 | Very low | 133 Ų | 133 | 100.5 Ų | 100.5 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.7 | -47.9 | 176 | -175.7 | -101 | 0 | 0 | 0 | 112.1 | S826 C827 T832 Q833 V834 | S826-F830 WeakPolarHBondContact O-CB 3.46Å; S826-F830 PolarHBondContact O-N 2.86Å; C827-F830 PolarHBondContact O-N 2.93Å; F830-T832 VanDerWaalsContact C-N 3.27Å; F830-T832 PolarHBondContact O-N 2.69Å; F830-Q833 PolarHBondContact O-N 3.45Å; F830-V834 HydrophobicContact CD1-CG2 4.05Å; F830-V834 HydrophobicContact CD2-CG2 4.39Å; F830-V834 HydrophobicContact CE1-CG2 3.68Å; F830-V834 HydrophobicContact CE2-CG2 4.04Å; F830-V834 HydrophobicContact CG-CG2 4.4Å; F830-V834 HydrophobicContact CZ-CG2 3.67Å; F830-V834 WeakPolarHBondContact O-CB 3.27Å; F830-V834 VanDerWaalsContact O-CG2 3.31Å; F830-V834 WeakPolarHBondContact O-CG2 3.47Å; F830-V834 PolarHBondContact O-N 2.87Å |
| 831 | I | 44.6 | Very low | 45.2 | Very low | 107 Ų | 107 | 98.9 Ų | 98.9 | 55% | 0.549 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.2 | -40.3 | 176.5 | -68.3 | 165.6 | 0 | 0 | 0 | 110.6 | C827 Q828 G835 | C827-I831 WeakPolarHBondContact O-CB 3.5Å; C827-I831 VanDerWaalsContact O-CG1 3.25Å; C827-I831 WeakPolarHBondContact O-CG1 3.27Å; C827-I831 PolarHBondContact O-N 3.1Å; Q828-I831 PolarHBondContact O-N 2.96Å; I831-G835 PolarHBondContact O-N 3.44Å |
| 832 | T | 50.4 | Low | 45.9 | Very low | 77 Ų | 77 | 98.2 Ų | 98.2 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 177.8 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | Q828 N829 F830 K836 | Q828-T832 WeakPolarHBondContact O-CB 3.49Å; Q828-T832 PolarHBondContact O-N 3.39Å; Q828-T832 PolarHBondContact O-OG1 2.86Å; N829-T832 PolarHBondContact O-N 3.29Å; F830-T832 VanDerWaalsContact C-N 3.27Å; F830-T832 PolarHBondContact O-N 2.69Å; T832-K836 WeakPolarHBondContact O-CG 3.14Å; T832-K836 PolarHBondContact O-N 2.85Å |
| 833 | Q | 58.6 | Low | 46.2 | Very low | 136 Ų | 136 | 98.6 Ų | 98.6 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -46.3 | 175.1 | -91.3 | -174.2 | -25 | 0 | 0 | 112.1 | N829 F830 G835 K836 Q837 | N829-Q833 WeakPolarHBondContact O-CB 3.28Å; N829-Q833 PolarHBondContact O-N 3.33Å; F830-Q833 PolarHBondContact O-N 3.45Å; Q833-G835 VanDerWaalsContact C-N 3.3Å; Q833-G835 PolarHBondContact O-N 3.15Å; Q833-K836 PolarHBondContact O-N 2.81Å; Q833-Q837 WeakPolarHBondContact O-CB 3.24Å; Q833-Q837 PolarHBondContact O-N 2.81Å |
| 834 | V | 56.1 | Low | 46.7 | Very low | 49 Ų | 49 | 99.5 Ų | 99.5 | 30% | 0.297 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | F830 Q837 L838 | F830-V834 HydrophobicContact CD1-CG2 4.05Å; F830-V834 HydrophobicContact CD2-CG2 4.39Å; F830-V834 HydrophobicContact CE1-CG2 3.68Å; F830-V834 HydrophobicContact CE2-CG2 4.04Å; F830-V834 HydrophobicContact CG-CG2 4.4Å; F830-V834 HydrophobicContact CZ-CG2 3.67Å; F830-V834 WeakPolarHBondContact O-CB 3.27Å; F830-V834 VanDerWaalsContact O-CG2 3.31Å; F830-V834 WeakPolarHBondContact O-CG2 3.47Å; F830-V834 PolarHBondContact O-N 2.87Å; V834-Q837 PolarHBondContact O-N 2.91Å; V834-L838 HydrophobicContact CG1-CD1 3.89Å; V834-L838 HydrophobicContact CG1-CG 4.37Å; V834-L838 WeakPolarHBondContact O-CB 3.08Å; V834-L838 WeakPolarHBondContact O-CG 3.27Å; V834-L838 PolarHBondContact O-N 2.83Å |
| 835 | G | 48.8 | Very low | 46.9 | Very low | 34 Ų | 34 | 99.8 Ų | 99.8 | 35% | 0.351 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I831 Q833 Q837 L838 Q839 | I831-G835 PolarHBondContact O-N 3.44Å; Q833-G835 VanDerWaalsContact C-N 3.3Å; Q833-G835 PolarHBondContact O-N 3.15Å; G835-Q837 PolarHBondContact O-N 2.94Å; G835-L838 PolarHBondContact O-N 3.38Å; G835-Q839 VanDerWaalsContact O-CB 3.32Å; G835-Q839 WeakPolarHBondContact O-CB 3.42Å; G835-Q839 PolarHBondContact O-N 2.93Å |
| 836 | K | 59 | Low | 46.6 | Very low | 134 Ų | 134 | 100.6 Ų | 100.6 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 174.7 | -79.1 | -174.6 | 177.9 | -178.6 | 0 | 112.4 | T832 Q833 Q839 Q840 | T832-K836 WeakPolarHBondContact O-CG 3.14Å; T832-K836 PolarHBondContact O-N 2.85Å; Q833-K836 PolarHBondContact O-N 2.81Å; K836-Q839 PolarHBondContact O-N 3.39Å; K836-Q840 WeakPolarHBondContact O-CB 3.28Å; K836-Q840 VanDerWaalsContact O-CG 3.27Å; K836-Q840 WeakPolarHBondContact O-CG 3.16Å; K836-Q840 PolarHBondContact O-N 2.68Å |
| 837 | Q | 50.3 | Low | 46.3 | Very low | 128 Ų | 128 | 99.4 Ų | 99.4 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 175.8 | -105.1 | -177.9 | -13.7 | 0 | 0 | 111.5 | Q833 V834 G835 Q839 Q840 T841 | Q833-Q837 WeakPolarHBondContact O-CB 3.24Å; Q833-Q837 PolarHBondContact O-N 2.81Å; V834-Q837 PolarHBondContact O-N 2.91Å; G835-Q837 PolarHBondContact O-N 2.94Å; Q837-Q839 VanDerWaalsContact C-N 3.33Å; Q837-Q839 PolarHBondContact O-N 3.49Å; Q837-Q840 PolarHBondContact O-N 3.35Å; Q837-T841 VanDerWaalsContact O-CB 3.3Å; Q837-T841 WeakPolarHBondContact O-CB 3.1Å; Q837-T841 PolarHBondContact O-N 2.93Å; Q837-T841 PolarHBondContact O-OG1 2.94Å |
| 838 | L | 45.4 | Very low | 46.1 | Very low | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 176.3 | -79.5 | 167.8 | 0 | 0 | 0 | 111.6 | V834 G835 T841 A842 | V834-L838 HydrophobicContact CG1-CD1 3.89Å; V834-L838 HydrophobicContact CG1-CG 4.37Å; V834-L838 WeakPolarHBondContact O-CB 3.08Å; V834-L838 WeakPolarHBondContact O-CG 3.27Å; V834-L838 PolarHBondContact O-N 2.83Å; G835-L838 PolarHBondContact O-N 3.38Å; L838-T841 PolarHBondContact O-N 2.81Å; L838-A842 VanDerWaalsContact O-CB 3.24Å; L838-A842 WeakPolarHBondContact O-CB 3.14Å; L838-A842 PolarHBondContact O-N 2.8Å |
| 839 | Q | 46.9 | Very low | 45.8 | Very low | 128 Ų | 128 | 100.6 Ų | 100.6 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.9 | -38.9 | 178.1 | -149.4 | 169.1 | 16 | 0 | 0 | 111.7 | G835 K836 Q837 Q843 | G835-Q839 VanDerWaalsContact O-CB 3.32Å; G835-Q839 WeakPolarHBondContact O-CB 3.42Å; G835-Q839 PolarHBondContact O-N 2.93Å; K836-Q839 PolarHBondContact O-N 3.39Å; Q837-Q839 VanDerWaalsContact C-N 3.33Å; Q837-Q839 PolarHBondContact O-N 3.49Å; Q839-Q843 VanDerWaalsContact O-CB 3.27Å; Q839-Q843 WeakPolarHBondContact O-CB 3.44Å; Q839-Q843 VanDerWaalsContact O-CG 3.25Å; Q839-Q843 WeakPolarHBondContact O-CG 3.04Å; Q839-Q843 PolarHBondContact O-N 3.02Å |
| 840 | Q | 52.8 | Low | 45.1 | Very low | 109 Ų | 109 | 99.1 Ų | 99.1 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 172.1 | -76.3 | 179.2 | 0.7 | 0 | 0 | 112.4 | K836 Q837 K844 | K836-Q840 WeakPolarHBondContact O-CB 3.28Å; K836-Q840 VanDerWaalsContact O-CG 3.27Å; K836-Q840 WeakPolarHBondContact O-CG 3.16Å; K836-Q840 PolarHBondContact O-N 2.68Å; Q837-Q840 PolarHBondContact O-N 3.35Å; Q840-K844 VanDerWaalsContact O-CB 3.26Å; Q840-K844 WeakPolarHBondContact O-CB 3.42Å; Q840-K844 VanDerWaalsContact O-CG 3.27Å; Q840-K844 WeakPolarHBondContact O-CG 3.41Å; Q840-K844 PolarHBondContact O-N 2.94Å |
| 841 | T | 46.8 | Very low | 44.2 | Very low | 81 Ų | 81 | 98.7 Ų | 98.7 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.9 | -46.2 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 109 | Q837 L838 Q843 K844 T845 | Q837-T841 VanDerWaalsContact O-CB 3.3Å; Q837-T841 WeakPolarHBondContact O-CB 3.1Å; Q837-T841 PolarHBondContact O-N 2.93Å; Q837-T841 PolarHBondContact O-OG1 2.94Å; L838-T841 PolarHBondContact O-N 2.81Å; T841-Q843 VanDerWaalsContact C-N 3.34Å; T841-Q843 PolarHBondContact O-N 3.37Å; T841-K844 CarbonylContact O-C 3.52Å; T841-K844 PolarHBondContact O-N 3.07Å; T841-K844 VanDerWaalsContact O-N 3.1Å; T841-T845 WeakPolarHBondContact O-CB 3.05Å; T841-T845 PolarHBondContact O-N 2.66Å; T841-T845 PolarHBondContact O-OG1 3.07Å |
| 842 | A | 42.1 | Very low | 43.5 | Very low | 51 Ų | 51 | 102.8 Ų | 102.8 | 42% | 0.421 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.5 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L838 T845 V846 | L838-A842 VanDerWaalsContact O-CB 3.24Å; L838-A842 WeakPolarHBondContact O-CB 3.14Å; L838-A842 PolarHBondContact O-N 2.8Å; A842-T845 PolarHBondContact O-N 3.16Å; A842-V846 VanDerWaalsContact O-CB 3.31Å; A842-V846 WeakPolarHBondContact O-CB 3.47Å; A842-V846 WeakPolarHBondContact O-CG2 3.21Å; A842-V846 PolarHBondContact O-N 3.23Å |
| 843 | Q | 38.7 | Very low | 42.5 | Very low | 126 Ų | 126 | 104.6 Ų | 104.6 | 59% | 0.589 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.3 | -35.4 | 174 | -77.3 | 177.3 | -10.5 | 0 | 0 | 112.3 | Q839 T841 A847 | Q839-Q843 VanDerWaalsContact O-CB 3.27Å; Q839-Q843 WeakPolarHBondContact O-CB 3.44Å; Q839-Q843 VanDerWaalsContact O-CG 3.25Å; Q839-Q843 WeakPolarHBondContact O-CG 3.04Å; Q839-Q843 PolarHBondContact O-N 3.02Å; T841-Q843 VanDerWaalsContact C-N 3.34Å; T841-Q843 PolarHBondContact O-N 3.37Å; Q843-A847 WeakPolarHBondContact O-CA 3.48Å; Q843-A847 WeakPolarHBondContact O-CB 3.47Å; Q843-A847 PolarHBondContact O-N 2.82Å |
| 844 | K | 41 | Very low | 41.4 | Very low | 158 Ų | 158 | 102.2 Ų | 102.2 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74.1 | -30.5 | 173.8 | -79.6 | -179.2 | 177.8 | -178.4 | 0 | 112.9 | Q840 T841 G848 | Q840-K844 VanDerWaalsContact O-CB 3.26Å; Q840-K844 WeakPolarHBondContact O-CB 3.42Å; Q840-K844 VanDerWaalsContact O-CG 3.27Å; Q840-K844 WeakPolarHBondContact O-CG 3.41Å; Q840-K844 PolarHBondContact O-N 2.94Å; T841-K844 CarbonylContact O-C 3.52Å; T841-K844 PolarHBondContact O-N 3.07Å; T841-K844 VanDerWaalsContact O-N 3.1Å; K844-G848 VanDerWaalsContact O-CA 3.25Å; K844-G848 WeakPolarHBondContact O-CA 3.45Å; K844-G848 PolarHBondContact O-N 3.18Å |
| 845 | T | 43.2 | Very low | 40.6 | Very low | 78 Ų | 78 | 103.8 Ų | 103.8 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.7 | -41.2 | 172.5 | -48.4 | 0 | 0 | 0 | 0 | 109.6 | T841 A842 L849 | T841-T845 WeakPolarHBondContact O-CB 3.05Å; T841-T845 PolarHBondContact O-N 2.66Å; T841-T845 PolarHBondContact O-OG1 3.07Å; A842-T845 PolarHBondContact O-N 3.16Å; T845-L849 HydrophobicContact CG2-CD1 4.14Å; T845-L849 VanDerWaalsContact O-CB 3.29Å; T845-L849 WeakPolarHBondContact O-CB 3.39Å; T845-L849 VanDerWaalsContact O-CD1 3.3Å; T845-L849 WeakPolarHBondContact O-CD1 3.33Å; T845-L849 VanDerWaalsContact O-CG 3.23Å; T845-L849 WeakPolarHBondContact O-CG 3.33Å; T845-L849 PolarHBondContact O-N 3.38Å; T845-L849 VanDerWaalsContact O-N 3.16Å |
| 846 | V | 36.9 | Very low | 40.2 | Very low | 108 Ų | 108 | 107.8 Ų | 107.8 | 66% | 0.655 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.9 | -41.4 | 176 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | A842 A850 | A842-V846 VanDerWaalsContact O-CB 3.31Å; A842-V846 WeakPolarHBondContact O-CB 3.47Å; A842-V846 WeakPolarHBondContact O-CG2 3.21Å; A842-V846 PolarHBondContact O-N 3.23Å; V846-A850 PolarHBondContact O-N 3.34Å |
| 847 | A | 34.5 | Very low | 39.7 | Very low | 59 Ų | 59 | 109.8 Ų | 109.8 | 49% | 0.488 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -78.5 | -34.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q843 L849 A850 | Q843-A847 WeakPolarHBondContact O-CA 3.48Å; Q843-A847 WeakPolarHBondContact O-CB 3.47Å; Q843-A847 PolarHBondContact O-N 2.82Å; A847-L849 PolarHBondContact O-N 3.34Å; A847-A850 PolarHBondContact O-N 2.72Å; A847-A850 VanDerWaalsContact O-N 3.12Å |
| 848 | G | 32.9 | Very low | 40 | Very low | 62 Ų | 62 | 108.4 Ų | 108.4 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.1 | -21.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K844 | K844-G848 VanDerWaalsContact O-CA 3.25Å; K844-G848 WeakPolarHBondContact O-CA 3.45Å; K844-G848 PolarHBondContact O-N 3.18Å |
| 849 | L | 34.6 | Very low | 41.2 | Very low | 134 Ų | 134 | 106.1 Ų | 106.1 | 70% | 0.702 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -9.5 | 169.8 | -72.9 | 167.1 | 0 | 0 | 0 | 113.3 | T845 A847 | T845-L849 HydrophobicContact CG2-CD1 4.14Å; T845-L849 VanDerWaalsContact O-CB 3.29Å; T845-L849 WeakPolarHBondContact O-CB 3.39Å; T845-L849 VanDerWaalsContact O-CD1 3.3Å; T845-L849 WeakPolarHBondContact O-CD1 3.33Å; T845-L849 VanDerWaalsContact O-CG 3.23Å; T845-L849 WeakPolarHBondContact O-CG 3.33Å; T845-L849 PolarHBondContact O-N 3.38Å; T845-L849 VanDerWaalsContact O-N 3.16Å; A847-L849 PolarHBondContact O-N 3.34Å |
| 850 | A | 32.9 | Very low | 42.6 | Very low | 75 Ų | 75 | 101.7 Ų | 101.7 | 62% | 0.62 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -87.1 | -2.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V846 A847 | V846-A850 PolarHBondContact O-N 3.34Å; A847-A850 PolarHBondContact O-N 2.72Å; A847-A850 VanDerWaalsContact O-N 3.12Å |
| 851 | V | 31.2 | Very low | 44 | Very low | 124 Ų | 124 | 97.4 Ų | 97.4 | 75% | 0.752 | 58% | 0.583 | S | S | * | * | trans | -136.9 | 49.7 | -179.5 | -159.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 852 | K | 31 | Very low | 45.7 | Very low | 194 Ų | 194 | 95.9 Ų | 95.9 | 84% | 0.843 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -114.1 | 96.9 | 137.5 | -84.4 | -175.3 | 178.6 | 178.8 | 0 | 104.9 | S854 | K852-S854 VanDerWaalsContact C-N 3.33Å; K852-S854 PolarHBondContact O-N 2.79Å |
| 853 | S | 28.4 | Very low | 47.7 | Very low | 114 Ų | 114 | 98.4 Ų | 98.4 | 80% | 0.797 | 59% | 0.591 | S | S | * | * | trans | -41.3 | 100.4 | 172.6 | 53.4 | 0 | 0 | 0 | 0 | 108.8 | A855 | S853-A855 PolarHBondContact O-N 3.09Å; S853-A855 VanDerWaalsContact O-N 3.12Å | ||
| 854 | S | 35.5 | Very low | 50.2 | Low | 87 Ų | 87 | 93.5 Ų | 93.5 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | trans | -48.6 | 121.7 | 160.1 | 48.4 | 0 | 0 | 0 | 0 | 105 | K852 P856 | K852-S854 VanDerWaalsContact C-N 3.33Å; K852-S854 PolarHBondContact O-N 2.79Å; S854-P856 VanDerWaalsContact O-N 3.16Å | ||
| 855 | A | 38.7 | Very low | 52.4 | Low | 82 Ų | 82 | 93.5 Ų | 93.5 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | trans | -40.1 | 129.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | S853 F857 | S853-A855 PolarHBondContact O-N 3.09Å; S853-A855 VanDerWaalsContact O-N 3.12Å; A855-F857 PolarHBondContact O-N 3.13Å | ||
| 856 | P | 40.2 | Very low | 54.6 | Low | 118 Ų | 118 | 96 Ų | 96 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | trans | -47.8 | 121.7 | -175.2 | 20.4 | -31.5 | 0 | 0 | 0 | 106.2 | S854 S858 | S854-P856 VanDerWaalsContact O-N 3.16Å; P856-S858 VanDerWaalsContact C-N 3.26Å; P856-S858 WeakPolarHBondContact O-CA 3.29Å; P856-S858 PolarHBondContact O-N 3.37Å | ||
| 857 | F | 49.1 | Very low | 57.3 | Low | 176 Ų | 176 | 95.4 Ų | 95.4 | 77% | 0.772 | 56% | 0.559 | S | S | * | * | trans | -47.3 | 101.4 | 179.7 | -103.2 | -91.9 | 0 | 0 | 0 | 105.7 | A855 D859 | A855-F857 PolarHBondContact O-N 3.13Å; F857-D859 PolarHBondContact O-N 3.05Å | ||
| 858 | S | 56.6 | Low | 60.1 | Low | 98 Ų | 98 | 94 Ų | 94 | 69% | 0.685 | 55% | 0.545 | S | S | * | . | trans | -70.4 | 110.2 | -173.2 | 68 | 0 | 0 | 0 | 0 | 103.3 | P856 R860 | P856-S858 VanDerWaalsContact C-N 3.26Å; P856-S858 WeakPolarHBondContact O-CA 3.29Å; P856-S858 PolarHBondContact O-N 3.37Å; S858-R860 PolarHBondContact O-N 3.12Å | ||
| 859 | D | 70 | Confident | 62.9 | Low | 67 Ų | 67 | 94.2 Ų | 94.2 | 36% | 0.358 | 55% | 0.547 | S | S | . | . | trans | -61.8 | 93.2 | 174.5 | 177.2 | 4.8 | 0 | 0 | 0 | 107.4 | F857 Y861 A862 R865 | F857-D859 PolarHBondContact O-N 3.05Å; D859-Y861 PolarHBondContact O-N 2.98Å; D859-Y861 PolarHBondContact OD1-N 3.44Å; D859-A862 HydrophobicContact CB-CB 4.29Å; D859-A862 WeakPolarHBondContact O-CB 3.39Å; D859-A862 PolarHBondContact O-N 3.25Å; D859-A862 PolarHBondContact OD1-N 3.15Å; D859-R865 IonicContact OD2-CZ 2.91Å; D859-R865 IonicContact OD2-NE 3.7Å; D859-R865 PolarHBondContact OD2-NE 3.16Å; D859-R865 IonicContact OD2-NH2 3.3Å; D859-R865 PolarHBondContact OD2-NH2 2.81Å | ||
| 860 | R | 76.9 | Confident | 65.6 | Low | 35 Ų | 35 | 95.8 Ų | 95.8 | 13% | 0.132 | 55% | 0.55 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.2 | -177.6 | 178 | -178.7 | 172 | -90.8 | 11.5 | 111.1 | P308 D316 D317 S858 P863 | P308-R860 VanDerWaalsContact CB-CD 3.48Å; P308-R860 VanDerWaalsContact CB-NE 3.27Å; P308-R860 PolarHBondContact O-NE 2.78Å; P308-R860 PolarHBondContact O-NH2 2.92Å; D316-R860 IonicContact OD2-CZ 3.8Å; D316-R860 IonicContact OD2-NH1 3.52Å; D316-R860 PolarHBondContact OD2-NH1 2.95Å; D316-R860 IonicContact OD2-NH2 2.94Å; D316-R860 PolarHBondContact OD2-NH2 2.67Å; D316-R860 VanDerWaalsContact OD2-NH2 3.11Å; D317-R860 IonicContact OD1-CZ 3.72Å; D317-R860 IonicContact OD1-NH1 3.69Å; D317-R860 IonicContact OD1-NH2 3.64Å; D317-R860 PolarHBondContact OD1-NH2 2.73Å; S858-R860 PolarHBondContact O-N 3.12Å; R860-P863 WeakPolarHBondContact O-CD 3.26Å |
| 861 | Y | 81.6 | Confident | 68.5 | Low | 19 Ų | 19 | 93.3 Ų | 93.3 | 8% | 0.075 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 2 | 175.9 | -60.8 | -67.8 | 0 | 0 | 0 | 112.5 | I320 A335 D859 P863 Y864 R865 L877 | I320-Y861 HydrophobicContact CD1-CD1 3.8Å; I320-Y861 HydrophobicContact CD1-CE1 3.96Å; A335-Y861 HydrophobicContact CB-CE1 4.36Å; A335-Y861 HydrophobicContact CB-CE2 3.99Å; A335-Y861 WeakPolarHBondContact CB-OH 3.35Å; D859-Y861 PolarHBondContact O-N 2.98Å; D859-Y861 PolarHBondContact OD1-N 3.44Å; Y861-P863 VanDerWaalsContact C-N 3.31Å; Y861-Y864 HydrophobicContact CD1-CD2 4.09Å; Y861-Y864 WeakPolarHBondContact O-CA 3.38Å; Y861-Y864 WeakPolarHBondContact O-CB 3.46Å; Y861-Y864 PolarHBondContact O-N 2.86Å; Y861-R865 PolarHBondContact O-N 3.15Å; Y861-R865 VanDerWaalsContact O-N 3.15Å; Y861-L877 HydrophobicContact CD1-CD1 4.33Å; Y861-L877 HydrophobicContact CD1-CD2 4.49Å; Y861-L877 HydrophobicContact CD2-CB 3.91Å; Y861-L877 HydrophobicContact CD2-CD1 4.35Å; Y861-L877 HydrophobicContact CD2-CG 4.49Å; Y861-L877 HydrophobicContact CE2-CB 4.4Å; Y861-L877 HydrophobicContact CG-CB 4.3Å; Y861-L877 HydrophobicContact CG-CD1 3.88Å; Y861-L877 HydrophobicContact CG-CD2 4.47Å; Y861-L877 HydrophobicContact CG-CG 4.45Å |
| 862 | A | 82.6 | Confident | 71.6 | Confident | 49 Ų | 49 | 90.5 Ų | 90.5 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -49.1 | -43.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D859 Y864 R865 | D859-A862 HydrophobicContact CB-CB 4.29Å; D859-A862 WeakPolarHBondContact O-CB 3.39Å; D859-A862 PolarHBondContact O-N 3.25Å; D859-A862 PolarHBondContact OD1-N 3.15Å; A862-Y864 PolarHBondContact O-N 3.23Å; A862-Y864 VanDerWaalsContact O-N 3.17Å; A862-R865 PolarHBondContact O-N 2.76Å |
| 863 | P | 86 | Confident | 74.7 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -65 | -18.1 | 176.7 | -19.5 | 34.1 | 0 | 0 | 0 | 114 | R860 Y861 | R860-P863 WeakPolarHBondContact O-CD 3.26Å; Y861-P863 VanDerWaalsContact C-N 3.31Å |
| 864 | Y | 89.9 | Confident | 77.9 | Confident | 22 Ų | 22 | 79.1 Ų | 79.1 | 9% | 0.086 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -97.9 | -13.5 | -179.9 | -65.3 | -79.6 | 0 | 0 | 0 | 113 | I320 D321 L324 Y861 A862 D866 R867 V868 | I320-Y864 HydrophobicContact CD1-CD1 4.2Å; I320-Y864 HydrophobicContact CD1-CD2 4.21Å; I320-Y864 HydrophobicContact CD1-CG 3.98Å; I320-Y864 HydrophobicContact CG1-CD1 4.45Å; I320-Y864 HydrophobicContact CG2-CD1 4.27Å; I320-Y864 HydrophobicContact CG2-CE1 3.64Å; I320-Y864 HydrophobicContact CG2-CE2 4.08Å; D321-Y864 WeakPolarHBondContact OD1-CE1 3.3Å; L324-Y864 HydrophobicContact CD1-CD1 3.55Å; L324-Y864 HydrophobicContact CD1-CE1 4.18Å; L324-Y864 HydrophobicContact CD1-CG 4.49Å; Y861-Y864 HydrophobicContact CD1-CD2 4.09Å; Y861-Y864 WeakPolarHBondContact O-CA 3.38Å; Y861-Y864 WeakPolarHBondContact O-CB 3.46Å; Y861-Y864 PolarHBondContact O-N 2.86Å; A862-Y864 PolarHBondContact O-N 3.23Å; A862-Y864 VanDerWaalsContact O-N 3.17Å; Y864-D866 VanDerWaalsContact C-N 3.29Å; Y864-D866 PolarHBondContact O-N 3.17Å; Y864-R867 PolarHBondContact O-N 2.73Å; Y864-R867 VanDerWaalsContact O-N 3.09Å; Y864-V868 WeakPolarHBondContact O-CB 3.5Å; Y864-V868 VanDerWaalsContact O-CG2 3.28Å; Y864-V868 WeakPolarHBondContact O-CG2 3.36Å; Y864-V868 PolarHBondContact O-N 3.01Å |
| 865 | R | 87.1 | Confident | 80.8 | Confident | 159 Ų | 159 | 76.5 Ų | 76.5 | 60% | 0.6 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -52.2 | -45.3 | -173.1 | -80.7 | -178.2 | 175.1 | -142.7 | -0.1 | 113.1 | D859 Y861 A862 V868 G869 | D859-R865 IonicContact OD2-CZ 2.91Å; D859-R865 IonicContact OD2-NE 3.7Å; D859-R865 PolarHBondContact OD2-NE 3.16Å; D859-R865 IonicContact OD2-NH2 3.3Å; D859-R865 PolarHBondContact OD2-NH2 2.81Å; Y861-R865 PolarHBondContact O-N 3.15Å; Y861-R865 VanDerWaalsContact O-N 3.15Å; A862-R865 PolarHBondContact O-N 2.76Å; R865-V868 PolarHBondContact O-N 2.67Å; R865-G869 PolarHBondContact O-N 2.91Å |
| 866 | D | 90 | Very high | 83.4 | Confident | 130 Ų | 130 | 74.3 Ų | 74.3 | 70% | 0.695 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.6 | -47.8 | -179.7 | -65.5 | -19.8 | 0 | 0 | 0 | 111 | Y864 V868 G869 H870 | Y864-D866 VanDerWaalsContact C-N 3.29Å; Y864-D866 PolarHBondContact O-N 3.17Å; D866-V868 PolarHBondContact O-N 2.83Å; D866-G869 PolarHBondContact O-N 2.87Å; D866-H870 PolarHBondContact O-N 3.43Å; D866-H870 PolarHBondContact O-ND1 2.6Å |
| 867 | R | 93.4 | Very high | 85.9 | Confident | 95 Ų | 95 | 71.3 Ų | 71.3 | 36% | 0.358 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 178.2 | -73.3 | 173.9 | 63.5 | -151.2 | 3.3 | 112.1 | D321 L324 D325 Y864 G869 H870 S871 | D321-R867 IonicContact OD1-CZ 3.18Å; D321-R867 IonicContact OD1-NH1 3.95Å; D321-R867 PolarHBondContact OD1-NH1 3.25Å; D321-R867 IonicContact OD1-NH2 2.68Å; D321-R867 PolarHBondContact OD1-NH2 3.26Å; L324-R867 HydrophobicContact CD1-CB 4.17Å; L324-R867 HydrophobicContact CD2-CB 4.11Å; D325-R867 IonicContact OD1-CZ 3.91Å; D325-R867 IonicContact OD1-NH2 2.76Å; D325-R867 PolarHBondContact OD1-NH2 3.03Å; D325-R867 IonicContact OD2-NH2 2.58Å; Y864-R867 PolarHBondContact O-N 2.73Å; Y864-R867 VanDerWaalsContact O-N 3.09Å; R867-G869 VanDerWaalsContact C-N 3.33Å; R867-G869 PolarHBondContact O-N 3.45Å; R867-H870 PolarHBondContact O-N 3.18Å; R867-S871 WeakPolarHBondContact O-CB 3.4Å; R867-S871 PolarHBondContact O-N 2.68Å |
| 868 | V | 93.1 | Very high | 87.7 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 19% | 0.188 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 176 | 167 | 0 | 0 | 0 | 0 | 111 | L324 Y864 R865 D866 H870 S871 F875 L877 | L324-V868 HydrophobicContact CD2-CG2 3.96Å; Y864-V868 WeakPolarHBondContact O-CB 3.5Å; Y864-V868 VanDerWaalsContact O-CG2 3.28Å; Y864-V868 WeakPolarHBondContact O-CG2 3.36Å; Y864-V868 PolarHBondContact O-N 3.01Å; R865-V868 PolarHBondContact O-N 2.67Å; D866-V868 PolarHBondContact O-N 2.83Å; V868-H870 VanDerWaalsContact C-N 3.25Å; V868-H870 PolarHBondContact O-N 3.02Å; V868-S871 PolarHBondContact O-N 3.03Å; V868-F875 HydrophobicContact CB-CD2 4.41Å; V868-F875 HydrophobicContact CB-CG 4.45Å; V868-F875 HydrophobicContact CG1-CB 3.63Å; V868-F875 HydrophobicContact CG1-CD2 3.82Å; V868-F875 HydrophobicContact CG1-CG 3.77Å; V868-F875 HydrophobicContact CG2-CB 4.49Å; V868-F875 HydrophobicContact CG2-CD1 4.06Å; V868-F875 HydrophobicContact CG2-CD2 4.28Å; V868-F875 HydrophobicContact CG2-CE1 4.4Å; V868-F875 HydrophobicContact CG2-CG 4.01Å; V868-L877 HydrophobicContact CG2-CD1 4.29Å |
| 869 | G | 91.1 | Very high | 89.2 | Confident | 66 Ų | 66 | 64.3 Ų | 64.3 | 68% | 0.68 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.6 | -24.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | R865 D866 R867 | R865-G869 PolarHBondContact O-N 2.91Å; D866-G869 PolarHBondContact O-N 2.87Å; R867-G869 VanDerWaalsContact C-N 3.33Å; R867-G869 PolarHBondContact O-N 3.45Å |
| 870 | H | 92.9 | Very high | 90.2 | Very high | 167 Ų | 167 | 64.2 Ų | 64.2 | 77% | 0.773 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -99.8 | -9.9 | 177.8 | -64.1 | 90 | 0 | 0 | 0 | 113.6 | D866 R867 V868 | D866-H870 PolarHBondContact O-N 3.43Å; D866-H870 PolarHBondContact O-ND1 2.6Å; R867-H870 PolarHBondContact O-N 3.18Å; V868-H870 VanDerWaalsContact C-N 3.25Å; V868-H870 PolarHBondContact O-N 3.02Å |
| 871 | S | 94.2 | Very high | 91 | Very high | 22 Ų | 22 | 65.8 Ų | 65.8 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | trans | -74.7 | 140.1 | -176.5 | -173 | 0 | 0 | 0 | 0 | 111.3 | R867 V868 S873 F875 | R867-S871 WeakPolarHBondContact O-CB 3.4Å; R867-S871 PolarHBondContact O-N 2.68Å; V868-S871 PolarHBondContact O-N 3.03Å; S871-S873 VanDerWaalsContact C-N 3.26Å; S871-S873 PolarHBondContact O-N 3.07Å; S871-S873 PolarHBondContact OG-N 3.39Å; S871-F875 WeakPolarHBondContact OG-CE2 3.48Å | ||
| 872 | P | 95.3 | Very high | 91.5 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 42% | 0.422 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -72.5 | -20.3 | 173 | 30.8 | -36.5 | 0 | 0 | 0 | 112.7 | E327 E329 | E327-P872 VanDerWaalsContact C-CG 3.45Å; E327-P872 HydrophobicContact CB-CG 3.89Å; E327-P872 WeakPolarHBondContact O-CG 3.4Å; E329-P872 HydrophobicContact CB-CB 4.25Å |
| 873 | S | 95.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 4% | 0.035 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -72.1 | 151.8 | 173.6 | -49.8 | 0 | 0 | 0 | 0 | 111 | D328 S871 F875 | D328-S873 PolarHBondContact N-OG 3.32Å; D328-S873 WeakPolarHBondContact O-CB 2.9Å; D328-S873 PolarHBondContact O-OG 3.15Å; S871-S873 VanDerWaalsContact C-N 3.26Å; S871-S873 PolarHBondContact O-N 3.07Å; S871-S873 PolarHBondContact OG-N 3.39Å; S873-F875 WeakPolarHBondContact O-CD2 3.46Å; S873-F875 WeakPolarHBondContact O-CE2 3.47Å |
| 874 | V | 95.7 | Very high | 92.5 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 39% | 0.394 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.8 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | I331 V332 Y333 | I331-V874 PolarHBondContact O-N 3.46Å; I331-V874 VanDerWaalsContact O-N 3.16Å; V332-V874 CarbonylContact C-O 3.58Å; V332-V874 WeakPolarHBondContact CA-O 3.43Å; V332-V874 HydrophobicContact CB-CB 4.43Å; V332-V874 HydrophobicContact CG1-CB 4.09Å; V332-V874 HydrophobicContact CG1-CG1 4.09Å; V332-V874 HydrophobicContact CG2-CB 4.14Å; Y333-V874 PolarHBondContact N-O 3.31Å |
| 875 | F | 96.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 70.7 Ų | 70.7 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.6 | 178 | -66.3 | -99.6 | 0 | 0 | 0 | 111.8 | I320 V323 L324 Y333 V868 S871 S873 L877 | I320-F875 HydrophobicContact CG1-CE1 4.26Å; V323-F875 HydrophobicContact CB-CE1 4.41Å; V323-F875 HydrophobicContact CB-CZ 4.42Å; V323-F875 HydrophobicContact CG1-CE1 3.94Å; V323-F875 HydrophobicContact CG1-CZ 3.7Å; L324-F875 HydrophobicContact CD2-CE1 3.96Å; L324-F875 HydrophobicContact CD2-CE2 3.81Å; L324-F875 HydrophobicContact CD2-CZ 3.36Å; L324-F875 HydrophobicContact CG-CE1 4.08Å; L324-F875 HydrophobicContact CG-CZ 3.76Å; Y333-F875 AromaticContact CD1-CD1 3.73Å; Y333-F875 HydrophobicContact CD1-CD1 3.73Å; Y333-F875 AromaticContact CD1-CE1 3.99Å; Y333-F875 HydrophobicContact CD1-CE1 3.99Å; Y333-F875 HydrophobicContact CG-CD1 4.22Å; Y333-F875 HydrophobicContact CG-CE1 4.21Å; Y333-F875 CarbonylContact O-C 3.51Å; Y333-F875 WeakPolarHBondContact O-CA 3.37Å; V868-F875 HydrophobicContact CB-CD2 4.41Å; V868-F875 HydrophobicContact CB-CG 4.45Å; V868-F875 HydrophobicContact CG1-CB 3.63Å; V868-F875 HydrophobicContact CG1-CD2 3.82Å; V868-F875 HydrophobicContact CG1-CG 3.77Å; V868-F875 HydrophobicContact CG2-CB 4.49Å; V868-F875 HydrophobicContact CG2-CD1 4.06Å; V868-F875 HydrophobicContact CG2-CD2 4.28Å; V868-F875 HydrophobicContact CG2-CE1 4.4Å; V868-F875 HydrophobicContact CG2-CG 4.01Å; S871-F875 WeakPolarHBondContact OG-CE2 3.48Å; S873-F875 WeakPolarHBondContact O-CD2 3.46Å; S873-F875 WeakPolarHBondContact O-CE2 3.47Å; F875-L877 HydrophobicContact CB-CD2 4.44Å; F875-L877 HydrophobicContact CB-CG 4.33Å; F875-L877 HydrophobicContact CD1-CD2 4.43Å |
| 876 | I | 94.7 | Very high | 93.1 | Very high | 37 Ų | 37 | 63.9 Ų | 63.9 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 105.8 | 170.5 | -59.1 | 176.5 | 0 | 0 | 0 | 106.7 | V332 Y333 V334 A335 A356 L357 L360 L878 | V332-I876 HydrophobicContact CG1-CD1 4.47Å; Y333-I876 PolarHBondContact O-N 3.06Å; V334-I876 CarbonylContact C-O 3.53Å; V334-I876 VanDerWaalsContact CA-O 3.23Å; V334-I876 WeakPolarHBondContact CA-O 3.44Å; V334-I876 HydrophobicContact CB-CB 4.48Å; V334-I876 HydrophobicContact CG1-CB 4.18Å; V334-I876 HydrophobicContact CG1-CG2 4.2Å; V334-I876 HydrophobicContact CG2-CB 4.22Å; V334-I876 HydrophobicContact CG2-CD1 4.31Å; A335-I876 PolarHBondContact N-O 3.39Å; A356-I876 HydrophobicContact CB-CG2 4.34Å; L357-I876 HydrophobicContact CD2-CD1 4.3Å; L360-I876 HydrophobicContact CD1-CD1 3.92Å; I876-L878 HydrophobicContact CG2-CD1 4.38Å; I876-L878 HydrophobicContact CG2-CD2 4.32Å; I876-L878 HydrophobicContact CG2-CG 4.06Å |
| 877 | L | 91.3 | Very high | 93.4 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 107.5 | -174.2 | -52.7 | 177.3 | 0 | 0 | 0 | 108.7 | I320 Y333 A335 Y861 V868 F875 | I320-L877 HydrophobicContact CD1-CD2 4.42Å; Y333-L877 HydrophobicContact CD1-CD2 4.22Å; Y333-L877 HydrophobicContact CE1-CD2 4.28Å; A335-L877 HydrophobicContact CB-CD2 3.71Å; Y861-L877 HydrophobicContact CD1-CD1 4.33Å; Y861-L877 HydrophobicContact CD1-CD2 4.49Å; Y861-L877 HydrophobicContact CD2-CB 3.91Å; Y861-L877 HydrophobicContact CD2-CD1 4.35Å; Y861-L877 HydrophobicContact CD2-CG 4.49Å; Y861-L877 HydrophobicContact CE2-CB 4.4Å; Y861-L877 HydrophobicContact CG-CB 4.3Å; Y861-L877 HydrophobicContact CG-CD1 3.88Å; Y861-L877 HydrophobicContact CG-CD2 4.47Å; Y861-L877 HydrophobicContact CG-CG 4.45Å; V868-L877 HydrophobicContact CG2-CD1 4.29Å; F875-L877 HydrophobicContact CB-CD2 4.44Å; F875-L877 HydrophobicContact CB-CG 4.33Å; F875-L877 HydrophobicContact CD1-CD2 4.43Å |
| 878 | L | 87 | Confident | 93.4 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | trans | -109.4 | 0 | -174 | -62.4 | 176 | 0 | 0 | 0 | 112.8 | A335 F336 N337 Y341 L353 A356 I876 | A335-L878 WeakPolarHBondContact O-CB 3.45Å; A335-L878 PolarHBondContact O-N 3.34Å; F336-L878 HydrophobicContact CD2-CB 3.81Å; F336-L878 HydrophobicContact CD2-CD1 3.83Å; F336-L878 HydrophobicContact CD2-CG 4.5Å; N337-L878 PolarHBondContact N-O 2.89Å; Y341-L878 HydrophobicContact CE2-CB 4.42Å; Y341-L878 WeakPolarHBondContact CE2-OXT 3.26Å; Y341-L878 VanDerWaalsContact CZ-OXT 3.3Å; Y341-L878 PolarHBondContact OH-OXT 2.95Å; L353-L878 HydrophobicContact CB-CD1 4.44Å; L353-L878 HydrophobicContact CD1-CD1 3.83Å; A356-L878 HydrophobicContact CB-CD1 3.89Å; A356-L878 HydrophobicContact CB-CD2 4.33Å; I876-L878 HydrophobicContact CG2-CD1 4.38Å; I876-L878 HydrophobicContact CG2-CD2 4.32Å; I876-L878 HydrophobicContact CG2-CG 4.06Å |
Retrieved 878 of 878 residues in 151.3 ms
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