| 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 | 78 | Confident | 90.8 | Very high | 82 Ų | 82 | 70.2 Ų | 70.2 | 40% | 0.404 | 41% | 0.413 | S | S | . | . | 0 | 43.9 | 0 | -63.4 | -51.3 | -163.6 | 0 | 0 | 114 | G3 Y4 C6 Q22 L24 V53 L74 | M1-G3 VanDerWaalsContact C-N 3.26Å; M1-G3 PolarHBondContact O-N 3.22Å; M1-Y4 WeakPolarHBondContact O-CB 3.49Å; M1-Y4 WeakPolarHBondContact O-CD2 3.29Å; M1-Y4 PolarHBondContact O-N 3.31Å; M1-C6 HydrophobicContact CB-CB 4.11Å; M1-C6 VanDerWaalsContact CE-SG 3.53Å; M1-C6 HydrophobicContact CG-CB 3.43Å; M1-C6 VanDerWaalsContact CG-CB 3.43Å; M1-C6 VanDerWaalsContact CG-SG 3.59Å; M1-Q22 HydrophobicContact CE-CB 4.37Å; M1-Q22 HydrophobicContact CE-CG 4.36Å; M1-L24 HydrophobicContact CB-CD2 4.19Å; M1-L24 HydrophobicContact CE-CD2 4.34Å; M1-L24 HydrophobicContact CG-CD2 3.89Å; M1-L24 HydrophobicContact SD-CD2 4.32Å; M1-V53 HydrophobicContact CE-CG2 4.47Å; M1-V53 HydrophobicContact SD-CG2 4.24Å; M1-L74 HydrophobicContact CE-CD1 4.42Å | |||
| 2 | R | 81.8 | Confident | 91.5 | Very high | 106 Ų | 106 | 71.5 Ų | 71.5 | 40% | 0.4 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 34.4 | 167.7 | -55.2 | -176.6 | 179.8 | -103.7 | 7.7 | 117.1 | N55 P57 F63 | R2-N55 PolarHBondContact NE-O 3.39Å; R2-N55 PolarHBondContact NH2-O 3.44Å; R2-P57 HydrophobicContact CB-CG 4.28Å; R2-F63 HydrophobicContact CB-CZ 4.26Å; R2-F63 HydrophobicContact CG-CE2 4.44Å; R2-F63 HydrophobicContact CG-CZ 4.18Å |
| 3 | G | 84.6 | Confident | 92.1 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 90% | 0.897 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M1 | M1-G3 VanDerWaalsContact C-N 3.26Å; M1-G3 PolarHBondContact O-N 3.22Å |
| 4 | Y | 89 | Confident | 92.5 | Very high | 37 Ų | 37 | 74.4 Ų | 74.4 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | trans | -81.3 | 140.2 | 173.9 | -64.9 | -107.3 | 0 | 0 | 0 | 110.5 | M1 T27 P57 F63 A66 D67 | M1-Y4 WeakPolarHBondContact O-CB 3.49Å; M1-Y4 WeakPolarHBondContact O-CD2 3.29Å; M1-Y4 PolarHBondContact O-N 3.31Å; Y4-T27 HydrophobicContact CD1-CG2 3.48Å; Y4-T27 VanDerWaalsContact CD1-CG2 3.48Å; Y4-T27 HydrophobicContact CE1-CG2 3.47Å; Y4-T27 VanDerWaalsContact CE1-CG2 3.47Å; Y4-P57 HydrophobicContact CE2-CB 3.98Å; Y4-P57 HydrophobicContact CE2-CG 4.13Å; Y4-P57 WeakPolarHBondContact OH-CB 3.38Å; Y4-F63 AromaticContact CD1-CD1 3.84Å; Y4-F63 HydrophobicContact CD1-CD1 3.84Å; Y4-F63 HydrophobicContact CD1-CE1 4.43Å; Y4-F63 AromaticContact CD2-CD1 3.42Å; Y4-F63 HydrophobicContact CD2-CD1 3.42Å; Y4-F63 VanDerWaalsContact CD2-CD1 3.42Å; Y4-F63 AromaticContact CD2-CE1 3.5Å; Y4-F63 HydrophobicContact CD2-CE1 3.5Å; Y4-F63 VanDerWaalsContact CD2-CE1 3.5Å; Y4-F63 HydrophobicContact CD2-CG 4.37Å; Y4-F63 HydrophobicContact CD2-CZ 4.47Å; Y4-F63 HydrophobicContact CE1-CB 4.26Å; Y4-F63 AromaticContact CE1-CD1 3.88Å; Y4-F63 HydrophobicContact CE1-CD1 3.88Å; Y4-F63 HydrophobicContact CE1-CG 4.49Å; Y4-F63 HydrophobicContact CE2-CB 4.36Å; Y4-F63 AromaticContact CE2-CD1 3.5Å; Y4-F63 HydrophobicContact CE2-CD1 3.5Å; Y4-F63 VanDerWaalsContact CE2-CD1 3.5Å; Y4-F63 AromaticContact CE2-CE1 3.96Å; Y4-F63 HydrophobicContact CE2-CE1 3.96Å; Y4-F63 HydrophobicContact CE2-CG 4.03Å; Y4-F63 AromaticContact CG-CD1 3.63Å; Y4-F63 HydrophobicContact CG-CD1 3.63Å; Y4-F63 AromaticContact CG-CE1 3.79Å; Y4-F63 HydrophobicContact CG-CE1 3.79Å; Y4-F63 AromaticContact CZ-CD1 3.74Å; Y4-A66 HydrophobicContact CD1-CB 4.23Å; Y4-A66 HydrophobicContact CE1-CB 4.24Å; Y4-D67 VanDerWaalsContact CE1-OD1 3.29Å; Y4-D67 WeakPolarHBondContact CE1-OD1 3.19Å; Y4-D67 VanDerWaalsContact OH-CG 3.29Å; Y4-D67 PolarHBondContact OH-OD1 2.81Å; Y4-D67 PolarHBondContact OH-OD2 2.82Å | ||
| 5 | A | 88.2 | Confident | 92.9 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | trans | -66.3 | 131.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | C | 91.4 | Very high | 93.3 | Very high | 53 Ų | 53 | 68.6 Ų | 68.6 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.8 | -177.7 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | M1 R23 L24 | M1-C6 HydrophobicContact CB-CB 4.11Å; M1-C6 VanDerWaalsContact CE-SG 3.53Å; M1-C6 HydrophobicContact CG-CB 3.43Å; M1-C6 VanDerWaalsContact CG-CB 3.43Å; M1-C6 VanDerWaalsContact CG-SG 3.59Å; C6-R23 VanDerWaalsContact CA-O 3.31Å; C6-R23 WeakPolarHBondContact CA-O 3.31Å; C6-L24 HydrophobicContact CB-CD2 4.25Å |
| 7 | Q | 94.4 | Very high | 93.6 | Very high | 94 Ų | 94 | 65 Ų | 65 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 147.5 | 172.6 | -62.5 | 173.1 | -9.1 | 0 | 0 | 109 | H9 Q22 R23 | Q7-H9 PolarHBondContact OE1-NE2 3.46Å; Q7-Q22 CarbonylContact O-C 3.51Å; Q7-Q22 WeakPolarHBondContact O-CA 3.47Å; Q7-R23 HydrophobicContact CB-CB 4.32Å; Q7-R23 PolarHBondContact N-O 3.37Å; Q7-R23 PolarHBondContact O-N 2.86Å |
| 8 | E | 96.5 | Very high | 93.9 | Very high | 139 Ų | 139 | 63.9 Ų | 63.9 | 65% | 0.65 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.6 | 171.5 | -66.1 | -165.8 | 149.8 | 0 | 0 | 109.2 | M21 Q22 | E8-M21 WeakPolarHBondContact CA-O 3.41Å; E8-Q22 HydrophobicContact CG-CG 4.28Å |
| 9 | H | 98.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 11% | 0.111 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.3 | -177.7 | -69 | -97.4 | 0 | 0 | 0 | 109.6 | Q7 T20 M21 W73 Y115 | Q7-H9 PolarHBondContact OE1-NE2 3.46Å; H9-T20 CarbonylContact O-C 3.53Å; H9-T20 WeakPolarHBondContact O-CA 3.37Å; H9-M21 HydrophobicContact CB-CB 4.45Å; H9-M21 PolarHBondContact N-O 3.32Å; H9-M21 PolarHBondContact O-N 3.34Å; H9-W73 HydrophobicContact CB-CZ3 4.07Å; H9-W73 AromaticContact CD2-CH2 3.91Å; H9-W73 AromaticContact CD2-CZ3 3.59Å; H9-W73 AromaticContact CE1-CH2 3.79Å; H9-W73 AromaticContact CG-CZ3 3.64Å; H9-W73 AromaticContact ND1-CH2 3.93Å; H9-W73 AromaticContact NE2-CH2 3.78Å; H9-W73 AromaticContact NE2-CZ3 3.97Å; H9-Y115 HydrophobicContact CB-CE1 3.59Å; H9-Y115 AromaticContact CG-CE1 3.78Å; H9-Y115 AromaticContact ND1-CE1 3.47Å; H9-Y115 WeakPolarHBondContact ND1-CE1 3.47Å; H9-Y115 AromaticContact ND1-CZ 3.66Å; H9-Y115 PolarHBondContact ND1-OH 3.27Å |
| 10 | S | 98.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 59 Ų | 59 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.6 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | L19 | S10-L19 CarbonylContact C-O 3.59Å; S10-L19 WeakPolarHBondContact CA-O 3.39Å |
| 11 | V | 98.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.9 | -179.1 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | I18 L19 M21 A111 Y115 | V11-I18 CarbonylContact O-C 3.55Å; V11-I18 WeakPolarHBondContact O-CA 3.45Å; V11-L19 HydrophobicContact CB-CB 4.33Å; V11-L19 PolarHBondContact N-O 3.33Å; V11-L19 PolarHBondContact O-N 3.45Å; V11-M21 HydrophobicContact CG2-CG 4.04Å; V11-M21 HydrophobicContact CG2-SD 3.77Å; V11-A111 HydrophobicContact CG1-CB 3.76Å; V11-A111 WeakPolarHBondContact CG1-O 3.38Å; V11-Y115 HydrophobicContact CG1-CG 4.45Å; V11-Y115 HydrophobicContact CG2-CD1 3.7Å; V11-Y115 HydrophobicContact CG2-CD2 3.99Å; V11-Y115 HydrophobicContact CG2-CE1 4.21Å; V11-Y115 HydrophobicContact CG2-CE2 4.45Å; V11-Y115 HydrophobicContact CG2-CG 3.58Å |
| 12 | V | 98.7 | Very high | 95.5 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.2 | 179.1 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | I18 V87 | V12-I18 HydrophobicContact CG2-CG1 4.37Å; V12-V87 HydrophobicContact CG1-CG1 4.03Å |
| 13 | T | 98.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | -75.1 | 158.9 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 111.4 | D15 G16 Y17 L19 D108 A111 | T13-D15 WeakPolarHBondContact CB-OD1 3.41Å; T13-D15 PolarHBondContact O-N 3.35Å; T13-D15 PolarHBondContact OG1-OD1 2.78Å; T13-G16 PolarHBondContact O-N 3.12Å; T13-G16 PolarHBondContact OG1-N 3.23Å; T13-Y17 PolarHBondContact N-O 2.86Å; T13-Y17 WeakPolarHBondContact OG1-CA 3.33Å; T13-Y17 WeakPolarHBondContact OG1-CB 3.27Å; T13-Y17 PolarHBondContact OG1-N 3.06Å; T13-Y17 PolarHBondContact OG1-O 2.81Å; T13-L19 HydrophobicContact CG2-CD1 3.66Å; T13-L19 HydrophobicContact CG2-CD2 4.35Å; T13-L19 HydrophobicContact CG2-CG 3.86Å; T13-D108 WeakPolarHBondContact CG2-OD1 3.3Å; T13-A111 HydrophobicContact CG2-CB 4.05Å | ||
| 14 | K | 98.6 | Very high | 96.6 | Very high | 178 Ų | 178 | 45.9 Ų | 45.9 | 77% | 0.774 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.9 | 179.8 | -71 | -179.6 | 178.9 | 171.6 | 0 | 113.4 | Y107 | K14-Y107 HydrophobicContact CB-CD1 4.01Å; K14-Y107 HydrophobicContact CB-CE1 4.39Å |
| 15 | D | 98.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.4 | 177.3 | 69 | -35 | 0 | 0 | 0 | 113.5 | T13 Y17 R78 H86 Y107 | T13-D15 WeakPolarHBondContact CB-OD1 3.41Å; T13-D15 PolarHBondContact O-N 3.35Å; T13-D15 PolarHBondContact OG1-OD1 2.78Å; D15-Y17 WeakPolarHBondContact OD2-CE2 3.26Å; D15-R78 IonicContact OD1-CZ 3.8Å; D15-R78 IonicContact OD1-NH1 2.62Å; D15-R78 IonicContact OD1-NH2 2.96Å; D15-R78 PolarHBondContact OD1-NH2 2.9Å; D15-R78 IonicContact OD2-CZ 3.89Å; D15-R78 IonicContact OD2-NH1 2.74Å; D15-R78 PolarHBondContact OD2-NH1 3.1Å; D15-R78 IonicContact OD2-NH2 2.81Å; D15-R78 PolarHBondContact OD2-NH2 3.38Å; D15-H86 PolarHBondContact O-CE1 3.41Å; D15-H86 PolarHBondContact O-NE2 3.21Å; D15-Y107 HydrophobicContact CB-CD2 4.36Å; D15-Y107 HydrophobicContact CB-CE2 4.43Å; D15-Y107 HydrophobicContact CB-CG 4.46Å |
| 16 | G | 98.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 101.2 | 3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | T13 H86 V87 | T13-G16 PolarHBondContact O-N 3.12Å; T13-G16 PolarHBondContact OG1-N 3.23Å; G16-H86 CarbonylContact O-C 3.51Å; G16-H86 VanDerWaalsContact O-CA 3.29Å; G16-H86 WeakPolarHBondContact O-CA 3.3Å; G16-H86 VanDerWaalsContact O-CG 3.29Å; G16-H86 PolarHBondContact O-ND1 3.44Å; G16-V87 PolarHBondContact O-N 2.95Å |
| 17 | Y | 98.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 141.9 | 167.8 | -68.1 | -99.1 | 0 | 0 | 0 | 110.6 | T13 D15 R78 H86 Y96 F99 | T13-Y17 PolarHBondContact N-O 2.86Å; T13-Y17 WeakPolarHBondContact OG1-CA 3.33Å; T13-Y17 WeakPolarHBondContact OG1-CB 3.27Å; T13-Y17 PolarHBondContact OG1-N 3.06Å; T13-Y17 PolarHBondContact OG1-O 2.81Å; D15-Y17 WeakPolarHBondContact OD2-CE2 3.26Å; Y17-R78 HydrophobicContact CD1-CB 3.55Å; Y17-R78 VanDerWaalsContact CD2-CZ 3.49Å; Y17-R78 VanDerWaalsContact CD2-NH1 3.28Å; Y17-R78 HydrophobicContact CE1-CB 4.03Å; Y17-R78 HydrophobicContact CG-CB 3.93Å; Y17-H86 AromaticContact CD1-CD2 3.94Å; Y17-H86 AromaticContact CD2-CD2 3.61Å; Y17-H86 AromaticContact CD2-NE2 3.81Å; Y17-H86 AromaticContact CE2-CD2 3.65Å; Y17-H86 AromaticContact CE2-NE2 3.72Å; Y17-H86 AromaticContact CG-CD2 3.75Å; Y17-H86 AromaticContact CZ-CD2 3.86Å; Y17-Y96 HydrophobicContact CD1-CE2 4.12Å; Y17-Y96 HydrophobicContact CE1-CD1 4.5Å; Y17-Y96 HydrophobicContact CE1-CD2 4.19Å; Y17-Y96 HydrophobicContact CE1-CE1 4.21Å; Y17-Y96 AromaticContact CE1-CE2 3.91Å; Y17-Y96 HydrophobicContact CE1-CE2 3.91Å; Y17-Y96 HydrophobicContact CE1-CG 4.43Å; Y17-Y96 AromaticContact CE1-CZ 3.85Å; Y17-Y96 WeakPolarHBondContact CE1-O 3.41Å; Y17-Y96 PolarHBondContact OH-O 2.93Å; Y17-F99 HydrophobicContact CE1-CD1 4.06Å; Y17-F99 HydrophobicContact CE1-CE1 4.13Å; Y17-F99 AromaticContact CZ-CD1 3.98Å |
| 18 | I | 98.8 | Very high | 93 | Very high | 45 Ų | 45 | 48.6 Ų | 48.6 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 110 | 177 | -52.3 | 173.5 | 0 | 0 | 0 | 107.4 | V11 V12 S85 V87 | V11-I18 CarbonylContact O-C 3.55Å; V11-I18 WeakPolarHBondContact O-CA 3.45Å; V12-I18 HydrophobicContact CG2-CG1 4.37Å; I18-S85 PolarHBondContact N-O 3.16Å; I18-V87 HydrophobicContact CD1-CG1 4.31Å; I18-V87 HydrophobicContact CG1-CG1 4.3Å |
| 19 | L | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 136.6 | -179.2 | -46.9 | 179.9 | 0 | 0 | 0 | 109.7 | S10 V11 T13 R78 S83 D108 M112 | S10-L19 CarbonylContact C-O 3.59Å; S10-L19 WeakPolarHBondContact CA-O 3.39Å; V11-L19 HydrophobicContact CB-CB 4.33Å; V11-L19 PolarHBondContact N-O 3.33Å; V11-L19 PolarHBondContact O-N 3.45Å; T13-L19 HydrophobicContact CG2-CD1 3.66Å; T13-L19 HydrophobicContact CG2-CD2 4.35Å; T13-L19 HydrophobicContact CG2-CG 3.86Å; L19-R78 HydrophobicContact CD2-CB 4.15Å; L19-S83 WeakPolarHBondContact CA-OG 3.31Å; L19-D108 HydrophobicContact CD1-CB 3.67Å; L19-M112 HydrophobicContact CD1-CG 3.97Å; L19-M112 HydrophobicContact CD1-SD 4.29Å |
| 20 | T | 98.4 | Very high | 88.4 | Confident | 29 Ų | 29 | 49 Ų | 49 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 111.1 | 173.6 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | H9 N76 Y82 S83 | H9-T20 CarbonylContact O-C 3.53Å; H9-T20 WeakPolarHBondContact O-CA 3.37Å; T20-N76 WeakPolarHBondContact O-CB 3.41Å; T20-N76 PolarHBondContact O-ND2 2.7Å; T20-Y82 WeakPolarHBondContact CB-O 3.38Å; T20-Y82 PolarHBondContact OG1-O 3.03Å; T20-S83 PolarHBondContact N-OG 2.83Å |
| 21 | M | 98.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 144 | 171.4 | -62.1 | -174.2 | 78.2 | 0 | 0 | 110.3 | E8 H9 V11 I40 W73 L74 M112 V116 | E8-M21 WeakPolarHBondContact CA-O 3.41Å; H9-M21 HydrophobicContact CB-CB 4.45Å; H9-M21 PolarHBondContact N-O 3.32Å; H9-M21 PolarHBondContact O-N 3.34Å; V11-M21 HydrophobicContact CG2-CG 4.04Å; V11-M21 HydrophobicContact CG2-SD 3.77Å; M21-I40 HydrophobicContact CE-CD1 4.45Å; M21-I40 HydrophobicContact CE-CG1 4.45Å; M21-W73 HydrophobicContact CB-CE3 4.46Å; M21-W73 HydrophobicContact CE-CB 4.02Å; M21-W73 HydrophobicContact CE-CE3 4.24Å; M21-W73 HydrophobicContact SD-CE3 4.46Å; M21-L74 WeakPolarHBondContact CA-O 3.37Å; M21-M112 HydrophobicContact CE-CB 3.98Å; M21-M112 HydrophobicContact CE-CG 4.09Å; M21-M112 HydrophobicContact CE-SD 4.03Å; M21-M112 HydrophobicContact CG-CG 4.21Å; M21-M112 HydrophobicContact CG-SD 4.21Å; M21-M112 HydrophobicContact SD-CB 3.71Å; M21-M112 HydrophobicContact SD-CG 3.53Å; M21-M112 VanDerWaalsContact SD-CG 3.53Å; M21-M112 HydrophobicContact SD-SD 4.03Å; M21-V116 HydrophobicContact CE-CG2 4.02Å; M21-V116 HydrophobicContact SD-CG2 4.34Å |
| 22 | Q | 97.9 | Very high | 83 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 2% | 0.023 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.6 | 167.9 | -70 | 83 | 22.3 | 0 | 0 | 109.8 | M1 Q7 E8 S49 L74 N76 | M1-Q22 HydrophobicContact CE-CB 4.37Å; M1-Q22 HydrophobicContact CE-CG 4.36Å; Q7-Q22 CarbonylContact O-C 3.51Å; Q7-Q22 WeakPolarHBondContact O-CA 3.47Å; E8-Q22 HydrophobicContact CG-CG 4.28Å; Q22-S49 VanDerWaalsContact OE1-CB 3.28Å; Q22-S49 PolarHBondContact OE1-OG 2.75Å; Q22-L74 HydrophobicContact CB-CB 4.31Å; Q22-L74 HydrophobicContact CB-CD1 4.26Å; Q22-L74 PolarHBondContact N-O 3.37Å; Q22-L74 VanDerWaalsContact N-O 3.14Å; Q22-L74 PolarHBondContact O-N 3.14Å; Q22-N76 PolarHBondContact OE1-ND2 2.92Å |
| 23 | R | 96.1 | Very high | 80.6 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.6 | 176.8 | -175.7 | -167.3 | -175.9 | -167.6 | 6.1 | 110 | C6 Q7 D71 V72 W73 | C6-R23 VanDerWaalsContact CA-O 3.31Å; C6-R23 WeakPolarHBondContact CA-O 3.31Å; Q7-R23 HydrophobicContact CB-CB 4.32Å; Q7-R23 PolarHBondContact N-O 3.37Å; Q7-R23 PolarHBondContact O-N 2.86Å; R23-D71 IonicContact CZ-OD1 3.45Å; R23-D71 IonicContact CZ-OD2 3.33Å; R23-D71 IonicContact NE-OD1 2.74Å; R23-D71 PolarHBondContact NE-OD1 3.28Å; R23-D71 IonicContact NE-OD2 3.13Å; R23-D71 PolarHBondContact NE-OD2 3.3Å; R23-D71 VanDerWaalsContact NE-OD2 3.13Å; R23-D71 VanDerWaalsContact NH2-CG 3.29Å; R23-D71 IonicContact NH2-OD1 3.33Å; R23-D71 PolarHBondContact NH2-OD1 3.04Å; R23-D71 IonicContact NH2-OD2 2.73Å; R23-D71 PolarHBondContact NH2-OD2 3.33Å; R23-V72 CarbonylContact C-O 3.6Å; R23-V72 VanDerWaalsContact CA-O 3.31Å; R23-V72 WeakPolarHBondContact CA-O 3.46Å; R23-W73 HydrophobicContact CB-CD2 4.15Å; R23-W73 HydrophobicContact CB-CE3 4.04Å; R23-W73 HydrophobicContact CB-CH2 4.47Å; R23-W73 HydrophobicContact CB-CZ3 4.21Å; R23-W73 VanDerWaalsContact CD-CZ2 3.42Å; R23-W73 HydrophobicContact CG-CD2 3.94Å; R23-W73 HydrophobicContact CG-CE3 4.31Å; R23-W73 HydrophobicContact CG-CG 4.45Å; R23-W73 HydrophobicContact CG-CH2 4.39Å; R23-W73 HydrophobicContact CG-CZ2 4.01Å |
| 24 | L | 92.9 | Very high | 78.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112.8 | 169.6 | -55.4 | 172.7 | 0 | 0 | 0 | 108.3 | M1 C6 V53 F63 A66 V72 L74 | M1-L24 HydrophobicContact CB-CD2 4.19Å; M1-L24 HydrophobicContact CE-CD2 4.34Å; M1-L24 HydrophobicContact CG-CD2 3.89Å; M1-L24 HydrophobicContact SD-CD2 4.32Å; C6-L24 HydrophobicContact CB-CD2 4.25Å; L24-V53 HydrophobicContact CD1-CG1 3.79Å; L24-F63 HydrophobicContact CD1-CD1 4.18Å; L24-F63 HydrophobicContact CD1-CE1 4.28Å; L24-A66 HydrophobicContact CB-CB 4.39Å; L24-V72 HydrophobicContact CB-CB 4.23Å; L24-V72 PolarHBondContact N-O 2.87Å; L24-V72 PolarHBondContact O-N 2.72Å; L24-V72 VanDerWaalsContact O-N 3.13Å; L24-L74 HydrophobicContact CD1-CD1 4.27Å; L24-L74 HydrophobicContact CG-CD1 4.38Å |
| 25 | A | 80.9 | Confident | 76.6 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | trans | -69.6 | 146.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | T27 | A25-T27 PolarHBondContact O-N 2.97Š| ||
| 26 | S | 74.8 | Confident | 75.8 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | trans | -50.1 | 129.7 | 172.1 | 165.4 | 0 | 0 | 0 | 0 | 110.7 | R28 | S26-R28 VanDerWaalsContact C-N 3.25Å; S26-R28 PolarHBondContact OG-N 3.37Å | ||
| 27 | T | 69.9 | Low | 75.3 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -78.3 | -14.2 | 176.8 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | Y4 A25 A66 D67 | Y4-T27 HydrophobicContact CD1-CG2 3.48Å; Y4-T27 VanDerWaalsContact CD1-CG2 3.48Å; Y4-T27 HydrophobicContact CE1-CG2 3.47Å; Y4-T27 VanDerWaalsContact CE1-CG2 3.47Å; A25-T27 PolarHBondContact O-N 2.97Å; T27-A66 PolarHBondContact N-O 2.81Å; T27-D67 WeakPolarHBondContact CG2-OD1 2.94Å; T27-D67 WeakPolarHBondContact OG1-CA 3.42Å; T27-D67 PolarHBondContact OG1-OD1 3.36Å |
| 28 | R | 61.8 | Low | 75.1 | Confident | 182 Ų | 182 | 65 Ų | 65 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -89.1 | -17.1 | -176.1 | -75.7 | -174.4 | 168.4 | -177.3 | -1.6 | 114.3 | S26 D67 | S26-R28 VanDerWaalsContact C-N 3.25Å; S26-R28 PolarHBondContact OG-N 3.37Å; R28-D67 WeakPolarHBondContact CD-O 3.36Å; R28-D67 PolarHBondContact NE-O 2.94Å; R28-D67 VanDerWaalsContact NE-O 3.13Å |
| 29 | D | 51.7 | Low | 75 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | trans | -129.6 | 55.4 | -166.3 | -73.4 | -43.9 | 0 | 0 | 0 | 115.8 | G31 M32 | D29-G31 PolarHBondContact O-N 3.21Å; D29-M32 WeakPolarHBondContact OD1-CB 3.28Å | ||
| 30 | A | 47.5 | Very low | 75 | Confident | 119 Ų | 119 | 62.8 Ų | 62.8 | 98% | 0.983 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -71.8 | -1.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 31 | G | 41.4 | Very low | 75 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 75% | 0.753 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -140.8 | -10 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | D29 | D29-G31 PolarHBondContact O-N 3.21Š|
| 32 | M | 42.5 | Very low | 75 | Confident | 141 Ų | 141 | 61.4 Ų | 61.4 | 70% | 0.695 | 35% | 0.347 | S | S | * | . | trans | -119.7 | 130 | 174.1 | -58.1 | -153.5 | -173.5 | 0 | 0 | 111.5 | D29 K34 | D29-M32 WeakPolarHBondContact OD1-CB 3.28Å; M32-K34 PolarHBondContact O-N 3.36Å | ||
| 33 | N | 47.4 | Very low | 74.9 | Confident | 180 Ų | 180 | 61.2 Ų | 61.2 | 96% | 0.963 | 35% | 0.346 | S | S | * | . | trans | -66.1 | 43.4 | 173.7 | -78.4 | -15.8 | 0 | 0 | 0 | 112.9 | ||||
| 34 | K | 53.9 | Low | 74.9 | Confident | 162 Ų | 162 | 58.7 Ų | 58.7 | 70% | 0.704 | 34% | 0.337 | S | S | * | . | trans | -83.7 | 123.3 | 167.5 | -101.2 | -175.6 | 171.1 | -173.8 | 0 | 107.9 | M32 V36 | M32-K34 PolarHBondContact O-N 3.36Å; K34-V36 WeakPolarHBondContact O-CG2 3.21Å; K34-V36 PolarHBondContact O-N 2.68Å; K34-V36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | T | 60.1 | Low | 74.8 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 76% | 0.761 | 35% | 0.345 | S | S | * | . | trans | -57.9 | 112.4 | 160.7 | 39.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 36 | V | 80.3 | Confident | 75.2 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 117.5 | -176 | 173.9 | 0 | 0 | 0 | 0 | 107.7 | K34 P38 G69 Y70 D71 H122 | K34-V36 WeakPolarHBondContact O-CG2 3.21Å; K34-V36 PolarHBondContact O-N 2.68Å; K34-V36 VanDerWaalsContact O-N 3.12Å; V36-P38 WeakPolarHBondContact O-CD 3.32Å; V36-G69 WeakPolarHBondContact CG1-O 3.07Å; V36-Y70 VanDerWaalsContact CG1-CA 3.47Å; V36-D71 HydrophobicContact CB-CB 4.26Å; V36-D71 HydrophobicContact CG1-CB 3.69Å; V36-H122 PolarHBondContact O-CE1 3.27Å; V36-H122 PolarHBondContact O-NE2 2.99Å |
| 37 | E | 88.6 | Confident | 76.1 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 125.2 | -179 | -166.7 | 66.9 | -171.2 | 0 | 0 | 110.5 | D71 H122 S124 | E37-D71 PolarHBondContact O-N 2.93Å; E37-H122 IonicContact OE2-CE1 3.33Å; E37-H122 PolarHBondContact OE2-CE1 3Å; E37-H122 IonicContact OE2-ND1 2.86Å; E37-H122 PolarHBondContact OE2-ND1 3.23Å; E37-S124 VanDerWaalsContact OE1-C 3.26Å; E37-S124 PolarHBondContact OE1-OG 2.91Å |
| 38 | P | 94.7 | Very high | 77.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.8 | 178 | 24.5 | -28.8 | 0 | 0 | 0 | 112 | V36 D71 V116 T120 H122 L125 D126 | V36-P38 WeakPolarHBondContact O-CD 3.32Å; P38-D71 CarbonylContact C-O 3.56Å; P38-D71 VanDerWaalsContact CA-O 3.31Å; P38-D71 WeakPolarHBondContact CA-O 3.16Å; P38-V116 HydrophobicContact CB-CG1 3.66Å; P38-V116 HydrophobicContact CG-CG1 4.15Å; P38-T120 HydrophobicContact CB-CG2 4.23Å; P38-T120 HydrophobicContact CG-CG2 4.42Å; P38-H122 WeakPolarHBondContact CD-ND1 3.39Å; P38-H122 HydrophobicContact CG-CB 4.11Å; P38-L125 HydrophobicContact CB-CB 4.21Å; P38-L125 HydrophobicContact CG-CB 3.73Å; P38-L125 WeakPolarHBondContact O-CA 3.33Å; P38-L125 WeakPolarHBondContact O-CB 3.41Å; P38-D126 PolarHBondContact O-N 3.26Å |
| 39 | V | 96.6 | Very high | 78.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 118.4 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | L41 L65 Y70 D71 W73 D126 V128 | V39-L41 HydrophobicContact CG1-CD2 3.92Å; V39-L65 HydrophobicContact CG1-CD1 4.05Å; V39-Y70 HydrophobicContact CG2-CD1 3.59Å; V39-Y70 HydrophobicContact CG2-CE1 4.4Å; V39-Y70 HydrophobicContact CG2-CG 3.93Å; V39-D71 PolarHBondContact N-O 3.1Å; V39-W73 PolarHBondContact O-N 2.87Å; V39-D126 CarbonylContact C-O 3.57Å; V39-D126 WeakPolarHBondContact CA-O 3.39Å; V39-D126 HydrophobicContact CG1-CB 4.18Å; V39-D126 HydrophobicContact CG2-CB 4.18Å; V39-V128 HydrophobicContact CG1-CG2 3.91Å |
| 40 | I | 98.3 | Very high | 81 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.3 | 171.5 | -66.4 | 178.2 | 0 | 0 | 0 | 109.7 | M21 W73 V113 V116 L125 D126 Y127 V128 | M21-I40 HydrophobicContact CE-CD1 4.45Å; M21-I40 HydrophobicContact CE-CG1 4.45Å; I40-W73 CarbonylContact C-O 3.59Å; I40-W73 VanDerWaalsContact CA-O 3.29Å; I40-W73 WeakPolarHBondContact CA-O 3.41Å; I40-W73 HydrophobicContact CG1-CB 4Å; I40-V113 HydrophobicContact CD1-CG2 4.01Å; I40-V116 HydrophobicContact CD1-CB 4.34Å; I40-V116 HydrophobicContact CD1-CG2 3.98Å; I40-V116 HydrophobicContact CG1-CG2 4.22Å; I40-L125 HydrophobicContact CB-CD1 4.36Å; I40-L125 HydrophobicContact CD1-CD1 3.89Å; I40-L125 HydrophobicContact CD1-CD2 3.6Å; I40-L125 HydrophobicContact CD1-CG 4.46Å; I40-L125 HydrophobicContact CG1-CD1 4.05Å; I40-L125 HydrophobicContact CG1-CD2 4.11Å; I40-D126 PolarHBondContact N-O 3.11Å; I40-Y127 HydrophobicContact CB-CD2 4.08Å; I40-Y127 HydrophobicContact CG2-CD2 3.84Å; I40-Y127 HydrophobicContact CG2-CE2 4.02Å; I40-V128 PolarHBondContact O-N 3.29Å |
| 41 | L | 98.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.7 | 171.3 | -55.6 | -172.4 | 0 | 0 | 0 | 110.1 | V39 W52 L61 L65 V72 W73 L74 G75 V128 | V39-L41 HydrophobicContact CG1-CD2 3.92Å; L41-W52 VanDerWaalsContact C-NE1 3.34Å; L41-W52 HydrophobicContact CB-CD2 3.83Å; L41-W52 HydrophobicContact CB-CG 3.77Å; L41-W52 HydrophobicContact CB-CZ2 4.29Å; L41-W52 HydrophobicContact CD1-CB 3.92Å; L41-W52 HydrophobicContact CD1-CD2 4.02Å; L41-W52 HydrophobicContact CD1-CE3 4.3Å; L41-W52 HydrophobicContact CD1-CG 3.88Å; L41-W52 HydrophobicContact CG-CD2 4.47Å; L41-W52 HydrophobicContact CG-CG 4.49Å; L41-W52 PolarHBondContact O-NE1 3.37Å; L41-L61 HydrophobicContact CD1-CD2 4.4Å; L41-L61 HydrophobicContact CD1-CG 4.26Å; L41-L61 HydrophobicContact CD2-CD2 4.01Å; L41-L61 HydrophobicContact CD2-CG 4.49Å; L41-L65 HydrophobicContact CD1-CD1 4.13Å; L41-L65 HydrophobicContact CD2-CD1 3.73Å; L41-L65 HydrophobicContact CG-CD1 4.35Å; L41-V72 HydrophobicContact CD1-CG1 3.7Å; L41-V72 HydrophobicContact CG-CG1 3.99Å; L41-W73 PolarHBondContact N-O 2.94Å; L41-L74 HydrophobicContact CB-CD2 4.04Å; L41-L74 HydrophobicContact CD1-CD2 3.73Å; L41-L74 HydrophobicContact CG-CD2 4.18Å; L41-G75 PolarHBondContact O-N 2.89Å; L41-V128 HydrophobicContact CD2-CB 3.58Å; L41-V128 HydrophobicContact CD2-CG1 4.27Å; L41-V128 HydrophobicContact CD2-CG2 3.74Å |
| 42 | Q | 98.5 | Very high | 86 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.7 | -177 | -173.1 | 53.9 | 62.4 | 0 | 0 | 111.9 | W52 Y127 V128 H130 | Q42-W52 WeakPolarHBondContact O-CZ2 3.39Å; Q42-Y127 HydrophobicContact CB-CE1 4.5Å; Q42-Y127 HydrophobicContact CB-CE2 3.61Å; Q42-Y127 WeakPolarHBondContact CB-OH 3.29Å; Q42-Y127 HydrophobicContact CG-CE2 4.27Å; Q42-Y127 WeakPolarHBondContact CG-OH 3.28Å; Q42-V128 PolarHBondContact N-O 2.98Å; Q42-H130 PolarHBondContact O-N 3Å |
| 43 | H | 97.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -70.5 | 170.3 | -179.7 | 68.9 | 75.8 | 0 | 0 | 0 | 113.1 | Q47 S48 G75 I77 N80 H130 G133 | H43-Q47 HydrophobicContact CB-CB 3.77Å; H43-Q47 VanDerWaalsContact CE1-C 3.47Å; H43-Q47 PolarHBondContact CE1-O 3.24Å; H43-Q47 VanDerWaalsContact ND1-C 3.26Å; H43-Q47 PolarHBondContact ND1-O 3Å; H43-Q47 VanDerWaalsContact ND1-O 3.16Å; H43-Q47 PolarHBondContact NE2-O 2.92Å; H43-S48 WeakPolarHBondContact CB-O 3.39Å; H43-S48 WeakPolarHBondContact CD2-CA 3.21Å; H43-G75 PolarHBondContact CD2-O 3.42Å; H43-G75 VanDerWaalsContact CD2-O 3.24Å; H43-I77 WeakPolarHBondContact CE1-CG1 3.24Å; H43-N80 PolarHBondContact NE2-ND2 3.46Å; H43-H130 CarbonylContact C-O 3.17Å; H43-G133 PolarHBondContact O-N 3.29Å | ||
| 44 | G | 94.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | trans | -90.2 | -163.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q47 H130 | G44-Q47 PolarHBondContact O-N 3.17Å; G44-H130 WeakPolarHBondContact CA-O 3.37Å; G44-H130 PolarHBondContact N-O 3.15Å | ||
| 45 | L | 91.7 | Very high | 92.7 | Very high | 31 Ų | 31 | 14.6 Ų | 14.6 | 16% | 0.162 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 133.5 | 178.7 | 176.3 | 63.2 | 0 | 0 | 0 | 110.7 | Q47 Q132 T230 N234 I235 F238 | L45-Q47 PolarHBondContact O-N 3.07Å; L45-Q47 VanDerWaalsContact O-N 3.15Å; L45-Q132 VanDerWaalsContact CA-OE1 3.25Å; L45-Q132 HydrophobicContact CB-CB 4.16Å; L45-Q132 VanDerWaalsContact CB-OE1 3.32Å; L45-T230 HydrophobicContact CD1-CG2 4.31Å; L45-N234 WeakPolarHBondContact CD1-ND2 3.36Å; L45-I235 HydrophobicContact CD1-CD1 3.89Å; L45-I235 HydrophobicContact CD2-CD1 4.18Å; L45-I235 HydrophobicContact CG-CD1 4.42Å; L45-F238 HydrophobicContact CB-CE2 4.43Å; L45-F238 HydrophobicContact CB-CZ 4.39Å; L45-F238 HydrophobicContact CD1-CD2 4.22Å; L45-F238 HydrophobicContact CD1-CE2 4Å; L45-F238 HydrophobicContact CD2-CD1 4.35Å; L45-F238 HydrophobicContact CD2-CD2 3.96Å; L45-F238 HydrophobicContact CD2-CE1 4.44Å; L45-F238 HydrophobicContact CD2-CE2 4.04Å; L45-F238 HydrophobicContact CD2-CG 4.13Å; L45-F238 HydrophobicContact CD2-CZ 4.29Å; L45-F238 HydrophobicContact CG-CE2 4.37Å |
| 46 | L | 89.4 | Confident | 94.3 | Very high | 28 Ų | 28 | 13.4 Ų | 13.4 | 15% | 0.147 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 12.7 | -179.4 | -63.5 | 168.1 | 0 | 0 | 0 | 115.4 | F176 P227 A228 T230 I235 | L46-F176 HydrophobicContact CD1-CD1 4.36Å; L46-F176 HydrophobicContact CD1-CE1 4.08Å; L46-F176 HydrophobicContact CD2-CD1 3.8Å; L46-F176 HydrophobicContact CD2-CE1 4.34Å; L46-P227 HydrophobicContact CB-CB 3.85Å; L46-P227 HydrophobicContact CD1-CB 4.41Å; L46-P227 HydrophobicContact CD2-CB 3.99Å; L46-P227 HydrophobicContact CG-CB 4.31Å; L46-P227 CarbonylContact O-C 3.54Å; L46-P227 VanDerWaalsContact O-CA 3.31Å; L46-P227 WeakPolarHBondContact O-CA 3.45Å; L46-A228 PolarHBondContact O-N 3.16Å; L46-T230 HydrophobicContact CD2-CG2 3.35Å; L46-T230 HydrophobicContact CG-CG2 4.17Å; L46-I235 HydrophobicContact CD1-CD1 4.47Å |
| 47 | Q | 92.6 | Very high | 95 | Very high | 8 Ų | 8 | 13.7 Ų | 13.7 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | trans | -102.7 | -179.1 | -178.3 | -71.1 | -175.7 | -57.9 | 0 | 0 | 112.4 | H43 G44 L45 D51 H130 N226 A228 | H43-Q47 HydrophobicContact CB-CB 3.77Å; H43-Q47 VanDerWaalsContact CE1-C 3.47Å; H43-Q47 PolarHBondContact CE1-O 3.24Å; H43-Q47 VanDerWaalsContact ND1-C 3.26Å; H43-Q47 PolarHBondContact ND1-O 3Å; H43-Q47 VanDerWaalsContact ND1-O 3.16Å; H43-Q47 PolarHBondContact NE2-O 2.92Å; G44-Q47 PolarHBondContact O-N 3.17Å; L45-Q47 PolarHBondContact O-N 3.07Å; L45-Q47 VanDerWaalsContact O-N 3.15Å; Q47-D51 VanDerWaalsContact CB-OD2 3.26Å; Q47-D51 WeakPolarHBondContact CB-OD2 3.2Å; Q47-H130 PolarHBondContact OE1-CE1 2.98Å; Q47-H130 PolarHBondContact OE1-ND1 3Å; Q47-N226 WeakPolarHBondContact CA-OD1 3.34Å; Q47-A228 WeakPolarHBondContact O-CB 3.24Å | ||
| 48 | S | 94.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | trans | -142.5 | 176.3 | 172.3 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | H43 V50 D51 | H43-S48 WeakPolarHBondContact CB-O 3.39Å; H43-S48 WeakPolarHBondContact CD2-CA 3.21Å; S48-V50 PolarHBondContact O-N 3.1Å; S48-V50 PolarHBondContact OG-N 3.09Å; S48-D51 PolarHBondContact N-OD2 3.14Å; S48-D51 PolarHBondContact O-N 3.44Å; S48-D51 VanDerWaalsContact O-N 3.15Å; S48-D51 VanDerWaalsContact O-OD2 3.1Å | ||
| 49 | S | 97.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -52.1 | -27.5 | 172.9 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | Q22 D51 W52 N76 | Q22-S49 VanDerWaalsContact OE1-CB 3.28Å; Q22-S49 PolarHBondContact OE1-OG 2.75Å; S49-D51 PolarHBondContact O-N 3.13Å; S49-W52 PolarHBondContact O-N 3.18Å; S49-N76 WeakPolarHBondContact CB-ND2 3.36Å; S49-N76 PolarHBondContact N-OD1 2.91Å; S49-N76 PolarHBondContact OG-ND2 2.92Å; S49-N76 PolarHBondContact OG-OD1 3.31Å |
| 50 | V | 95.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 18.6 Ų | 18.6 | 12% | 0.121 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -58.1 | -33.1 | 179.6 | 166.5 | 0 | 0 | 0 | 0 | 112.4 | S48 W52 V53 I54 Y82 H225 | S48-V50 PolarHBondContact O-N 3.1Å; S48-V50 PolarHBondContact OG-N 3.09Å; V50-W52 PolarHBondContact O-N 2.92Å; V50-W52 VanDerWaalsContact O-N 3.12Å; V50-V53 CarbonylContact O-C 3.58Å; V50-V53 VanDerWaalsContact O-CG2 3.23Å; V50-V53 WeakPolarHBondContact O-CG2 3.26Å; V50-V53 PolarHBondContact O-N 3Å; V50-I54 HydrophobicContact CG1-CB 4.25Å; V50-I54 HydrophobicContact CG1-CD1 4.01Å; V50-I54 HydrophobicContact CG1-CG1 4.02Å; V50-I54 WeakPolarHBondContact O-CA 3.3Å; V50-I54 WeakPolarHBondContact O-CB 3.17Å; V50-I54 PolarHBondContact O-N 3.04Å; V50-Y82 HydrophobicContact CG2-CE2 3.95Å; V50-Y82 WeakPolarHBondContact CG2-OH 3.3Å; V50-H225 HydrophobicContact CG1-CB 4.07Å |
| 51 | D | 95.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -60.9 | -27.1 | -175.3 | -67.6 | -71.6 | 0 | 0 | 0 | 112.6 | Q47 S48 S49 V53 I54 N226 M319 W320 | Q47-D51 VanDerWaalsContact CB-OD2 3.26Å; Q47-D51 WeakPolarHBondContact CB-OD2 3.2Å; S48-D51 PolarHBondContact N-OD2 3.14Å; S48-D51 PolarHBondContact O-N 3.44Å; S48-D51 VanDerWaalsContact O-N 3.15Å; S48-D51 VanDerWaalsContact O-OD2 3.1Å; S49-D51 PolarHBondContact O-N 3.13Å; D51-V53 VanDerWaalsContact C-N 3.25Å; D51-V53 PolarHBondContact O-N 3.23Å; D51-I54 WeakPolarHBondContact O-CG2 3.13Å; D51-N226 PolarHBondContact OD1-ND2 3.23Å; D51-N226 PolarHBondContact OD2-OD1 3.09Å; D51-M319 HydrophobicContact CB-CE 3.18Å; D51-W320 PolarHBondContact OD1-NE1 3.2Å |
| 52 | W | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -75 | -11.1 | 175.3 | -62.6 | 117.8 | 0 | 0 | 0 | 114.6 | L41 Q42 S49 V50 S60 L61 G62 L74 V128 H130 F142 M319 | L41-W52 VanDerWaalsContact C-NE1 3.34Å; L41-W52 HydrophobicContact CB-CD2 3.83Å; L41-W52 HydrophobicContact CB-CG 3.77Å; L41-W52 HydrophobicContact CB-CZ2 4.29Å; L41-W52 HydrophobicContact CD1-CB 3.92Å; L41-W52 HydrophobicContact CD1-CD2 4.02Å; L41-W52 HydrophobicContact CD1-CE3 4.3Å; L41-W52 HydrophobicContact CD1-CG 3.88Å; L41-W52 HydrophobicContact CG-CD2 4.47Å; L41-W52 HydrophobicContact CG-CG 4.49Å; L41-W52 PolarHBondContact O-NE1 3.37Å; Q42-W52 WeakPolarHBondContact O-CZ2 3.39Å; S49-W52 PolarHBondContact O-N 3.18Å; V50-W52 PolarHBondContact O-N 2.92Å; V50-W52 VanDerWaalsContact O-N 3.12Å; W52-S60 CarbonylContact O-C 3.54Å; W52-S60 WeakPolarHBondContact O-CB 3.32Å; W52-L61 HydrophobicContact CE3-CB 3.98Å; W52-L61 HydrophobicContact CE3-CD2 3.82Å; W52-L61 HydrophobicContact CE3-CG 4.43Å; W52-L61 HydrophobicContact CH2-CD2 4.33Å; W52-L61 HydrophobicContact CZ3-CB 4.33Å; W52-L61 HydrophobicContact CZ3-CD2 3.5Å; W52-L61 PolarHBondContact O-N 3.28Å; W52-G62 PolarHBondContact O-N 3.34Å; W52-L74 HydrophobicContact CB-CD2 4.02Å; W52-L74 HydrophobicContact CG-CD2 4.46Å; W52-V128 HydrophobicContact CH2-CG1 4.21Å; W52-H130 HydrophobicContact CH2-CB 3.78Å; W52-H130 HydrophobicContact CZ2-CB 3.89Å; W52-F142 HydrophobicContact CH2-CD2 4.1Å; W52-F142 HydrophobicContact CZ3-CD2 4.38Å; W52-M319 HydrophobicContact CD2-CE 3.45Å; W52-M319 VanDerWaalsContact CD2-CE 3.45Å; W52-M319 HydrophobicContact CD2-SD 3.96Å; W52-M319 HydrophobicContact CE3-CE 3.62Å; W52-M319 HydrophobicContact CE3-SD 3.59Å; W52-M319 VanDerWaalsContact CE3-SD 3.59Å; W52-M319 HydrophobicContact CG-CE 3.97Å; W52-M319 HydrophobicContact CH2-CE 4.1Å; W52-M319 HydrophobicContact CH2-SD 3.35Å; W52-M319 WeakPolarHBondContact CH2-SD 3.45Å; W52-M319 HydrophobicContact CZ2-CE 3.93Å; W52-M319 HydrophobicContact CZ2-SD 3.72Å; W52-M319 HydrophobicContact CZ3-CE 3.94Å; W52-M319 HydrophobicContact CZ3-SD 3.26Å; W52-M319 WeakPolarHBondContact CZ3-SD 3.41Å |
| 53 | V | 96.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 18.7 Ų | 18.7 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -132.8 | 13 | -175.9 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | M1 L24 V50 D51 N55 F63 L74 | M1-V53 HydrophobicContact CE-CG2 4.47Å; M1-V53 HydrophobicContact SD-CG2 4.24Å; L24-V53 HydrophobicContact CD1-CG1 3.79Å; V50-V53 CarbonylContact O-C 3.58Å; V50-V53 VanDerWaalsContact O-CG2 3.23Å; V50-V53 WeakPolarHBondContact O-CG2 3.26Å; V50-V53 PolarHBondContact O-N 3Å; D51-V53 VanDerWaalsContact C-N 3.25Å; D51-V53 PolarHBondContact O-N 3.23Å; V53-N55 PolarHBondContact O-N 3.22Å; V53-F63 HydrophobicContact CB-CD2 4.34Å; V53-F63 HydrophobicContact CB-CE1 4.37Å; V53-F63 HydrophobicContact CB-CE2 3.65Å; V53-F63 HydrophobicContact CB-CZ 3.66Å; V53-F63 HydrophobicContact CG1-CD1 4.42Å; V53-F63 HydrophobicContact CG1-CD2 4.36Å; V53-F63 HydrophobicContact CG1-CE1 4.07Å; V53-F63 HydrophobicContact CG1-CE2 4.02Å; V53-F63 HydrophobicContact CG1-CZ 3.86Å; V53-F63 WeakPolarHBondContact O-CE2 3.31Å; V53-L74 HydrophobicContact CG1-CD1 3.96Å; V53-L74 HydrophobicContact CG2-CD1 4.45Å |
| 54 | I | 94.1 | Very high | 95 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -76.6 | -26.5 | -168.3 | -156.7 | 162.3 | 0 | 0 | 0 | 112.9 | V50 D51 R218 V221 Y222 H225 | V50-I54 HydrophobicContact CG1-CB 4.25Å; V50-I54 HydrophobicContact CG1-CD1 4.01Å; V50-I54 HydrophobicContact CG1-CG1 4.02Å; V50-I54 WeakPolarHBondContact O-CA 3.3Å; V50-I54 WeakPolarHBondContact O-CB 3.17Å; V50-I54 PolarHBondContact O-N 3.04Å; D51-I54 WeakPolarHBondContact O-CG2 3.13Å; I54-R218 PolarHBondContact O-NE 3.08Å; I54-R218 PolarHBondContact O-NH2 3.24Å; I54-V221 HydrophobicContact CD1-CG1 4.47Å; I54-V221 HydrophobicContact CG1-CG1 3.89Å; I54-Y222 HydrophobicContact CD1-CD1 3.71Å; I54-Y222 HydrophobicContact CG1-CD1 3.89Å; I54-Y222 HydrophobicContact CG1-CE1 4.27Å; I54-Y222 HydrophobicContact CG2-CD1 4.21Å; I54-Y222 HydrophobicContact CG2-CE1 4.03Å; I54-H225 HydrophobicContact CD1-CB 4.35Å |
| 55 | N | 94.3 | Very high | 95 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -89.4 | -167.9 | 177.7 | -79.2 | -26.3 | 0 | 0 | 0 | 111.6 | R2 V53 Q59 S60 Y222 W320 | R2-N55 PolarHBondContact NE-O 3.39Å; R2-N55 PolarHBondContact NH2-O 3.44Å; V53-N55 PolarHBondContact O-N 3.22Å; N55-Q59 HydrophobicContact CB-CB 3.88Å; N55-S60 VanDerWaalsContact CA-OG 3.28Å; N55-S60 WeakPolarHBondContact CA-OG 3.49Å; N55-S60 VanDerWaalsContact CB-OG 3.32Å; N55-S60 WeakPolarHBondContact CB-OG 3.27Å; N55-S60 PolarHBondContact N-OG 2.94Å; N55-S60 PolarHBondContact O-OG 3.23Å; N55-Y222 WeakPolarHBondContact OD1-CE1 3.42Å; N55-Y222 PolarHBondContact OD1-OH 3.05Å; N55-W320 PolarHBondContact ND2-O 3.36Å |
| 56 | Y | 94.5 | Very high | 95.1 | Very high | 99 Ų | 99 | 18.8 Ų | 18.8 | 39% | 0.388 | 10% | 0.095 | S | C | . | . | trans | -71.2 | 160.8 | 173.5 | -65 | -78.1 | 0 | 0 | 0 | 111.1 | N58 Q59 S60 | Y56-N58 VanDerWaalsContact C-N 3.29Å; Y56-N58 WeakPolarHBondContact CB-OD1 3.34Å; Y56-N58 PolarHBondContact O-N 3.18Å; Y56-Q59 CarbonylContact O-C 3.34Å; Y56-Q59 PolarHBondContact O-N 3.23Å; Y56-S60 PolarHBondContact O-N 2.91Å; Y56-S60 VanDerWaalsContact O-N 3.07Å; Y56-S60 PolarHBondContact O-OG 3.05Å | ||
| 57 | P | 94.5 | Very high | 95.3 | Very high | 35 Ų | 35 | 19.9 Ų | 19.9 | 23% | 0.227 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -53.4 | -42.5 | -178.6 | -29 | 38.1 | 0 | 0 | 0 | 114.3 | R2 Y4 Q59 F63 | R2-P57 HydrophobicContact CB-CG 4.28Å; Y4-P57 HydrophobicContact CE2-CB 3.98Å; Y4-P57 HydrophobicContact CE2-CG 4.13Å; Y4-P57 WeakPolarHBondContact OH-CB 3.38Å; P57-Q59 PolarHBondContact O-N 3.03Å; P57-Q59 VanDerWaalsContact O-N 3.11Å; P57-F63 HydrophobicContact CB-CB 4.17Å; P57-F63 HydrophobicContact CB-CD2 4.26Å; P57-F63 HydrophobicContact CB-CG 4.26Å; P57-F63 HydrophobicContact CG-CD2 4.46Å; P57-F63 WeakPolarHBondContact O-CB 3.36Å |
| 58 | N | 94.7 | Very high | 95.2 | Very high | 109 Ų | 109 | 21.5 Ų | 21.5 | 58% | 0.583 | 12% | 0.116 | S | C | * | . | G | 310 helix | trans | -74.7 | 4.9 | 177.3 | 68.4 | -30.9 | 0 | 0 | 0 | 114.9 | Y56 A325 | Y56-N58 VanDerWaalsContact C-N 3.29Å; Y56-N58 WeakPolarHBondContact CB-OD1 3.34Å; Y56-N58 PolarHBondContact O-N 3.18Å; N58-A325 WeakPolarHBondContact O-CB 3.33Å |
| 59 | Q | 95.8 | Very high | 95 | Very high | 34 Ų | 34 | 22.3 Ų | 22.3 | 16% | 0.159 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -132 | -7.8 | -175 | -72.1 | -179.4 | -30 | 0 | 0 | 113.7 | N55 Y56 P57 Y329 | N55-Q59 HydrophobicContact CB-CB 3.88Å; Y56-Q59 CarbonylContact O-C 3.34Å; Y56-Q59 PolarHBondContact O-N 3.23Å; P57-Q59 PolarHBondContact O-N 3.03Å; P57-Q59 VanDerWaalsContact O-N 3.11Å; Q59-Y329 WeakPolarHBondContact O-CE2 3.42Å |
| 60 | S | 96.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | trans | -111.8 | 127.6 | -176.4 | -35.8 | 0 | 0 | 0 | 0 | 109.2 | W52 N55 Y56 G62 F63 L64 | W52-S60 CarbonylContact O-C 3.54Å; W52-S60 WeakPolarHBondContact O-CB 3.32Å; N55-S60 VanDerWaalsContact CA-OG 3.28Å; N55-S60 WeakPolarHBondContact CA-OG 3.49Å; N55-S60 VanDerWaalsContact CB-OG 3.32Å; N55-S60 WeakPolarHBondContact CB-OG 3.27Å; N55-S60 PolarHBondContact N-OG 2.94Å; N55-S60 PolarHBondContact O-OG 3.23Å; Y56-S60 PolarHBondContact O-N 2.91Å; Y56-S60 VanDerWaalsContact O-N 3.07Å; Y56-S60 PolarHBondContact O-OG 3.05Å; S60-G62 PolarHBondContact O-N 3.24Å; S60-F63 PolarHBondContact O-N 2.97Å; S60-F63 VanDerWaalsContact O-N 3.07Å; S60-L64 WeakPolarHBondContact O-CG 3.2Å; S60-L64 PolarHBondContact O-N 2.73Å | ||
| 61 | L | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.5 | -39.4 | -173.6 | -179.6 | 61.3 | 0 | 0 | 0 | 112.7 | L41 W52 F63 L64 L65 V128 F142 Y329 L332 | L41-L61 HydrophobicContact CD1-CD2 4.4Å; L41-L61 HydrophobicContact CD1-CG 4.26Å; L41-L61 HydrophobicContact CD2-CD2 4.01Å; L41-L61 HydrophobicContact CD2-CG 4.49Å; W52-L61 HydrophobicContact CE3-CB 3.98Å; W52-L61 HydrophobicContact CE3-CD2 3.82Å; W52-L61 HydrophobicContact CE3-CG 4.43Å; W52-L61 HydrophobicContact CH2-CD2 4.33Å; W52-L61 HydrophobicContact CZ3-CB 4.33Å; W52-L61 HydrophobicContact CZ3-CD2 3.5Å; W52-L61 PolarHBondContact O-N 3.28Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F63 PolarHBondContact O-N 3.43Å; L61-L64 PolarHBondContact O-N 3.33Å; L61-L65 HydrophobicContact CD1-CD1 3.9Å; L61-L65 HydrophobicContact CD1-CD2 4.47Å; L61-L65 HydrophobicContact CD1-CG 3.83Å; L61-L65 HydrophobicContact CD2-CD1 4.41Å; L61-L65 HydrophobicContact CG-CD1 3.83Å; L61-L65 HydrophobicContact CG-CG 4.22Å; L61-L65 WeakPolarHBondContact O-CB 3.46Å; L61-L65 WeakPolarHBondContact O-CG 3.2Å; L61-L65 PolarHBondContact O-N 3.13Å; L61-V128 HydrophobicContact CD2-CG1 4.17Å; L61-F142 HydrophobicContact CD2-CE2 3.95Å; L61-Y329 HydrophobicContact CB-CD1 4.08Å; L61-Y329 HydrophobicContact CB-CD2 4.15Å; L61-Y329 HydrophobicContact CB-CE1 3.94Å; L61-Y329 HydrophobicContact CB-CE2 4.02Å; L61-Y329 HydrophobicContact CB-CG 4.2Å; L61-Y329 HydrophobicContact CD1-CD1 3.9Å; L61-Y329 HydrophobicContact CD1-CD2 4.47Å; L61-Y329 HydrophobicContact CD1-CG 3.85Å; L61-Y329 HydrophobicContact CD2-CD1 4.2Å; L61-Y329 HydrophobicContact CD2-CE1 4.24Å; L61-Y329 HydrophobicContact CG-CD1 4.28Å; L61-Y329 HydrophobicContact CG-CE1 4.48Å; L61-L332 HydrophobicContact CD1-CD2 3.82Å; L61-L332 HydrophobicContact CD2-CD2 3.75Å; L61-L332 HydrophobicContact CG-CD2 4.41Å |
| 62 | G | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | W52 S60 A66 | W52-G62 PolarHBondContact O-N 3.34Å; S60-G62 PolarHBondContact O-N 3.24Å; G62-A66 WeakPolarHBondContact O-CB 3.35Å; G62-A66 PolarHBondContact O-N 3.45Å |
| 63 | F | 95.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74 | -41.3 | 175.8 | -63.8 | -50.6 | 0 | 0 | 0 | 111.8 | R2 Y4 L24 V53 P57 S60 L61 L65 A66 D67 | R2-F63 HydrophobicContact CB-CZ 4.26Å; R2-F63 HydrophobicContact CG-CE2 4.44Å; R2-F63 HydrophobicContact CG-CZ 4.18Å; Y4-F63 AromaticContact CD1-CD1 3.84Å; Y4-F63 HydrophobicContact CD1-CD1 3.84Å; Y4-F63 HydrophobicContact CD1-CE1 4.43Å; Y4-F63 AromaticContact CD2-CD1 3.42Å; Y4-F63 HydrophobicContact CD2-CD1 3.42Å; Y4-F63 VanDerWaalsContact CD2-CD1 3.42Å; Y4-F63 AromaticContact CD2-CE1 3.5Å; Y4-F63 HydrophobicContact CD2-CE1 3.5Å; Y4-F63 VanDerWaalsContact CD2-CE1 3.5Å; Y4-F63 HydrophobicContact CD2-CG 4.37Å; Y4-F63 HydrophobicContact CD2-CZ 4.47Å; Y4-F63 HydrophobicContact CE1-CB 4.26Å; Y4-F63 AromaticContact CE1-CD1 3.88Å; Y4-F63 HydrophobicContact CE1-CD1 3.88Å; Y4-F63 HydrophobicContact CE1-CG 4.49Å; Y4-F63 HydrophobicContact CE2-CB 4.36Å; Y4-F63 AromaticContact CE2-CD1 3.5Å; Y4-F63 HydrophobicContact CE2-CD1 3.5Å; Y4-F63 VanDerWaalsContact CE2-CD1 3.5Å; Y4-F63 AromaticContact CE2-CE1 3.96Å; Y4-F63 HydrophobicContact CE2-CE1 3.96Å; Y4-F63 HydrophobicContact CE2-CG 4.03Å; Y4-F63 AromaticContact CG-CD1 3.63Å; Y4-F63 HydrophobicContact CG-CD1 3.63Å; Y4-F63 AromaticContact CG-CE1 3.79Å; Y4-F63 HydrophobicContact CG-CE1 3.79Å; Y4-F63 AromaticContact CZ-CD1 3.74Å; L24-F63 HydrophobicContact CD1-CD1 4.18Å; L24-F63 HydrophobicContact CD1-CE1 4.28Å; V53-F63 HydrophobicContact CB-CD2 4.34Å; V53-F63 HydrophobicContact CB-CE1 4.37Å; V53-F63 HydrophobicContact CB-CE2 3.65Å; V53-F63 HydrophobicContact CB-CZ 3.66Å; V53-F63 HydrophobicContact CG1-CD1 4.42Å; V53-F63 HydrophobicContact CG1-CD2 4.36Å; V53-F63 HydrophobicContact CG1-CE1 4.07Å; V53-F63 HydrophobicContact CG1-CE2 4.02Å; V53-F63 HydrophobicContact CG1-CZ 3.86Å; V53-F63 WeakPolarHBondContact O-CE2 3.31Å; P57-F63 HydrophobicContact CB-CB 4.17Å; P57-F63 HydrophobicContact CB-CD2 4.26Å; P57-F63 HydrophobicContact CB-CG 4.26Å; P57-F63 HydrophobicContact CG-CD2 4.46Å; P57-F63 WeakPolarHBondContact O-CB 3.36Å; S60-F63 PolarHBondContact O-N 2.97Å; S60-F63 VanDerWaalsContact O-N 3.07Å; L61-F63 VanDerWaalsContact C-N 3.32Å; L61-F63 PolarHBondContact O-N 3.43Å; F63-L65 VanDerWaalsContact C-N 3.33Å; F63-L65 PolarHBondContact O-N 2.74Å; F63-A66 PolarHBondContact O-N 2.91Å; F63-D67 PolarHBondContact O-N 3.35Å |
| 64 | L | 95.4 | Very high | 94.8 | Very high | 35 Ų | 35 | 22.1 Ų | 22.1 | 18% | 0.183 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 178.5 | -68.7 | 171.6 | 0 | 0 | 0 | 112.4 | S60 L61 A68 A325 Y329 I333 | S60-L64 WeakPolarHBondContact O-CG 3.2Å; S60-L64 PolarHBondContact O-N 2.73Å; L61-L64 PolarHBondContact O-N 3.33Å; L64-A68 VanDerWaalsContact O-CB 3.27Å; L64-A68 WeakPolarHBondContact O-CB 3.37Å; L64-A68 PolarHBondContact O-N 2.86Å; L64-A325 HydrophobicContact CD1-CB 3.83Å; L64-Y329 HydrophobicContact CD1-CD2 3.74Å; L64-Y329 HydrophobicContact CD1-CG 4.45Å; L64-I333 HydrophobicContact CB-CD1 4.38Å |
| 65 | L | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.4 | -43 | 175.1 | -74.3 | 171.8 | 0 | 0 | 0 | 111.9 | V39 L41 L61 F63 D67 A68 G69 Y70 V72 I333 L336 | V39-L65 HydrophobicContact CG1-CD1 4.05Å; L41-L65 HydrophobicContact CD1-CD1 4.13Å; L41-L65 HydrophobicContact CD2-CD1 3.73Å; L41-L65 HydrophobicContact CG-CD1 4.35Å; L61-L65 HydrophobicContact CD1-CD1 3.9Å; L61-L65 HydrophobicContact CD1-CD2 4.47Å; L61-L65 HydrophobicContact CD1-CG 3.83Å; L61-L65 HydrophobicContact CD2-CD1 4.41Å; L61-L65 HydrophobicContact CG-CD1 3.83Å; L61-L65 HydrophobicContact CG-CG 4.22Å; L61-L65 WeakPolarHBondContact O-CB 3.46Å; L61-L65 WeakPolarHBondContact O-CG 3.2Å; L61-L65 PolarHBondContact O-N 3.13Å; F63-L65 VanDerWaalsContact C-N 3.33Å; F63-L65 PolarHBondContact O-N 2.74Å; L65-D67 VanDerWaalsContact C-N 3.28Å; L65-D67 PolarHBondContact O-N 3.49Å; L65-A68 CarbonylContact O-C 3.58Å; L65-A68 PolarHBondContact O-N 2.88Å; L65-A68 VanDerWaalsContact O-N 3.14Å; L65-G69 PolarHBondContact O-N 3.25Å; L65-G69 VanDerWaalsContact O-N 3.09Å; L65-Y70 HydrophobicContact CB-CD2 4.3Å; L65-Y70 HydrophobicContact CD2-CD2 3.65Å; L65-Y70 HydrophobicContact CD2-CE2 3.96Å; L65-Y70 HydrophobicContact CD2-CG 4.24Å; L65-Y70 WeakPolarHBondContact O-CD2 3.29Å; L65-Y70 PolarHBondContact O-N 2.75Å; L65-V72 HydrophobicContact CB-CG2 3.5Å; L65-I333 HydrophobicContact CD2-CG1 3.91Å; L65-L336 HydrophobicContact CD2-CD1 3.73Å |
| 66 | A | 93.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y4 L24 T27 G62 F63 G69 V72 | Y4-A66 HydrophobicContact CD1-CB 4.23Å; Y4-A66 HydrophobicContact CE1-CB 4.24Å; L24-A66 HydrophobicContact CB-CB 4.39Å; T27-A66 PolarHBondContact N-O 2.81Å; G62-A66 WeakPolarHBondContact O-CB 3.35Å; G62-A66 PolarHBondContact O-N 3.45Å; F63-A66 PolarHBondContact O-N 2.91Å; A66-G69 PolarHBondContact O-N 3.13Å; A66-V72 HydrophobicContact CB-CG2 4.19Å |
| 67 | D | 92.1 | Very high | 95.3 | Very high | 51 Ų | 51 | 17.3 Ų | 17.3 | 27% | 0.273 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -75 | -26.9 | 175.6 | -70.5 | -24.4 | 0 | 0 | 0 | 113.6 | Y4 T27 R28 F63 L65 G69 | Y4-D67 VanDerWaalsContact CE1-OD1 3.29Å; Y4-D67 WeakPolarHBondContact CE1-OD1 3.19Å; Y4-D67 VanDerWaalsContact OH-CG 3.29Å; Y4-D67 PolarHBondContact OH-OD1 2.81Å; Y4-D67 PolarHBondContact OH-OD2 2.82Å; T27-D67 WeakPolarHBondContact CG2-OD1 2.94Å; T27-D67 WeakPolarHBondContact OG1-CA 3.42Å; T27-D67 PolarHBondContact OG1-OD1 3.36Å; R28-D67 WeakPolarHBondContact CD-O 3.36Å; R28-D67 PolarHBondContact NE-O 2.94Å; R28-D67 VanDerWaalsContact NE-O 3.13Å; F63-D67 PolarHBondContact O-N 3.35Å; L65-D67 VanDerWaalsContact C-N 3.28Å; L65-D67 PolarHBondContact O-N 3.49Å; D67-G69 PolarHBondContact O-N 3.24Å |
| 68 | A | 91.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 15.6 Ų | 15.6 | 35% | 0.347 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -73.8 | -10.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L64 L65 Y70 I333 | L64-A68 VanDerWaalsContact O-CB 3.27Å; L64-A68 WeakPolarHBondContact O-CB 3.37Å; L64-A68 PolarHBondContact O-N 2.86Å; L65-A68 CarbonylContact O-C 3.58Å; L65-A68 PolarHBondContact O-N 2.88Å; L65-A68 VanDerWaalsContact O-N 3.14Å; A68-Y70 HydrophobicContact CB-CD2 3.89Å; A68-Y70 HydrophobicContact CB-CE2 3.9Å; A68-I333 HydrophobicContact CB-CG2 4.5Å |
| 69 | G | 90.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 10.4 Ų | 10.4 | 18% | 0.175 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.4 | 16.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V36 L65 A66 D67 | V36-G69 WeakPolarHBondContact CG1-O 3.07Å; L65-G69 PolarHBondContact O-N 3.25Å; L65-G69 VanDerWaalsContact O-N 3.09Å; A66-G69 PolarHBondContact O-N 3.13Å; D67-G69 PolarHBondContact O-N 3.24Å |
| 70 | Y | 92.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 8.8 Ų | 8.8 | 11% | 0.114 | 6% | 0.055 | C | C | . | . | trans | -87.3 | 159.4 | 175.4 | -64.2 | -86.5 | 0 | 0 | 0 | 112.4 | V36 V39 L65 A68 L336 | V36-Y70 VanDerWaalsContact CG1-CA 3.47Å; V39-Y70 HydrophobicContact CG2-CD1 3.59Å; V39-Y70 HydrophobicContact CG2-CE1 4.4Å; V39-Y70 HydrophobicContact CG2-CG 3.93Å; L65-Y70 HydrophobicContact CB-CD2 4.3Å; L65-Y70 HydrophobicContact CD2-CD2 3.65Å; L65-Y70 HydrophobicContact CD2-CE2 3.96Å; L65-Y70 HydrophobicContact CD2-CG 4.24Å; L65-Y70 WeakPolarHBondContact O-CD2 3.29Å; L65-Y70 PolarHBondContact O-N 2.75Å; A68-Y70 HydrophobicContact CB-CD2 3.89Å; A68-Y70 HydrophobicContact CB-CE2 3.9Å; Y70-L336 HydrophobicContact CE1-CB 4.14Å; Y70-L336 HydrophobicContact CE1-CD1 4.39Å; Y70-L336 WeakPolarHBondContact OH-CB 3.43Å | ||
| 71 | D | 93.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 3% | 0.027 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 101.5 | 174.8 | 179.7 | 29 | 0 | 0 | 0 | 108.1 | R23 V36 E37 P38 V39 W73 T120 | R23-D71 IonicContact CZ-OD1 3.45Å; R23-D71 IonicContact CZ-OD2 3.33Å; R23-D71 IonicContact NE-OD1 2.74Å; R23-D71 PolarHBondContact NE-OD1 3.28Å; R23-D71 IonicContact NE-OD2 3.13Å; R23-D71 PolarHBondContact NE-OD2 3.3Å; R23-D71 VanDerWaalsContact NE-OD2 3.13Å; R23-D71 VanDerWaalsContact NH2-CG 3.29Å; R23-D71 IonicContact NH2-OD1 3.33Å; R23-D71 PolarHBondContact NH2-OD1 3.04Å; R23-D71 IonicContact NH2-OD2 2.73Å; R23-D71 PolarHBondContact NH2-OD2 3.33Å; V36-D71 HydrophobicContact CB-CB 4.26Å; V36-D71 HydrophobicContact CG1-CB 3.69Å; E37-D71 PolarHBondContact O-N 2.93Å; P38-D71 CarbonylContact C-O 3.56Å; P38-D71 VanDerWaalsContact CA-O 3.31Å; P38-D71 WeakPolarHBondContact CA-O 3.16Å; V39-D71 PolarHBondContact N-O 3.1Å; D71-W73 PolarHBondContact OD2-NE1 3.25Å; D71-T120 VanDerWaalsContact OD2-CG2 3.27Å; D71-T120 WeakPolarHBondContact OD2-CG2 3.44Å |
| 72 | V | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120 | -163.6 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | R23 L24 L41 L65 A66 L74 | R23-V72 CarbonylContact C-O 3.6Å; R23-V72 VanDerWaalsContact CA-O 3.31Å; R23-V72 WeakPolarHBondContact CA-O 3.46Å; L24-V72 HydrophobicContact CB-CB 4.23Å; L24-V72 PolarHBondContact N-O 2.87Å; L24-V72 PolarHBondContact O-N 2.72Å; L24-V72 VanDerWaalsContact O-N 3.13Å; L41-V72 HydrophobicContact CD1-CG1 3.7Å; L41-V72 HydrophobicContact CG-CG1 3.99Å; L65-V72 HydrophobicContact CB-CG2 3.5Å; A66-V72 HydrophobicContact CB-CG2 4.19Å; V72-L74 HydrophobicContact CG1-CD2 3.72Å |
| 73 | W | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.8 | 178.2 | -69.9 | 83.8 | 0 | 0 | 0 | 110.2 | H9 M21 R23 V39 I40 L41 D71 Y115 V116 V119 T120 | H9-W73 HydrophobicContact CB-CZ3 4.07Å; H9-W73 AromaticContact CD2-CH2 3.91Å; H9-W73 AromaticContact CD2-CZ3 3.59Å; H9-W73 AromaticContact CE1-CH2 3.79Å; H9-W73 AromaticContact CG-CZ3 3.64Å; H9-W73 AromaticContact ND1-CH2 3.93Å; H9-W73 AromaticContact NE2-CH2 3.78Å; H9-W73 AromaticContact NE2-CZ3 3.97Å; M21-W73 HydrophobicContact CB-CE3 4.46Å; M21-W73 HydrophobicContact CE-CB 4.02Å; M21-W73 HydrophobicContact CE-CE3 4.24Å; M21-W73 HydrophobicContact SD-CE3 4.46Å; R23-W73 HydrophobicContact CB-CD2 4.15Å; R23-W73 HydrophobicContact CB-CE3 4.04Å; R23-W73 HydrophobicContact CB-CH2 4.47Å; R23-W73 HydrophobicContact CB-CZ3 4.21Å; R23-W73 VanDerWaalsContact CD-CZ2 3.42Å; R23-W73 HydrophobicContact CG-CD2 3.94Å; R23-W73 HydrophobicContact CG-CE3 4.31Å; R23-W73 HydrophobicContact CG-CG 4.45Å; R23-W73 HydrophobicContact CG-CH2 4.39Å; R23-W73 HydrophobicContact CG-CZ2 4.01Å; V39-W73 PolarHBondContact O-N 2.87Å; I40-W73 CarbonylContact C-O 3.59Å; I40-W73 VanDerWaalsContact CA-O 3.29Å; I40-W73 WeakPolarHBondContact CA-O 3.41Å; I40-W73 HydrophobicContact CG1-CB 4Å; L41-W73 PolarHBondContact N-O 2.94Å; D71-W73 PolarHBondContact OD2-NE1 3.25Å; W73-Y115 HydrophobicContact CH2-CD1 4.42Å; W73-Y115 HydrophobicContact CH2-CE1 4.1Å; W73-Y115 HydrophobicContact CZ3-CD1 4.18Å; W73-Y115 AromaticContact CZ3-CE1 3.97Å; W73-Y115 HydrophobicContact CZ3-CE1 3.97Å; W73-V116 HydrophobicContact CB-CG2 4.15Å; W73-V116 HydrophobicContact CD2-CB 4.4Å; W73-V116 HydrophobicContact CD2-CG1 4.14Å; W73-V116 HydrophobicContact CD2-CG2 3.47Å; W73-V116 VanDerWaalsContact CD2-CG2 3.47Å; W73-V116 HydrophobicContact CE3-CG2 3.6Å; W73-V116 HydrophobicContact CG-CG1 4.05Å; W73-V116 HydrophobicContact CG-CG2 3.73Å; W73-V116 HydrophobicContact CH2-CG2 4.49Å; W73-V116 HydrophobicContact CZ2-CG1 4.48Å; W73-V116 HydrophobicContact CZ2-CG2 4.41Å; W73-V116 HydrophobicContact CZ3-CG2 4.12Å; W73-V119 HydrophobicContact CH2-CB 4.15Å; W73-V119 HydrophobicContact CH2-CG1 3.85Å; W73-V119 HydrophobicContact CZ2-CB 4.32Å; W73-V119 HydrophobicContact CZ2-CG1 3.97Å; W73-T120 HydrophobicContact CZ2-CG2 3.93Å |
| 74 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 109.3 | 179.7 | -44.8 | 178.9 | 0 | 0 | 0 | 109.2 | M1 M21 Q22 L24 L41 W52 V53 V72 | M1-L74 HydrophobicContact CE-CD1 4.42Å; M21-L74 WeakPolarHBondContact CA-O 3.37Å; Q22-L74 HydrophobicContact CB-CB 4.31Å; Q22-L74 HydrophobicContact CB-CD1 4.26Å; Q22-L74 PolarHBondContact N-O 3.37Å; Q22-L74 VanDerWaalsContact N-O 3.14Å; Q22-L74 PolarHBondContact O-N 3.14Å; L24-L74 HydrophobicContact CD1-CD1 4.27Å; L24-L74 HydrophobicContact CG-CD1 4.38Å; L41-L74 HydrophobicContact CB-CD2 4.04Å; L41-L74 HydrophobicContact CD1-CD2 3.73Å; L41-L74 HydrophobicContact CG-CD2 4.18Å; W52-L74 HydrophobicContact CB-CD2 4.02Å; W52-L74 HydrophobicContact CG-CD2 4.46Å; V53-L74 HydrophobicContact CG1-CD1 3.96Å; V53-L74 HydrophobicContact CG2-CD1 4.45Å; V72-L74 HydrophobicContact CG1-CD2 3.72Å |
| 75 | G | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 146.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L41 H43 | L41-G75 PolarHBondContact O-N 2.89Å; H43-G75 PolarHBondContact CD2-O 3.42Å; H43-G75 VanDerWaalsContact CD2-O 3.24Å |
| 76 | N | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -131.6 | 124.5 | 168.5 | -75.5 | -64.4 | 0 | 0 | 0 | 109.7 | T20 Q22 S49 N80 Y82 S83 | T20-N76 WeakPolarHBondContact O-CB 3.41Å; T20-N76 PolarHBondContact O-ND2 2.7Å; Q22-N76 PolarHBondContact OE1-ND2 2.92Å; S49-N76 WeakPolarHBondContact CB-ND2 3.36Å; S49-N76 PolarHBondContact N-OD1 2.91Å; S49-N76 PolarHBondContact OG-ND2 2.92Å; S49-N76 PolarHBondContact OG-OD1 3.31Å; N76-N80 PolarHBondContact OD1-ND2 2.99Å; N76-Y82 WeakPolarHBondContact OD1-CD2 3.4Å; N76-S83 VanDerWaalsContact CB-OG 3.28Å; N76-S83 WeakPolarHBondContact CB-OG 3.4Å; N76-S83 PolarHBondContact O-OG 2.93Å; N76-S83 VanDerWaalsContact O-OG 3.14Å | ||
| 77 | I | 97.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | trans | -77.7 | 157.4 | 177.4 | 50.5 | 148.5 | 0 | 0 | 0 | 112.6 | H43 G79 N80 S83 M104 I136 | H43-I77 WeakPolarHBondContact CE1-CG1 3.24Å; I77-G79 PolarHBondContact O-N 3.06Å; I77-N80 PolarHBondContact O-N 2.95Å; I77-N80 PolarHBondContact O-OD1 2.91Å; I77-S83 WeakPolarHBondContact O-CB 3.43Å; I77-M104 HydrophobicContact CB-CE 4.43Å; I77-M104 HydrophobicContact CB-CG 4.22Å; I77-M104 HydrophobicContact CB-SD 3.89Å; I77-M104 HydrophobicContact CD1-CE 3.47Å; I77-M104 VanDerWaalsContact CD1-CE 3.47Å; I77-M104 HydrophobicContact CD1-SD 3.47Å; I77-M104 WeakPolarHBondContact CD1-SD 3.31Å; I77-M104 HydrophobicContact CG1-SD 4.25Å; I77-M104 HydrophobicContact CG2-CB 4.28Å; I77-M104 HydrophobicContact CG2-CG 4.13Å; I77-M104 HydrophobicContact CG2-SD 3.87Å; I77-I136 HydrophobicContact CG2-CD1 3.99Å | ||
| 78 | R | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | 134 | 173 | 62.6 | -176.2 | 63.4 | -152.9 | -8.9 | 112.8 | D15 Y17 L19 N80 F99 M104 Y107 D108 | D15-R78 IonicContact OD1-CZ 3.8Å; D15-R78 IonicContact OD1-NH1 2.62Å; D15-R78 IonicContact OD1-NH2 2.96Å; D15-R78 PolarHBondContact OD1-NH2 2.9Å; D15-R78 IonicContact OD2-CZ 3.89Å; D15-R78 IonicContact OD2-NH1 2.74Å; D15-R78 PolarHBondContact OD2-NH1 3.1Å; D15-R78 IonicContact OD2-NH2 2.81Å; D15-R78 PolarHBondContact OD2-NH2 3.38Å; Y17-R78 HydrophobicContact CD1-CB 3.55Å; Y17-R78 VanDerWaalsContact CD2-CZ 3.49Å; Y17-R78 VanDerWaalsContact CD2-NH1 3.28Å; Y17-R78 HydrophobicContact CE1-CB 4.03Å; Y17-R78 HydrophobicContact CG-CB 3.93Å; L19-R78 HydrophobicContact CD2-CB 4.15Å; R78-N80 VanDerWaalsContact C-N 3.33Å; R78-N80 PolarHBondContact O-N 3.33Å; R78-F99 HydrophobicContact CB-CE1 4.47Å; R78-F99 HydrophobicContact CB-CZ 4.46Å; R78-F99 HydrophobicContact CG-CD1 4.08Å; R78-F99 HydrophobicContact CG-CD2 3.69Å; R78-F99 HydrophobicContact CG-CE1 4.06Å; R78-F99 HydrophobicContact CG-CE2 3.69Å; R78-F99 HydrophobicContact CG-CG 3.91Å; R78-F99 HydrophobicContact CG-CZ 3.87Å; R78-F99 WeakPolarHBondContact O-CZ 3.44Å; R78-M104 HydrophobicContact CG-CE 4.17Å; R78-M104 HydrophobicContact CG-CG 4.09Å; R78-Y107 VanDerWaalsContact NH2-CB 3.3Å; R78-D108 WeakPolarHBondContact CG-OD2 3.17Å; R78-D108 IonicContact CZ-OD1 3.22Å; R78-D108 PolarHBondContact N-OD2 3.41Å; R78-D108 IonicContact NE-OD1 3.61Å; R78-D108 PolarHBondContact NE-OD1 3.16Å; R78-D108 IonicContact NE-OD2 2.95Å; R78-D108 PolarHBondContact NE-OD2 2.96Å; R78-D108 IonicContact NH2-OD1 2.83Å; R78-D108 PolarHBondContact NH2-OD1 3.01Å |
| 79 | G | 95.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -8.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | I77 S83 K84 W97 | I77-G79 PolarHBondContact O-N 3.06Å; G79-S83 PolarHBondContact N-O 2.88Å; G79-K84 WeakPolarHBondContact O-CE 3.35Å; G79-W97 WeakPolarHBondContact O-CH2 3.35Å |
| 80 | N | 94.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -74.9 | 171.4 | 169.8 | 90.3 | -3 | 0 | 0 | 0 | 111.5 | H43 N76 I77 R78 Y82 S83 K84 A228 | H43-N80 PolarHBondContact NE2-ND2 3.46Å; N76-N80 PolarHBondContact OD1-ND2 2.99Å; I77-N80 PolarHBondContact O-N 2.95Å; I77-N80 PolarHBondContact O-OD1 2.91Å; R78-N80 VanDerWaalsContact C-N 3.33Å; R78-N80 PolarHBondContact O-N 3.33Å; N80-Y82 PolarHBondContact O-N 3.12Å; N80-Y82 PolarHBondContact OD1-N 3.21Å; N80-S83 CarbonylContact O-C 3.53Å; N80-S83 PolarHBondContact O-N 3.44Å; N80-S83 PolarHBondContact OD1-N 3.44Å; N80-S83 VanDerWaalsContact OD1-N 3.16Å; N80-K84 WeakPolarHBondContact O-CG 3.47Å; N80-A228 CarbonylContact C-O 3.59Å; N80-A228 VanDerWaalsContact CA-O 3.27Å; N80-A228 WeakPolarHBondContact CA-O 3.44Å; N80-A228 HydrophobicContact CB-CB 4.29Å |
| 81 | T | 93 | Very high | 96.5 | Very high | 72 Ų | 72 | 31.8 Ų | 31.8 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | -36.3 | -176.3 | -61.6 | 0 | 0 | 0 | 0 | 114.6 | A228 | T81-A228 PolarHBondContact N-O 3.39Å; T81-A228 WeakPolarHBondContact OG1-CA 3.27Å; T81-A228 PolarHBondContact OG1-O 2.57Å |
| 82 | Y | 95.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -16.7 | -174.4 | -59.8 | -72.2 | 0 | 0 | 0 | 113.6 | T20 V50 N76 N80 | T20-Y82 WeakPolarHBondContact CB-O 3.38Å; T20-Y82 PolarHBondContact OG1-O 3.03Å; V50-Y82 HydrophobicContact CG2-CE2 3.95Å; V50-Y82 WeakPolarHBondContact CG2-OH 3.3Å; N76-Y82 WeakPolarHBondContact OD1-CD2 3.4Å; N80-Y82 PolarHBondContact O-N 3.12Å; N80-Y82 PolarHBondContact OD1-N 3.21Å |
| 83 | S | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | trans | -124.6 | 50.1 | -173.1 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | L19 T20 N76 I77 G79 N80 Y96 | L19-S83 WeakPolarHBondContact CA-OG 3.31Å; T20-S83 PolarHBondContact N-OG 2.83Å; N76-S83 VanDerWaalsContact CB-OG 3.28Å; N76-S83 WeakPolarHBondContact CB-OG 3.4Å; N76-S83 PolarHBondContact O-OG 2.93Å; N76-S83 VanDerWaalsContact O-OG 3.14Å; I77-S83 WeakPolarHBondContact O-CB 3.43Å; G79-S83 PolarHBondContact N-O 2.88Å; N80-S83 CarbonylContact O-C 3.53Å; N80-S83 PolarHBondContact O-N 3.44Å; N80-S83 PolarHBondContact OD1-N 3.44Å; N80-S83 VanDerWaalsContact OD1-N 3.16Å; S83-Y96 PolarHBondContact O-OH 3.45Å; S83-Y96 VanDerWaalsContact O-OH 3.11Å | ||
| 84 | K | 94.1 | Very high | 95.8 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 26% | 0.261 | 26% | 0.255 | S | S | . | . | trans | -98.4 | 35.1 | -179.1 | -93 | 177.3 | -166.5 | -166.1 | 0 | 114.6 | G79 N80 Y96 E175 | G79-K84 WeakPolarHBondContact O-CE 3.35Å; N80-K84 WeakPolarHBondContact O-CG 3.47Å; K84-Y96 WeakPolarHBondContact CA-OH 3.47Å; K84-E175 WeakPolarHBondContact CE-OE1 3.37Å; K84-E175 VanDerWaalsContact NZ-CD 3.25Å; K84-E175 IonicContact NZ-OE1 3.65Å; K84-E175 PolarHBondContact NZ-OE1 3.42Å; K84-E175 IonicContact NZ-OE2 3.34Å; K84-E175 PolarHBondContact NZ-OE2 3Å | ||
| 85 | S | 97.2 | Very high | 95.5 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 46% | 0.462 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.9 | -173.1 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | I18 Y96 | I18-S85 PolarHBondContact N-O 3.16Å; S85-Y96 PolarHBondContact N-OH 3.46Å |
| 86 | H | 98.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 13% | 0.13 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 153 | 176.6 | -161.5 | -76.1 | 0 | 0 | 0 | 109.6 | D15 G16 Y17 S88 L89 Y96 | D15-H86 PolarHBondContact O-CE1 3.41Å; D15-H86 PolarHBondContact O-NE2 3.21Å; G16-H86 CarbonylContact O-C 3.51Å; G16-H86 VanDerWaalsContact O-CA 3.29Å; G16-H86 WeakPolarHBondContact O-CA 3.3Å; G16-H86 VanDerWaalsContact O-CG 3.29Å; G16-H86 PolarHBondContact O-ND1 3.44Å; Y17-H86 AromaticContact CD1-CD2 3.94Å; Y17-H86 AromaticContact CD2-CD2 3.61Å; Y17-H86 AromaticContact CD2-NE2 3.81Å; Y17-H86 AromaticContact CE2-CD2 3.65Å; Y17-H86 AromaticContact CE2-NE2 3.72Å; Y17-H86 AromaticContact CG-CD2 3.75Å; Y17-H86 AromaticContact CZ-CD2 3.86Å; H86-S88 PolarHBondContact CE1-OG 2.96Å; H86-S88 PolarHBondContact ND1-N 2.78Å; H86-S88 PolarHBondContact ND1-OG 2.82Å; H86-S88 PolarHBondContact O-N 2.88Å; H86-S88 VanDerWaalsContact O-N 3.11Å; H86-L89 HydrophobicContact CB-CB 4.04Å; H86-L89 WeakPolarHBondContact CB-O 3.41Å; H86-L89 PolarHBondContact ND1-N 2.96Å; H86-Y96 HydrophobicContact CB-CD2 3.95Å; H86-Y96 HydrophobicContact CB-CE2 3.86Å |
| 87 | V | 98.4 | Very high | 95.2 | Very high | 94 Ų | 94 | 54 Ų | 54 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -64.2 | -13.4 | 177.6 | -62 | 0 | 0 | 0 | 0 | 114.4 | V12 G16 I18 | V12-V87 HydrophobicContact CG1-CG1 4.03Å; G16-V87 PolarHBondContact O-N 2.95Å; I18-V87 HydrophobicContact CD1-CG1 4.31Å; I18-V87 HydrophobicContact CG1-CG1 4.3Å |
| 88 | S | 98.2 | Very high | 95 | Very high | 95 Ų | 95 | 56 Ų | 56 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -154.1 | -38.8 | -170.7 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | H86 | H86-S88 PolarHBondContact CE1-OG 2.96Å; H86-S88 PolarHBondContact ND1-N 2.78Å; H86-S88 PolarHBondContact ND1-OG 2.82Å; H86-S88 PolarHBondContact O-N 2.88Å; H86-S88 VanDerWaalsContact O-N 3.11Å |
| 89 | L | 97.5 | Very high | 94.9 | Very high | 59 Ų | 59 | 56.1 Ų | 56.1 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | trans | -80.4 | 142.2 | -178.7 | -57.8 | 179.5 | 0 | 0 | 0 | 111.8 | H86 E95 Y96 | H86-L89 HydrophobicContact CB-CB 4.04Å; H86-L89 WeakPolarHBondContact CB-O 3.41Å; H86-L89 PolarHBondContact ND1-N 2.96Å; L89-E95 HydrophobicContact CD1-CB 4.09Å; L89-E95 HydrophobicContact CD2-CB 4.07Å; L89-Y96 HydrophobicContact CB-CD2 4.15Å | ||
| 90 | S | 95.7 | Very high | 94.9 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | trans | -82.8 | 139.2 | 171.1 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | R92 S93 Y96 | S90-R92 PolarHBondContact O-N 3.1Å; S90-R92 PolarHBondContact OG-N 2.84Å; S90-S93 WeakPolarHBondContact O-CB 3.47Å; S90-S93 PolarHBondContact O-N 3.45Å; S90-S93 PolarHBondContact O-OG 2.83Å; S90-Y96 WeakPolarHBondContact O-CB 3.44Å | ||
| 91 | S | 93.4 | Very high | 95 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -6.6 | 170.9 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | W97 | S91-W97 PolarHBondContact O-NE1 2.85Š|
| 92 | R | 90.2 | Very high | 95.2 | Very high | 224 Ų | 224 | 53 Ų | 53 | 85% | 0.845 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -9.8 | 171.6 | -60.3 | -177.2 | -179.9 | -178.7 | 0.7 | 113.9 | S90 | S90-R92 PolarHBondContact O-N 3.1Å; S90-R92 PolarHBondContact OG-N 2.84Å |
| 93 | S | 92 | Very high | 95.3 | Very high | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -86.4 | 153.7 | -176 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | S90 E95 Y96 W97 | S90-S93 WeakPolarHBondContact O-CB 3.47Å; S90-S93 PolarHBondContact O-N 3.45Å; S90-S93 PolarHBondContact O-OG 2.83Å; S93-E95 VanDerWaalsContact C-N 3.29Å; S93-E95 WeakPolarHBondContact CB-OE2 3.42Å; S93-Y96 WeakPolarHBondContact OG-CB 3.43Å; S93-Y96 PolarHBondContact OG-N 3.35Å; S93-W97 VanDerWaalsContact O-CD1 3.3Å |
| 94 | K | 89.4 | Confident | 95.4 | Very high | 88 Ų | 88 | 51 Ų | 51 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -65 | -39 | 176.1 | 179.5 | 174.3 | 178.8 | 172.1 | 0 | 110.7 | Y96 W97 G98 E170 Y174 | K94-Y96 VanDerWaalsContact C-N 3.3Å; K94-Y96 PolarHBondContact O-N 2.75Å; K94-W97 PolarHBondContact O-N 3.48Å; K94-W97 VanDerWaalsContact O-N 3.08Å; K94-G98 PolarHBondContact O-N 3.38Å; K94-E170 IonicContact NZ-OE2 2.83Å; K94-E170 PolarHBondContact NZ-OE2 3.4Å; K94-Y174 HydrophobicContact CB-CD1 3.97Å; K94-Y174 HydrophobicContact CB-CD2 4.44Å; K94-Y174 HydrophobicContact CB-CE1 3.63Å; K94-Y174 HydrophobicContact CB-CE2 4.13Å; K94-Y174 HydrophobicContact CB-CG 4.36Å; K94-Y174 HydrophobicContact CD-CD1 4.49Å; K94-Y174 HydrophobicContact CD-CE1 3.92Å; K94-Y174 HydrophobicContact CG-CD1 3.81Å; K94-Y174 HydrophobicContact CG-CE1 3.62Å |
| 95 | E | 93.1 | Very high | 95.6 | Very high | 124 Ų | 124 | 49.7 Ų | 49.7 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -60.9 | -39.6 | -177 | -63.9 | 73.8 | -164.6 | 0 | 0 | 111.4 | L89 S93 W97 G98 | L89-E95 HydrophobicContact CD1-CB 4.09Å; L89-E95 HydrophobicContact CD2-CB 4.07Å; S93-E95 VanDerWaalsContact C-N 3.29Å; S93-E95 WeakPolarHBondContact CB-OE2 3.42Å; E95-W97 PolarHBondContact O-N 2.94Å; E95-G98 PolarHBondContact O-N 3.23Å |
| 96 | Y | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -61 | -26.3 | 176 | -179.2 | -80.4 | 0 | 0 | 0 | 113.4 | Y17 S83 K84 S85 H86 L89 S90 S93 K94 F99 | Y17-Y96 HydrophobicContact CD1-CE2 4.12Å; Y17-Y96 HydrophobicContact CE1-CD1 4.5Å; Y17-Y96 HydrophobicContact CE1-CD2 4.19Å; Y17-Y96 HydrophobicContact CE1-CE1 4.21Å; Y17-Y96 AromaticContact CE1-CE2 3.91Å; Y17-Y96 HydrophobicContact CE1-CE2 3.91Å; Y17-Y96 HydrophobicContact CE1-CG 4.43Å; Y17-Y96 AromaticContact CE1-CZ 3.85Å; Y17-Y96 WeakPolarHBondContact CE1-O 3.41Å; Y17-Y96 PolarHBondContact OH-O 2.93Å; S83-Y96 PolarHBondContact O-OH 3.45Å; S83-Y96 VanDerWaalsContact O-OH 3.11Å; K84-Y96 WeakPolarHBondContact CA-OH 3.47Å; S85-Y96 PolarHBondContact N-OH 3.46Å; H86-Y96 HydrophobicContact CB-CD2 3.95Å; H86-Y96 HydrophobicContact CB-CE2 3.86Å; L89-Y96 HydrophobicContact CB-CD2 4.15Å; S90-Y96 WeakPolarHBondContact O-CB 3.44Å; S93-Y96 WeakPolarHBondContact OG-CB 3.43Å; S93-Y96 PolarHBondContact OG-N 3.35Å; K94-Y96 VanDerWaalsContact C-N 3.3Å; K94-Y96 PolarHBondContact O-N 2.75Å; Y96-F99 WeakPolarHBondContact O-CD1 3.47Å; Y96-F99 VanDerWaalsContact O-CE1 3.3Å; Y96-F99 WeakPolarHBondContact O-CE1 3.35Å |
| 97 | W | 93.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 4% | 0.038 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -105.5 | 11 | -178 | -65.3 | 101.6 | 0 | 0 | 0 | 112.5 | G79 S91 S93 K94 E95 F99 Y174 E175 S231 | G79-W97 WeakPolarHBondContact O-CH2 3.35Å; S91-W97 PolarHBondContact O-NE1 2.85Å; S93-W97 VanDerWaalsContact O-CD1 3.3Å; K94-W97 PolarHBondContact O-N 3.48Å; K94-W97 VanDerWaalsContact O-N 3.08Å; E95-W97 PolarHBondContact O-N 2.94Å; W97-F99 AromaticContact CE3-CE1 3.76Å; W97-F99 HydrophobicContact CE3-CE1 3.76Å; W97-F99 AromaticContact CE3-CZ 3.73Å; W97-F99 HydrophobicContact CE3-CZ 3.73Å; W97-F99 HydrophobicContact CZ3-CE1 4.34Å; W97-F99 AromaticContact CZ3-CZ 3.98Å; W97-F99 HydrophobicContact CZ3-CZ 3.98Å; W97-F99 PolarHBondContact O-N 2.92Å; W97-Y174 WeakPolarHBondContact CB-O 3.5Å; W97-Y174 VanDerWaalsContact CD1-CB 3.44Å; W97-E175 HydrophobicContact CD2-CB 4.07Å; W97-E175 HydrophobicContact CE3-CB 4.33Å; W97-E175 HydrophobicContact CH2-CB 3.74Å; W97-E175 VanDerWaalsContact CH2-CD 3.43Å; W97-E175 HydrophobicContact CH2-CG 3.39Å; W97-E175 HydrophobicContact CZ2-CB 3.47Å; W97-E175 VanDerWaalsContact CZ2-CB 3.47Å; W97-E175 HydrophobicContact CZ2-CG 3.61Å; W97-E175 VanDerWaalsContact CZ2-OE2 3.3Å; W97-E175 WeakPolarHBondContact CZ2-OE2 3.49Å; W97-E175 HydrophobicContact CZ3-CB 4.16Å; W97-E175 HydrophobicContact CZ3-CG 3.91Å; W97-S231 WeakPolarHBondContact O-CB 3.24Å |
| 98 | G | 93.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | trans | -76.1 | 43.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K94 E95 | K94-G98 PolarHBondContact O-N 3.38Å; E95-G98 PolarHBondContact O-N 3.23Å | ||
| 99 | F | 95.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | trans | -133.1 | 157.7 | -175.9 | 66 | -102.9 | 0 | 0 | 0 | 112.7 | Y17 R78 Y96 W97 Q103 M104 S231 | Y17-F99 HydrophobicContact CE1-CD1 4.06Å; Y17-F99 HydrophobicContact CE1-CE1 4.13Å; Y17-F99 AromaticContact CZ-CD1 3.98Å; R78-F99 HydrophobicContact CB-CE1 4.47Å; R78-F99 HydrophobicContact CB-CZ 4.46Å; R78-F99 HydrophobicContact CG-CD1 4.08Å; R78-F99 HydrophobicContact CG-CD2 3.69Å; R78-F99 HydrophobicContact CG-CE1 4.06Å; R78-F99 HydrophobicContact CG-CE2 3.69Å; R78-F99 HydrophobicContact CG-CG 3.91Å; R78-F99 HydrophobicContact CG-CZ 3.87Å; R78-F99 WeakPolarHBondContact O-CZ 3.44Å; Y96-F99 WeakPolarHBondContact O-CD1 3.47Å; Y96-F99 VanDerWaalsContact O-CE1 3.3Å; Y96-F99 WeakPolarHBondContact O-CE1 3.35Å; W97-F99 AromaticContact CE3-CE1 3.76Å; W97-F99 HydrophobicContact CE3-CE1 3.76Å; W97-F99 AromaticContact CE3-CZ 3.73Å; W97-F99 HydrophobicContact CE3-CZ 3.73Å; W97-F99 HydrophobicContact CZ3-CE1 4.34Å; W97-F99 AromaticContact CZ3-CZ 3.98Å; W97-F99 HydrophobicContact CZ3-CZ 3.98Å; W97-F99 PolarHBondContact O-N 2.92Å; F99-Q103 VanDerWaalsContact CA-OE1 3.26Å; F99-Q103 HydrophobicContact CB-CB 4.06Å; F99-Q103 HydrophobicContact CB-CG 4.23Å; F99-M104 HydrophobicContact CD2-CE 3.65Å; F99-M104 HydrophobicContact CE2-CE 3.49Å; F99-M104 VanDerWaalsContact CE2-CE 3.49Å; F99-S231 WeakPolarHBondContact CD2-OG 3.33Å; F99-S231 WeakPolarHBondContact CE2-OG 3.27Å; F99-S231 WeakPolarHBondContact O-CB 3.34Å; F99-S231 PolarHBondContact O-OG 3.39Å | ||
| 100 | T | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -129.4 | -170.7 | 166 | 76.4 | 0 | 0 | 0 | 0 | 109 | D102 Q103 M104 L233 H237 Y250 | T100-D102 PolarHBondContact O-N 2.93Å; T100-D102 VanDerWaalsContact O-N 3.13Å; T100-D102 WeakPolarHBondContact OG1-CB 3.28Å; T100-D102 VanDerWaalsContact OG1-CG 3.23Å; T100-D102 PolarHBondContact OG1-N 2.81Å; T100-Q103 PolarHBondContact O-N 2.51Å; T100-M104 PolarHBondContact O-N 2.99Å; T100-L233 HydrophobicContact CG2-CB 4.25Å; T100-L233 HydrophobicContact CG2-CD2 3.77Å; T100-L233 HydrophobicContact CG2-CG 3.69Å; T100-H237 HydrophobicContact CG2-CB 3.99Å; T100-H237 PolarHBondContact OG1-ND1 2.9Å; T100-H237 VanDerWaalsContact OG1-ND1 3.16Å; T100-Y250 HydrophobicContact CG2-CD2 4.01Å; T100-Y250 HydrophobicContact CG2-CG 3.97Å | ||
| 101 | F | 97 | Very high | 95.8 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -17.4 | 168 | 58.5 | -105.9 | 0 | 0 | 0 | 113.6 | M104 A105 Q132 L135 I136 N234 H237 F238 L241 Y269 | F101-M104 HydrophobicContact CB-SD 4.36Å; F101-M104 PolarHBondContact O-N 3.23Å; F101-A105 PolarHBondContact O-N 2.6Å; F101-Q132 HydrophobicContact CB-CG 4.14Å; F101-L135 HydrophobicContact CD1-CD2 3.95Å; F101-L135 HydrophobicContact CD2-CD2 3.65Å; F101-L135 HydrophobicContact CD2-CG 4.18Å; F101-L135 HydrophobicContact CE1-CD2 3.87Å; F101-L135 HydrophobicContact CE2-CD2 3.57Å; F101-L135 HydrophobicContact CE2-CG 4.28Å; F101-L135 HydrophobicContact CG-CD2 3.84Å; F101-L135 HydrophobicContact CZ-CD2 3.68Å; F101-I136 HydrophobicContact CB-CG1 4.35Å; F101-N234 VanDerWaalsContact CD1-OD1 3.31Å; F101-N234 WeakPolarHBondContact CD1-OD1 3.41Å; F101-N234 PolarHBondContact N-OD1 2.72Å; F101-H237 HydrophobicContact CD1-CB 4.49Å; F101-H237 AromaticContact CD1-ND1 3.84Å; F101-H237 HydrophobicContact CE1-CB 3.87Å; F101-H237 AromaticContact CE1-CD2 4Å; F101-H237 AromaticContact CE1-CE1 3.7Å; F101-H237 AromaticContact CE1-CG 3.43Å; F101-H237 VanDerWaalsContact CE1-CG 3.43Å; F101-H237 AromaticContact CE1-ND1 3.25Å; F101-H237 WeakPolarHBondContact CE1-ND1 3.48Å; F101-H237 AromaticContact CE2-CE1 3.22Å; F101-H237 WeakPolarHBondContact CE2-CE1 3.5Å; F101-H237 AromaticContact CE2-ND1 3.51Å; F101-H237 AromaticContact CE2-NE2 3.96Å; F101-H237 HydrophobicContact CZ-CB 4.42Å; F101-H237 AromaticContact CZ-CD2 3.69Å; F101-H237 AromaticContact CZ-CE1 2.97Å; F101-H237 WeakPolarHBondContact CZ-CE1 3.46Å; F101-H237 AromaticContact CZ-CG 3.5Å; F101-H237 AromaticContact CZ-ND1 3.06Å; F101-H237 WeakPolarHBondContact CZ-ND1 3.37Å; F101-H237 AromaticContact CZ-NE2 3.39Å; F101-H237 WeakPolarHBondContact CZ-NE2 3.36Å; F101-F238 HydrophobicContact CD1-CD2 4.17Å; F101-F238 AromaticContact CD1-CE2 3.7Å; F101-F238 HydrophobicContact CD1-CE2 3.7Å; F101-F238 HydrophobicContact CD1-CZ 4.32Å; F101-F238 HydrophobicContact CE1-CD2 4.16Å; F101-F238 HydrophobicContact CE1-CE2 4.02Å; F101-L241 HydrophobicContact CE1-CD1 4.07Å; F101-L241 HydrophobicContact CZ-CD1 3.81Å; F101-L241 HydrophobicContact CZ-CD2 4.38Å; F101-L241 HydrophobicContact CZ-CG 4.37Å; F101-Y269 HydrophobicContact CE2-CE2 4.01Å |
| 102 | D | 97.5 | Very high | 96 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57 | -51.2 | 173.2 | -66.4 | -5.7 | 0 | 0 | 0 | 110.9 | T100 M104 A105 E106 H237 Y250 Y269 | T100-D102 PolarHBondContact O-N 2.93Å; T100-D102 VanDerWaalsContact O-N 3.13Å; T100-D102 WeakPolarHBondContact OG1-CB 3.28Å; T100-D102 VanDerWaalsContact OG1-CG 3.23Å; T100-D102 PolarHBondContact OG1-N 2.81Å; D102-M104 VanDerWaalsContact C-N 3.3Å; D102-M104 PolarHBondContact O-N 2.78Å; D102-A105 PolarHBondContact O-N 2.97Å; D102-E106 VanDerWaalsContact O-CB 3.28Å; D102-E106 WeakPolarHBondContact O-CB 3.31Å; D102-E106 PolarHBondContact O-N 2.81Å; D102-H237 IonicContact OD1-CE1 3.35Å; D102-H237 PolarHBondContact OD1-CE1 3.49Å; D102-H237 IonicContact OD1-ND1 2.67Å; D102-H237 IonicContact OD2-CE1 3.45Å; D102-Y250 PolarHBondContact OD2-N 3.06Å; D102-Y269 VanDerWaalsContact CG-OH 3.31Å; D102-Y269 PolarHBondContact OD1-OH 3.08Å |
| 103 | Q | 98.2 | Very high | 96.4 | Very high | 25 Ų | 25 | 30.9 Ų | 30.9 | 12% | 0.117 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.1 | -27.5 | 179.2 | -73 | 70.8 | 45.9 | 0 | 0 | 112 | F99 T100 E106 Y107 D108 | F99-Q103 VanDerWaalsContact CA-OE1 3.26Å; F99-Q103 HydrophobicContact CB-CB 4.06Å; F99-Q103 HydrophobicContact CB-CG 4.23Å; T100-Q103 PolarHBondContact O-N 2.51Å; Q103-E106 PolarHBondContact O-N 3.34Å; Q103-Y107 HydrophobicContact CB-CD2 3.96Å; Q103-Y107 HydrophobicContact CB-CE2 4.42Å; Q103-Y107 HydrophobicContact CG-CD2 4.12Å; Q103-Y107 HydrophobicContact CG-CE2 4.09Å; Q103-Y107 WeakPolarHBondContact O-CB 3.33Å; Q103-Y107 PolarHBondContact O-N 2.79Å; Q103-D108 PolarHBondContact O-N 3.24Å |
| 104 | M | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -67.1 | -42 | 174.6 | -59.1 | 170.7 | -167 | 0 | 0 | 110.9 | I77 R78 F99 T100 F101 D102 D108 L109 Q132 I136 | I77-M104 HydrophobicContact CB-CE 4.43Å; I77-M104 HydrophobicContact CB-CG 4.22Å; I77-M104 HydrophobicContact CB-SD 3.89Å; I77-M104 HydrophobicContact CD1-CE 3.47Å; I77-M104 VanDerWaalsContact CD1-CE 3.47Å; I77-M104 HydrophobicContact CD1-SD 3.47Å; I77-M104 WeakPolarHBondContact CD1-SD 3.31Å; I77-M104 HydrophobicContact CG1-SD 4.25Å; I77-M104 HydrophobicContact CG2-CB 4.28Å; I77-M104 HydrophobicContact CG2-CG 4.13Å; I77-M104 HydrophobicContact CG2-SD 3.87Å; R78-M104 HydrophobicContact CG-CE 4.17Å; R78-M104 HydrophobicContact CG-CG 4.09Å; F99-M104 HydrophobicContact CD2-CE 3.65Å; F99-M104 HydrophobicContact CE2-CE 3.49Å; F99-M104 VanDerWaalsContact CE2-CE 3.49Å; T100-M104 PolarHBondContact O-N 2.99Å; F101-M104 HydrophobicContact CB-SD 4.36Å; F101-M104 PolarHBondContact O-N 3.23Å; D102-M104 VanDerWaalsContact C-N 3.3Å; D102-M104 PolarHBondContact O-N 2.78Å; M104-D108 HydrophobicContact CB-CB 4.34Å; M104-D108 WeakPolarHBondContact O-CA 3.37Å; M104-D108 WeakPolarHBondContact O-CB 3.36Å; M104-D108 PolarHBondContact O-N 2.84Å; M104-D108 VanDerWaalsContact O-N 3.1Å; M104-L109 PolarHBondContact O-N 3.1Å; M104-Q132 PolarHBondContact SD-NE2 3.38Å; M104-I136 HydrophobicContact CB-CD1 3.72Å; M104-I136 HydrophobicContact CB-CG1 3.95Å; M104-I136 HydrophobicContact CB-CG2 4.42Å; M104-I136 HydrophobicContact CG-CD1 4.44Å; M104-I136 HydrophobicContact SD-CD1 3.89Å |
| 105 | A | 97.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -68.9 | -38.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F101 D102 P110 I136 | F101-A105 PolarHBondContact O-N 2.6Å; D102-A105 PolarHBondContact O-N 2.97Å; A105-P110 WeakPolarHBondContact O-CD 3.29Å; A105-I136 HydrophobicContact CB-CG2 4.44Å |
| 106 | E | 97.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 28.5 Ų | 28.5 | 44% | 0.435 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -77.3 | -33 | -176.6 | -170.8 | 172.6 | 175.1 | 0 | 0 | 113.7 | D102 Q103 | D102-E106 VanDerWaalsContact O-CB 3.28Å; D102-E106 WeakPolarHBondContact O-CB 3.31Å; D102-E106 PolarHBondContact O-N 2.81Å; Q103-E106 PolarHBondContact O-N 3.34Å |
| 107 | Y | 98.7 | Very high | 97.3 | Very high | 62 Ų | 62 | 30.3 Ų | 30.3 | 24% | 0.243 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -128.6 | -43.9 | -170.2 | -57.9 | -62.1 | 0 | 0 | 0 | 114.3 | K14 D15 R78 Q103 A111 | K14-Y107 HydrophobicContact CB-CD1 4.01Å; K14-Y107 HydrophobicContact CB-CE1 4.39Å; D15-Y107 HydrophobicContact CB-CD2 4.36Å; D15-Y107 HydrophobicContact CB-CE2 4.43Å; D15-Y107 HydrophobicContact CB-CG 4.46Å; R78-Y107 VanDerWaalsContact NH2-CB 3.3Å; Q103-Y107 HydrophobicContact CB-CD2 3.96Å; Q103-Y107 HydrophobicContact CB-CE2 4.42Å; Q103-Y107 HydrophobicContact CG-CD2 4.12Å; Q103-Y107 HydrophobicContact CG-CE2 4.09Å; Q103-Y107 WeakPolarHBondContact O-CB 3.33Å; Q103-Y107 PolarHBondContact O-N 2.79Å; Y107-A111 VanDerWaalsContact O-CB 3.24Å; Y107-A111 WeakPolarHBondContact O-CB 3.21Å; Y107-A111 PolarHBondContact O-N 3.33Å |
| 108 | D | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -68.8 | -54.5 | -175.8 | -67.4 | 6.9 | 0 | 0 | 0 | 110.9 | T13 L19 R78 Q103 M104 A111 M112 | T13-D108 WeakPolarHBondContact CG2-OD1 3.3Å; L19-D108 HydrophobicContact CD1-CB 3.67Å; R78-D108 WeakPolarHBondContact CG-OD2 3.17Å; R78-D108 IonicContact CZ-OD1 3.22Å; R78-D108 PolarHBondContact N-OD2 3.41Å; R78-D108 IonicContact NE-OD1 3.61Å; R78-D108 PolarHBondContact NE-OD1 3.16Å; R78-D108 IonicContact NE-OD2 2.95Å; R78-D108 PolarHBondContact NE-OD2 2.96Å; R78-D108 IonicContact NH2-OD1 2.83Å; R78-D108 PolarHBondContact NH2-OD1 3.01Å; Q103-D108 PolarHBondContact O-N 3.24Å; M104-D108 HydrophobicContact CB-CB 4.34Å; M104-D108 WeakPolarHBondContact O-CA 3.37Å; M104-D108 WeakPolarHBondContact O-CB 3.36Å; M104-D108 PolarHBondContact O-N 2.84Å; M104-D108 VanDerWaalsContact O-N 3.1Å; D108-A111 PolarHBondContact O-N 2.96Å; D108-M112 HydrophobicContact CB-CE 4.23Å; D108-M112 WeakPolarHBondContact O-CG 3.19Å; D108-M112 PolarHBondContact O-N 3.01Å |
| 109 | L | 98.2 | Very high | 97.5 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | -177.4 | 176.5 | 65.5 | 0 | 0 | 0 | 112.3 | M104 A111 M112 V113 Y127 I136 | M104-L109 PolarHBondContact O-N 3.1Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-A111 PolarHBondContact O-N 2.84Å; L109-M112 PolarHBondContact O-N 3.37Å; L109-V113 HydrophobicContact CD1-CG2 3.79Å; L109-V113 HydrophobicContact CG-CG2 4.23Å; L109-V113 WeakPolarHBondContact O-CG2 3.33Å; L109-V113 PolarHBondContact O-N 3.07Å; L109-Y127 HydrophobicContact CD1-CD2 3.79Å; L109-Y127 HydrophobicContact CD1-CE2 3.42Å; L109-Y127 VanDerWaalsContact CD1-CE2 3.42Å; L109-I136 HydrophobicContact CB-CG2 3.74Å; L109-I136 HydrophobicContact CD2-CG2 4.13Å; L109-I136 VanDerWaalsContact CD2-O 3.31Å; L109-I136 WeakPolarHBondContact CD2-O 3.49Å; L109-I136 HydrophobicContact CG-CG2 4.46Å |
| 110 | P | 98.2 | Very high | 97.4 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 36% | 0.357 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 177.2 | -27.7 | 37.6 | 0 | 0 | 0 | 113 | A105 V113 E114 | A105-P110 WeakPolarHBondContact O-CD 3.29Å; P110-V113 PolarHBondContact O-N 2.9Å; P110-E114 VanDerWaalsContact O-CB 3.26Å; P110-E114 WeakPolarHBondContact O-CB 3.33Å; P110-E114 PolarHBondContact O-N 3.45Å |
| 111 | A | 98.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V11 T13 Y107 D108 L109 Y115 | V11-A111 HydrophobicContact CG1-CB 3.76Å; V11-A111 WeakPolarHBondContact CG1-O 3.38Å; T13-A111 HydrophobicContact CG2-CB 4.05Å; Y107-A111 VanDerWaalsContact O-CB 3.24Å; Y107-A111 WeakPolarHBondContact O-CB 3.21Å; Y107-A111 PolarHBondContact O-N 3.33Å; D108-A111 PolarHBondContact O-N 2.96Å; L109-A111 VanDerWaalsContact C-N 3.3Å; L109-A111 PolarHBondContact O-N 2.84Å; A111-Y115 WeakPolarHBondContact O-CB 3.43Å; A111-Y115 PolarHBondContact O-N 3.26Å |
| 112 | M | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -47.3 | 175.3 | -70.2 | -172.3 | -68.9 | 0 | 0 | 111.5 | L19 M21 D108 L109 Y115 V116 | L19-M112 HydrophobicContact CD1-CG 3.97Å; L19-M112 HydrophobicContact CD1-SD 4.29Å; M21-M112 HydrophobicContact CE-CB 3.98Å; M21-M112 HydrophobicContact CE-CG 4.09Å; M21-M112 HydrophobicContact CE-SD 4.03Å; M21-M112 HydrophobicContact CG-CG 4.21Å; M21-M112 HydrophobicContact CG-SD 4.21Å; M21-M112 HydrophobicContact SD-CB 3.71Å; M21-M112 HydrophobicContact SD-CG 3.53Å; M21-M112 VanDerWaalsContact SD-CG 3.53Å; M21-M112 HydrophobicContact SD-SD 4.03Å; D108-M112 HydrophobicContact CB-CE 4.23Å; D108-M112 WeakPolarHBondContact O-CG 3.19Å; D108-M112 PolarHBondContact O-N 3.01Å; L109-M112 PolarHBondContact O-N 3.37Å; M112-Y115 PolarHBondContact O-N 2.63Å; M112-V116 VanDerWaalsContact O-CG2 3.27Å; M112-V116 WeakPolarHBondContact O-CG2 3.5Å; M112-V116 PolarHBondContact O-N 2.77Å |
| 113 | V | 98.1 | Very high | 96.8 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 178.9 | 169.2 | 0 | 0 | 0 | 0 | 111 | I40 L109 P110 Y115 V116 L117 L125 | I40-V113 HydrophobicContact CD1-CG2 4.01Å; L109-V113 HydrophobicContact CD1-CG2 3.79Å; L109-V113 HydrophobicContact CG-CG2 4.23Å; L109-V113 WeakPolarHBondContact O-CG2 3.33Å; L109-V113 PolarHBondContact O-N 3.07Å; P110-V113 PolarHBondContact O-N 2.9Å; V113-Y115 VanDerWaalsContact C-N 3.3Å; V113-Y115 PolarHBondContact O-N 3.19Å; V113-V116 PolarHBondContact O-N 2.96Å; V113-L117 HydrophobicContact CG1-CD1 3.79Å; V113-L117 HydrophobicContact CG1-CG 4.25Å; V113-L117 VanDerWaalsContact O-CG 3.3Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 3.38Å; V113-L125 HydrophobicContact CB-CD2 4.35Å; V113-L125 HydrophobicContact CG1-CD2 4.03Å; V113-L125 HydrophobicContact CG2-CD1 4.45Å; V113-L125 HydrophobicContact CG2-CD2 4.3Å |
| 114 | E | 98.3 | Very high | 96.6 | Very high | 123 Ų | 123 | 52.3 Ų | 52.3 | 58% | 0.575 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58 | -44.3 | 179.8 | -177.6 | 173.2 | -166.8 | 0 | 0 | 111.5 | P110 Q118 | P110-E114 VanDerWaalsContact O-CB 3.26Å; P110-E114 WeakPolarHBondContact O-CB 3.33Å; P110-E114 PolarHBondContact O-N 3.45Å; E114-Q118 VanDerWaalsContact O-CB 3.3Å; E114-Q118 WeakPolarHBondContact O-CB 3.4Å; E114-Q118 PolarHBondContact O-N 2.96Å |
| 115 | Y | 98.5 | Very high | 96.4 | Very high | 64 Ų | 64 | 53 Ų | 53 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 177.7 | -174.4 | -88.3 | 0 | 0 | 0 | 112.3 | H9 V11 W73 A111 M112 V113 Q118 V119 | H9-Y115 HydrophobicContact CB-CE1 3.59Å; H9-Y115 AromaticContact CG-CE1 3.78Å; H9-Y115 AromaticContact ND1-CE1 3.47Å; H9-Y115 WeakPolarHBondContact ND1-CE1 3.47Å; H9-Y115 AromaticContact ND1-CZ 3.66Å; H9-Y115 PolarHBondContact ND1-OH 3.27Å; V11-Y115 HydrophobicContact CG1-CG 4.45Å; V11-Y115 HydrophobicContact CG2-CD1 3.7Å; V11-Y115 HydrophobicContact CG2-CD2 3.99Å; V11-Y115 HydrophobicContact CG2-CE1 4.21Å; V11-Y115 HydrophobicContact CG2-CE2 4.45Å; V11-Y115 HydrophobicContact CG2-CG 3.58Å; W73-Y115 HydrophobicContact CH2-CD1 4.42Å; W73-Y115 HydrophobicContact CH2-CE1 4.1Å; W73-Y115 HydrophobicContact CZ3-CD1 4.18Å; W73-Y115 AromaticContact CZ3-CE1 3.97Å; W73-Y115 HydrophobicContact CZ3-CE1 3.97Å; A111-Y115 WeakPolarHBondContact O-CB 3.43Å; A111-Y115 PolarHBondContact O-N 3.26Å; M112-Y115 PolarHBondContact O-N 2.63Å; V113-Y115 VanDerWaalsContact C-N 3.3Å; V113-Y115 PolarHBondContact O-N 3.19Å; Y115-Q118 PolarHBondContact O-N 2.82Å; Y115-V119 HydrophobicContact CD1-CG2 4.01Å; Y115-V119 HydrophobicContact CE1-CG2 3.59Å; Y115-V119 HydrophobicContact CE2-CG2 4.34Å; Y115-V119 WeakPolarHBondContact O-CB 3.41Å; Y115-V119 WeakPolarHBondContact O-CG2 3.35Å; Y115-V119 PolarHBondContact O-N 2.91Å |
| 116 | V | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 179.6 | 170.9 | 0 | 0 | 0 | 0 | 111 | M21 P38 I40 W73 M112 V113 Q118 V119 T120 L125 | M21-V116 HydrophobicContact CE-CG2 4.02Å; M21-V116 HydrophobicContact SD-CG2 4.34Å; P38-V116 HydrophobicContact CB-CG1 3.66Å; P38-V116 HydrophobicContact CG-CG1 4.15Å; I40-V116 HydrophobicContact CD1-CB 4.34Å; I40-V116 HydrophobicContact CD1-CG2 3.98Å; I40-V116 HydrophobicContact CG1-CG2 4.22Å; W73-V116 HydrophobicContact CB-CG2 4.15Å; W73-V116 HydrophobicContact CD2-CB 4.4Å; W73-V116 HydrophobicContact CD2-CG1 4.14Å; W73-V116 HydrophobicContact CD2-CG2 3.47Å; W73-V116 VanDerWaalsContact CD2-CG2 3.47Å; W73-V116 HydrophobicContact CE3-CG2 3.6Å; W73-V116 HydrophobicContact CG-CG1 4.05Å; W73-V116 HydrophobicContact CG-CG2 3.73Å; W73-V116 HydrophobicContact CH2-CG2 4.49Å; W73-V116 HydrophobicContact CZ2-CG1 4.48Å; W73-V116 HydrophobicContact CZ2-CG2 4.41Å; W73-V116 HydrophobicContact CZ3-CG2 4.12Å; M112-V116 VanDerWaalsContact O-CG2 3.27Å; M112-V116 WeakPolarHBondContact O-CG2 3.5Å; M112-V116 PolarHBondContact O-N 2.77Å; V113-V116 PolarHBondContact O-N 2.96Å; V116-Q118 VanDerWaalsContact C-N 3.28Å; V116-Q118 PolarHBondContact O-N 2.84Å; V116-V119 PolarHBondContact O-N 3.22Å; V116-T120 HydrophobicContact CG1-CG2 4.24Å; V116-T120 WeakPolarHBondContact O-CB 3.26Å; V116-T120 WeakPolarHBondContact O-CG2 3.34Å; V116-T120 PolarHBondContact O-N 2.95Å; V116-T120 PolarHBondContact O-OG1 2.85Å; V116-L125 HydrophobicContact CB-CD2 3.97Å; V116-L125 HydrophobicContact CG1-CD2 3.78Å |
| 117 | L | 96.7 | Very high | 96.4 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 177.8 | -65.1 | 178.1 | 0 | 0 | 0 | 111.4 | V113 N121 H122 S124 L125 | V113-L117 HydrophobicContact CG1-CD1 3.79Å; V113-L117 HydrophobicContact CG1-CG 4.25Å; V113-L117 VanDerWaalsContact O-CG 3.3Å; V113-L117 WeakPolarHBondContact O-CG 3.43Å; V113-L117 PolarHBondContact O-N 3.38Å; L117-N121 VanDerWaalsContact O-CA 3.29Å; L117-N121 WeakPolarHBondContact O-CA 3.5Å; L117-N121 PolarHBondContact O-N 3.07Å; L117-H122 HydrophobicContact CD2-CB 4.3Å; L117-H122 WeakPolarHBondContact CD2-O 3.46Å; L117-H122 PolarHBondContact O-N 3.07Å; L117-S124 VanDerWaalsContact CD2-C 3.44Å; L117-S124 WeakPolarHBondContact CD2-O 3.23Å; L117-L125 HydrophobicContact CD2-CB 4.12Å; L117-L125 HydrophobicContact CD2-CD2 3.96Å; L117-L125 HydrophobicContact CD2-CG 4.2Å; L117-L125 HydrophobicContact CG-CD2 4.1Å |
| 118 | Q | 96.5 | Very high | 96.3 | Very high | 149 Ų | 149 | 44.9 Ų | 44.9 | 70% | 0.696 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.3 | -44.8 | 177.5 | -175.1 | -178.7 | -0.8 | 0 | 0 | 112.7 | E114 Y115 V116 | E114-Q118 VanDerWaalsContact O-CB 3.3Å; E114-Q118 WeakPolarHBondContact O-CB 3.4Å; E114-Q118 PolarHBondContact O-N 2.96Å; Y115-Q118 PolarHBondContact O-N 2.82Å; V116-Q118 VanDerWaalsContact C-N 3.28Å; V116-Q118 PolarHBondContact O-N 2.84Å |
| 119 | V | 94.5 | Very high | 96.3 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.8 | -36.1 | -178.1 | 170 | 0 | 0 | 0 | 0 | 111.8 | W73 Y115 V116 | W73-V119 HydrophobicContact CH2-CB 4.15Å; W73-V119 HydrophobicContact CH2-CG1 3.85Å; W73-V119 HydrophobicContact CZ2-CB 4.32Å; W73-V119 HydrophobicContact CZ2-CG1 3.97Å; Y115-V119 HydrophobicContact CD1-CG2 4.01Å; Y115-V119 HydrophobicContact CE1-CG2 3.59Å; Y115-V119 HydrophobicContact CE2-CG2 4.34Å; Y115-V119 WeakPolarHBondContact O-CB 3.41Å; Y115-V119 WeakPolarHBondContact O-CG2 3.35Å; Y115-V119 PolarHBondContact O-N 2.91Å; V116-V119 PolarHBondContact O-N 3.22Å |
| 120 | T | 92.5 | Very high | 96.3 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -88.5 | -18.3 | -177.7 | 59.8 | 0 | 0 | 0 | 0 | 113 | P38 D71 W73 V116 H122 | P38-T120 HydrophobicContact CB-CG2 4.23Å; P38-T120 HydrophobicContact CG-CG2 4.42Å; D71-T120 VanDerWaalsContact OD2-CG2 3.27Å; D71-T120 WeakPolarHBondContact OD2-CG2 3.44Å; W73-T120 HydrophobicContact CZ2-CG2 3.93Å; V116-T120 HydrophobicContact CG1-CG2 4.24Å; V116-T120 WeakPolarHBondContact O-CB 3.26Å; V116-T120 WeakPolarHBondContact O-CG2 3.34Å; V116-T120 PolarHBondContact O-N 2.95Å; V116-T120 PolarHBondContact O-OG1 2.85Å; T120-H122 VanDerWaalsContact C-N 3.28Å; T120-H122 PolarHBondContact O-CD2 2.97Å |
| 121 | N | 92.8 | Very high | 96.2 | Very high | 150 Ų | 150 | 41.2 Ų | 41.2 | 80% | 0.802 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 36.9 | -172.9 | -166.6 | 64.6 | 0 | 0 | 0 | 112.8 | L117 | L117-N121 VanDerWaalsContact O-CA 3.29Å; L117-N121 WeakPolarHBondContact O-CA 3.5Å; L117-N121 PolarHBondContact O-N 3.07Å |
| 122 | H | 92.5 | Very high | 96.1 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 15% | 0.153 | 22% | 0.218 | C | C | . | . | trans | -98.5 | 154.5 | 170.9 | -81.4 | -114.7 | 0 | 0 | 0 | 111.3 | V36 E37 P38 L117 T120 S124 | V36-H122 PolarHBondContact O-CE1 3.27Å; V36-H122 PolarHBondContact O-NE2 2.99Å; E37-H122 IonicContact OE2-CE1 3.33Å; E37-H122 PolarHBondContact OE2-CE1 3Å; E37-H122 IonicContact OE2-ND1 2.86Å; E37-H122 PolarHBondContact OE2-ND1 3.23Å; P38-H122 WeakPolarHBondContact CD-ND1 3.39Å; P38-H122 HydrophobicContact CG-CB 4.11Å; L117-H122 HydrophobicContact CD2-CB 4.3Å; L117-H122 WeakPolarHBondContact CD2-O 3.46Å; L117-H122 PolarHBondContact O-N 3.07Å; T120-H122 VanDerWaalsContact C-N 3.28Å; T120-H122 PolarHBondContact O-CD2 2.97Å; H122-S124 WeakPolarHBondContact CB-O 3.31Å | ||
| 123 | S | 93.3 | Very high | 96 | Very high | 95 Ų | 95 | 40.7 Ų | 40.7 | 66% | 0.664 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -85.9 | -24.8 | 172.6 | 45.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 124 | S | 93.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 39 Ų | 39 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | trans | -134.4 | 167.4 | -177.8 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | E37 L117 H122 | E37-S124 VanDerWaalsContact OE1-C 3.26Å; E37-S124 PolarHBondContact OE1-OG 2.91Å; L117-S124 VanDerWaalsContact CD2-C 3.44Å; L117-S124 WeakPolarHBondContact CD2-O 3.23Å; H122-S124 WeakPolarHBondContact CB-O 3.31Å | ||
| 125 | L | 95 | Very high | 95.6 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | trans | -152.5 | 158.5 | 169.4 | 65.6 | 79.7 | 0 | 0 | 0 | 109 | P38 I40 V113 V116 L117 | P38-L125 HydrophobicContact CB-CB 4.21Å; P38-L125 HydrophobicContact CG-CB 3.73Å; P38-L125 WeakPolarHBondContact O-CA 3.33Å; P38-L125 WeakPolarHBondContact O-CB 3.41Å; I40-L125 HydrophobicContact CB-CD1 4.36Å; I40-L125 HydrophobicContact CD1-CD1 3.89Å; I40-L125 HydrophobicContact CD1-CD2 3.6Å; I40-L125 HydrophobicContact CD1-CG 4.46Å; I40-L125 HydrophobicContact CG1-CD1 4.05Å; I40-L125 HydrophobicContact CG1-CD2 4.11Å; V113-L125 HydrophobicContact CB-CD2 4.35Å; V113-L125 HydrophobicContact CG1-CD2 4.03Å; V113-L125 HydrophobicContact CG2-CD1 4.45Å; V113-L125 HydrophobicContact CG2-CD2 4.3Å; V116-L125 HydrophobicContact CB-CD2 3.97Å; V116-L125 HydrophobicContact CG1-CD2 3.78Å; L117-L125 HydrophobicContact CD2-CB 4.12Å; L117-L125 HydrophobicContact CD2-CD2 3.96Å; L117-L125 HydrophobicContact CD2-CG 4.2Å; L117-L125 HydrophobicContact CG-CD2 4.1Å | ||
| 126 | D | 95.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 145.4 | 169.5 | -78.7 | -65.7 | 0 | 0 | 0 | 111.4 | P38 V39 I40 L336 | P38-D126 PolarHBondContact O-N 3.26Å; V39-D126 CarbonylContact C-O 3.57Å; V39-D126 WeakPolarHBondContact CA-O 3.39Å; V39-D126 HydrophobicContact CG1-CB 4.18Å; V39-D126 HydrophobicContact CG2-CB 4.18Å; I40-D126 PolarHBondContact N-O 3.11Å; D126-L336 HydrophobicContact CB-CD2 3.73Å; D126-L336 WeakPolarHBondContact OD2-CD2 3.5Å |
| 127 | Y | 97.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.2 | 177.4 | 179.6 | -88 | 0 | 0 | 0 | 111.6 | I40 Q42 L109 G133 G137 F139 H140 | I40-Y127 HydrophobicContact CB-CD2 4.08Å; I40-Y127 HydrophobicContact CG2-CD2 3.84Å; I40-Y127 HydrophobicContact CG2-CE2 4.02Å; Q42-Y127 HydrophobicContact CB-CE1 4.5Å; Q42-Y127 HydrophobicContact CB-CE2 3.61Å; Q42-Y127 WeakPolarHBondContact CB-OH 3.29Å; Q42-Y127 HydrophobicContact CG-CE2 4.27Å; Q42-Y127 WeakPolarHBondContact CG-OH 3.28Å; L109-Y127 HydrophobicContact CD1-CD2 3.79Å; L109-Y127 HydrophobicContact CD1-CE2 3.42Å; L109-Y127 VanDerWaalsContact CD1-CE2 3.42Å; Y127-G133 WeakPolarHBondContact CE1-O 3.23Å; Y127-G133 PolarHBondContact OH-O 3.28Å; Y127-G137 VanDerWaalsContact CE1-C 3.44Å; Y127-G137 WeakPolarHBondContact CE1-O 3.27Å; Y127-F139 WeakPolarHBondContact O-CB 3.32Å; Y127-H140 PolarHBondContact O-N 3.02Å |
| 128 | V | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 112.9 | 175.6 | -171.9 | 0 | 0 | 0 | 0 | 108.5 | V39 I40 L41 Q42 W52 L61 H140 F142 L332 | V39-V128 HydrophobicContact CG1-CG2 3.91Å; I40-V128 PolarHBondContact O-N 3.29Å; L41-V128 HydrophobicContact CD2-CB 3.58Å; L41-V128 HydrophobicContact CD2-CG1 4.27Å; L41-V128 HydrophobicContact CD2-CG2 3.74Å; Q42-V128 PolarHBondContact N-O 2.98Å; W52-V128 HydrophobicContact CH2-CG1 4.21Å; L61-V128 HydrophobicContact CD2-CG1 4.17Å; V128-H140 CarbonylContact C-O 3.08Å; V128-H140 WeakPolarHBondContact CA-O 3.36Å; V128-H140 HydrophobicContact CB-CB 4.39Å; V128-H140 HydrophobicContact CG1-CB 4.21Å; V128-H140 HydrophobicContact CG2-CB 4.13Å; V128-F142 HydrophobicContact CG1-CD2 3.56Å; V128-F142 HydrophobicContact CG1-CE2 3.43Å; V128-F142 VanDerWaalsContact CG1-CE2 3.43Å; V128-F142 HydrophobicContact CG1-CZ 4.49Å; V128-L332 HydrophobicContact CG1-CD2 4.01Å; V128-L332 HydrophobicContact CG2-CD1 4.19Å; V128-L332 HydrophobicContact CG2-CD2 3.92Å |
| 129 | G | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H140 F142 | G129-H140 PolarHBondContact N-O 2.94Å; G129-F142 PolarHBondContact O-N 3.29Å |
| 130 | H | 97.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.4 | 168.7 | 169.5 | -107.9 | 0 | 0 | 0 | 110.6 | Q42 H43 G44 Q47 W52 Q132 G133 F142 H315 M319 | Q42-H130 PolarHBondContact O-N 3Å; H43-H130 CarbonylContact C-O 3.17Å; G44-H130 WeakPolarHBondContact CA-O 3.37Å; G44-H130 PolarHBondContact N-O 3.15Å; Q47-H130 PolarHBondContact OE1-CE1 2.98Å; Q47-H130 PolarHBondContact OE1-ND1 3Å; W52-H130 HydrophobicContact CH2-CB 3.78Å; W52-H130 HydrophobicContact CZ2-CB 3.89Å; H130-Q132 PolarHBondContact O-N 2.89Å; H130-G133 WeakPolarHBondContact O-CA 3.37Å; H130-G133 PolarHBondContact O-N 2.94Å; H130-F142 CarbonylContact C-O 3.53Å; H130-F142 WeakPolarHBondContact CA-O 3.46Å; H130-F142 HydrophobicContact CB-CB 4.36Å; H130-H315 AromaticContact CE1-NE2 3.94Å; H130-H315 AromaticContact NE2-CD2 3.96Å; H130-H315 AromaticContact NE2-NE2 3.89Å; H130-H315 PolarHBondContact NE2-O 3.05Å; H130-M319 HydrophobicContact CB-CG 4.3Å; H130-M319 HydrophobicContact CB-SD 3.59Å; H130-M319 VanDerWaalsContact CB-SD 3.59Å |
| 131 | S | 96.4 | Very high | 94 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -122.3 | 171.7 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | G133 S134 F142 A143 V145 H315 | S131-G133 PolarHBondContact O-N 2.82Å; S131-G133 VanDerWaalsContact O-N 3.11Å; S131-S134 WeakPolarHBondContact O-CB 3.37Å; S131-S134 PolarHBondContact O-N 3.13Å; S131-S134 PolarHBondContact O-OG 3.46Å; S131-F142 PolarHBondContact N-O 3.12Å; S131-A143 WeakPolarHBondContact CA-O 3.2Å; S131-V145 VanDerWaalsContact C-CG2 3.46Å; S131-H315 WeakPolarHBondContact CB-NE2 3.11Å; S131-H315 PolarHBondContact OG-CE1 2.93Å; S131-H315 PolarHBondContact OG-NE2 2.89Å |
| 132 | Q | 95.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -51.6 | -31.8 | 173.4 | -172.3 | -177.6 | -32.5 | 0 | 0 | 113.4 | L45 F101 M104 H130 S134 L135 I136 N234 F238 | L45-Q132 VanDerWaalsContact CA-OE1 3.25Å; L45-Q132 HydrophobicContact CB-CB 4.16Å; L45-Q132 VanDerWaalsContact CB-OE1 3.32Å; F101-Q132 HydrophobicContact CB-CG 4.14Å; M104-Q132 PolarHBondContact SD-NE2 3.38Å; H130-Q132 PolarHBondContact O-N 2.89Å; Q132-S134 VanDerWaalsContact C-N 3.25Å; Q132-S134 PolarHBondContact O-N 2.96Å; Q132-L135 WeakPolarHBondContact O-CB 3.29Å; Q132-L135 PolarHBondContact O-N 2.62Å; Q132-I136 HydrophobicContact CG-CD1 4.11Å; Q132-I136 HydrophobicContact CG-CG1 4.48Å; Q132-I136 WeakPolarHBondContact O-CG1 3.4Å; Q132-I136 PolarHBondContact O-N 2.88Å; Q132-I136 VanDerWaalsContact O-N 3.1Å; Q132-N234 PolarHBondContact NE2-ND2 2.66Å; Q132-N234 PolarHBondContact OE1-ND2 2.94Å; Q132-N234 VanDerWaalsContact OE1-ND2 3.13Å; Q132-F238 HydrophobicContact CB-CE2 4.49Å; Q132-F238 HydrophobicContact CB-CZ 3.95Å; Q132-F238 HydrophobicContact CG-CE2 4.08Å; Q132-F238 HydrophobicContact CG-CZ 3.91Å |
| 133 | G | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.7 | -37.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H43 Y127 H130 S131 L135 I136 G137 | H43-G133 PolarHBondContact O-N 3.29Å; Y127-G133 WeakPolarHBondContact CE1-O 3.23Å; Y127-G133 PolarHBondContact OH-O 3.28Å; H130-G133 WeakPolarHBondContact O-CA 3.37Å; H130-G133 PolarHBondContact O-N 2.94Å; S131-G133 PolarHBondContact O-N 2.82Å; S131-G133 VanDerWaalsContact O-N 3.11Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 2.95Å; G133-I136 PolarHBondContact O-N 3Å; G133-G137 PolarHBondContact O-N 3.19Å |
| 134 | S | 95.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 10.9 Ų | 10.9 | 4% | 0.042 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.3 | -23.6 | 174.6 | 76 | 0 | 0 | 0 | 0 | 114.2 | S131 Q132 G137 S138 P144 | S131-S134 WeakPolarHBondContact O-CB 3.37Å; S131-S134 PolarHBondContact O-N 3.13Å; S131-S134 PolarHBondContact O-OG 3.46Å; Q132-S134 VanDerWaalsContact C-N 3.25Å; Q132-S134 PolarHBondContact O-N 2.96Å; S134-G137 CarbonylContact C-O 3.41Å; S134-G137 VanDerWaalsContact CA-O 3.24Å; S134-G137 WeakPolarHBondContact CA-O 3.49Å; S134-G137 CarbonylContact O-C 3.58Å; S134-S138 PolarHBondContact O-OG 3.36Å; S134-S138 VanDerWaalsContact O-OG 3.1Å; S134-P144 VanDerWaalsContact OG-CA 3.23Å; S134-P144 WeakPolarHBondContact OG-CA 3.43Å |
| 135 | L | 93 | Very high | 94.4 | Very high | 23 Ų | 23 | 9 Ų | 9 | 12% | 0.12 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -80.2 | -32.4 | 178.4 | -172.6 | 63.1 | 0 | 0 | 0 | 110.8 | F101 Q132 G133 M247 | F101-L135 HydrophobicContact CD1-CD2 3.95Å; F101-L135 HydrophobicContact CD2-CD2 3.65Å; F101-L135 HydrophobicContact CD2-CG 4.18Å; F101-L135 HydrophobicContact CE1-CD2 3.87Å; F101-L135 HydrophobicContact CE2-CD2 3.57Å; F101-L135 HydrophobicContact CE2-CG 4.28Å; F101-L135 HydrophobicContact CG-CD2 3.84Å; F101-L135 HydrophobicContact CZ-CD2 3.68Å; Q132-L135 WeakPolarHBondContact O-CB 3.29Å; Q132-L135 PolarHBondContact O-N 2.62Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 2.95Å; L135-M247 HydrophobicContact CD1-CE 3.67Å |
| 136 | I | 93 | Very high | 94.3 | Very high | 11 Ų | 11 | 8.7 Ų | 8.7 | 6% | 0.056 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -72.9 | -37.3 | 177.8 | -67.5 | 165.8 | 0 | 0 | 0 | 111.2 | I77 F101 M104 A105 L109 Q132 G133 | I77-I136 HydrophobicContact CG2-CD1 3.99Å; F101-I136 HydrophobicContact CB-CG1 4.35Å; M104-I136 HydrophobicContact CB-CD1 3.72Å; M104-I136 HydrophobicContact CB-CG1 3.95Å; M104-I136 HydrophobicContact CB-CG2 4.42Å; M104-I136 HydrophobicContact CG-CD1 4.44Å; M104-I136 HydrophobicContact SD-CD1 3.89Å; A105-I136 HydrophobicContact CB-CG2 4.44Å; L109-I136 HydrophobicContact CB-CG2 3.74Å; L109-I136 HydrophobicContact CD2-CG2 4.13Å; L109-I136 VanDerWaalsContact CD2-O 3.31Å; L109-I136 WeakPolarHBondContact CD2-O 3.49Å; L109-I136 HydrophobicContact CG-CG2 4.46Å; Q132-I136 HydrophobicContact CG-CD1 4.11Å; Q132-I136 HydrophobicContact CG-CG1 4.48Å; Q132-I136 WeakPolarHBondContact O-CG1 3.4Å; Q132-I136 PolarHBondContact O-N 2.88Å; Q132-I136 VanDerWaalsContact O-N 3.1Å; G133-I136 PolarHBondContact O-N 3Å |
| 137 | G | 91 | Very high | 94.1 | Very high | 12 Ų | 12 | 8.5 Ų | 8.5 | 12% | 0.124 | 5% | 0.05 | C | C | . | . | trans | -160.1 | 163.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y127 G133 S134 | Y127-G137 VanDerWaalsContact CE1-C 3.44Å; Y127-G137 WeakPolarHBondContact CE1-O 3.27Å; G133-G137 PolarHBondContact O-N 3.19Å; S134-G137 CarbonylContact C-O 3.41Å; S134-G137 VanDerWaalsContact CA-O 3.24Å; S134-G137 WeakPolarHBondContact CA-O 3.49Å; S134-G137 CarbonylContact O-C 3.58Å | ||
| 138 | S | 78.3 | Confident | 93.8 | Very high | 38 Ų | 38 | 8.3 Ų | 8.3 | 27% | 0.266 | 5% | 0.049 | S | C | . | . | trans | -148.7 | 98.7 | -169.5 | -32.7 | 0 | 0 | 0 | 0 | 112.2 | S134 V276 T278 | S134-S138 PolarHBondContact O-OG 3.36Å; S134-S138 VanDerWaalsContact O-OG 3.1Å; S138-V276 WeakPolarHBondContact O-CG1 3.38Å; S138-T278 PolarHBondContact O-OG1 2.86Å; S138-T278 VanDerWaalsContact O-OG1 3.1Å | ||
| 139 | F | 87.9 | Confident | 93.4 | Very high | 58 Ų | 58 | 9 Ų | 9 | 25% | 0.254 | 6% | 0.057 | S | C | . | . | S | Bend | trans | -116.2 | -63 | 158.8 | -89.7 | -120.3 | 0 | 0 | 0 | 107.5 | Y127 V276 T278 A279 | Y127-F139 WeakPolarHBondContact O-CB 3.32Å; F139-V276 HydrophobicContact CB-CG1 4.5Å; F139-V276 HydrophobicContact CD1-CG1 4.15Å; F139-V276 HydrophobicContact CD2-CB 4.41Å; F139-V276 HydrophobicContact CD2-CG1 3.06Å; F139-V276 HydrophobicContact CE1-CG1 4.14Å; F139-V276 HydrophobicContact CE2-CB 4.16Å; F139-V276 HydrophobicContact CE2-CG1 3.04Å; F139-V276 HydrophobicContact CE2-CG2 4.02Å; F139-V276 HydrophobicContact CG-CG1 3.63Å; F139-V276 HydrophobicContact CZ-CG1 3.6Å; F139-T278 CarbonylContact O-C 2.95Å; F139-T278 WeakPolarHBondContact O-CA 3.47Å; F139-A279 PolarHBondContact O-N 2.66Å |
| 140 | H | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 109.5 | 170.1 | -61.9 | -84.7 | 0 | 0 | 0 | 110 | Y127 V128 G129 Y281 L332 L336 | Y127-H140 PolarHBondContact O-N 3.02Å; V128-H140 CarbonylContact C-O 3.08Å; V128-H140 WeakPolarHBondContact CA-O 3.36Å; V128-H140 HydrophobicContact CB-CB 4.39Å; V128-H140 HydrophobicContact CG1-CB 4.21Å; V128-H140 HydrophobicContact CG2-CB 4.13Å; G129-H140 PolarHBondContact N-O 2.94Å; H140-Y281 HydrophobicContact CB-CE2 3.94Å; H140-Y281 AromaticContact ND1-CE2 3.68Å; H140-Y281 AromaticContact ND1-CZ 3.81Å; H140-Y281 PolarHBondContact ND1-OH 3.49Å; H140-L332 HydrophobicContact CB-CD1 3.78Å; H140-L332 VanDerWaalsContact ND1-CD1 3.3Å; H140-L332 WeakPolarHBondContact ND1-CD1 3.34Å; H140-L336 WeakPolarHBondContact NE2-CD2 3.44Å |
| 141 | A | 95.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 2% | 0.017 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 102.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P144 A279 L280 Y281 | A141-P144 HydrophobicContact CB-CB 4.25Å; A141-A279 PolarHBondContact N-O 3.07Å; A141-L280 HydrophobicContact CB-CD2 3.68Å; A141-Y281 PolarHBondContact O-N 2.92Å |
| 142 | F | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 124.5 | 169.6 | -72.3 | -50.9 | 0 | 0 | 0 | 110.4 | W52 L61 V128 G129 H130 S131 Y281 F318 A328 Y329 L332 | W52-F142 HydrophobicContact CH2-CD2 4.1Å; W52-F142 HydrophobicContact CZ3-CD2 4.38Å; L61-F142 HydrophobicContact CD2-CE2 3.95Å; V128-F142 HydrophobicContact CG1-CD2 3.56Å; V128-F142 HydrophobicContact CG1-CE2 3.43Å; V128-F142 VanDerWaalsContact CG1-CE2 3.43Å; V128-F142 HydrophobicContact CG1-CZ 4.49Å; G129-F142 PolarHBondContact O-N 3.29Å; H130-F142 CarbonylContact C-O 3.53Å; H130-F142 WeakPolarHBondContact CA-O 3.46Å; H130-F142 HydrophobicContact CB-CB 4.36Å; S131-F142 PolarHBondContact N-O 3.12Å; F142-Y281 HydrophobicContact CD1-CD1 4.31Å; F142-Y281 AromaticContact CD1-CD2 3.99Å; F142-Y281 HydrophobicContact CD1-CD2 3.99Å; F142-Y281 AromaticContact CD1-CG 3.66Å; F142-Y281 HydrophobicContact CD1-CG 3.66Å; F142-Y281 AromaticContact CE1-CD1 3.69Å; F142-Y281 HydrophobicContact CE1-CD1 3.69Å; F142-Y281 AromaticContact CE1-CD2 3.88Å; F142-Y281 HydrophobicContact CE1-CD2 3.88Å; F142-Y281 HydrophobicContact CE1-CE1 4.28Å; F142-Y281 HydrophobicContact CE1-CE2 4.45Å; F142-Y281 AromaticContact CE1-CG 3.48Å; F142-Y281 HydrophobicContact CE1-CG 3.48Å; F142-Y281 VanDerWaalsContact CE1-CG 3.48Å; F142-F318 HydrophobicContact CB-CB 4.1Å; F142-F318 HydrophobicContact CB-CD1 3.99Å; F142-F318 HydrophobicContact CB-CG 4.08Å; F142-F318 AromaticContact CD1-CD1 3.31Å; F142-F318 HydrophobicContact CD1-CD1 3.31Å; F142-F318 AromaticContact CD1-CE1 3.66Å; F142-F318 HydrophobicContact CD1-CE1 3.66Å; F142-F318 HydrophobicContact CD1-CG 4.23Å; F142-F318 HydrophobicContact CE1-CD1 4.02Å; F142-F318 HydrophobicContact CE1-CE1 4.28Å; F142-F318 HydrophobicContact CG-CB 4.41Å; F142-F318 AromaticContact CG-CD1 3.85Å; F142-F318 HydrophobicContact CG-CD1 3.85Å; F142-F318 HydrophobicContact CG-CG 4.37Å; F142-A328 HydrophobicContact CE1-CB 3.85Å; F142-A328 HydrophobicContact CZ-CB 4.38Å; F142-Y329 HydrophobicContact CE2-CD1 4.43Å; F142-Y329 HydrophobicContact CE2-CE1 4.47Å; F142-Y329 HydrophobicContact CZ-CD1 4.26Å; F142-L332 HydrophobicContact CE2-CD2 3.85Å; F142-L332 HydrophobicContact CZ-CB 4.12Å; F142-L332 HydrophobicContact CZ-CD2 3.83Å |
| 143 | A | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 49.5 | 62.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | S131 V145 Y281 D286 H315 F318 | S131-A143 WeakPolarHBondContact CA-O 3.2Å; A143-V145 PolarHBondContact O-N 3.21Å; A143-Y281 PolarHBondContact N-O 3.38Å; A143-D286 WeakPolarHBondContact CB-OD2 3.28Å; A143-H315 WeakPolarHBondContact CB-ND1 3.36Å; A143-F318 HydrophobicContact CB-CD2 3.72Å; A143-F318 HydrophobicContact CB-CE2 3.98Å |
| 144 | P | 95.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.026 | 12% | 0.122 | C | C | . | . | trans | -70.2 | 124.3 | -169.7 | 28.3 | -34.9 | 0 | 0 | 0 | 114.7 | S134 A141 A146 L280 S289 V294 L297 | S134-P144 VanDerWaalsContact OG-CA 3.23Å; S134-P144 WeakPolarHBondContact OG-CA 3.43Å; A141-P144 HydrophobicContact CB-CB 4.25Å; P144-A146 PolarHBondContact O-N 3.23Å; P144-L280 HydrophobicContact CG-CD2 4.29Å; P144-S289 PolarHBondContact O-OG 3.04Å; P144-V294 HydrophobicContact CG-CG1 4.37Å; P144-V294 HydrophobicContact CG-CG2 4.18Å; P144-L297 HydrophobicContact CB-CD2 4.04Å; P144-L297 HydrophobicContact CG-CD2 4.22Å | ||
| 145 | V | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -97.9 | 39.4 | -176.9 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | S131 A143 L148 F238 L288 | S131-V145 VanDerWaalsContact C-CG2 3.46Å; A143-V145 PolarHBondContact O-N 3.21Å; V145-L148 HydrophobicContact CB-CD2 4.07Å; V145-L148 HydrophobicContact CG1-CD2 4.24Å; V145-F238 HydrophobicContact CB-CE1 4.42Å; V145-F238 HydrophobicContact CG2-CE1 3.94Å; V145-F238 HydrophobicContact CG2-CZ 4.23Å; V145-L288 HydrophobicContact CG1-CG 4.22Å | ||
| 146 | A | 92.7 | Very high | 88.8 | Confident | 6 Ų | 6 | 25 Ų | 25 | 5% | 0.05 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -68.3 | -34 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P144 M247 L297 | P144-A146 PolarHBondContact O-N 3.23Å; A146-M247 HydrophobicContact CB-CE 4.3Å; A146-M247 HydrophobicContact CB-CG 4.38Å; A146-M247 HydrophobicContact CB-SD 4.1Å; A146-M247 WeakPolarHBondContact O-CB 3.46Å; A146-M247 WeakPolarHBondContact O-CG 3.33Å; A146-L297 HydrophobicContact CB-CD1 4.06Å; A146-L297 HydrophobicContact CB-CD2 3.92Å; A146-L297 HydrophobicContact CB-CG 4.43Å |
| 147 | F | 92.8 | Very high | 87.9 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.035 | 16% | 0.163 | C | C | . | . | trans | -123.3 | 148.3 | 171.3 | -62.2 | -75.6 | 0 | 0 | 0 | 108.8 | M247 D293 R296 L297 I300 | F147-M247 HydrophobicContact CD1-CB 4.34Å; F147-M247 HydrophobicContact CE1-CB 3.83Å; F147-M247 HydrophobicContact CZ-CB 4.12Å; F147-D293 HydrophobicContact CB-CB 3.78Å; F147-D293 WeakPolarHBondContact O-CB 3.33Å; F147-R296 VanDerWaalsContact CD1-CZ 3.47Å; F147-R296 VanDerWaalsContact CD1-NH1 3.32Å; F147-R296 HydrophobicContact CD2-CB 4.12Å; F147-R296 HydrophobicContact CD2-CG 3.98Å; F147-R296 HydrophobicContact CE2-CB 4.31Å; F147-R296 HydrophobicContact CE2-CG 3.8Å; F147-R296 HydrophobicContact CZ-CG 4.18Å; F147-L297 HydrophobicContact CD2-CB 4.36Å; F147-L297 HydrophobicContact CE2-CB 4.32Å; F147-I300 HydrophobicContact CE2-CD1 3.74Å; F147-I300 HydrophobicContact CZ-CD1 3.56Å | ||
| 148 | L | 91.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -139.7 | 18.7 | -178.1 | -66.9 | 174.2 | 0 | 0 | 0 | 112 | V145 H150 T151 F238 L241 I242 L288 D293 | V145-L148 HydrophobicContact CB-CD2 4.07Å; V145-L148 HydrophobicContact CG1-CD2 4.24Å; L148-H150 VanDerWaalsContact C-N 3.3Å; L148-H150 PolarHBondContact O-N 2.91Å; L148-T151 HydrophobicContact CB-CG2 4.41Å; L148-T151 WeakPolarHBondContact O-CG2 3.49Å; L148-F238 HydrophobicContact CD1-CD1 3.47Å; L148-F238 VanDerWaalsContact CD1-CD1 3.47Å; L148-F238 HydrophobicContact CD1-CE1 3.94Å; L148-L241 HydrophobicContact CB-CB 4.49Å; L148-L241 HydrophobicContact CD1-CB 4.17Å; L148-L241 HydrophobicContact CD1-CD1 4.25Å; L148-I242 HydrophobicContact CB-CG1 3.77Å; L148-I242 HydrophobicContact CD1-CG1 4.13Å; L148-L288 HydrophobicContact CD2-CD1 4.05Å; L148-L288 HydrophobicContact CD2-CG 4.47Å; L148-L288 VanDerWaalsContact CD2-O 3.3Å; L148-L288 WeakPolarHBondContact CD2-O 3.46Å; L148-D293 WeakPolarHBondContact CA-OD2 3.45Å | ||
| 149 | G | 89.2 | Confident | 86.9 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 17% | 0.165 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -67.5 | -32 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | R159 D245 D293 | G149-R159 PolarHBondContact O-NH2 3.13Å; G149-D245 VanDerWaalsContact CA-OD1 3.29Å; G149-D245 WeakPolarHBondContact CA-OD1 3.44Å; G149-D245 PolarHBondContact N-OD1 2.74Å; G149-D293 PolarHBondContact N-OD2 3.38Å |
| 150 | H | 91.8 | Very high | 86.3 | Confident | 95 Ų | 95 | 38 Ų | 38 | 44% | 0.44 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -102.6 | 4.4 | -178.4 | -58.1 | 86.1 | 0 | 0 | 0 | 113.3 | L148 K152 D290 A292 D293 | L148-H150 VanDerWaalsContact C-N 3.3Å; L148-H150 PolarHBondContact O-N 2.91Å; H150-K152 PolarHBondContact O-N 3.35Å; H150-D290 HydrophobicContact CB-CB 4.13Å; H150-A292 HydrophobicContact CB-CB 4.11Å; H150-D293 WeakPolarHBondContact CA-OD2 3.42Å; H150-D293 WeakPolarHBondContact CB-OD2 3.12Å; H150-D293 IonicContact CE1-OD1 2.67Å; H150-D293 IonicContact CG-OD1 3.56Å; H150-D293 PolarHBondContact N-OD1 2.97Å; H150-D293 PolarHBondContact N-OD2 3.12Å; H150-D293 IonicContact ND1-OD1 2.84Å; H150-D293 PolarHBondContact ND1-OD1 3.08Å |
| 151 | T | 88.7 | Confident | 85.3 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | trans | -54.2 | 139.2 | 175.8 | -157.4 | 0 | 0 | 0 | 0 | 111.2 | L148 T153 T156 I242 I287 L288 D293 | L148-T151 HydrophobicContact CB-CG2 4.41Å; L148-T151 WeakPolarHBondContact O-CG2 3.49Å; T151-T153 HydrophobicContact CG2-CG2 3.82Å; T151-T153 WeakPolarHBondContact OG1-CG2 3.37Å; T151-T156 HydrophobicContact CG2-CG2 3.52Å; T151-T156 WeakPolarHBondContact O-CG2 3.22Å; T151-I242 HydrophobicContact CG2-CD1 4.34Å; T151-I242 HydrophobicContact CG2-CG1 4.06Å; T151-I242 HydrophobicContact CG2-CG2 4.41Å; T151-I287 PolarHBondContact OG1-O 3.05Å; T151-I287 VanDerWaalsContact OG1-O 3.04Å; T151-L288 WeakPolarHBondContact CB-O 3.45Å; T151-L288 VanDerWaalsContact OG1-CA 3.31Å; T151-L288 WeakPolarHBondContact OG1-CA 3.27Å; T151-L288 PolarHBondContact OG1-O 3.36Å; T151-D293 PolarHBondContact N-OD2 3.28Å | ||
| 152 | K | 86.6 | Confident | 84.1 | Confident | 138 Ų | 138 | 43.4 Ų | 43.4 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | trans | -110.8 | 3.3 | -176.4 | -63.8 | 167 | -176 | 144.5 | 0 | 112.7 | H150 I287 D290 | H150-K152 PolarHBondContact O-N 3.35Å; K152-I287 HydrophobicContact CB-CB 4.06Å; K152-I287 HydrophobicContact CB-CG2 4.46Å; K152-I287 PolarHBondContact N-O 3.22Å; K152-D290 VanDerWaalsContact CE-OD2 3.25Å; K152-D290 WeakPolarHBondContact CE-OD2 3.5Å; K152-D290 IonicContact NZ-OD2 2.55Å; K152-D290 PolarHBondContact NZ-OD2 2.94Å | ||
| 153 | T | 82.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -57.3 | 155.4 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | T151 L155 T156 L205 I206 I287 L288 | T151-T153 HydrophobicContact CG2-CG2 3.82Å; T151-T153 WeakPolarHBondContact OG1-CG2 3.37Å; T153-L155 HydrophobicContact CG2-CB 3.7Å; T153-L155 HydrophobicContact CG2-CD1 4.23Å; T153-L155 HydrophobicContact CG2-CG 4.11Å; T153-L155 PolarHBondContact O-N 2.67Å; T153-L155 PolarHBondContact OG1-N 2.68Å; T153-T156 WeakPolarHBondContact O-CB 3.46Å; T153-T156 WeakPolarHBondContact O-CG2 3.26Å; T153-T156 PolarHBondContact O-N 3.34Å; T153-T156 PolarHBondContact O-OG1 3.14Å; T153-L205 PolarHBondContact OG1-O 3.15Å; T153-I206 PolarHBondContact OG1-O 2.8Å; T153-I287 PolarHBondContact N-O 3.09Å; T153-L288 HydrophobicContact CG2-CD1 3.88Å |
| 154 | V | 77.2 | Confident | 81.5 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 30% | 0.303 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -57.6 | -21.4 | 174.5 | 77.1 | 0 | 0 | 0 | 0 | 112.5 | T156 L157 L205 | V154-T156 PolarHBondContact O-N 3.06Å; V154-T156 VanDerWaalsContact O-N 3.13Å; V154-L157 HydrophobicContact CG2-CD1 3.82Å; V154-L157 HydrophobicContact CG2-CG 4.46Å; V154-L157 WeakPolarHBondContact O-CB 3.44Å; V154-L157 PolarHBondContact O-N 2.83Å; V154-L205 HydrophobicContact CB-CB 4.13Å; V154-L205 HydrophobicContact CB-CD2 4.12Å; V154-L205 HydrophobicContact CG1-CB 3.98Å; V154-L205 WeakPolarHBondContact CG1-O 3.5Å; V154-L205 HydrophobicContact CG2-CD2 4.31Å; V154-L205 PolarHBondContact N-O 3.44Å; V154-L205 VanDerWaalsContact N-O 3.08Å |
| 155 | L | 71.9 | Confident | 80.1 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -59.6 | -23.4 | 175.6 | -58.4 | 175.8 | 0 | 0 | 0 | 112.4 | T153 L157 L158 F162 I242 | T153-L155 HydrophobicContact CG2-CB 3.7Å; T153-L155 HydrophobicContact CG2-CD1 4.23Å; T153-L155 HydrophobicContact CG2-CG 4.11Å; T153-L155 PolarHBondContact O-N 2.67Å; T153-L155 PolarHBondContact OG1-N 2.68Å; L155-L157 PolarHBondContact O-N 2.74Å; L155-L158 HydrophobicContact CD2-CD1 4.2Å; L155-L158 WeakPolarHBondContact O-CB 3.23Å; L155-L158 PolarHBondContact O-N 2.8Å; L155-F162 HydrophobicContact CB-CZ 4.37Å; L155-F162 VanDerWaalsContact O-CE2 3.3Å; L155-F162 WeakPolarHBondContact O-CE2 3.32Å; L155-I242 HydrophobicContact CB-CD1 4.16Å |
| 156 | T | 78.2 | Confident | 78.8 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -62.8 | -30.4 | 173.3 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | T151 T153 V154 L158 R159 I242 | T151-T156 HydrophobicContact CG2-CG2 3.52Å; T151-T156 WeakPolarHBondContact O-CG2 3.22Å; T153-T156 WeakPolarHBondContact O-CB 3.46Å; T153-T156 WeakPolarHBondContact O-CG2 3.26Å; T153-T156 PolarHBondContact O-N 3.34Å; T153-T156 PolarHBondContact O-OG1 3.14Å; V154-T156 PolarHBondContact O-N 3.06Å; V154-T156 VanDerWaalsContact O-N 3.13Å; T156-L158 PolarHBondContact O-N 2.76Å; T156-R159 VanDerWaalsContact O-CB 3.26Å; T156-R159 WeakPolarHBondContact O-CB 3.33Å; T156-R159 WeakPolarHBondContact O-CD 3.47Å; T156-R159 WeakPolarHBondContact O-CG 3.33Å; T156-R159 PolarHBondContact O-N 2.81Å; T156-R159 VanDerWaalsContact O-N 3.12Å; T156-I242 HydrophobicContact CG2-CG2 4.48Å |
| 157 | L | 74.5 | Confident | 77.7 | Confident | 125 Ų | 125 | 65 Ų | 65 | 65% | 0.654 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -66.6 | -21 | 175 | -58.1 | -178.9 | 0 | 0 | 0 | 111.8 | V154 L155 R159 | V154-L157 HydrophobicContact CG2-CD1 3.82Å; V154-L157 HydrophobicContact CG2-CG 4.46Å; V154-L157 WeakPolarHBondContact O-CB 3.44Å; V154-L157 PolarHBondContact O-N 2.83Å; L155-L157 PolarHBondContact O-N 2.74Å; L157-R159 VanDerWaalsContact C-N 3.33Å |
| 158 | L | 70.3 | Confident | 76.1 | Confident | 79 Ų | 79 | 67.1 Ų | 67.1 | 41% | 0.414 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -87.3 | 0.2 | 177.5 | -55.1 | 179.5 | 0 | 0 | 0 | 113.2 | L155 T156 P160 F161 F162 | L155-L158 HydrophobicContact CD2-CD1 4.2Å; L155-L158 WeakPolarHBondContact O-CB 3.23Å; L155-L158 PolarHBondContact O-N 2.8Å; T156-L158 PolarHBondContact O-N 2.76Å; L158-P160 VanDerWaalsContact C-CD 3.46Å; L158-F161 HydrophobicContact CD2-CD2 4.38Å; L158-F161 WeakPolarHBondContact O-CA 3.38Å; L158-F161 WeakPolarHBondContact O-CB 3.45Å; L158-F161 PolarHBondContact O-N 3.36Å; L158-F162 HydrophobicContact CB-CE1 4.43Å; L158-F162 HydrophobicContact CB-CE2 4.16Å; L158-F162 HydrophobicContact CB-CZ 3.99Å; L158-F162 PolarHBondContact O-N 2.79Å; L158-F162 VanDerWaalsContact O-N 3.08Å |
| 159 | R | 77.4 | Confident | 74.9 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -45.7 | -48.4 | 178.4 | -83.2 | 173.6 | 178.2 | -168.5 | -2 | 114.2 | G149 T156 L157 F161 F162 I242 I243 | G149-R159 PolarHBondContact O-NH2 3.13Å; T156-R159 VanDerWaalsContact O-CB 3.26Å; T156-R159 WeakPolarHBondContact O-CB 3.33Å; T156-R159 WeakPolarHBondContact O-CD 3.47Å; T156-R159 WeakPolarHBondContact O-CG 3.33Å; T156-R159 PolarHBondContact O-N 2.81Å; T156-R159 VanDerWaalsContact O-N 3.12Å; L157-R159 VanDerWaalsContact C-N 3.33Å; R159-F161 PolarHBondContact O-N 3.26Å; R159-F162 PolarHBondContact O-N 3.36Å; R159-I242 HydrophobicContact CG-CG2 3.64Å; R159-I242 PolarHBondContact NH2-O 3.01Å; R159-I243 HydrophobicContact CG-CG1 4.47Å |
| 160 | P | 76.6 | Confident | 73.5 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 63% | 0.63 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.6 | -29.8 | 179.2 | -22.4 | 34.4 | 0 | 0 | 0 | 113.2 | L158 | L158-P160 VanDerWaalsContact C-CD 3.46Å |
| 161 | F | 72.7 | Confident | 72.1 | Confident | 107 Ų | 107 | 72.5 Ų | 72.5 | 47% | 0.469 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -84.6 | -21.6 | -178.1 | -58.8 | -80 | 0 | 0 | 0 | 112.7 | L158 R159 W163 M164 I165 | L158-F161 HydrophobicContact CD2-CD2 4.38Å; L158-F161 WeakPolarHBondContact O-CA 3.38Å; L158-F161 WeakPolarHBondContact O-CB 3.45Å; L158-F161 PolarHBondContact O-N 3.36Å; R159-F161 PolarHBondContact O-N 3.26Å; F161-W163 PolarHBondContact O-N 3.24Å; F161-M164 HydrophobicContact CD1-CE 4.35Å; F161-M164 CarbonylContact O-C 2.93Å; F161-M164 PolarHBondContact O-N 3.13Å; F161-I165 WeakPolarHBondContact O-CB 3.47Å; F161-I165 PolarHBondContact O-N 3.03Å |
| 162 | F | 71.7 | Confident | 70.9 | Confident | 9 Ų | 9 | 79.9 Ų | 79.9 | 4% | 0.039 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.4 | -30.7 | -179.9 | -76 | -45.5 | 0 | 0 | 0 | 113.1 | L155 L158 R159 M164 I165 G239 I242 I243 | L155-F162 HydrophobicContact CB-CZ 4.37Å; L155-F162 VanDerWaalsContact O-CE2 3.3Å; L155-F162 WeakPolarHBondContact O-CE2 3.32Å; L158-F162 HydrophobicContact CB-CE1 4.43Å; L158-F162 HydrophobicContact CB-CE2 4.16Å; L158-F162 HydrophobicContact CB-CZ 3.99Å; L158-F162 PolarHBondContact O-N 2.79Å; L158-F162 VanDerWaalsContact O-N 3.08Å; R159-F162 PolarHBondContact O-N 3.36Å; F162-M164 PolarHBondContact O-N 2.67Å; F162-I165 HydrophobicContact CD1-CB 4.43Å; F162-I165 HydrophobicContact CD1-CD1 3.43Å; F162-I165 VanDerWaalsContact CD1-CD1 3.43Å; F162-I165 HydrophobicContact CD1-CG1 4.42Å; F162-I165 HydrophobicContact CD1-CG2 4.22Å; F162-I165 HydrophobicContact CE1-CD1 3.68Å; F162-I165 WeakPolarHBondContact O-CB 3.11Å; F162-I165 WeakPolarHBondContact O-CG2 3.22Å; F162-I165 PolarHBondContact O-N 3.23Å; F162-G239 VanDerWaalsContact CD2-CA 3.46Å; F162-G239 VanDerWaalsContact CG-CA 3.45Å; F162-I242 HydrophobicContact CE2-CD1 4.06Å; F162-I242 HydrophobicContact CE2-CG2 4.44Å; F162-I242 HydrophobicContact CZ-CD1 4.41Å; F162-I243 HydrophobicContact CB-CD1 3.34Å; F162-I243 HydrophobicContact CB-CG1 4.22Å; F162-I243 HydrophobicContact CD2-CD1 4.44Å; F162-I243 HydrophobicContact CD2-CG1 4.47Å; F162-I243 HydrophobicContact CG-CD1 4.36Å |
| 163 | W | 68.4 | Low | 70.2 | Confident | 169 Ų | 169 | 74.7 Ų | 74.7 | 64% | 0.64 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.7 | -35.6 | 173.6 | -74.8 | 113.6 | 0 | 0 | 0 | 113.7 | F161 I165 I243 | F161-W163 PolarHBondContact O-N 3.24Å; W163-I165 VanDerWaalsContact C-N 3.3Å; W163-I243 HydrophobicContact CD2-CD1 4.31Å; W163-I243 HydrophobicContact CG-CD1 4.28Å; W163-I243 HydrophobicContact CZ2-CG2 3.7Å |
| 164 | M | 68.7 | Low | 70.3 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 43% | 0.433 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -84.9 | -10.4 | 176.2 | -166.1 | 170.1 | 57.5 | 0 | 0 | 111.9 | F161 F162 N166 W167 M168 | F161-M164 HydrophobicContact CD1-CE 4.35Å; F161-M164 CarbonylContact O-C 2.93Å; F161-M164 PolarHBondContact O-N 3.13Å; F162-M164 PolarHBondContact O-N 2.67Å; M164-N166 VanDerWaalsContact C-N 3.32Å; M164-N166 PolarHBondContact O-N 3.45Å; M164-W167 HydrophobicContact CG-CE3 4.14Å; M164-W167 WeakPolarHBondContact O-CA 3.06Å; M164-W167 WeakPolarHBondContact O-CB 3.25Å; M164-W167 PolarHBondContact O-N 2.96Å; M164-M168 HydrophobicContact CE-CG 4.28Å; M164-M168 HydrophobicContact CE-SD 3.74Å; M164-M168 HydrophobicContact CG-CG 4.08Å; M164-M168 PolarHBondContact O-N 2.87Å |
| 165 | I | 66.6 | Low | 70.8 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 9% | 0.087 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | -170.8 | -130 | -176.4 | 0 | 0 | 0 | 110.5 | F161 F162 W163 W167 M168 L169 A236 | F161-I165 WeakPolarHBondContact O-CB 3.47Å; F161-I165 PolarHBondContact O-N 3.03Å; F162-I165 HydrophobicContact CD1-CB 4.43Å; F162-I165 HydrophobicContact CD1-CD1 3.43Å; F162-I165 VanDerWaalsContact CD1-CD1 3.43Å; F162-I165 HydrophobicContact CD1-CG1 4.42Å; F162-I165 HydrophobicContact CD1-CG2 4.22Å; F162-I165 HydrophobicContact CE1-CD1 3.68Å; F162-I165 WeakPolarHBondContact O-CB 3.11Å; F162-I165 WeakPolarHBondContact O-CG2 3.22Å; F162-I165 PolarHBondContact O-N 3.23Å; W163-I165 VanDerWaalsContact C-N 3.3Å; I165-W167 PolarHBondContact O-N 3.24Å; I165-M168 HydrophobicContact CG1-CE 4.24Å; I165-M168 PolarHBondContact O-N 3.36Å; I165-M168 VanDerWaalsContact O-N 3.17Å; I165-L169 HydrophobicContact CB-CD1 3.82Å; I165-L169 HydrophobicContact CB-CG 4.34Å; I165-L169 HydrophobicContact CD1-CD1 3.84Å; I165-L169 HydrophobicContact CD1-CD2 4.48Å; I165-L169 HydrophobicContact CD1-CG 4.46Å; I165-L169 HydrophobicContact CG1-CD1 3.46Å; I165-L169 VanDerWaalsContact CG1-CD1 3.46Å; I165-L169 HydrophobicContact CG1-CD2 4.09Å; I165-L169 HydrophobicContact CG1-CG 3.77Å; I165-L169 HydrophobicContact CG2-CD1 3.61Å; I165-L169 WeakPolarHBondContact O-CB 3.37Å; I165-L169 VanDerWaalsContact O-CD1 3.31Å; I165-L169 WeakPolarHBondContact O-CD1 2.97Å; I165-L169 WeakPolarHBondContact O-CG 3.39Å; I165-L169 PolarHBondContact O-N 2.93Å; I165-A236 HydrophobicContact CG2-CB 3.54Å |
| 166 | N | 64.2 | Low | 71.1 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 21% | 0.209 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -53.8 | -45.6 | 173.7 | -68.9 | -1.1 | 0 | 0 | 0 | 111.2 | M164 E170 A236 Y250 | M164-N166 VanDerWaalsContact C-N 3.32Å; M164-N166 PolarHBondContact O-N 3.45Å; N166-E170 WeakPolarHBondContact O-CB 3.4Å; N166-E170 VanDerWaalsContact O-CG 3.27Å; N166-E170 WeakPolarHBondContact O-CG 3.23Å; N166-E170 PolarHBondContact O-N 2.74Å; N166-E170 VanDerWaalsContact O-N 3.13Å; N166-A236 WeakPolarHBondContact OD1-CB 3.44Å; N166-Y250 PolarHBondContact ND2-OH 3.01Å; N166-Y250 VanDerWaalsContact ND2-OH 3.12Å; N166-Y250 PolarHBondContact OD1-OH 2.83Å |
| 167 | W | 69.5 | Low | 70.7 | Confident | 152 Ų | 152 | 81.4 Ų | 81.4 | 58% | 0.576 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67 | -50.6 | 176.3 | 179.3 | 85.7 | 0 | 0 | 0 | 112.2 | M164 I165 L169 E170 N171 F172 | M164-W167 HydrophobicContact CG-CE3 4.14Å; M164-W167 WeakPolarHBondContact O-CA 3.06Å; M164-W167 WeakPolarHBondContact O-CB 3.25Å; M164-W167 PolarHBondContact O-N 2.96Å; I165-W167 PolarHBondContact O-N 3.24Å; W167-L169 VanDerWaalsContact C-N 3.33Å; W167-L169 PolarHBondContact O-N 3.14Å; W167-E170 PolarHBondContact O-N 2.91Å; W167-N171 PolarHBondContact O-N 3.4Å; W167-N171 PolarHBondContact O-ND2 2.62Å; W167-F172 HydrophobicContact CZ3-CE2 4.16Å |
| 168 | M | 60.6 | Low | 70 | Confident | 52 Ų | 52 | 79.1 Ų | 79.1 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | -177.7 | -67.8 | -161.6 | -47.8 | 0 | 0 | 112.1 | M164 I165 N171 F172 | M164-M168 HydrophobicContact CE-CG 4.28Å; M164-M168 HydrophobicContact CE-SD 3.74Å; M164-M168 HydrophobicContact CG-CG 4.08Å; M164-M168 PolarHBondContact O-N 2.87Å; I165-M168 HydrophobicContact CG1-CE 4.24Å; I165-M168 PolarHBondContact O-N 3.36Å; I165-M168 VanDerWaalsContact O-N 3.17Å; M168-N171 PolarHBondContact O-N 3.13Å; M168-N171 VanDerWaalsContact O-N 3.08Å; M168-F172 HydrophobicContact CB-CD2 4Å; M168-F172 HydrophobicContact CB-CE2 4.28Å; M168-F172 HydrophobicContact CG-CE2 4.38Å; M168-F172 WeakPolarHBondContact O-CB 3.31Å; M168-F172 WeakPolarHBondContact O-CD2 3.36Å; M168-F172 PolarHBondContact O-N 2.91Å |
| 169 | L | 64.7 | Low | 69.4 | Low | 32 Ų | 32 | 81.7 Ų | 81.7 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -74.1 | -31.2 | -174.2 | -62 | 169.9 | 0 | 0 | 0 | 111.5 | I165 W167 N171 G173 T232 A236 | I165-L169 HydrophobicContact CB-CD1 3.82Å; I165-L169 HydrophobicContact CB-CG 4.34Å; I165-L169 HydrophobicContact CD1-CD1 3.84Å; I165-L169 HydrophobicContact CD1-CD2 4.48Å; I165-L169 HydrophobicContact CD1-CG 4.46Å; I165-L169 HydrophobicContact CG1-CD1 3.46Å; I165-L169 VanDerWaalsContact CG1-CD1 3.46Å; I165-L169 HydrophobicContact CG1-CD2 4.09Å; I165-L169 HydrophobicContact CG1-CG 3.77Å; I165-L169 HydrophobicContact CG2-CD1 3.61Å; I165-L169 WeakPolarHBondContact O-CB 3.37Å; I165-L169 VanDerWaalsContact O-CD1 3.31Å; I165-L169 WeakPolarHBondContact O-CD1 2.97Å; I165-L169 WeakPolarHBondContact O-CG 3.39Å; I165-L169 PolarHBondContact O-N 2.93Å; W167-L169 VanDerWaalsContact C-N 3.33Å; W167-L169 PolarHBondContact O-N 3.14Å; L169-N171 PolarHBondContact O-N 3.05Å; L169-G173 VanDerWaalsContact O-O 3.08Å; L169-T232 HydrophobicContact CB-CG2 3.31Å; L169-T232 HydrophobicContact CD1-CG2 3.65Å; L169-T232 HydrophobicContact CD2-CG2 2.99Å; L169-T232 HydrophobicContact CG-CG2 3.35Å; L169-A236 HydrophobicContact CD1-CB 3.82Å |
| 170 | E | 61.1 | Low | 68.5 | Low | 97 Ų | 97 | 79.4 Ų | 79.4 | 45% | 0.453 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.3 | -24.7 | 168.6 | -79.6 | -168.2 | -137.7 | 0 | 0 | 113.4 | K94 N166 W167 | K94-E170 IonicContact NZ-OE2 2.83Å; K94-E170 PolarHBondContact NZ-OE2 3.4Å; N166-E170 WeakPolarHBondContact O-CB 3.4Å; N166-E170 VanDerWaalsContact O-CG 3.27Å; N166-E170 WeakPolarHBondContact O-CG 3.23Å; N166-E170 PolarHBondContact O-N 2.74Å; N166-E170 VanDerWaalsContact O-N 3.13Å; W167-E170 PolarHBondContact O-N 2.91Å |
| 171 | N | 61.9 | Low | 67.9 | Low | 96 Ų | 96 | 78.3 Ų | 78.3 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -102.1 | -23.2 | -174.4 | -74.8 | -77.6 | 0 | 0 | 0 | 114.6 | W167 M168 L169 | W167-N171 PolarHBondContact O-N 3.4Å; W167-N171 PolarHBondContact O-ND2 2.62Å; M168-N171 PolarHBondContact O-N 3.13Å; M168-N171 VanDerWaalsContact O-N 3.08Å; L169-N171 PolarHBondContact O-N 3.05Å |
| 172 | F | 63.5 | Low | 67.5 | Low | 161 Ų | 161 | 77 Ų | 77 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -115.9 | -11.2 | -171.2 | -61.3 | -63.7 | 0 | 0 | 0 | 115.7 | W167 M168 | W167-F172 HydrophobicContact CZ3-CE2 4.16Å; M168-F172 HydrophobicContact CB-CD2 4Å; M168-F172 HydrophobicContact CB-CE2 4.28Å; M168-F172 HydrophobicContact CG-CE2 4.38Å; M168-F172 WeakPolarHBondContact O-CB 3.31Å; M168-F172 WeakPolarHBondContact O-CD2 3.36Å; M168-F172 PolarHBondContact O-N 2.91Å |
| 173 | G | 72 | Confident | 67.3 | Low | 30 Ų | 30 | 78.7 Ų | 78.7 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | trans | 161.9 | 135 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L169 T232 | L169-G173 VanDerWaalsContact O-O 3.08Å; G173-T232 WeakPolarHBondContact O-CB 3.12Å; G173-T232 WeakPolarHBondContact O-CG2 3.18Å; G173-T232 PolarHBondContact O-OG1 2.81Å | ||
| 174 | Y | 85.1 | Confident | 67.3 | Low | 95 Ų | 95 | 78.2 Ų | 78.2 | 37% | 0.373 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -85.9 | -30.6 | -174.5 | -39.4 | -60.6 | 0 | 0 | 0 | 114 | K94 W97 T232 | K94-Y174 HydrophobicContact CB-CD1 3.97Å; K94-Y174 HydrophobicContact CB-CD2 4.44Å; K94-Y174 HydrophobicContact CB-CE1 3.63Å; K94-Y174 HydrophobicContact CB-CE2 4.13Å; K94-Y174 HydrophobicContact CB-CG 4.36Å; K94-Y174 HydrophobicContact CD-CD1 4.49Å; K94-Y174 HydrophobicContact CD-CE1 3.92Å; K94-Y174 HydrophobicContact CG-CD1 3.81Å; K94-Y174 HydrophobicContact CG-CE1 3.62Å; W97-Y174 WeakPolarHBondContact CB-O 3.5Å; W97-Y174 VanDerWaalsContact CD1-CB 3.44Å; Y174-T232 PolarHBondContact O-N 3.49Å; Y174-T232 PolarHBondContact O-OG1 3.49Å |
| 175 | E | 86.5 | Confident | 67.3 | Low | 32 Ų | 32 | 81.6 Ų | 81.6 | 15% | 0.15 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.9 | 167.4 | -177 | 172.7 | 172.5 | 0 | 0 | 109.2 | K84 W97 M177 P178 T232 | K84-E175 WeakPolarHBondContact CE-OE1 3.37Å; K84-E175 VanDerWaalsContact NZ-CD 3.25Å; K84-E175 IonicContact NZ-OE1 3.65Å; K84-E175 PolarHBondContact NZ-OE1 3.42Å; K84-E175 IonicContact NZ-OE2 3.34Å; K84-E175 PolarHBondContact NZ-OE2 3Å; W97-E175 HydrophobicContact CD2-CB 4.07Å; W97-E175 HydrophobicContact CE3-CB 4.33Å; W97-E175 HydrophobicContact CH2-CB 3.74Å; W97-E175 VanDerWaalsContact CH2-CD 3.43Å; W97-E175 HydrophobicContact CH2-CG 3.39Å; W97-E175 HydrophobicContact CZ2-CB 3.47Å; W97-E175 VanDerWaalsContact CZ2-CB 3.47Å; W97-E175 HydrophobicContact CZ2-CG 3.61Å; W97-E175 VanDerWaalsContact CZ2-OE2 3.3Å; W97-E175 WeakPolarHBondContact CZ2-OE2 3.49Å; W97-E175 HydrophobicContact CZ3-CB 4.16Å; W97-E175 HydrophobicContact CZ3-CG 3.91Å; E175-M177 PolarHBondContact O-N 3.38Å; E175-P178 HydrophobicContact CB-CB 4.02Å; E175-P178 HydrophobicContact CG-CB 3.94Å; E175-P178 WeakPolarHBondContact O-CD 3.49Å; E175-T232 VanDerWaalsContact C-OG1 3.22Å |
| 176 | F | 79.7 | Confident | 67.4 | Low | 49 Ų | 49 | 84.3 Ų | 84.3 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.1 | 173.3 | -173.9 | -100.7 | 0 | 0 | 0 | 110 | L46 T230 T232 I235 | L46-F176 HydrophobicContact CD1-CD1 4.36Å; L46-F176 HydrophobicContact CD1-CE1 4.08Å; L46-F176 HydrophobicContact CD2-CD1 3.8Å; L46-F176 HydrophobicContact CD2-CE1 4.34Å; F176-T230 HydrophobicContact CB-CG2 3.96Å; F176-T230 HydrophobicContact CD1-CG2 4.45Å; F176-T230 PolarHBondContact N-O 3.03Å; F176-T232 HydrophobicContact CD2-CG2 4.33Å; F176-T232 PolarHBondContact N-OG1 3.08Å; F176-I235 HydrophobicContact CB-CG1 4.02Å; F176-I235 HydrophobicContact CD1-CD1 4.11Å; F176-I235 HydrophobicContact CD1-CG1 3.92Å; F176-I235 HydrophobicContact CD2-CB 4.45Å; F176-I235 HydrophobicContact CD2-CG1 3.84Å; F176-I235 HydrophobicContact CE1-CD1 4.2Å; F176-I235 HydrophobicContact CE1-CG1 4.26Å; F176-I235 HydrophobicContact CE2-CG1 4.21Å; F176-I235 HydrophobicContact CE2-CG2 4.24Å; F176-I235 HydrophobicContact CG-CD1 4.35Å; F176-I235 HydrophobicContact CG-CG1 3.66Å; F176-I235 HydrophobicContact CZ-CG1 4.38Å |
| 177 | M | 69.2 | Low | 67.7 | Low | 94 Ų | 94 | 82.8 Ų | 82.8 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 57.5 | 58.2 | -177.8 | -60.3 | -179.9 | 176.9 | 0 | 0 | 114.4 | E175 K179 P227 | E175-M177 PolarHBondContact O-N 3.38Å; M177-K179 PolarHBondContact O-N 2.99Å; M177-P227 HydrophobicContact SD-CG 4.1Å |
| 178 | P | 58.8 | Low | 67.9 | Low | 77 Ų | 77 | 77.6 Ų | 77.6 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | trans | -66 | -18.4 | -171.6 | 24.9 | -32.7 | 0 | 0 | 0 | 114.8 | E175 A180 | E175-P178 HydrophobicContact CB-CB 4.02Å; E175-P178 HydrophobicContact CG-CB 3.94Å; E175-P178 WeakPolarHBondContact O-CD 3.49Å; P178-A180 VanDerWaalsContact C-N 3.32Å; P178-A180 PolarHBondContact O-N 3.48Å | ||
| 179 | K | 59 | Low | 68.5 | Low | 133 Ų | 133 | 80.1 Ų | 80.1 | 58% | 0.578 | 41% | 0.409 | S | S | * | . | trans | -93.1 | 61.3 | -177.3 | -62.1 | -171.2 | -178.6 | 179.7 | 0 | 111 | M177 S181 I182 V183 | M177-K179 PolarHBondContact O-N 2.99Å; K179-S181 PolarHBondContact O-N 3.16Å; K179-I182 HydrophobicContact CB-CB 4.1Å; K179-I182 HydrophobicContact CB-CD1 4.06Å; K179-I182 HydrophobicContact CB-CG1 4.12Å; K179-I182 HydrophobicContact CD-CD1 3.45Å; K179-I182 VanDerWaalsContact CD-CD1 3.45Å; K179-I182 HydrophobicContact CD-CG1 4.29Å; K179-I182 HydrophobicContact CG-CD1 4.39Å; K179-I182 PolarHBondContact O-N 2.92Å; K179-V183 PolarHBondContact O-N 3.1Å | ||
| 180 | A | 58.7 | Low | 69 | Low | 42 Ų | 42 | 81.6 Ų | 81.6 | 35% | 0.347 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -49.4 | -29.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112 | P178 V183 R184 | P178-A180 VanDerWaalsContact C-N 3.32Å; P178-A180 PolarHBondContact O-N 3.48Å; A180-V183 PolarHBondContact O-N 3.39Å; A180-R184 WeakPolarHBondContact O-CB 3.2Å; A180-R184 PolarHBondContact O-N 2.87Å |
| 181 | S | 63.1 | Low | 69.5 | Low | 74 Ų | 74 | 77.2 Ų | 77.2 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 173.3 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | K179 W185 | K179-S181 PolarHBondContact O-N 3.16Å; S181-W185 VanDerWaalsContact O-CB 3.26Å; S181-W185 WeakPolarHBondContact O-CB 3.36Å; S181-W185 PolarHBondContact O-N 3.04Å |
| 182 | I | 64.2 | Low | 70.1 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.9 | -44.3 | 176.4 | -72.8 | 179.4 | 0 | 0 | 0 | 110 | K179 R184 W185 L186 | K179-I182 HydrophobicContact CB-CB 4.1Å; K179-I182 HydrophobicContact CB-CD1 4.06Å; K179-I182 HydrophobicContact CB-CG1 4.12Å; K179-I182 HydrophobicContact CD-CD1 3.45Å; K179-I182 VanDerWaalsContact CD-CD1 3.45Å; K179-I182 HydrophobicContact CD-CG1 4.29Å; K179-I182 HydrophobicContact CG-CD1 4.39Å; K179-I182 PolarHBondContact O-N 2.92Å; I182-R184 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 2.98Å; I182-W185 PolarHBondContact O-N 3.27Å; I182-L186 HydrophobicContact CG2-CD1 3.82Å; I182-L186 HydrophobicContact CG2-CG 4.27Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 3.16Å |
| 183 | V | 66.9 | Low | 70.8 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | K179 A180 W185 L186 G187 | K179-V183 PolarHBondContact O-N 3.1Å; A180-V183 PolarHBondContact O-N 3.39Å; V183-W185 PolarHBondContact O-N 3.5Å; V183-L186 PolarHBondContact O-N 3.22Å; V183-G187 WeakPolarHBondContact O-CA 3.32Å; V183-G187 PolarHBondContact O-N 3.28Å |
| 184 | R | 68.8 | Low | 71 | Confident | 159 Ų | 159 | 81.4 Ų | 81.4 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 175.1 | -175.8 | 174.5 | 69.1 | 167.8 | 2.4 | 112.6 | A180 I182 G187 G188 | A180-R184 WeakPolarHBondContact O-CB 3.2Å; A180-R184 PolarHBondContact O-N 2.87Å; I182-R184 VanDerWaalsContact C-N 3.31Å; I182-R184 PolarHBondContact O-N 2.98Å; R184-G187 PolarHBondContact O-N 3.5Å; R184-G188 PolarHBondContact O-N 3.11Å |
| 185 | W | 70.3 | Confident | 70.6 | Confident | 160 Ų | 160 | 79.3 Ų | 79.3 | 61% | 0.606 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.1 | -48.9 | 177.9 | 177.9 | 80 | 0 | 0 | 0 | 111.9 | S181 I182 V183 G187 G188 M189 | S181-W185 VanDerWaalsContact O-CB 3.26Å; S181-W185 WeakPolarHBondContact O-CB 3.36Å; S181-W185 PolarHBondContact O-N 3.04Å; I182-W185 PolarHBondContact O-N 3.27Å; V183-W185 PolarHBondContact O-N 3.5Å; W185-G187 PolarHBondContact O-N 2.8Å; W185-G188 PolarHBondContact O-N 3.19Å; W185-M189 HydrophobicContact CH2-CE 3.87Å; W185-M189 HydrophobicContact CH2-SD 4.31Å; W185-M189 HydrophobicContact CZ2-CE 3.37Å; W185-M189 HydrophobicContact CZ2-SD 4.38Å; W185-M189 PolarHBondContact O-N 2.6Å; W185-M189 VanDerWaalsContact O-N 3.17Å |
| 186 | L | 68.7 | Low | 70 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 39% | 0.387 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 172.6 | -73.1 | 172.8 | 0 | 0 | 0 | 110.6 | I182 V183 M189 L190 | I182-L186 HydrophobicContact CG2-CD1 3.82Å; I182-L186 HydrophobicContact CG2-CG 4.27Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 3.16Å; V183-L186 PolarHBondContact O-N 3.22Å; L186-M189 PolarHBondContact O-N 3.18Å; L186-L190 HydrophobicContact CB-CD1 4.41Å; L186-L190 HydrophobicContact CD2-CD1 4.25Å; L186-L190 VanDerWaalsContact O-CB 3.27Å; L186-L190 WeakPolarHBondContact O-CB 3.18Å; L186-L190 WeakPolarHBondContact O-CG 3.44Å; L186-L190 PolarHBondContact O-N 3.19Å |
| 187 | G | 70.3 | Confident | 69.7 | Low | 6 Ų | 6 | 81.1 Ų | 81.1 | 6% | 0.062 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V183 R184 W185 M189 C191 | V183-G187 WeakPolarHBondContact O-CA 3.32Å; V183-G187 PolarHBondContact O-N 3.28Å; R184-G187 PolarHBondContact O-N 3.5Å; W185-G187 PolarHBondContact O-N 2.8Å; G187-M189 PolarHBondContact O-N 3.36Å; G187-C191 WeakPolarHBondContact CA-SG 3.38Å; G187-C191 WeakPolarHBondContact O-CA 3.34Å; G187-C191 WeakPolarHBondContact O-CB 3.48Å; G187-C191 PolarHBondContact O-N 2.91Å; G187-C191 PolarHBondContact O-SG 3.37Å |
| 188 | G | 72.9 | Confident | 69.8 | Low | 44 Ų | 44 | 80 Ų | 80 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -25.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | R184 W185 V192 | R184-G188 PolarHBondContact O-N 3.11Å; W185-G188 PolarHBondContact O-N 3.19Å; G188-V192 VanDerWaalsContact O-CG2 3.27Å; G188-V192 WeakPolarHBondContact O-CG2 3.34Å |
| 189 | M | 72.9 | Confident | 70.4 | Confident | 104 Ų | 104 | 76.7 Ų | 76.7 | 51% | 0.512 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -90.5 | -47.4 | 179.1 | -174.3 | 178.7 | -70 | 0 | 0 | 112.7 | W185 L186 G187 V192 | W185-M189 HydrophobicContact CH2-CE 3.87Å; W185-M189 HydrophobicContact CH2-SD 4.31Å; W185-M189 HydrophobicContact CZ2-CE 3.37Å; W185-M189 HydrophobicContact CZ2-SD 4.38Å; W185-M189 PolarHBondContact O-N 2.6Å; W185-M189 VanDerWaalsContact O-N 3.17Å; L186-M189 PolarHBondContact O-N 3.18Å; G187-M189 PolarHBondContact O-N 3.36Å; M189-V192 WeakPolarHBondContact O-CG2 3.44Å |
| 190 | L | 75.3 | Confident | 70.9 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 34% | 0.335 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -87.2 | -31.4 | -172.9 | -62.9 | 174.8 | 0 | 0 | 0 | 112 | L186 V192 T195 A196 L198 | L186-L190 HydrophobicContact CB-CD1 4.41Å; L186-L190 HydrophobicContact CD2-CD1 4.25Å; L186-L190 VanDerWaalsContact O-CB 3.27Å; L186-L190 WeakPolarHBondContact O-CB 3.18Å; L186-L190 WeakPolarHBondContact O-CG 3.44Å; L186-L190 PolarHBondContact O-N 3.19Å; L190-V192 VanDerWaalsContact C-N 3.29Å; L190-V192 PolarHBondContact O-N 2.81Å; L190-T195 CarbonylContact O-C 3.59Å; L190-T195 WeakPolarHBondContact O-CB 3.15Å; L190-T195 PolarHBondContact O-OG1 3.11Å; L190-A196 PolarHBondContact O-N 2.7Å; L190-L198 HydrophobicContact CD2-CD1 4.29Å |
| 191 | C | 72 | Confident | 71.3 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -93.2 | 22 | -170.3 | -42.3 | 0 | 0 | 0 | 0 | 114.1 | G187 C199 L223 | G187-C191 WeakPolarHBondContact CA-SG 3.38Å; G187-C191 WeakPolarHBondContact O-CA 3.34Å; G187-C191 WeakPolarHBondContact O-CB 3.48Å; G187-C191 PolarHBondContact O-N 2.91Å; G187-C191 PolarHBondContact O-SG 3.37Å; C191-C199 WeakPolarHBondContact CA-SG 3.42Å; C191-C199 HydrophobicContact CB-CB 3.57Å; C191-C199 WeakPolarHBondContact CB-SG 3.49Å; C191-C199 PolarHBondContact N-SG 3.27Å; C191-C199 WeakPolarHBondContact SG-CB 3.29Å; C191-C199 CovalentContact SG-SG 2Å; C191-C199 PolarHBondContact SG-SG 3.22Å; C191-L223 HydrophobicContact CB-CD1 3.79Å; C191-L223 WeakPolarHBondContact SG-CD1 3.34Å |
| 192 | V | 74.6 | Confident | 71.5 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 38% | 0.376 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -123.7 | 150.7 | 179.7 | -70.8 | 0 | 0 | 0 | 0 | 110.9 | G188 M189 L190 R194 T195 P220 | G188-V192 VanDerWaalsContact O-CG2 3.27Å; G188-V192 WeakPolarHBondContact O-CG2 3.34Å; M189-V192 WeakPolarHBondContact O-CG2 3.44Å; L190-V192 VanDerWaalsContact C-N 3.29Å; L190-V192 PolarHBondContact O-N 2.81Å; V192-R194 PolarHBondContact O-N 3.32Å; V192-T195 PolarHBondContact O-N 2.91Å; V192-T195 PolarHBondContact O-OG1 3.34Å; V192-T195 VanDerWaalsContact O-OG1 3.11Å; V192-P220 HydrophobicContact CG1-CB 4.23Å; V192-P220 HydrophobicContact CG1-CG 3.44Å; V192-P220 VanDerWaalsContact CG1-CG 3.44Å |
| 193 | G | 78.1 | Confident | 71.7 | Confident | 73 Ų | 73 | 72.3 Ų | 72.3 | 75% | 0.753 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | 57.9 | -131.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T195 A196 | G193-T195 VanDerWaalsContact C-N 3.27Å; G193-T195 PolarHBondContact O-N 3.39Å; G193-A196 PolarHBondContact O-N 2.8Å |
| 194 | R | 76.5 | Confident | 71.7 | Confident | 240 Ų | 240 | 73.8 Ų | 73.8 | 91% | 0.906 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -72.5 | -14.9 | -173.4 | -68.5 | -173 | 178 | -173.6 | -0.6 | 114.5 | V192 F197 | V192-R194 PolarHBondContact O-N 3.32Å; R194-F197 VanDerWaalsContact O-CD1 3.24Å; R194-F197 WeakPolarHBondContact O-CD1 3.5Å; R194-F197 WeakPolarHBondContact O-CE1 3.4Å |
| 195 | T | 77.1 | Confident | 71.5 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -98.9 | -2.6 | -178.2 | 49 | 0 | 0 | 0 | 0 | 113.2 | L190 V192 G193 F197 L198 | L190-T195 CarbonylContact O-C 3.59Å; L190-T195 WeakPolarHBondContact O-CB 3.15Å; L190-T195 PolarHBondContact O-OG1 3.11Å; V192-T195 PolarHBondContact O-N 2.91Å; V192-T195 PolarHBondContact O-OG1 3.34Å; V192-T195 VanDerWaalsContact O-OG1 3.11Å; G193-T195 VanDerWaalsContact C-N 3.27Å; G193-T195 PolarHBondContact O-N 3.39Å; T195-F197 PolarHBondContact O-N 3.19Å; T195-L198 WeakPolarHBondContact O-CB 3.36Å; T195-L198 PolarHBondContact O-N 3.22Å |
| 196 | A | 73.1 | Confident | 71.4 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -49.4 | -35.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L190 G193 L198 C199 E200 L219 | L190-A196 PolarHBondContact O-N 2.7Å; G193-A196 PolarHBondContact O-N 2.8Å; A196-L198 PolarHBondContact O-N 2.83Å; A196-L198 VanDerWaalsContact O-N 3.1Å; A196-C199 PolarHBondContact O-N 2.91Å; A196-E200 PolarHBondContact O-N 3.38Å; A196-E200 VanDerWaalsContact O-N 3.07Å; A196-L219 HydrophobicContact CB-CD1 4.12Å |
| 197 | F | 73.4 | Confident | 71.4 | Confident | 104 Ų | 104 | 63 Ų | 63 | 46% | 0.456 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.3 | -28.4 | 177.2 | 80.1 | -88.4 | 0 | 0 | 0 | 113.9 | R194 T195 C199 E200 N201 | R194-F197 VanDerWaalsContact O-CD1 3.24Å; R194-F197 WeakPolarHBondContact O-CD1 3.5Å; R194-F197 WeakPolarHBondContact O-CE1 3.4Å; T195-F197 PolarHBondContact O-N 3.19Å; F197-C199 VanDerWaalsContact C-N 3.31Å; F197-C199 PolarHBondContact O-N 3.08Å; F197-E200 WeakPolarHBondContact O-CB 3.47Å; F197-N201 PolarHBondContact O-N 2.96Å; F197-N201 PolarHBondContact O-ND2 3.34Å |
| 198 | L | 71.1 | Confident | 71.3 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 177.8 | -69 | 173.5 | 0 | 0 | 0 | 111.2 | L190 T195 A196 N201 I202 | L190-L198 HydrophobicContact CD2-CD1 4.29Å; T195-L198 WeakPolarHBondContact O-CB 3.36Å; T195-L198 PolarHBondContact O-N 3.22Å; A196-L198 PolarHBondContact O-N 2.83Å; A196-L198 VanDerWaalsContact O-N 3.1Å; L198-N201 PolarHBondContact O-N 3.47Å; L198-I202 WeakPolarHBondContact O-CG1 3.49Å; L198-I202 PolarHBondContact O-N 3.25Å |
| 199 | C | 72 | Confident | 71.1 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -79.9 | -36.9 | -178.4 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | C191 A196 F197 N201 I202 I203 L223 | C191-C199 WeakPolarHBondContact CA-SG 3.42Å; C191-C199 HydrophobicContact CB-CB 3.57Å; C191-C199 WeakPolarHBondContact CB-SG 3.49Å; C191-C199 PolarHBondContact N-SG 3.27Å; C191-C199 WeakPolarHBondContact SG-CB 3.29Å; C191-C199 CovalentContact SG-SG 2Å; C191-C199 PolarHBondContact SG-SG 3.22Å; A196-C199 PolarHBondContact O-N 2.91Å; F197-C199 VanDerWaalsContact C-N 3.31Å; F197-C199 PolarHBondContact O-N 3.08Å; C199-N201 VanDerWaalsContact C-N 3.28Å; C199-N201 PolarHBondContact O-N 3.07Å; C199-I202 PolarHBondContact O-N 2.93Å; C199-I202 VanDerWaalsContact O-N 3.14Å; C199-I203 VanDerWaalsContact O-CG1 3.31Å; C199-I203 WeakPolarHBondContact O-CG1 3.42Å; C199-I203 PolarHBondContact O-N 3.14Å; C199-L223 HydrophobicContact CB-CD1 3.45Å; C199-L223 VanDerWaalsContact CB-CD1 3.45Å |
| 200 | E | 69.8 | Low | 71 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -48.9 | -51.3 | 164.8 | -74.5 | -177.5 | 175.4 | 0 | 0 | 110.7 | A196 F197 I202 I203 L204 Y209 M214 L219 | A196-E200 PolarHBondContact O-N 3.38Å; A196-E200 VanDerWaalsContact O-N 3.07Å; F197-E200 WeakPolarHBondContact O-CB 3.47Å; E200-I202 PolarHBondContact O-N 2.79Å; E200-I203 PolarHBondContact O-N 3.4Å; E200-L204 VanDerWaalsContact O-CB 3.25Å; E200-L204 WeakPolarHBondContact O-CB 3.26Å; E200-L204 PolarHBondContact O-N 2.97Å; E200-Y209 WeakPolarHBondContact CA-OH 3.49Å; E200-Y209 WeakPolarHBondContact CB-OH 3.49Å; E200-Y209 WeakPolarHBondContact CG-OH 3.49Å; E200-Y209 WeakPolarHBondContact O-CE1 3.37Å; E200-Y209 PolarHBondContact O-OH 3.44Å; E200-M214 HydrophobicContact CG-CE 4.1Å; E200-L219 HydrophobicContact CG-CD1 3.48Å; E200-L219 VanDerWaalsContact CG-CD1 3.48Å; E200-L219 HydrophobicContact CG-CD2 4.38Å; E200-L219 WeakPolarHBondContact OE1-CD1 3.16Å |
| 201 | N | 67.1 | Low | 70.8 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 177.2 | -78.4 | -62.9 | 0 | 0 | 0 | 113.4 | F197 L198 C199 L204 L205 | F197-N201 PolarHBondContact O-N 2.96Å; F197-N201 PolarHBondContact O-ND2 3.34Å; L198-N201 PolarHBondContact O-N 3.47Å; C199-N201 VanDerWaalsContact C-N 3.28Å; C199-N201 PolarHBondContact O-N 3.07Å; N201-L204 PolarHBondContact O-N 2.81Å; N201-L205 WeakPolarHBondContact O-CB 3.28Å; N201-L205 WeakPolarHBondContact O-CD1 3.41Å; N201-L205 WeakPolarHBondContact O-CG 2.88Å; N201-L205 PolarHBondContact O-N 2.85Å |
| 202 | I | 67.1 | Low | 71.1 | Confident | 97 Ų | 97 | 67 Ų | 67 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 178.7 | -67.5 | 166.9 | 0 | 0 | 0 | 111.3 | L198 C199 E200 L204 L205 I206 | L198-I202 WeakPolarHBondContact O-CG1 3.49Å; L198-I202 PolarHBondContact O-N 3.25Å; C199-I202 PolarHBondContact O-N 2.93Å; C199-I202 VanDerWaalsContact O-N 3.14Å; E200-I202 PolarHBondContact O-N 2.79Å; I202-L204 VanDerWaalsContact C-N 3.32Å; I202-L205 PolarHBondContact O-N 2.77Å; I202-I206 HydrophobicContact CG2-CD1 4.01Å; I202-I206 WeakPolarHBondContact O-CG1 3.35Å; I202-I206 PolarHBondContact O-N 3.37Å |
| 203 | I | 68.1 | Low | 71.6 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 177.1 | -66.5 | 171.1 | 0 | 0 | 0 | 109.9 | C199 E200 L205 I206 G207 G208 Y209 L219 L223 L316 W320 | C199-I203 VanDerWaalsContact O-CG1 3.31Å; C199-I203 WeakPolarHBondContact O-CG1 3.42Å; C199-I203 PolarHBondContact O-N 3.14Å; E200-I203 PolarHBondContact O-N 3.4Å; I203-L205 VanDerWaalsContact C-N 3.28Å; I203-L205 PolarHBondContact O-N 3Å; I203-I206 PolarHBondContact O-N 3.08Å; I203-G207 PolarHBondContact O-N 3.28Å; I203-G207 VanDerWaalsContact O-N 3.13Å; I203-G208 PolarHBondContact O-N 3.37Å; I203-Y209 HydrophobicContact CB-CD1 4.16Å; I203-Y209 HydrophobicContact CB-CE1 3.9Å; I203-Y209 HydrophobicContact CG2-CD1 3.5Å; I203-Y209 VanDerWaalsContact CG2-CD1 3.5Å; I203-Y209 HydrophobicContact CG2-CE1 3.73Å; I203-Y209 HydrophobicContact CG2-CG 4.42Å; I203-L219 HydrophobicContact CD1-CD2 3.46Å; I203-L219 VanDerWaalsContact CD1-CD2 3.46Å; I203-L223 HydrophobicContact CD1-CD1 4.06Å; I203-L223 HydrophobicContact CD1-CD2 3.94Å; I203-L223 HydrophobicContact CD1-CG 4.09Å; I203-L223 HydrophobicContact CG1-CD2 3.99Å; I203-L316 HydrophobicContact CG2-CD1 3.29Å; I203-W320 HydrophobicContact CD1-CZ3 4.24Å; I203-W320 HydrophobicContact CG2-CZ3 3.77Å |
| 204 | L | 66.6 | Low | 71.9 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 178.7 | -170.8 | 72.5 | 0 | 0 | 0 | 111.3 | E200 N201 I202 G208 Y209 I287 | E200-L204 VanDerWaalsContact O-CB 3.25Å; E200-L204 WeakPolarHBondContact O-CB 3.26Å; E200-L204 PolarHBondContact O-N 2.97Å; N201-L204 PolarHBondContact O-N 2.81Å; I202-L204 VanDerWaalsContact C-N 3.32Å; L204-G208 VanDerWaalsContact O-CA 3.27Å; L204-G208 WeakPolarHBondContact O-CA 3.23Å; L204-G208 PolarHBondContact O-N 3.39Å; L204-G208 VanDerWaalsContact O-N 3.12Å; L204-Y209 HydrophobicContact CB-CD1 4.23Å; L204-Y209 HydrophobicContact CB-CE1 3.78Å; L204-Y209 HydrophobicContact CD1-CD1 4.1Å; L204-Y209 HydrophobicContact CD1-CE1 4.14Å; L204-Y209 WeakPolarHBondContact CD1-O 3.13Å; L204-I287 WeakPolarHBondContact O-CD1 3.14Å |
| 205 | L | 65.2 | Low | 72.4 | Confident | 87 Ų | 87 | 51.6 Ų | 51.6 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.5 | -29.9 | -178.7 | -74.8 | 168 | 0 | 0 | 0 | 113.6 | T153 V154 N201 I202 I203 | T153-L205 PolarHBondContact OG1-O 3.15Å; V154-L205 HydrophobicContact CB-CB 4.13Å; V154-L205 HydrophobicContact CB-CD2 4.12Å; V154-L205 HydrophobicContact CG1-CB 3.98Å; V154-L205 WeakPolarHBondContact CG1-O 3.5Å; V154-L205 HydrophobicContact CG2-CD2 4.31Å; V154-L205 PolarHBondContact N-O 3.44Å; V154-L205 VanDerWaalsContact N-O 3.08Å; N201-L205 WeakPolarHBondContact O-CB 3.28Å; N201-L205 WeakPolarHBondContact O-CD1 3.41Å; N201-L205 WeakPolarHBondContact O-CG 2.88Å; N201-L205 PolarHBondContact O-N 2.85Å; I202-L205 PolarHBondContact O-N 2.77Å; I203-L205 VanDerWaalsContact C-N 3.28Å; I203-L205 PolarHBondContact O-N 3Å |
| 206 | I | 66.9 | Low | 72.7 | Confident | 77 Ų | 77 | 52 Ų | 52 | 40% | 0.395 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -90.3 | -58.9 | -173.9 | -63.9 | 170.7 | 0 | 0 | 0 | 111.2 | T153 I202 I203 | T153-I206 PolarHBondContact OG1-O 2.8Å; I202-I206 HydrophobicContact CG2-CD1 4.01Å; I202-I206 WeakPolarHBondContact O-CG1 3.35Å; I202-I206 PolarHBondContact O-N 3.37Å; I203-I206 PolarHBondContact O-N 3.08Å |
| 207 | G | 68.3 | Low | 73.2 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -30.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I203 I287 H315 | I203-G207 PolarHBondContact O-N 3.28Å; I203-G207 VanDerWaalsContact O-N 3.13Å; G207-I287 WeakPolarHBondContact O-CG1 3.25Å; G207-H315 WeakPolarHBondContact O-CB 3.2Å |
| 208 | G | 69.5 | Low | 73.9 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | trans | 73.6 | 142.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I203 L204 H315 L316 | I203-G208 PolarHBondContact O-N 3.37Å; L204-G208 VanDerWaalsContact O-CA 3.27Å; L204-G208 WeakPolarHBondContact O-CA 3.23Å; L204-G208 PolarHBondContact O-N 3.39Å; L204-G208 VanDerWaalsContact O-N 3.12Å; G208-H315 PolarHBondContact O-N 3.25Å; G208-L316 PolarHBondContact O-N 3.33Å; G208-L316 VanDerWaalsContact O-N 3.15Å | ||
| 209 | Y | 68.6 | Low | 74.5 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 7% | 0.071 | 27% | 0.269 | C | S | . | . | trans | -154.4 | 157.8 | 175 | 68.5 | -82.2 | 0 | 0 | 0 | 108.3 | E200 I203 L204 M214 | E200-Y209 WeakPolarHBondContact CA-OH 3.49Å; E200-Y209 WeakPolarHBondContact CB-OH 3.49Å; E200-Y209 WeakPolarHBondContact CG-OH 3.49Å; E200-Y209 WeakPolarHBondContact O-CE1 3.37Å; E200-Y209 PolarHBondContact O-OH 3.44Å; I203-Y209 HydrophobicContact CB-CD1 4.16Å; I203-Y209 HydrophobicContact CB-CE1 3.9Å; I203-Y209 HydrophobicContact CG2-CD1 3.5Å; I203-Y209 VanDerWaalsContact CG2-CD1 3.5Å; I203-Y209 HydrophobicContact CG2-CE1 3.73Å; I203-Y209 HydrophobicContact CG2-CG 4.42Å; L204-Y209 HydrophobicContact CB-CD1 4.23Å; L204-Y209 HydrophobicContact CB-CE1 3.78Å; L204-Y209 HydrophobicContact CD1-CD1 4.1Å; L204-Y209 HydrophobicContact CD1-CE1 4.14Å; L204-Y209 WeakPolarHBondContact CD1-O 3.13Å; Y209-M214 HydrophobicContact CD2-CB 3.64Å; Y209-M214 HydrophobicContact CD2-CE 3.89Å; Y209-M214 HydrophobicContact CD2-CG 4.29Å; Y209-M214 HydrophobicContact CD2-SD 3.76Å; Y209-M214 HydrophobicContact CE1-CE 4.22Å; Y209-M214 HydrophobicContact CE2-CB 3.86Å; Y209-M214 HydrophobicContact CE2-CE 3.19Å; Y209-M214 HydrophobicContact CE2-CG 4.4Å; Y209-M214 HydrophobicContact CE2-SD 3.72Å; Y209-M214 HydrophobicContact CG-SD 4.21Å; Y209-M214 VanDerWaalsContact CZ-CE 3.4Å | ||
| 210 | D | 71.1 | Confident | 74.9 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | trans | -80.9 | 119.1 | 171.3 | -165.9 | -37.8 | 0 | 0 | 0 | 109.2 | E212 N213 M214 K285 D317 | D210-E212 PolarHBondContact O-N 2.79Å; D210-E212 VanDerWaalsContact O-N 3.15Å; D210-E212 PolarHBondContact OD1-N 3Å; D210-N213 HydrophobicContact CB-CB 3.83Å; D210-N213 PolarHBondContact O-N 2.74Å; D210-M214 PolarHBondContact O-N 3.25Å; D210-K285 IonicContact OD2-NZ 3.63Å; D210-K285 PolarHBondContact OD2-NZ 3.49Å; D210-D317 WeakPolarHBondContact CB-OD2 3.04Å; D210-D317 PolarHBondContact N-OD1 3.18Å; D210-D317 PolarHBondContact N-OD2 2.91Å; D210-D317 VanDerWaalsContact N-OD2 3.17Å | ||
| 211 | S | 70.9 | Confident | 75.7 | Confident | 91 Ų | 91 | 51 Ų | 51 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.1 | -178.5 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | N213 | S211-N213 VanDerWaalsContact C-N 3.33Š|
| 212 | E | 78.9 | Confident | 76.6 | Confident | 175 Ų | 175 | 47.3 Ų | 47.3 | 82% | 0.818 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -19.4 | 176.1 | -59.9 | -169.1 | 167.4 | 0 | 0 | 112.4 | D210 | D210-E212 PolarHBondContact O-N 2.79Å; D210-E212 VanDerWaalsContact O-N 3.15Å; D210-E212 PolarHBondContact OD1-N 3Å |
| 213 | N | 84.5 | Confident | 77.3 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -1.4 | -175.9 | -160.3 | 22.2 | 0 | 0 | 0 | 113.7 | D210 S211 G321 L322 N323 | D210-N213 HydrophobicContact CB-CB 3.83Å; D210-N213 PolarHBondContact O-N 2.74Å; S211-N213 VanDerWaalsContact C-N 3.33Å; N213-G321 CarbonylContact O-C 3.6Å; N213-G321 WeakPolarHBondContact O-CA 3.47Å; N213-L322 WeakPolarHBondContact O-CB 3.49Å; N213-L322 WeakPolarHBondContact O-CG 3.17Å; N213-L322 PolarHBondContact O-N 3.36Å; N213-L322 PolarHBondContact OD1-N 3.47Å; N213-L322 VanDerWaalsContact OD1-N 3.11Å; N213-N323 VanDerWaalsContact CG-OD1 3.28Å; N213-N323 PolarHBondContact ND2-OD1 2.89Å; N213-N323 PolarHBondContact OD1-N 2.99Å; N213-N323 PolarHBondContact OD1-OD1 2.86Å |
| 214 | M | 84.2 | Confident | 77.9 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -104.8 | 135.6 | 178.7 | -172.4 | 177.9 | 69.9 | 0 | 0 | 111.9 | E200 Y209 D210 S216 L219 Y222 | E200-M214 HydrophobicContact CG-CE 4.1Å; Y209-M214 HydrophobicContact CD2-CB 3.64Å; Y209-M214 HydrophobicContact CD2-CE 3.89Å; Y209-M214 HydrophobicContact CD2-CG 4.29Å; Y209-M214 HydrophobicContact CD2-SD 3.76Å; Y209-M214 HydrophobicContact CE1-CE 4.22Å; Y209-M214 HydrophobicContact CE2-CB 3.86Å; Y209-M214 HydrophobicContact CE2-CE 3.19Å; Y209-M214 HydrophobicContact CE2-CG 4.4Å; Y209-M214 HydrophobicContact CE2-SD 3.72Å; Y209-M214 HydrophobicContact CG-SD 4.21Å; Y209-M214 VanDerWaalsContact CZ-CE 3.4Å; D210-M214 PolarHBondContact O-N 3.25Å; M214-S216 PolarHBondContact O-N 3.11Å; M214-L219 HydrophobicContact CE-CD1 4.15Å; M214-L219 HydrophobicContact CE-CD2 3.38Å; M214-L219 HydrophobicContact CE-CG 3.85Å; M214-L219 HydrophobicContact SD-CD2 3.96Å; M214-Y222 HydrophobicContact CG-CD2 4.47Å; M214-Y222 HydrophobicContact CG-CE2 3.77Å; M214-Y222 HydrophobicContact SD-CD2 4.18Å; M214-Y222 HydrophobicContact SD-CE2 4.06Å |
| 215 | N | 87.1 | Confident | 78.9 | Confident | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | trans | -72.8 | 92.6 | 169.9 | -165 | -24.2 | 0 | 0 | 0 | 111 | T217 R218 L322 | N215-T217 PolarHBondContact O-N 3.45Å; N215-T217 PolarHBondContact OD1-N 3.27Å; N215-T217 PolarHBondContact OD1-OG1 3.38Å; N215-R218 HydrophobicContact CB-CB 4.2Å; N215-R218 HydrophobicContact CB-CG 4.1Å; N215-R218 WeakPolarHBondContact O-CB 3.3Å; N215-R218 PolarHBondContact O-N 3.23Å; N215-L322 HydrophobicContact CB-CD1 4.43Å; N215-L322 HydrophobicContact CB-CD2 3.86Å; N215-L322 HydrophobicContact CB-CG 4.33Å | ||
| 216 | S | 82.6 | Confident | 79.9 | Confident | 60 Ų | 60 | 41.5 Ų | 41.5 | 42% | 0.42 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -57 | -31.4 | -179.9 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | M214 R218 L219 | M214-S216 PolarHBondContact O-N 3.11Å; S216-R218 PolarHBondContact O-N 3.2Å; S216-L219 VanDerWaalsContact O-CB 3.31Å; S216-L219 WeakPolarHBondContact O-CB 3.33Å; S216-L219 WeakPolarHBondContact O-CD1 3.21Å; S216-L219 WeakPolarHBondContact O-CG 3.4Å; S216-L219 PolarHBondContact O-N 3.21Å; S216-L219 VanDerWaalsContact O-N 3.15Å |
| 217 | T | 84.8 | Confident | 80.8 | Confident | 111 Ų | 111 | 39.1 Ų | 39.1 | 68% | 0.681 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -67.1 | -17.6 | 176.3 | 72.9 | 0 | 0 | 0 | 0 | 113.3 | N215 | N215-T217 PolarHBondContact O-N 3.45Å; N215-T217 PolarHBondContact OD1-N 3.27Å; N215-T217 PolarHBondContact OD1-OG1 3.38Å |
| 218 | R | 87.5 | Confident | 81.8 | Confident | 28 Ų | 28 | 39 Ų | 39 | 11% | 0.106 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -97.2 | -0.8 | 176.7 | -64.7 | -166.5 | 71 | 70.3 | 9.5 | 113.9 | I54 N215 S216 P220 V221 Y222 | I54-R218 PolarHBondContact O-NE 3.08Å; I54-R218 PolarHBondContact O-NH2 3.24Å; N215-R218 HydrophobicContact CB-CB 4.2Å; N215-R218 HydrophobicContact CB-CG 4.1Å; N215-R218 WeakPolarHBondContact O-CB 3.3Å; N215-R218 PolarHBondContact O-N 3.23Å; S216-R218 PolarHBondContact O-N 3.2Å; R218-P220 VanDerWaalsContact C-N 3.28Å; R218-P220 VanDerWaalsContact O-N 3.16Å; R218-V221 WeakPolarHBondContact O-CA 3.35Å; R218-V221 VanDerWaalsContact O-CB 3.29Å; R218-V221 WeakPolarHBondContact O-CB 3.5Å; R218-V221 PolarHBondContact O-N 2.91Å; R218-Y222 HydrophobicContact CB-CD1 4.46Å; R218-Y222 HydrophobicContact CB-CE1 3.74Å; R218-Y222 HydrophobicContact CB-CE2 3.95Å; R218-Y222 VanDerWaalsContact CB-CZ 3.45Å; R218-Y222 WeakPolarHBondContact CB-OH 3.25Å; R218-Y222 PolarHBondContact O-N 3.11Å; R218-Y222 VanDerWaalsContact O-N 3.09Å |
| 219 | L | 83 | Confident | 82.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -46.1 | -43.5 | 174.4 | -82.1 | 167.8 | 0 | 0 | 0 | 114.3 | A196 E200 I203 M214 S216 V221 Y222 L223 | A196-L219 HydrophobicContact CB-CD1 4.12Å; E200-L219 HydrophobicContact CG-CD1 3.48Å; E200-L219 VanDerWaalsContact CG-CD1 3.48Å; E200-L219 HydrophobicContact CG-CD2 4.38Å; E200-L219 WeakPolarHBondContact OE1-CD1 3.16Å; I203-L219 HydrophobicContact CD1-CD2 3.46Å; I203-L219 VanDerWaalsContact CD1-CD2 3.46Å; M214-L219 HydrophobicContact CE-CD1 4.15Å; M214-L219 HydrophobicContact CE-CD2 3.38Å; M214-L219 HydrophobicContact CE-CG 3.85Å; M214-L219 HydrophobicContact SD-CD2 3.96Å; S216-L219 VanDerWaalsContact O-CB 3.31Å; S216-L219 WeakPolarHBondContact O-CB 3.33Å; S216-L219 WeakPolarHBondContact O-CD1 3.21Å; S216-L219 WeakPolarHBondContact O-CG 3.4Å; S216-L219 PolarHBondContact O-N 3.21Å; S216-L219 VanDerWaalsContact O-N 3.15Å; L219-V221 PolarHBondContact O-N 3.46Å; L219-Y222 HydrophobicContact CD2-CD2 4.32Å; L219-Y222 PolarHBondContact O-N 2.85Å; L219-L223 PolarHBondContact O-N 3.42Å |
| 220 | P | 80.7 | Confident | 83.7 | Confident | 43 Ų | 43 | 38.2 Ų | 38.2 | 28% | 0.279 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.3 | -28.9 | 177.3 | -22.6 | 34.6 | 0 | 0 | 0 | 113.3 | V192 R218 G224 | V192-P220 HydrophobicContact CG1-CB 4.23Å; V192-P220 HydrophobicContact CG1-CG 3.44Å; V192-P220 VanDerWaalsContact CG1-CG 3.44Å; R218-P220 VanDerWaalsContact C-N 3.28Å; R218-P220 VanDerWaalsContact O-N 3.16Å; P220-G224 WeakPolarHBondContact O-CA 3.45Å; P220-G224 PolarHBondContact O-N 3.01Å |
| 221 | V | 86.5 | Confident | 84.7 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.6 | -48.9 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | I54 R218 L219 L223 G224 H225 | I54-V221 HydrophobicContact CD1-CG1 4.47Å; I54-V221 HydrophobicContact CG1-CG1 3.89Å; R218-V221 WeakPolarHBondContact O-CA 3.35Å; R218-V221 VanDerWaalsContact O-CB 3.29Å; R218-V221 WeakPolarHBondContact O-CB 3.5Å; R218-V221 PolarHBondContact O-N 2.91Å; L219-V221 PolarHBondContact O-N 3.46Å; V221-L223 VanDerWaalsContact C-N 3.32Å; V221-L223 PolarHBondContact O-N 3.35Å; V221-G224 PolarHBondContact O-N 2.69Å; V221-G224 VanDerWaalsContact O-N 3.16Å; V221-H225 PolarHBondContact O-CD2 3.03Å; V221-H225 VanDerWaalsContact O-CD2 3.25Å; V221-H225 PolarHBondContact O-N 3.16Å |
| 222 | Y | 86.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.7 | -47.9 | -179.7 | -51.8 | -28.6 | 0 | 0 | 0 | 111.4 | I54 N55 M214 R218 L219 G224 H225 N226 W320 | I54-Y222 HydrophobicContact CD1-CD1 3.71Å; I54-Y222 HydrophobicContact CG1-CD1 3.89Å; I54-Y222 HydrophobicContact CG1-CE1 4.27Å; I54-Y222 HydrophobicContact CG2-CD1 4.21Å; I54-Y222 HydrophobicContact CG2-CE1 4.03Å; N55-Y222 WeakPolarHBondContact OD1-CE1 3.42Å; N55-Y222 PolarHBondContact OD1-OH 3.05Å; M214-Y222 HydrophobicContact CG-CD2 4.47Å; M214-Y222 HydrophobicContact CG-CE2 3.77Å; M214-Y222 HydrophobicContact SD-CD2 4.18Å; M214-Y222 HydrophobicContact SD-CE2 4.06Å; R218-Y222 HydrophobicContact CB-CD1 4.46Å; R218-Y222 HydrophobicContact CB-CE1 3.74Å; R218-Y222 HydrophobicContact CB-CE2 3.95Å; R218-Y222 VanDerWaalsContact CB-CZ 3.45Å; R218-Y222 WeakPolarHBondContact CB-OH 3.25Å; R218-Y222 PolarHBondContact O-N 3.11Å; R218-Y222 VanDerWaalsContact O-N 3.09Å; L219-Y222 HydrophobicContact CD2-CD2 4.32Å; L219-Y222 PolarHBondContact O-N 2.85Å; Y222-G224 VanDerWaalsContact C-N 3.34Å; Y222-H225 PolarHBondContact O-N 2.97Å; Y222-N226 VanDerWaalsContact O-CB 3.31Å; Y222-N226 WeakPolarHBondContact O-CB 3.47Å; Y222-N226 PolarHBondContact O-N 2.98Å; Y222-N226 PolarHBondContact O-ND2 3.16Å; Y222-W320 HydrophobicContact CD2-CD2 4.5Å; Y222-W320 HydrophobicContact CD2-CE3 4.23Å; Y222-W320 HydrophobicContact CG-CD2 4.36Å; Y222-W320 HydrophobicContact CG-CE3 4.4Å |
| 223 | L | 80.8 | Confident | 85.9 | Confident | 25 Ų | 25 | 26.4 Ų | 26.4 | 13% | 0.131 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -82 | -14.7 | -178.5 | -64.1 | 167.4 | 0 | 0 | 0 | 113.5 | C191 C199 I203 L219 V221 H225 N226 | C191-L223 HydrophobicContact CB-CD1 3.79Å; C191-L223 WeakPolarHBondContact SG-CD1 3.34Å; C199-L223 HydrophobicContact CB-CD1 3.45Å; C199-L223 VanDerWaalsContact CB-CD1 3.45Å; I203-L223 HydrophobicContact CD1-CD1 4.06Å; I203-L223 HydrophobicContact CD1-CD2 3.94Å; I203-L223 HydrophobicContact CD1-CG 4.09Å; I203-L223 HydrophobicContact CG1-CD2 3.99Å; L219-L223 PolarHBondContact O-N 3.42Å; V221-L223 VanDerWaalsContact C-N 3.32Å; V221-L223 PolarHBondContact O-N 3.35Å; L223-H225 VanDerWaalsContact C-N 3.26Å; L223-N226 CarbonylContact C-O 3.52Å; L223-N226 VanDerWaalsContact O-O 3.09Å |
| 224 | G | 82.1 | Confident | 86.2 | Confident | 30 Ų | 30 | 25.9 Ų | 25.9 | 31% | 0.309 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -71.9 | -23.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P220 V221 Y222 | P220-G224 WeakPolarHBondContact O-CA 3.45Å; P220-G224 PolarHBondContact O-N 3.01Å; V221-G224 PolarHBondContact O-N 2.69Å; V221-G224 VanDerWaalsContact O-N 3.16Å; Y222-G224 VanDerWaalsContact C-N 3.34Å |
| 225 | H | 87.7 | Confident | 86.4 | Confident | 77 Ų | 77 | 26.2 Ų | 26.2 | 36% | 0.356 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -110.4 | -19.6 | -179.3 | -71.6 | -76 | 0 | 0 | 0 | 113.9 | V50 I54 V221 Y222 L223 | V50-H225 HydrophobicContact CG1-CB 4.07Å; I54-H225 HydrophobicContact CD1-CB 4.35Å; V221-H225 PolarHBondContact O-CD2 3.03Å; V221-H225 VanDerWaalsContact O-CD2 3.25Å; V221-H225 PolarHBondContact O-N 3.16Å; Y222-H225 PolarHBondContact O-N 2.97Å; L223-H225 VanDerWaalsContact C-N 3.26Å |
| 226 | N | 85.4 | Confident | 86.4 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | trans | -120.5 | 137.6 | -179.5 | -66.7 | -79 | 0 | 0 | 0 | 111.6 | Q47 D51 Y222 L223 | Q47-N226 WeakPolarHBondContact CA-OD1 3.34Å; D51-N226 PolarHBondContact OD1-ND2 3.23Å; D51-N226 PolarHBondContact OD2-OD1 3.09Å; Y222-N226 VanDerWaalsContact O-CB 3.31Å; Y222-N226 WeakPolarHBondContact O-CB 3.47Å; Y222-N226 PolarHBondContact O-N 2.98Å; Y222-N226 PolarHBondContact O-ND2 3.16Å; L223-N226 CarbonylContact C-O 3.52Å; L223-N226 VanDerWaalsContact O-O 3.09Å | ||
| 227 | P | 85.7 | Confident | 86.8 | Confident | 26 Ų | 26 | 22 Ų | 22 | 17% | 0.169 | 13% | 0.131 | C | C | . | . | cis | -76.1 | 142.7 | -0.6 | 31.8 | -33.6 | 0 | 0 | 0 | 112.3 | L46 M177 | L46-P227 HydrophobicContact CB-CB 3.85Å; L46-P227 HydrophobicContact CD1-CB 4.41Å; L46-P227 HydrophobicContact CD2-CB 3.99Å; L46-P227 HydrophobicContact CG-CB 4.31Å; L46-P227 CarbonylContact O-C 3.54Å; L46-P227 VanDerWaalsContact O-CA 3.31Å; L46-P227 WeakPolarHBondContact O-CA 3.45Å; M177-P227 HydrophobicContact SD-CG 4.1Å | ||
| 228 | A | 89 | Confident | 87.1 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | trans | -86.9 | -4.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L46 Q47 N80 T81 | L46-A228 PolarHBondContact O-N 3.16Å; Q47-A228 WeakPolarHBondContact O-CB 3.24Å; N80-A228 CarbonylContact C-O 3.59Å; N80-A228 VanDerWaalsContact CA-O 3.27Å; N80-A228 WeakPolarHBondContact CA-O 3.44Å; N80-A228 HydrophobicContact CB-CB 4.29Å; T81-A228 PolarHBondContact N-O 3.39Å; T81-A228 WeakPolarHBondContact OG1-CA 3.27Å; T81-A228 PolarHBondContact OG1-O 2.57Å | ||
| 229 | G | 87.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 15.9 Ų | 15.9 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | trans | 99.9 | 151.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 230 | T | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 165.1 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | L45 L46 F176 N234 I235 | L45-T230 HydrophobicContact CD1-CG2 4.31Å; L46-T230 HydrophobicContact CD2-CG2 3.35Å; L46-T230 HydrophobicContact CG-CG2 4.17Å; F176-T230 HydrophobicContact CB-CG2 3.96Å; F176-T230 HydrophobicContact CD1-CG2 4.45Å; F176-T230 PolarHBondContact N-O 3.03Å; T230-N234 WeakPolarHBondContact OG1-CB 3.42Å; T230-N234 PolarHBondContact OG1-ND2 3.47Å; T230-N234 VanDerWaalsContact OG1-ND2 3.08Å; T230-I235 HydrophobicContact CG2-CD1 3.84Å; T230-I235 HydrophobicContact CG2-CG1 3.91Å |
| 231 | S | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 146.4 | 167.5 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | W97 F99 L233 N234 I235 | W97-S231 WeakPolarHBondContact O-CB 3.24Å; F99-S231 WeakPolarHBondContact CD2-OG 3.33Å; F99-S231 WeakPolarHBondContact CE2-OG 3.27Å; F99-S231 WeakPolarHBondContact O-CB 3.34Å; F99-S231 PolarHBondContact O-OG 3.39Å; S231-L233 PolarHBondContact O-N 2.92Å; S231-N234 WeakPolarHBondContact O-CB 3.41Å; S231-N234 PolarHBondContact O-N 3.41Å; S231-N234 VanDerWaalsContact O-N 3.15Å; S231-N234 VanDerWaalsContact OG-CB 3.25Å; S231-N234 WeakPolarHBondContact OG-CB 3.48Å; S231-N234 PolarHBondContact OG-N 3.34Å; S231-I235 PolarHBondContact O-N 3.09Å |
| 232 | T | 86.4 | Confident | 88.1 | Confident | 7 Ų | 7 | 12.4 Ų | 12.4 | 4% | 0.043 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.7 | -31.1 | 172.5 | -44.7 | 0 | 0 | 0 | 0 | 111.3 | L169 G173 Y174 E175 F176 N234 I235 A236 | L169-T232 HydrophobicContact CB-CG2 3.31Å; L169-T232 HydrophobicContact CD1-CG2 3.65Å; L169-T232 HydrophobicContact CD2-CG2 2.99Å; L169-T232 HydrophobicContact CG-CG2 3.35Å; G173-T232 WeakPolarHBondContact O-CB 3.12Å; G173-T232 WeakPolarHBondContact O-CG2 3.18Å; G173-T232 PolarHBondContact O-OG1 2.81Å; Y174-T232 PolarHBondContact O-N 3.49Å; Y174-T232 PolarHBondContact O-OG1 3.49Å; E175-T232 VanDerWaalsContact C-OG1 3.22Å; F176-T232 HydrophobicContact CD2-CG2 4.33Å; F176-T232 PolarHBondContact N-OG1 3.08Å; T232-N234 VanDerWaalsContact C-N 3.32Å; T232-N234 PolarHBondContact O-N 2.86Å; T232-I235 PolarHBondContact O-N 3.43Å; T232-A236 PolarHBondContact O-N 3.15Å |
| 233 | L | 89.1 | Confident | 88.2 | Confident | 31 Ų | 31 | 14.7 Ų | 14.7 | 16% | 0.162 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.3 | -36.3 | 173.6 | -162.7 | 74.1 | 0 | 0 | 0 | 112.5 | T100 S231 A236 H237 Y250 Y252 | T100-L233 HydrophobicContact CG2-CB 4.25Å; T100-L233 HydrophobicContact CG2-CD2 3.77Å; T100-L233 HydrophobicContact CG2-CG 3.69Å; S231-L233 PolarHBondContact O-N 2.92Å; L233-A236 WeakPolarHBondContact O-CB 3.29Å; L233-A236 PolarHBondContact O-N 2.78Å; L233-H237 PolarHBondContact O-N 3.08Å; L233-Y250 HydrophobicContact CD1-CE1 3.61Å; L233-Y250 HydrophobicContact CD1-CE2 4.15Å; L233-Y250 WeakPolarHBondContact CD1-OH 3.35Å; L233-Y250 HydrophobicContact CD2-CE1 4.41Å; L233-Y250 HydrophobicContact CG-CE1 4.09Å; L233-Y250 HydrophobicContact CG-CE2 4.31Å; L233-Y252 HydrophobicContact CD2-CE1 4.41Å |
| 234 | N | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 176 | -167.4 | 40.9 | 0 | 0 | 0 | 111.5 | L45 F101 Q132 T230 S231 T232 A236 H237 F238 | L45-N234 WeakPolarHBondContact CD1-ND2 3.36Å; F101-N234 VanDerWaalsContact CD1-OD1 3.31Å; F101-N234 WeakPolarHBondContact CD1-OD1 3.41Å; F101-N234 PolarHBondContact N-OD1 2.72Å; Q132-N234 PolarHBondContact NE2-ND2 2.66Å; Q132-N234 PolarHBondContact OE1-ND2 2.94Å; Q132-N234 VanDerWaalsContact OE1-ND2 3.13Å; T230-N234 WeakPolarHBondContact OG1-CB 3.42Å; T230-N234 PolarHBondContact OG1-ND2 3.47Å; T230-N234 VanDerWaalsContact OG1-ND2 3.08Å; S231-N234 WeakPolarHBondContact O-CB 3.41Å; S231-N234 PolarHBondContact O-N 3.41Å; S231-N234 VanDerWaalsContact O-N 3.15Å; S231-N234 VanDerWaalsContact OG-CB 3.25Å; S231-N234 WeakPolarHBondContact OG-CB 3.48Å; S231-N234 PolarHBondContact OG-N 3.34Å; T232-N234 VanDerWaalsContact C-N 3.32Å; T232-N234 PolarHBondContact O-N 2.86Å; N234-A236 VanDerWaalsContact C-N 3.32Å; N234-A236 PolarHBondContact O-N 3.38Å; N234-H237 WeakPolarHBondContact O-CB 3.37Å; N234-H237 PolarHBondContact O-N 3.13Å; N234-H237 VanDerWaalsContact O-N 3.13Å; N234-F238 WeakPolarHBondContact O-CD2 3.4Å; N234-F238 PolarHBondContact O-N 3.13Å; N234-F238 VanDerWaalsContact O-N 3.09Å |
| 235 | I | 87.2 | Confident | 89.2 | Confident | 18 Ų | 18 | 16.1 Ų | 16.1 | 9% | 0.092 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 174.3 | -58.9 | -62.4 | 0 | 0 | 0 | 111.1 | L45 L46 F176 T230 S231 T232 H237 F238 G239 | L45-I235 HydrophobicContact CD1-CD1 3.89Å; L45-I235 HydrophobicContact CD2-CD1 4.18Å; L45-I235 HydrophobicContact CG-CD1 4.42Å; L46-I235 HydrophobicContact CD1-CD1 4.47Å; F176-I235 HydrophobicContact CB-CG1 4.02Å; F176-I235 HydrophobicContact CD1-CD1 4.11Å; F176-I235 HydrophobicContact CD1-CG1 3.92Å; F176-I235 HydrophobicContact CD2-CB 4.45Å; F176-I235 HydrophobicContact CD2-CG1 3.84Å; F176-I235 HydrophobicContact CE1-CD1 4.2Å; F176-I235 HydrophobicContact CE1-CG1 4.26Å; F176-I235 HydrophobicContact CE2-CG1 4.21Å; F176-I235 HydrophobicContact CE2-CG2 4.24Å; F176-I235 HydrophobicContact CG-CD1 4.35Å; F176-I235 HydrophobicContact CG-CG1 3.66Å; F176-I235 HydrophobicContact CZ-CG1 4.38Å; T230-I235 HydrophobicContact CG2-CD1 3.84Å; T230-I235 HydrophobicContact CG2-CG1 3.91Å; S231-I235 PolarHBondContact O-N 3.09Å; T232-I235 PolarHBondContact O-N 3.43Å; I235-H237 PolarHBondContact O-N 3.34Å; I235-F238 PolarHBondContact O-N 3.01Å; I235-G239 PolarHBondContact O-N 2.93Å |
| 236 | A | 87 | Confident | 89.5 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I165 N166 L169 T232 L233 N234 G239 Q240 Y250 | I165-A236 HydrophobicContact CG2-CB 3.54Å; N166-A236 WeakPolarHBondContact OD1-CB 3.44Å; L169-A236 HydrophobicContact CD1-CB 3.82Å; T232-A236 PolarHBondContact O-N 3.15Å; L233-A236 WeakPolarHBondContact O-CB 3.29Å; L233-A236 PolarHBondContact O-N 2.78Å; N234-A236 VanDerWaalsContact C-N 3.32Å; N234-A236 PolarHBondContact O-N 3.38Å; A236-G239 WeakPolarHBondContact O-CA 3.32Å; A236-G239 PolarHBondContact O-N 3.25Å; A236-G239 VanDerWaalsContact O-N 3.15Å; A236-Q240 WeakPolarHBondContact O-CG 3.35Å; A236-Q240 PolarHBondContact O-N 2.9Å; A236-Y250 HydrophobicContact CB-CE2 3.97Å |
| 237 | H | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 177.7 | -159.8 | 176.2 | 0 | 0 | 0 | 111.9 | T100 F101 D102 L233 N234 I235 G239 Q240 L241 Q248 K249 Y250 | T100-H237 HydrophobicContact CG2-CB 3.99Å; T100-H237 PolarHBondContact OG1-ND1 2.9Å; T100-H237 VanDerWaalsContact OG1-ND1 3.16Å; F101-H237 HydrophobicContact CD1-CB 4.49Å; F101-H237 AromaticContact CD1-ND1 3.84Å; F101-H237 HydrophobicContact CE1-CB 3.87Å; F101-H237 AromaticContact CE1-CD2 4Å; F101-H237 AromaticContact CE1-CE1 3.7Å; F101-H237 AromaticContact CE1-CG 3.43Å; F101-H237 VanDerWaalsContact CE1-CG 3.43Å; F101-H237 AromaticContact CE1-ND1 3.25Å; F101-H237 WeakPolarHBondContact CE1-ND1 3.48Å; F101-H237 AromaticContact CE2-CE1 3.22Å; F101-H237 WeakPolarHBondContact CE2-CE1 3.5Å; F101-H237 AromaticContact CE2-ND1 3.51Å; F101-H237 AromaticContact CE2-NE2 3.96Å; F101-H237 HydrophobicContact CZ-CB 4.42Å; F101-H237 AromaticContact CZ-CD2 3.69Å; F101-H237 AromaticContact CZ-CE1 2.97Å; F101-H237 WeakPolarHBondContact CZ-CE1 3.46Å; F101-H237 AromaticContact CZ-CG 3.5Å; F101-H237 AromaticContact CZ-ND1 3.06Å; F101-H237 WeakPolarHBondContact CZ-ND1 3.37Å; F101-H237 AromaticContact CZ-NE2 3.39Å; F101-H237 WeakPolarHBondContact CZ-NE2 3.36Å; D102-H237 IonicContact OD1-CE1 3.35Å; D102-H237 PolarHBondContact OD1-CE1 3.49Å; D102-H237 IonicContact OD1-ND1 2.67Å; D102-H237 IonicContact OD2-CE1 3.45Å; L233-H237 PolarHBondContact O-N 3.08Å; N234-H237 WeakPolarHBondContact O-CB 3.37Å; N234-H237 PolarHBondContact O-N 3.13Å; N234-H237 VanDerWaalsContact O-N 3.13Å; I235-H237 PolarHBondContact O-N 3.34Å; H237-G239 PolarHBondContact O-N 3.15Å; H237-Q240 WeakPolarHBondContact O-CA 3.26Å; H237-Q240 WeakPolarHBondContact O-CB 3.33Å; H237-Q240 PolarHBondContact O-N 3.04Å; H237-L241 WeakPolarHBondContact O-CG 3.3Å; H237-L241 PolarHBondContact O-N 3Å; H237-Q248 PolarHBondContact CE1-O 3.15Å; H237-Q248 PolarHBondContact NE2-O 3.06Å; H237-K249 VanDerWaalsContact CE1-C 3.43Å; H237-K249 PolarHBondContact NE2-O 3.45Å; H237-Y250 HydrophobicContact CB-CD2 3.55Å; H237-Y250 HydrophobicContact CB-CE2 4.18Å; H237-Y250 AromaticContact CD2-CD2 3.87Å; H237-Y250 VanDerWaalsContact CE1-CA 3.47Å; H237-Y250 WeakPolarHBondContact CE1-CA 2.9Å; H237-Y250 PolarHBondContact CE1-N 3.45Å; H237-Y250 AromaticContact CG-CD2 3.6Å; H237-Y250 VanDerWaalsContact NE2-CA 3.32Å; H237-Y250 WeakPolarHBondContact NE2-CA 3.32Å; H237-Y250 PolarHBondContact NE2-N 3.39Å; H237-Y250 VanDerWaalsContact NE2-N 3.13Å |
| 238 | F | 89.7 | Confident | 90.4 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 4% | 0.039 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.9 | -41.2 | 172.3 | -87.6 | -87.8 | 0 | 0 | 0 | 112.2 | L45 F101 Q132 V145 L148 N234 I235 Q240 L241 I242 | L45-F238 HydrophobicContact CB-CE2 4.43Å; L45-F238 HydrophobicContact CB-CZ 4.39Å; L45-F238 HydrophobicContact CD1-CD2 4.22Å; L45-F238 HydrophobicContact CD1-CE2 4Å; L45-F238 HydrophobicContact CD2-CD1 4.35Å; L45-F238 HydrophobicContact CD2-CD2 3.96Å; L45-F238 HydrophobicContact CD2-CE1 4.44Å; L45-F238 HydrophobicContact CD2-CE2 4.04Å; L45-F238 HydrophobicContact CD2-CG 4.13Å; L45-F238 HydrophobicContact CD2-CZ 4.29Å; L45-F238 HydrophobicContact CG-CE2 4.37Å; F101-F238 HydrophobicContact CD1-CD2 4.17Å; F101-F238 AromaticContact CD1-CE2 3.7Å; F101-F238 HydrophobicContact CD1-CE2 3.7Å; F101-F238 HydrophobicContact CD1-CZ 4.32Å; F101-F238 HydrophobicContact CE1-CD2 4.16Å; F101-F238 HydrophobicContact CE1-CE2 4.02Å; Q132-F238 HydrophobicContact CB-CE2 4.49Å; Q132-F238 HydrophobicContact CB-CZ 3.95Å; Q132-F238 HydrophobicContact CG-CE2 4.08Å; Q132-F238 HydrophobicContact CG-CZ 3.91Å; V145-F238 HydrophobicContact CB-CE1 4.42Å; V145-F238 HydrophobicContact CG2-CE1 3.94Å; V145-F238 HydrophobicContact CG2-CZ 4.23Å; L148-F238 HydrophobicContact CD1-CD1 3.47Å; L148-F238 VanDerWaalsContact CD1-CD1 3.47Å; L148-F238 HydrophobicContact CD1-CE1 3.94Å; N234-F238 WeakPolarHBondContact O-CD2 3.4Å; N234-F238 PolarHBondContact O-N 3.13Å; N234-F238 VanDerWaalsContact O-N 3.09Å; I235-F238 PolarHBondContact O-N 3.01Å; F238-Q240 VanDerWaalsContact C-N 3.31Å; F238-Q240 PolarHBondContact O-N 3.2Å; F238-L241 PolarHBondContact O-N 2.95Å; F238-I242 VanDerWaalsContact O-CG1 3.32Å; F238-I242 WeakPolarHBondContact O-CG1 3.49Å; F238-I242 PolarHBondContact O-N 3.12Å |
| 239 | G | 88 | Confident | 90.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F162 I235 A236 H237 I242 I243 | F162-G239 VanDerWaalsContact CD2-CA 3.46Å; F162-G239 VanDerWaalsContact CG-CA 3.45Å; I235-G239 PolarHBondContact O-N 2.93Å; A236-G239 WeakPolarHBondContact O-CA 3.32Å; A236-G239 PolarHBondContact O-N 3.25Å; A236-G239 VanDerWaalsContact O-N 3.15Å; H237-G239 PolarHBondContact O-N 3.15Å; G239-I242 PolarHBondContact O-N 3.4Å; G239-I243 WeakPolarHBondContact O-CG1 3.2Å; G239-I243 PolarHBondContact O-N 3.32Å |
| 240 | Q | 90.2 | Very high | 91 | Very high | 12 Ų | 12 | 21 Ų | 21 | 6% | 0.056 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 174.8 | -67.9 | 173.5 | -10.1 | 0 | 0 | 111.9 | A236 H237 F238 I242 I243 T244 D251 | A236-Q240 WeakPolarHBondContact O-CG 3.35Å; A236-Q240 PolarHBondContact O-N 2.9Å; H237-Q240 WeakPolarHBondContact O-CA 3.26Å; H237-Q240 WeakPolarHBondContact O-CB 3.33Å; H237-Q240 PolarHBondContact O-N 3.04Å; F238-Q240 VanDerWaalsContact C-N 3.31Å; F238-Q240 PolarHBondContact O-N 3.2Å; Q240-I242 VanDerWaalsContact C-N 3.31Å; Q240-I242 PolarHBondContact O-N 3.29Å; Q240-I243 PolarHBondContact O-N 3.28Å; Q240-T244 WeakPolarHBondContact O-CB 3.12Å; Q240-T244 WeakPolarHBondContact O-CG2 3.47Å; Q240-T244 PolarHBondContact O-N 2.94Å; Q240-T244 PolarHBondContact O-OG1 3.5Å; Q240-D251 PolarHBondContact NE2-O 3.34Å |
| 241 | L | 91.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 176 | -54.7 | -174.7 | 0 | 0 | 0 | 111.2 | F101 L148 H237 F238 I243 D245 R246 Q248 | F101-L241 HydrophobicContact CE1-CD1 4.07Å; F101-L241 HydrophobicContact CZ-CD1 3.81Å; F101-L241 HydrophobicContact CZ-CD2 4.38Å; F101-L241 HydrophobicContact CZ-CG 4.37Å; L148-L241 HydrophobicContact CB-CB 4.49Å; L148-L241 HydrophobicContact CD1-CB 4.17Å; L148-L241 HydrophobicContact CD1-CD1 4.25Å; H237-L241 WeakPolarHBondContact O-CG 3.3Å; H237-L241 PolarHBondContact O-N 3Å; F238-L241 PolarHBondContact O-N 2.95Å; L241-I243 VanDerWaalsContact C-N 3.34Å; L241-I243 PolarHBondContact O-N 3.37Å; L241-D245 WeakPolarHBondContact O-CA 3.31Å; L241-D245 PolarHBondContact O-N 3.31Å; L241-R246 WeakPolarHBondContact CD2-O 3.42Å; L241-Q248 HydrophobicContact CD2-CG 4.36Å |
| 242 | I | 90.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 177.5 | -69.3 | 169.8 | 0 | 0 | 0 | 111.8 | L148 T151 L155 T156 R159 F162 F238 G239 Q240 | L148-I242 HydrophobicContact CB-CG1 3.77Å; L148-I242 HydrophobicContact CD1-CG1 4.13Å; T151-I242 HydrophobicContact CG2-CD1 4.34Å; T151-I242 HydrophobicContact CG2-CG1 4.06Å; T151-I242 HydrophobicContact CG2-CG2 4.41Å; L155-I242 HydrophobicContact CB-CD1 4.16Å; T156-I242 HydrophobicContact CG2-CG2 4.48Å; R159-I242 HydrophobicContact CG-CG2 3.64Å; R159-I242 PolarHBondContact NH2-O 3.01Å; F162-I242 HydrophobicContact CE2-CD1 4.06Å; F162-I242 HydrophobicContact CE2-CG2 4.44Å; F162-I242 HydrophobicContact CZ-CD1 4.41Å; F238-I242 VanDerWaalsContact O-CG1 3.32Å; F238-I242 WeakPolarHBondContact O-CG1 3.49Å; F238-I242 PolarHBondContact O-N 3.12Å; G239-I242 PolarHBondContact O-N 3.4Å; Q240-I242 VanDerWaalsContact C-N 3.31Å; Q240-I242 PolarHBondContact O-N 3.29Å |
| 243 | I | 88.7 | Confident | 91.2 | Very high | 49 Ų | 49 | 26.2 Ų | 26.2 | 25% | 0.251 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -75 | -47.2 | 179.3 | -70 | 163.4 | 0 | 0 | 0 | 111.4 | R159 F162 W163 G239 Q240 L241 | R159-I243 HydrophobicContact CG-CG1 4.47Å; F162-I243 HydrophobicContact CB-CD1 3.34Å; F162-I243 HydrophobicContact CB-CG1 4.22Å; F162-I243 HydrophobicContact CD2-CD1 4.44Å; F162-I243 HydrophobicContact CD2-CG1 4.47Å; F162-I243 HydrophobicContact CG-CD1 4.36Å; W163-I243 HydrophobicContact CD2-CD1 4.31Å; W163-I243 HydrophobicContact CG-CD1 4.28Å; W163-I243 HydrophobicContact CZ2-CG2 3.7Å; G239-I243 WeakPolarHBondContact O-CG1 3.2Å; G239-I243 PolarHBondContact O-N 3.32Å; Q240-I243 PolarHBondContact O-N 3.28Å; L241-I243 VanDerWaalsContact C-N 3.34Å; L241-I243 PolarHBondContact O-N 3.37Å |
| 244 | T | 91 | Very high | 91.2 | Very high | 40 Ų | 40 | 30.4 Ų | 30.4 | 25% | 0.245 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -86.8 | -21.2 | -167.2 | 59.4 | 0 | 0 | 0 | 0 | 113 | Q240 R246 Q248 | Q240-T244 WeakPolarHBondContact O-CB 3.12Å; Q240-T244 WeakPolarHBondContact O-CG2 3.47Å; Q240-T244 PolarHBondContact O-N 2.94Å; Q240-T244 PolarHBondContact O-OG1 3.5Å; T244-R246 PolarHBondContact O-N 2.83Å; T244-Q248 PolarHBondContact OG1-NE2 2.87Å |
| 245 | D | 92.8 | Very high | 91.2 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | trans | 51.7 | 40.5 | -171.9 | -170.5 | 30.2 | 0 | 0 | 0 | 112.5 | G149 L241 R296 | G149-D245 VanDerWaalsContact CA-OD1 3.29Å; G149-D245 WeakPolarHBondContact CA-OD1 3.44Å; G149-D245 PolarHBondContact N-OD1 2.74Å; L241-D245 WeakPolarHBondContact O-CA 3.31Å; L241-D245 PolarHBondContact O-N 3.31Å; D245-R296 PolarHBondContact O-NH1 3.15Å; D245-R296 PolarHBondContact O-NH2 2.83Å; D245-R296 IonicContact OD1-NH1 3.7Å; D245-R296 PolarHBondContact OD1-NH1 3.28Å; D245-R296 IonicContact OD2-NH1 3.94Å; D245-R296 PolarHBondContact OD2-NH1 2.81Å | ||
| 246 | R | 93.5 | Very high | 91.4 | Very high | 124 Ų | 124 | 41 Ų | 41 | 47% | 0.468 | 19% | 0.193 | S | C | . | . | trans | -127.4 | 134.9 | 178.8 | -69.1 | 175.2 | -170 | -129.5 | 7.3 | 110.4 | L241 T244 Q248 E268 | L241-R246 WeakPolarHBondContact CD2-O 3.42Å; T244-R246 PolarHBondContact O-N 2.83Å; R246-Q248 HydrophobicContact CB-CB 4.37Å; R246-Q248 HydrophobicContact CB-CG 4.12Å; R246-Q248 PolarHBondContact O-N 3Å; R246-Q248 VanDerWaalsContact O-N 3.16Å; R246-E268 WeakPolarHBondContact CD-OE1 3.48Å; R246-E268 IonicContact CZ-OE1 3.62Å; R246-E268 IonicContact NE-OE1 3.1Å; R246-E268 IonicContact NH1-OE1 2.77Å; R246-E268 PolarHBondContact NH1-OE1 2.82Å | ||
| 247 | M | 94 | Very high | 91.8 | Very high | 25 Ų | 25 | 41 Ų | 41 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | trans | -79 | 92.3 | 168.1 | -167.6 | -163.5 | 176.9 | 0 | 0 | 107.6 | L135 A146 F147 E268 Y269 P271 | L135-M247 HydrophobicContact CD1-CE 3.67Å; A146-M247 HydrophobicContact CB-CE 4.3Å; A146-M247 HydrophobicContact CB-CG 4.38Å; A146-M247 HydrophobicContact CB-SD 4.1Å; A146-M247 WeakPolarHBondContact O-CB 3.46Å; A146-M247 WeakPolarHBondContact O-CG 3.33Å; F147-M247 HydrophobicContact CD1-CB 4.34Å; F147-M247 HydrophobicContact CE1-CB 3.83Å; F147-M247 HydrophobicContact CZ-CB 4.12Å; M247-E268 WeakPolarHBondContact O-CA 3.15Å; M247-Y269 HydrophobicContact CE-CD2 4.44Å; M247-Y269 HydrophobicContact CE-CG 4.22Å; M247-Y269 HydrophobicContact CG-CD2 3.95Å; M247-Y269 HydrophobicContact CG-CG 4.3Å; M247-Y269 PolarHBondContact O-N 2.96Å; M247-P271 HydrophobicContact SD-CB 4.42Å; M247-P271 HydrophobicContact SD-CG 4.02Å | ||
| 248 | Q | 95.7 | Very high | 92 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 5% | 0.051 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -139.4 | 162 | -172.8 | 65.3 | -177.2 | 16.4 | 0 | 0 | 112.4 | H237 L241 T244 R246 P266 E268 Y269 | H237-Q248 PolarHBondContact CE1-O 3.15Å; H237-Q248 PolarHBondContact NE2-O 3.06Å; L241-Q248 HydrophobicContact CD2-CG 4.36Å; T244-Q248 PolarHBondContact OG1-NE2 2.87Å; R246-Q248 HydrophobicContact CB-CB 4.37Å; R246-Q248 HydrophobicContact CB-CG 4.12Å; R246-Q248 PolarHBondContact O-N 3Å; R246-Q248 VanDerWaalsContact O-N 3.16Å; Q248-P266 HydrophobicContact CG-CG 4.31Å; Q248-E268 HydrophobicContact CB-CG 4.15Å; Q248-Y269 WeakPolarHBondContact O-CE2 3.06Å |
| 249 | K | 96.5 | Very high | 92.3 | Very high | 61 Ų | 61 | 51.4 Ų | 51.4 | 27% | 0.265 | 24% | 0.241 | S | C | . | . | trans | -65.4 | 167 | 170.3 | -65.2 | -158.1 | 177 | -164.6 | 0 | 111.5 | H237 D251 Y261 P266 P267 Y269 | H237-K249 VanDerWaalsContact CE1-C 3.43Å; H237-K249 PolarHBondContact NE2-O 3.45Å; K249-D251 PolarHBondContact O-N 3.28Å; K249-Y261 HydrophobicContact CB-CE1 4.2Å; K249-Y261 HydrophobicContact CB-CE2 4.41Å; K249-Y261 WeakPolarHBondContact CB-OH 3.34Å; K249-Y261 HydrophobicContact CD-CD1 4.31Å; K249-Y261 HydrophobicContact CD-CE1 3.7Å; K249-P266 HydrophobicContact CB-CB 4.42Å; K249-P266 WeakPolarHBondContact O-CB 3.06Å; K249-P267 HydrophobicContact CB-CG 4.19Å; K249-P267 HydrophobicContact CD-CG 3.72Å; K249-P267 HydrophobicContact CG-CG 3.87Å; K249-P267 PolarHBondContact N-O 2.88Å; K249-Y269 HydrophobicContact CG-CE1 4.01Å; K249-Y269 HydrophobicContact CG-CE2 4.22Å | ||
| 250 | Y | 93.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | trans | -63.1 | 131.5 | -177.2 | -177.3 | -105.6 | 0 | 0 | 0 | 111.6 | T100 D102 N166 L233 A236 H237 Y252 Y261 | T100-Y250 HydrophobicContact CG2-CD2 4.01Å; T100-Y250 HydrophobicContact CG2-CG 3.97Å; D102-Y250 PolarHBondContact OD2-N 3.06Å; N166-Y250 PolarHBondContact ND2-OH 3.01Å; N166-Y250 VanDerWaalsContact ND2-OH 3.12Å; N166-Y250 PolarHBondContact OD1-OH 2.83Å; L233-Y250 HydrophobicContact CD1-CE1 3.61Å; L233-Y250 HydrophobicContact CD1-CE2 4.15Å; L233-Y250 WeakPolarHBondContact CD1-OH 3.35Å; L233-Y250 HydrophobicContact CD2-CE1 4.41Å; L233-Y250 HydrophobicContact CG-CE1 4.09Å; L233-Y250 HydrophobicContact CG-CE2 4.31Å; A236-Y250 HydrophobicContact CB-CE2 3.97Å; H237-Y250 HydrophobicContact CB-CD2 3.55Å; H237-Y250 HydrophobicContact CB-CE2 4.18Å; H237-Y250 AromaticContact CD2-CD2 3.87Å; H237-Y250 VanDerWaalsContact CE1-CA 3.47Å; H237-Y250 WeakPolarHBondContact CE1-CA 2.9Å; H237-Y250 PolarHBondContact CE1-N 3.45Å; H237-Y250 AromaticContact CG-CD2 3.6Å; H237-Y250 VanDerWaalsContact NE2-CA 3.32Å; H237-Y250 WeakPolarHBondContact NE2-CA 3.32Å; H237-Y250 PolarHBondContact NE2-N 3.39Å; H237-Y250 VanDerWaalsContact NE2-N 3.13Å; Y250-Y252 AromaticContact CD1-CD1 3.57Å; Y250-Y252 HydrophobicContact CD1-CD1 3.57Å; Y250-Y252 AromaticContact CD1-CD2 3.77Å; Y250-Y252 HydrophobicContact CD1-CD2 3.77Å; Y250-Y252 AromaticContact CD1-CE1 3.5Å; Y250-Y252 HydrophobicContact CD1-CE1 3.5Å; Y250-Y252 VanDerWaalsContact CD1-CE1 3.5Å; Y250-Y252 AromaticContact CD1-CE2 3.72Å; Y250-Y252 HydrophobicContact CD1-CE2 3.72Å; Y250-Y252 AromaticContact CD1-CG 3.69Å; Y250-Y252 HydrophobicContact CD1-CG 3.69Å; Y250-Y252 AromaticContact CD1-CZ 3.58Å; Y250-Y252 AromaticContact CE1-CD1 3.57Å; Y250-Y252 HydrophobicContact CE1-CD1 3.57Å; Y250-Y252 HydrophobicContact CE1-CD2 4.5Å; Y250-Y252 AromaticContact CE1-CE1 3.74Å; Y250-Y252 HydrophobicContact CE1-CE1 3.74Å; Y250-Y252 AromaticContact CE1-CG 3.97Å; Y250-Y252 HydrophobicContact CE1-CG 3.97Å; Y250-Y252 WeakPolarHBondContact O-CD2 3.34Å; Y250-Y252 PolarHBondContact O-N 3.22Å; Y250-Y261 PolarHBondContact N-OH 2.76Å; Y250-Y261 VanDerWaalsContact O-CE2 3.23Å; Y250-Y261 WeakPolarHBondContact O-CE2 3.21Å; Y250-Y261 PolarHBondContact O-OH 3.17Å | ||
| 251 | D | 93 | Very high | 92.9 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 17% | 0.166 | 27% | 0.267 | C | S | . | . | trans | -84.2 | 106.6 | 175 | -166.4 | -16.8 | 0 | 0 | 0 | 110.1 | Q240 K249 G253 N257 P266 | Q240-D251 PolarHBondContact NE2-O 3.34Å; K249-D251 PolarHBondContact O-N 3.28Å; D251-G253 PolarHBondContact O-N 2.88Å; D251-G253 VanDerWaalsContact OD1-CA 3.29Å; D251-G253 WeakPolarHBondContact OD1-CA 3.4Å; D251-G253 PolarHBondContact OD1-N 3.01Å; D251-N257 PolarHBondContact OD1-ND2 2.87Å; D251-N257 PolarHBondContact OD1-OD1 2.8Å; D251-P266 HydrophobicContact CB-CG 3.97Å | ||
| 252 | Y | 90.8 | Very high | 93.2 | Very high | 53 Ų | 53 | 65 Ų | 65 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | trans | -84.7 | 9.6 | 175.5 | -66.2 | -86 | 0 | 0 | 0 | 112.6 | L233 Y250 N257 H260 Y261 | L233-Y252 HydrophobicContact CD2-CE1 4.41Å; Y250-Y252 AromaticContact CD1-CD1 3.57Å; Y250-Y252 HydrophobicContact CD1-CD1 3.57Å; Y250-Y252 AromaticContact CD1-CD2 3.77Å; Y250-Y252 HydrophobicContact CD1-CD2 3.77Å; Y250-Y252 AromaticContact CD1-CE1 3.5Å; Y250-Y252 HydrophobicContact CD1-CE1 3.5Å; Y250-Y252 VanDerWaalsContact CD1-CE1 3.5Å; Y250-Y252 AromaticContact CD1-CE2 3.72Å; Y250-Y252 HydrophobicContact CD1-CE2 3.72Å; Y250-Y252 AromaticContact CD1-CG 3.69Å; Y250-Y252 HydrophobicContact CD1-CG 3.69Å; Y250-Y252 AromaticContact CD1-CZ 3.58Å; Y250-Y252 AromaticContact CE1-CD1 3.57Å; Y250-Y252 HydrophobicContact CE1-CD1 3.57Å; Y250-Y252 HydrophobicContact CE1-CD2 4.5Å; Y250-Y252 AromaticContact CE1-CE1 3.74Å; Y250-Y252 HydrophobicContact CE1-CE1 3.74Å; Y250-Y252 AromaticContact CE1-CG 3.97Å; Y250-Y252 HydrophobicContact CE1-CG 3.97Å; Y250-Y252 WeakPolarHBondContact O-CD2 3.34Å; Y250-Y252 PolarHBondContact O-N 3.22Å; Y252-N257 PolarHBondContact N-OD1 2.75Å; Y252-H260 HydrophobicContact CD2-CB 4.04Å; Y252-H260 AromaticContact CD2-CD2 3.88Å; Y252-H260 AromaticContact CD2-CG 3.78Å; Y252-H260 AromaticContact CE1-CE1 3.92Å; Y252-H260 AromaticContact CE1-NE2 3.96Å; Y252-H260 HydrophobicContact CE2-CB 4.04Å; Y252-H260 AromaticContact CE2-CG 3.63Å; Y252-H260 AromaticContact CE2-ND1 3.63Å; Y252-H260 AromaticContact CG-CD2 3.96Å; Y252-H260 AromaticContact CZ-CE1 3.68Å; Y252-H260 AromaticContact CZ-ND1 3.71Å; Y252-Y261 HydrophobicContact CD2-CE2 4.05Å; Y252-Y261 AromaticContact CD2-CZ 3.97Å; Y252-Y261 HydrophobicContact CE2-CE2 4.42Å; Y252-Y261 AromaticContact CE2-CZ 3.87Å; Y252-Y261 VanDerWaalsContact CE2-OH 3.26Å; Y252-Y261 WeakPolarHBondContact CE2-OH 3.3Å | ||
| 253 | G | 89 | Confident | 93.4 | Very high | 32 Ų | 32 | 68.8 Ų | 68.8 | 33% | 0.33 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | 72.8 | 170.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D251 R255 G256 N257 | D251-G253 PolarHBondContact O-N 2.88Å; D251-G253 VanDerWaalsContact OD1-CA 3.29Å; D251-G253 WeakPolarHBondContact OD1-CA 3.4Å; D251-G253 PolarHBondContact OD1-N 3.01Å; G253-R255 PolarHBondContact O-N 2.86Å; G253-R255 VanDerWaalsContact O-N 3.16Å; G253-G256 CarbonylContact O-C 3.53Å; G253-G256 WeakPolarHBondContact O-CA 3.47Å; G253-G256 PolarHBondContact O-N 2.89Å; G253-N257 WeakPolarHBondContact O-CB 3.25Å; G253-N257 VanDerWaalsContact O-CG 3.28Å; G253-N257 PolarHBondContact O-N 3.49Å; G253-N257 PolarHBondContact O-ND2 3.3Å |
| 254 | F | 89.1 | Confident | 93.8 | Very high | 119 Ų | 119 | 71.9 Ų | 71.9 | 52% | 0.522 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -47.4 | -51.5 | -169.9 | -167.9 | -109.9 | 0 | 0 | 0 | 114.8 | L258 W264 | F254-L258 PolarHBondContact O-N 3.04Å; F254-W264 HydrophobicContact CD1-CD2 4.41Å; F254-W264 AromaticContact CD1-CE3 3.42Å; F254-W264 HydrophobicContact CD1-CE3 3.42Å; F254-W264 VanDerWaalsContact CD1-CE3 3.42Å; F254-W264 HydrophobicContact CD1-CH2 4.04Å; F254-W264 AromaticContact CD1-CZ3 3.2Å; F254-W264 HydrophobicContact CD1-CZ3 3.2Å; F254-W264 HydrophobicContact CD2-CB 3.92Å; F254-W264 AromaticContact CD2-CD2 3.83Å; F254-W264 HydrophobicContact CD2-CD2 3.83Å; F254-W264 AromaticContact CD2-CE3 3.38Å; F254-W264 HydrophobicContact CD2-CE3 3.38Å; F254-W264 HydrophobicContact CD2-CG 4.12Å; F254-W264 HydrophobicContact CD2-CZ3 4.09Å; F254-W264 AromaticContact CE1-CD2 3.9Å; F254-W264 HydrophobicContact CE1-CD2 3.9Å; F254-W264 AromaticContact CE1-CE3 3.22Å; F254-W264 HydrophobicContact CE1-CE3 3.22Å; F254-W264 AromaticContact CE1-CH2 3.24Å; F254-W264 HydrophobicContact CE1-CH2 3.24Å; F254-W264 AromaticContact CE1-CZ2 3.94Å; F254-W264 HydrophobicContact CE1-CZ2 3.94Å; F254-W264 AromaticContact CE1-CZ3 2.86Å; F254-W264 HydrophobicContact CE1-CZ3 2.86Å; F254-W264 HydrophobicContact CE2-CB 3.72Å; F254-W264 AromaticContact CE2-CD2 3.2Å; F254-W264 HydrophobicContact CE2-CD2 3.2Å; F254-W264 AromaticContact CE2-CE2 3.93Å; F254-W264 AromaticContact CE2-CE3 3.15Å; F254-W264 HydrophobicContact CE2-CE3 3.15Å; F254-W264 AromaticContact CE2-CG 3.51Å; F254-W264 HydrophobicContact CE2-CG 3.51Å; F254-W264 HydrophobicContact CE2-CH2 4.38Å; F254-W264 HydrophobicContact CE2-CZ2 4.45Å; F254-W264 AromaticContact CE2-CZ3 3.81Å; F254-W264 HydrophobicContact CE2-CZ3 3.81Å; F254-W264 HydrophobicContact CG-CD2 4.4Å; F254-W264 AromaticContact CG-CE3 3.51Å; F254-W264 HydrophobicContact CG-CE3 3.51Å; F254-W264 AromaticContact CG-CZ3 3.83Å; F254-W264 HydrophobicContact CG-CZ3 3.83Å; F254-W264 AromaticContact CZ-CD2 3.25Å; F254-W264 HydrophobicContact CZ-CD2 3.25Å; F254-W264 AromaticContact CZ-CE2 3.54Å; F254-W264 AromaticContact CZ-CE3 3.07Å; F254-W264 HydrophobicContact CZ-CE3 3.07Å; F254-W264 HydrophobicContact CZ-CG 4Å; F254-W264 AromaticContact CZ-CH2 3.44Å; F254-W264 HydrophobicContact CZ-CH2 3.44Å; F254-W264 VanDerWaalsContact CZ-CH2 3.44Å; F254-W264 AromaticContact CZ-CZ2 3.63Å; F254-W264 HydrophobicContact CZ-CZ2 3.63Å; F254-W264 AromaticContact CZ-CZ3 3.2Å; F254-W264 HydrophobicContact CZ-CZ3 3.2Å |
| 255 | R | 90.9 | Very high | 94 | Very high | 220 Ų | 220 | 77 Ų | 77 | 83% | 0.83 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -73.4 | -35.7 | 179.4 | -70.1 | -176.3 | 175.3 | 174.9 | -0.8 | 112.7 | G253 L258 K259 | G253-R255 PolarHBondContact O-N 2.86Å; G253-R255 VanDerWaalsContact O-N 3.16Å; R255-L258 PolarHBondContact O-N 3.35Å; R255-K259 PolarHBondContact O-N 3.29Å; R255-K259 VanDerWaalsContact O-N 3.12Å |
| 256 | G | 92 | Very high | 94.2 | Very high | 19 Ų | 19 | 75.2 Ų | 75.2 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G253 L258 K259 H260 | G253-G256 CarbonylContact O-C 3.53Å; G253-G256 WeakPolarHBondContact O-CA 3.47Å; G253-G256 PolarHBondContact O-N 2.89Å; G256-L258 VanDerWaalsContact C-N 3.3Å; G256-L258 PolarHBondContact O-N 3.35Å; G256-K259 WeakPolarHBondContact O-CA 3.41Å; G256-K259 WeakPolarHBondContact O-CB 3.37Å; G256-K259 PolarHBondContact O-N 3.15Å; G256-H260 PolarHBondContact O-CD2 2.67Å; G256-H260 VanDerWaalsContact O-CD2 3.23Å; G256-H260 PolarHBondContact O-N 2.78Å |
| 257 | N | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 175.6 | -65.2 | -22.4 | 0 | 0 | 0 | 111.2 | D251 Y252 G253 K259 H260 Y261 K262 Q263 W264 | D251-N257 PolarHBondContact OD1-ND2 2.87Å; D251-N257 PolarHBondContact OD1-OD1 2.8Å; Y252-N257 PolarHBondContact N-OD1 2.75Å; G253-N257 WeakPolarHBondContact O-CB 3.25Å; G253-N257 VanDerWaalsContact O-CG 3.28Å; G253-N257 PolarHBondContact O-N 3.49Å; G253-N257 PolarHBondContact O-ND2 3.3Å; N257-K259 VanDerWaalsContact C-N 3.29Å; N257-K259 PolarHBondContact O-N 3.37Å; N257-H260 PolarHBondContact O-N 3.11Å; N257-Y261 HydrophobicContact CB-CD2 4.05Å; N257-Y261 WeakPolarHBondContact O-CA 3.33Å; N257-Y261 WeakPolarHBondContact O-CB 3.13Å; N257-Y261 PolarHBondContact O-N 3.2Å; N257-K262 PolarHBondContact O-N 2.89Å; N257-Q263 CarbonylContact C-O 3.59Å; N257-Q263 WeakPolarHBondContact CB-O 3.37Å; N257-Q263 VanDerWaalsContact O-O 3.1Å; N257-W264 WeakPolarHBondContact CB-O 3.43Å; N257-W264 PolarHBondContact ND2-O 3.4Å |
| 258 | L | 96.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 74.4 Ų | 74.4 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 175.6 | -170 | 69.2 | 0 | 0 | 0 | 111.8 | F254 R255 G256 K262 Q263 W264 | F254-L258 PolarHBondContact O-N 3.04Å; R255-L258 PolarHBondContact O-N 3.35Å; G256-L258 VanDerWaalsContact C-N 3.3Å; G256-L258 PolarHBondContact O-N 3.35Å; L258-K262 VanDerWaalsContact O-CA 3.32Å; L258-K262 WeakPolarHBondContact O-CA 3.46Å; L258-K262 PolarHBondContact O-N 3.48Å; L258-Q263 PolarHBondContact N-O 3.29Å; L258-Q263 VanDerWaalsContact N-O 3.13Å; L258-W264 HydrophobicContact CB-CE3 4.19Å; L258-W264 HydrophobicContact CB-CZ3 4.08Å; L258-W264 HydrophobicContact CD1-CE3 4.49Å; L258-W264 HydrophobicContact CD1-CZ3 4.46Å; L258-W264 HydrophobicContact CD2-CH2 3.86Å; L258-W264 HydrophobicContact CD2-CZ3 3.79Å; L258-W264 HydrophobicContact CG-CZ3 4.33Å |
| 259 | K | 95.3 | Very high | 94.4 | Very high | 154 Ų | 154 | 76.7 Ų | 76.7 | 67% | 0.67 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.8 | -49.6 | 176.4 | -176.5 | -177.8 | 176.1 | -172.9 | 0 | 111.6 | R255 G256 N257 K262 | R255-K259 PolarHBondContact O-N 3.29Å; R255-K259 VanDerWaalsContact O-N 3.12Å; G256-K259 WeakPolarHBondContact O-CA 3.41Å; G256-K259 WeakPolarHBondContact O-CB 3.37Å; G256-K259 PolarHBondContact O-N 3.15Å; N257-K259 VanDerWaalsContact C-N 3.29Å; N257-K259 PolarHBondContact O-N 3.37Å; K259-K262 PolarHBondContact O-NZ 3Å |
| 260 | H | 94.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 77.7 Ų | 77.7 | 44% | 0.44 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -82.3 | -41.6 | -171.7 | -75.9 | -97.7 | 0 | 0 | 0 | 113.6 | Y252 G256 N257 | Y252-H260 HydrophobicContact CD2-CB 4.04Å; Y252-H260 AromaticContact CD2-CD2 3.88Å; Y252-H260 AromaticContact CD2-CG 3.78Å; Y252-H260 AromaticContact CE1-CE1 3.92Å; Y252-H260 AromaticContact CE1-NE2 3.96Å; Y252-H260 HydrophobicContact CE2-CB 4.04Å; Y252-H260 AromaticContact CE2-CG 3.63Å; Y252-H260 AromaticContact CE2-ND1 3.63Å; Y252-H260 AromaticContact CG-CD2 3.96Å; Y252-H260 AromaticContact CZ-CE1 3.68Å; Y252-H260 AromaticContact CZ-ND1 3.71Å; G256-H260 PolarHBondContact O-CD2 2.67Å; G256-H260 VanDerWaalsContact O-CD2 3.23Å; G256-H260 PolarHBondContact O-N 2.78Å; N257-H260 PolarHBondContact O-N 3.11Å |
| 261 | Y | 96.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 78.5 Ų | 78.5 | 16% | 0.161 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -115.2 | -6.5 | -170.8 | -48.3 | -46.4 | 0 | 0 | 0 | 114.1 | K249 Y250 Y252 N257 Q263 P266 P267 | K249-Y261 HydrophobicContact CB-CE1 4.2Å; K249-Y261 HydrophobicContact CB-CE2 4.41Å; K249-Y261 WeakPolarHBondContact CB-OH 3.34Å; K249-Y261 HydrophobicContact CD-CD1 4.31Å; K249-Y261 HydrophobicContact CD-CE1 3.7Å; Y250-Y261 PolarHBondContact N-OH 2.76Å; Y250-Y261 VanDerWaalsContact O-CE2 3.23Å; Y250-Y261 WeakPolarHBondContact O-CE2 3.21Å; Y250-Y261 PolarHBondContact O-OH 3.17Å; Y252-Y261 HydrophobicContact CD2-CE2 4.05Å; Y252-Y261 AromaticContact CD2-CZ 3.97Å; Y252-Y261 HydrophobicContact CE2-CE2 4.42Å; Y252-Y261 AromaticContact CE2-CZ 3.87Å; Y252-Y261 VanDerWaalsContact CE2-OH 3.26Å; Y252-Y261 WeakPolarHBondContact CE2-OH 3.3Å; N257-Y261 HydrophobicContact CB-CD2 4.05Å; N257-Y261 WeakPolarHBondContact O-CA 3.33Å; N257-Y261 WeakPolarHBondContact O-CB 3.13Å; N257-Y261 PolarHBondContact O-N 3.2Å; Y261-Q263 PolarHBondContact O-N 2.84Å; Y261-P266 HydrophobicContact CE2-CB 4.07Å; Y261-P267 HydrophobicContact CD1-CG 4.32Å; Y261-P267 HydrophobicContact CG-CG 4.27Å |
| 262 | K | 97.3 | Very high | 94 | Very high | 164 Ų | 164 | 81.8 Ų | 81.8 | 71% | 0.713 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 59.5 | 23.9 | -172.9 | -46.7 | -53.8 | 179.9 | -156.8 | 0 | 113.4 | N257 L258 K259 | N257-K262 PolarHBondContact O-N 2.89Å; L258-K262 VanDerWaalsContact O-CA 3.32Å; L258-K262 WeakPolarHBondContact O-CA 3.46Å; L258-K262 PolarHBondContact O-N 3.48Å; K259-K262 PolarHBondContact O-NZ 3Å |
| 263 | Q | 96.7 | Very high | 94 | Very high | 84 Ų | 84 | 88 Ų | 88 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -145.1 | 162.3 | 175.9 | 55.5 | 176.4 | 48.5 | 0 | 0 | 110.3 | N257 L258 Y261 F265 | N257-Q263 CarbonylContact C-O 3.59Å; N257-Q263 WeakPolarHBondContact CB-O 3.37Å; N257-Q263 VanDerWaalsContact O-O 3.1Å; L258-Q263 PolarHBondContact N-O 3.29Å; L258-Q263 VanDerWaalsContact N-O 3.13Å; Y261-Q263 PolarHBondContact O-N 2.84Å; Q263-F265 WeakPolarHBondContact CG-O 3.41Å; Q263-F265 PolarHBondContact NE2-O 2.66Å |
| 264 | W | 95.7 | Very high | 94 | Very high | 113 Ų | 113 | 88.9 Ų | 88.9 | 43% | 0.428 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -76.7 | -25.1 | -172.1 | -62.3 | 117.6 | 0 | 0 | 0 | 115 | F254 N257 L258 | F254-W264 HydrophobicContact CD1-CD2 4.41Å; F254-W264 AromaticContact CD1-CE3 3.42Å; F254-W264 HydrophobicContact CD1-CE3 3.42Å; F254-W264 VanDerWaalsContact CD1-CE3 3.42Å; F254-W264 HydrophobicContact CD1-CH2 4.04Å; F254-W264 AromaticContact CD1-CZ3 3.2Å; F254-W264 HydrophobicContact CD1-CZ3 3.2Å; F254-W264 HydrophobicContact CD2-CB 3.92Å; F254-W264 AromaticContact CD2-CD2 3.83Å; F254-W264 HydrophobicContact CD2-CD2 3.83Å; F254-W264 AromaticContact CD2-CE3 3.38Å; F254-W264 HydrophobicContact CD2-CE3 3.38Å; F254-W264 HydrophobicContact CD2-CG 4.12Å; F254-W264 HydrophobicContact CD2-CZ3 4.09Å; F254-W264 AromaticContact CE1-CD2 3.9Å; F254-W264 HydrophobicContact CE1-CD2 3.9Å; F254-W264 AromaticContact CE1-CE3 3.22Å; F254-W264 HydrophobicContact CE1-CE3 3.22Å; F254-W264 AromaticContact CE1-CH2 3.24Å; F254-W264 HydrophobicContact CE1-CH2 3.24Å; F254-W264 AromaticContact CE1-CZ2 3.94Å; F254-W264 HydrophobicContact CE1-CZ2 3.94Å; F254-W264 AromaticContact CE1-CZ3 2.86Å; F254-W264 HydrophobicContact CE1-CZ3 2.86Å; F254-W264 HydrophobicContact CE2-CB 3.72Å; F254-W264 AromaticContact CE2-CD2 3.2Å; F254-W264 HydrophobicContact CE2-CD2 3.2Å; F254-W264 AromaticContact CE2-CE2 3.93Å; F254-W264 AromaticContact CE2-CE3 3.15Å; F254-W264 HydrophobicContact CE2-CE3 3.15Å; F254-W264 AromaticContact CE2-CG 3.51Å; F254-W264 HydrophobicContact CE2-CG 3.51Å; F254-W264 HydrophobicContact CE2-CH2 4.38Å; F254-W264 HydrophobicContact CE2-CZ2 4.45Å; F254-W264 AromaticContact CE2-CZ3 3.81Å; F254-W264 HydrophobicContact CE2-CZ3 3.81Å; F254-W264 HydrophobicContact CG-CD2 4.4Å; F254-W264 AromaticContact CG-CE3 3.51Å; F254-W264 HydrophobicContact CG-CE3 3.51Å; F254-W264 AromaticContact CG-CZ3 3.83Å; F254-W264 HydrophobicContact CG-CZ3 3.83Å; F254-W264 AromaticContact CZ-CD2 3.25Å; F254-W264 HydrophobicContact CZ-CD2 3.25Å; F254-W264 AromaticContact CZ-CE2 3.54Å; F254-W264 AromaticContact CZ-CE3 3.07Å; F254-W264 HydrophobicContact CZ-CE3 3.07Å; F254-W264 HydrophobicContact CZ-CG 4Å; F254-W264 AromaticContact CZ-CH2 3.44Å; F254-W264 HydrophobicContact CZ-CH2 3.44Å; F254-W264 VanDerWaalsContact CZ-CH2 3.44Å; F254-W264 AromaticContact CZ-CZ2 3.63Å; F254-W264 HydrophobicContact CZ-CZ2 3.63Å; F254-W264 AromaticContact CZ-CZ3 3.2Å; F254-W264 HydrophobicContact CZ-CZ3 3.2Å; N257-W264 WeakPolarHBondContact CB-O 3.43Å; N257-W264 PolarHBondContact ND2-O 3.4Å; L258-W264 HydrophobicContact CB-CE3 4.19Å; L258-W264 HydrophobicContact CB-CZ3 4.08Å; L258-W264 HydrophobicContact CD1-CE3 4.49Å; L258-W264 HydrophobicContact CD1-CZ3 4.46Å; L258-W264 HydrophobicContact CD2-CH2 3.86Å; L258-W264 HydrophobicContact CD2-CZ3 3.79Å; L258-W264 HydrophobicContact CG-CZ3 4.33Å |
| 265 | F | 95.3 | Very high | 94 | Very high | 147 Ų | 147 | 93.9 Ų | 93.9 | 65% | 0.645 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -118.8 | 150.7 | -177.1 | -58.8 | -74.9 | 0 | 0 | 0 | 109.7 | Q263 | Q263-F265 WeakPolarHBondContact CG-O 3.41Å; Q263-F265 PolarHBondContact NE2-O 2.66Å |
| 266 | P | 96.4 | Very high | 94 | Very high | 9 Ų | 9 | 85.5 Ų | 85.5 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 138.4 | 174 | 27.8 | -36.1 | 0 | 0 | 0 | 110.4 | Q248 K249 D251 Y261 | Q248-P266 HydrophobicContact CG-CG 4.31Å; K249-P266 HydrophobicContact CB-CB 4.42Å; K249-P266 WeakPolarHBondContact O-CB 3.06Å; D251-P266 HydrophobicContact CB-CG 3.97Å; Y261-P266 HydrophobicContact CE2-CB 4.07Å |
| 267 | P | 97 | Very high | 94.1 | Very high | 36 Ų | 36 | 86.8 Ų | 86.8 | 23% | 0.234 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 141.4 | 173.1 | 27 | -32.6 | 0 | 0 | 0 | 110.6 | K249 Y261 | K249-P267 HydrophobicContact CB-CG 4.19Å; K249-P267 HydrophobicContact CD-CG 3.72Å; K249-P267 HydrophobicContact CG-CG 3.87Å; K249-P267 PolarHBondContact N-O 2.88Å; Y261-P267 HydrophobicContact CD1-CG 4.32Å; Y261-P267 HydrophobicContact CG-CG 4.27Å |
| 268 | E | 96.4 | Very high | 94 | Very high | 96 Ų | 96 | 87.2 Ų | 87.2 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -78.5 | 142.8 | 171.9 | -65.3 | -172.1 | -161.9 | 0 | 0 | 110.9 | R246 M247 Q248 | R246-E268 WeakPolarHBondContact CD-OE1 3.48Å; R246-E268 IonicContact CZ-OE1 3.62Å; R246-E268 IonicContact NE-OE1 3.1Å; R246-E268 IonicContact NH1-OE1 2.77Å; R246-E268 PolarHBondContact NH1-OE1 2.82Å; M247-E268 WeakPolarHBondContact O-CA 3.15Å; Q248-E268 HydrophobicContact CB-CG 4.15Å |
| 269 | Y | 95.2 | Very high | 94 | Very high | 59 Ų | 59 | 83.7 Ų | 83.7 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 147.9 | 171 | -69.3 | -67.2 | 0 | 0 | 0 | 110.4 | F101 D102 M247 Q248 K249 P271 | F101-Y269 HydrophobicContact CE2-CE2 4.01Å; D102-Y269 VanDerWaalsContact CG-OH 3.31Å; D102-Y269 PolarHBondContact OD1-OH 3.08Å; M247-Y269 HydrophobicContact CE-CD2 4.44Å; M247-Y269 HydrophobicContact CE-CG 4.22Å; M247-Y269 HydrophobicContact CG-CD2 3.95Å; M247-Y269 HydrophobicContact CG-CG 4.3Å; M247-Y269 PolarHBondContact O-N 2.96Å; Q248-Y269 WeakPolarHBondContact O-CE2 3.06Å; K249-Y269 HydrophobicContact CG-CE1 4.01Å; K249-Y269 HydrophobicContact CG-CE2 4.22Å; Y269-P271 WeakPolarHBondContact O-CD 3.42Å |
| 270 | Q | 93.1 | Very high | 94.1 | Very high | 81 Ų | 81 | 76.5 Ų | 76.5 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | trans | -123.4 | 75.1 | -174.2 | -61.6 | -169.7 | 19.7 | 0 | 0 | 110.3 | Q272 R273 | Q270-Q272 VanDerWaalsContact CA-OE1 3.22Å; Q270-Q272 PolarHBondContact O-N 3.29Å; Q270-Q272 VanDerWaalsContact O-N 3.17Å; Q270-R273 HydrophobicContact CB-CB 4.48Å; Q270-R273 HydrophobicContact CB-CG 4.13Å; Q270-R273 WeakPolarHBondContact O-CB 3.33Å; Q270-R273 PolarHBondContact O-N 2.55Å; Q270-R273 VanDerWaalsContact OE1-NH2 3.09Å | ||
| 271 | P | 90.5 | Very high | 94.3 | Very high | 20 Ų | 20 | 72 Ų | 72 | 13% | 0.13 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.3 | -22 | -175.8 | 30.2 | -38.5 | 0 | 0 | 0 | 112.8 | M247 Y269 R273 N274 L297 I300 | M247-P271 HydrophobicContact SD-CB 4.42Å; M247-P271 HydrophobicContact SD-CG 4.02Å; Y269-P271 WeakPolarHBondContact O-CD 3.42Å; P271-R273 PolarHBondContact O-N 3.36Å; P271-R273 VanDerWaalsContact O-N 3.16Å; P271-N274 WeakPolarHBondContact O-CB 3.31Å; P271-N274 PolarHBondContact O-N 2.95Å; P271-N274 VanDerWaalsContact O-N 3.07Å; P271-L297 HydrophobicContact CB-CD1 4.25Å; P271-L297 HydrophobicContact CG-CD1 4.23Å; P271-I300 HydrophobicContact CG-CD1 3.58Å; P271-I300 HydrophobicContact CG-CG1 3.92Å |
| 272 | Q | 90.1 | Very high | 94.3 | Very high | 101 Ų | 101 | 70.8 Ų | 70.8 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -61.3 | -17.2 | 169.9 | 68.7 | -82.1 | 22.1 | 0 | 0 | 114.2 | Q270 I300 | Q270-Q272 VanDerWaalsContact CA-OE1 3.22Å; Q270-Q272 PolarHBondContact O-N 3.29Å; Q270-Q272 VanDerWaalsContact O-N 3.17Å; Q272-I300 VanDerWaalsContact CA-O 3.3Å; Q272-I300 WeakPolarHBondContact CA-O 3.31Å; Q272-I300 VanDerWaalsContact CB-O 3.24Å; Q272-I300 WeakPolarHBondContact CB-O 3.45Å; Q272-I300 PolarHBondContact N-O 3.19Å |
| 273 | R | 91.3 | Very high | 94.3 | Very high | 182 Ų | 182 | 63 Ų | 63 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -94.7 | -6.5 | 176.9 | -64.9 | -172.4 | 174.9 | 172.2 | 8.6 | 112.9 | Q270 P271 R275 | Q270-R273 HydrophobicContact CB-CB 4.48Å; Q270-R273 HydrophobicContact CB-CG 4.13Å; Q270-R273 WeakPolarHBondContact O-CB 3.33Å; Q270-R273 PolarHBondContact O-N 2.55Å; Q270-R273 VanDerWaalsContact OE1-NH2 3.09Å; P271-R273 PolarHBondContact O-N 3.36Å; P271-R273 VanDerWaalsContact O-N 3.16Å; R273-R275 PolarHBondContact O-N 2.89Å |
| 274 | N | 88.9 | Confident | 94.1 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | trans | -70.5 | 120.7 | 175.8 | -172.9 | 11.4 | 0 | 0 | 0 | 109.1 | P271 V276 | P271-N274 WeakPolarHBondContact O-CB 3.31Å; P271-N274 PolarHBondContact O-N 2.95Å; P271-N274 VanDerWaalsContact O-N 3.07Å; N274-V276 VanDerWaalsContact OD1-CB 3.28Å; N274-V276 WeakPolarHBondContact OD1-CB 3.39Å; N274-V276 WeakPolarHBondContact OD1-CG2 3.3Å; N274-V276 PolarHBondContact OD1-N 2.91Å; N274-V276 VanDerWaalsContact OD1-N 3.1Å | ||
| 275 | R | 89.8 | Confident | 94 | Very high | 223 Ų | 223 | 59.6 Ų | 59.6 | 84% | 0.842 | 28% | 0.275 | S | S | * | . | trans | -91.9 | -3.5 | 179.7 | -63.9 | -174.5 | 179.1 | -174.9 | -1 | 113.1 | R273 P277 | R273-R275 PolarHBondContact O-N 2.89Å; R275-P277 WeakPolarHBondContact O-CD 3.29Å | ||
| 276 | V | 91.3 | Very high | 93.9 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -74.7 | 123.8 | -179.1 | 171.6 | 0 | 0 | 0 | 0 | 109.4 | S138 F139 N274 T278 | S138-V276 WeakPolarHBondContact O-CG1 3.38Å; F139-V276 HydrophobicContact CB-CG1 4.5Å; F139-V276 HydrophobicContact CD1-CG1 4.15Å; F139-V276 HydrophobicContact CD2-CB 4.41Å; F139-V276 HydrophobicContact CD2-CG1 3.06Å; F139-V276 HydrophobicContact CE1-CG1 4.14Å; F139-V276 HydrophobicContact CE2-CB 4.16Å; F139-V276 HydrophobicContact CE2-CG1 3.04Å; F139-V276 HydrophobicContact CE2-CG2 4.02Å; F139-V276 HydrophobicContact CG-CG1 3.63Å; F139-V276 HydrophobicContact CZ-CG1 3.6Å; N274-V276 VanDerWaalsContact OD1-CB 3.28Å; N274-V276 WeakPolarHBondContact OD1-CB 3.39Å; N274-V276 WeakPolarHBondContact OD1-CG2 3.3Å; N274-V276 PolarHBondContact OD1-N 2.91Å; N274-V276 VanDerWaalsContact OD1-N 3.1Å; V276-T278 PolarHBondContact O-N 3.04Å; V276-T278 VanDerWaalsContact O-N 3.14Å; V276-T278 PolarHBondContact O-OG1 2.76Å |
| 277 | P | 92.6 | Very high | 93.6 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | trans | -53.8 | 121.1 | 171.9 | -25.8 | 35.6 | 0 | 0 | 0 | 110 | R275 E304 L305 | R275-P277 WeakPolarHBondContact O-CD 3.29Å; P277-E304 HydrophobicContact CB-CB 4.21Å; P277-L305 HydrophobicContact CB-CD1 4.11Å; P277-L305 HydrophobicContact CB-CD2 3.85Å; P277-L305 HydrophobicContact CB-CG 3.72Å; P277-L305 WeakPolarHBondContact O-CD1 3.4Å | ||
| 278 | T | 94.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | trans | -119.9 | 144 | -174.4 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | S138 F139 V276 L280 H303 E304 L305 | S138-T278 PolarHBondContact O-OG1 2.86Å; S138-T278 VanDerWaalsContact O-OG1 3.1Å; F139-T278 CarbonylContact O-C 2.95Å; F139-T278 WeakPolarHBondContact O-CA 3.47Å; V276-T278 PolarHBondContact O-N 3.04Å; V276-T278 VanDerWaalsContact O-N 3.14Å; V276-T278 PolarHBondContact O-OG1 2.76Å; T278-L280 HydrophobicContact CG2-CD2 3.89Å; T278-H303 CarbonylContact O-C 3.57Å; T278-H303 WeakPolarHBondContact O-CA 3.49Å; T278-E304 PolarHBondContact O-N 3.12Å; T278-L305 PolarHBondContact O-N 3.17Å | ||
| 279 | A | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110 | F139 A141 Y281 L305 G306 Y308 | F139-A279 PolarHBondContact O-N 2.66Å; A141-A279 PolarHBondContact N-O 3.07Å; A279-Y281 HydrophobicContact CB-CD2 4.38Å; A279-Y281 HydrophobicContact CB-CE2 3.51Å; A279-L305 HydrophobicContact CB-CB 3.59Å; A279-G306 CarbonylContact C-O 3.53Å; A279-G306 WeakPolarHBondContact CA-O 3.47Å; A279-Y308 HydrophobicContact CB-CD2 4.44Å; A279-Y308 HydrophobicContact CB-CE2 4.07Å |
| 280 | L | 97.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.3 | 172.4 | -54.4 | -173.8 | 0 | 0 | 0 | 110.7 | A141 P144 T278 W282 V294 L297 I298 H303 G306 L307 Y308 | A141-L280 HydrophobicContact CB-CD2 3.68Å; P144-L280 HydrophobicContact CG-CD2 4.29Å; T278-L280 HydrophobicContact CG2-CD2 3.89Å; L280-W282 HydrophobicContact CB-CE3 4.31Å; L280-W282 HydrophobicContact CB-CZ3 4.46Å; L280-V294 HydrophobicContact CD1-CG1 4.31Å; L280-L297 HydrophobicContact CD1-CD2 3.99Å; L280-L297 HydrophobicContact CD1-CG 4.23Å; L280-L297 HydrophobicContact CD2-CD2 4.26Å; L280-I298 HydrophobicContact CD1-CG1 3.77Å; L280-H303 WeakPolarHBondContact CD1-CE1 3.31Å; L280-H303 WeakPolarHBondContact CG-ND1 3.36Å; L280-G306 PolarHBondContact N-O 3Å; L280-L307 HydrophobicContact CB-CD2 3.87Å; L280-L307 HydrophobicContact CD1-CD2 4.06Å; L280-L307 HydrophobicContact CG-CD2 4.01Å; L280-Y308 PolarHBondContact O-N 3.24Å |
| 281 | Y | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.7 | 177.1 | -56.5 | -101.9 | 0 | 0 | 0 | 107.7 | H140 A141 F142 A143 A279 Y308 Y310 Q331 | H140-Y281 HydrophobicContact CB-CE2 3.94Å; H140-Y281 AromaticContact ND1-CE2 3.68Å; H140-Y281 AromaticContact ND1-CZ 3.81Å; H140-Y281 PolarHBondContact ND1-OH 3.49Å; A141-Y281 PolarHBondContact O-N 2.92Å; F142-Y281 HydrophobicContact CD1-CD1 4.31Å; F142-Y281 AromaticContact CD1-CD2 3.99Å; F142-Y281 HydrophobicContact CD1-CD2 3.99Å; F142-Y281 AromaticContact CD1-CG 3.66Å; F142-Y281 HydrophobicContact CD1-CG 3.66Å; F142-Y281 AromaticContact CE1-CD1 3.69Å; F142-Y281 HydrophobicContact CE1-CD1 3.69Å; F142-Y281 AromaticContact CE1-CD2 3.88Å; F142-Y281 HydrophobicContact CE1-CD2 3.88Å; F142-Y281 HydrophobicContact CE1-CE1 4.28Å; F142-Y281 HydrophobicContact CE1-CE2 4.45Å; F142-Y281 AromaticContact CE1-CG 3.48Å; F142-Y281 HydrophobicContact CE1-CG 3.48Å; F142-Y281 VanDerWaalsContact CE1-CG 3.48Å; A143-Y281 PolarHBondContact N-O 3.38Å; A279-Y281 HydrophobicContact CB-CD2 4.38Å; A279-Y281 HydrophobicContact CB-CE2 3.51Å; Y281-Y308 CarbonylContact C-O 3.58Å; Y281-Y308 VanDerWaalsContact CA-O 3.27Å; Y281-Y308 WeakPolarHBondContact CA-O 3.18Å; Y281-Y308 AromaticContact CD1-CD2 3.57Å; Y281-Y308 HydrophobicContact CD1-CD2 3.57Å; Y281-Y308 AromaticContact CD1-CG 3.88Å; Y281-Y308 HydrophobicContact CD1-CG 3.88Å; Y281-Y308 AromaticContact CE1-CD2 3.22Å; Y281-Y308 HydrophobicContact CE1-CD2 3.22Å; Y281-Y308 AromaticContact CE1-CE2 3.78Å; Y281-Y308 HydrophobicContact CE1-CE2 3.78Å; Y281-Y308 AromaticContact CE1-CG 3.81Å; Y281-Y308 HydrophobicContact CE1-CG 3.81Å; Y281-Y308 HydrophobicContact CE2-CD2 4.23Å; Y281-Y308 HydrophobicContact CG-CD2 4.2Å; Y281-Y308 AromaticContact CZ-CD2 3.58Å; Y281-Y308 AromaticContact CZ-CE2 3.81Å; Y281-Y310 HydrophobicContact CD1-CE2 4.07Å; Y281-Q331 HydrophobicContact CE1-CB 4.47Å; Y281-Q331 HydrophobicContact CE1-CG 4.09Å |
| 282 | W | 97.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150.5 | -177.9 | 75.1 | 99.9 | 0 | 0 | 0 | 113 | L280 V294 I298 L307 Y308 R309 Y310 | L280-W282 HydrophobicContact CB-CE3 4.31Å; L280-W282 HydrophobicContact CB-CZ3 4.46Å; W282-V294 HydrophobicContact CB-CB 4.44Å; W282-V294 HydrophobicContact CB-CG1 4.05Å; W282-V294 HydrophobicContact CB-CG2 3.93Å; W282-V294 HydrophobicContact CD2-CB 4.5Å; W282-V294 HydrophobicContact CD2-CG1 3.66Å; W282-V294 HydrophobicContact CE3-CG1 3.89Å; W282-V294 HydrophobicContact CG-CB 4.19Å; W282-V294 HydrophobicContact CG-CG1 3.74Å; W282-V294 HydrophobicContact CG-CG2 4.15Å; W282-I298 HydrophobicContact CH2-CD1 3.68Å; W282-I298 HydrophobicContact CZ2-CD1 4.12Å; W282-I298 HydrophobicContact CZ3-CD1 4Å; W282-L307 HydrophobicContact CH2-CB 4.13Å; W282-L307 HydrophobicContact CZ3-CB 3.96Å; W282-L307 HydrophobicContact CZ3-CD2 4.24Å; W282-Y308 PolarHBondContact N-O 2.77Å; W282-R309 HydrophobicContact CD2-CB 4.25Å; W282-R309 HydrophobicContact CD2-CG 4.42Å; W282-R309 HydrophobicContact CH2-CB 4Å; W282-R309 HydrophobicContact CZ2-CB 3.57Å; W282-R309 HydrophobicContact CZ2-CG 3.89Å; W282-R309 WeakPolarHBondContact O-CA 3.13Å; W282-Y310 PolarHBondContact O-N 2.91Å |
| 283 | G | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K285 D286 Y310 T313 | G283-K285 VanDerWaalsContact C-N 3.26Å; G283-K285 PolarHBondContact O-N 3.25Å; G283-D286 VanDerWaalsContact O-CB 3.28Å; G283-D286 WeakPolarHBondContact O-CB 3.48Å; G283-D286 PolarHBondContact O-N 3.3Å; G283-Y310 CarbonylContact C-O 3.53Å; G283-Y310 WeakPolarHBondContact CA-O 3.26Å; G283-T313 CarbonylContact C-O 3.37Å; G283-T313 WeakPolarHBondContact CA-O 3.49Å |
| 284 | A | 94.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 31.8 Ų | 31.8 | 24% | 0.24 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -21.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y310 | A284-Y310 PolarHBondContact N-O 3.26Š|
| 285 | K | 92 | Very high | 94.6 | Very high | 96 Ų | 96 | 34.1 Ų | 34.1 | 42% | 0.417 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7.3 | 174.6 | -60.8 | 179.4 | -171.1 | 169.3 | 0 | 112.3 | D210 G283 I287 D312 T313 | D210-K285 IonicContact OD2-NZ 3.63Å; D210-K285 PolarHBondContact OD2-NZ 3.49Å; G283-K285 VanDerWaalsContact C-N 3.26Å; G283-K285 PolarHBondContact O-N 3.25Å; K285-I287 PolarHBondContact O-N 3.01Å; K285-D312 WeakPolarHBondContact CE-OD1 3.25Å; K285-D312 IonicContact NZ-OD1 3.29Å; K285-D312 PolarHBondContact NZ-OD1 3.25Å; K285-T313 CarbonylContact C-O 3.59Å; K285-T313 WeakPolarHBondContact CA-O 3.49Å; K285-T313 WeakPolarHBondContact CB-O 3.42Å; K285-T313 PolarHBondContact N-O 3.15Å; K285-T313 VanDerWaalsContact N-O 3.08Å |
| 286 | D | 93.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | trans | -68.7 | 114.5 | 177.9 | -166.9 | -31.2 | 0 | 0 | 0 | 110 | A143 G283 L288 S289 T313 H315 | A143-D286 WeakPolarHBondContact CB-OD2 3.28Å; G283-D286 VanDerWaalsContact O-CB 3.28Å; G283-D286 WeakPolarHBondContact O-CB 3.48Å; G283-D286 PolarHBondContact O-N 3.3Å; D286-L288 WeakPolarHBondContact OD1-CA 3.33Å; D286-L288 PolarHBondContact OD1-N 3.16Å; D286-S289 PolarHBondContact OD1-N 3.03Å; D286-S289 WeakPolarHBondContact OD2-CB 3.4Å; D286-T313 PolarHBondContact N-O 3.12Å; D286-H315 WeakPolarHBondContact OD1-CB 2.95Å; D286-H315 IonicContact OD1-CG 3.64Å; D286-H315 IonicContact OD1-ND1 2.68Å; D286-H315 PolarHBondContact OD1-ND1 3.31Å; D286-H315 VanDerWaalsContact OD2-CA 3.26Å; D286-H315 WeakPolarHBondContact OD2-CA 3.41Å; D286-H315 IonicContact OD2-CE1 3.11Å; D286-H315 IonicContact OD2-CG 2.8Å; D286-H315 IonicContact OD2-ND1 2.74Å; D286-H315 PolarHBondContact OD2-ND1 3.27Å | ||
| 287 | I | 91.3 | Very high | 95.1 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 22% | 0.215 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -87.5 | -14.3 | 179.8 | 66.5 | 171.1 | 0 | 0 | 0 | 112.3 | T151 K152 T153 L204 G207 K285 | T151-I287 PolarHBondContact OG1-O 3.05Å; T151-I287 VanDerWaalsContact OG1-O 3.04Å; K152-I287 HydrophobicContact CB-CB 4.06Å; K152-I287 HydrophobicContact CB-CG2 4.46Å; K152-I287 PolarHBondContact N-O 3.22Å; T153-I287 PolarHBondContact N-O 3.09Å; L204-I287 WeakPolarHBondContact O-CD1 3.14Å; G207-I287 WeakPolarHBondContact O-CG1 3.25Å; K285-I287 PolarHBondContact O-N 3.01Å |
| 288 | L | 91.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 26 Ų | 26 | 7% | 0.073 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -95.3 | -59.6 | -179.7 | -174.3 | 55.9 | 0 | 0 | 0 | 110 | V145 L148 T151 T153 D286 D290 H315 | V145-L288 HydrophobicContact CG1-CG 4.22Å; L148-L288 HydrophobicContact CD2-CD1 4.05Å; L148-L288 HydrophobicContact CD2-CG 4.47Å; L148-L288 VanDerWaalsContact CD2-O 3.3Å; L148-L288 WeakPolarHBondContact CD2-O 3.46Å; T151-L288 WeakPolarHBondContact CB-O 3.45Å; T151-L288 VanDerWaalsContact OG1-CA 3.31Å; T151-L288 WeakPolarHBondContact OG1-CA 3.27Å; T151-L288 PolarHBondContact OG1-O 3.36Å; T153-L288 HydrophobicContact CG2-CD1 3.88Å; D286-L288 WeakPolarHBondContact OD1-CA 3.33Å; D286-L288 PolarHBondContact OD1-N 3.16Å; L288-D290 VanDerWaalsContact C-N 3.32Å; L288-D290 PolarHBondContact O-N 3.35Å; L288-H315 HydrophobicContact CB-CB 4.35Å |
| 289 | S | 94 | Very high | 95.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -88.5 | 66.8 | 171.3 | 166.4 | 0 | 0 | 0 | 0 | 109.8 | P144 D286 V294 | P144-S289 PolarHBondContact O-OG 3.04Å; D286-S289 PolarHBondContact OD1-N 3.03Å; D286-S289 WeakPolarHBondContact OD2-CB 3.4Å; S289-V294 VanDerWaalsContact OG-CG2 3.23Å; S289-V294 WeakPolarHBondContact OG-CG2 3.31Å |
| 290 | D | 94.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.064 | 18% | 0.18 | C | C | . | . | trans | -55.5 | 144.6 | -175.9 | -176.1 | -91 | 0 | 0 | 0 | 112.3 | H150 K152 L288 A292 D293 V294 | H150-D290 HydrophobicContact CB-CB 4.13Å; K152-D290 VanDerWaalsContact CE-OD2 3.25Å; K152-D290 WeakPolarHBondContact CE-OD2 3.5Å; K152-D290 IonicContact NZ-OD2 2.55Å; K152-D290 PolarHBondContact NZ-OD2 2.94Å; L288-D290 VanDerWaalsContact C-N 3.32Å; L288-D290 PolarHBondContact O-N 3.35Å; D290-A292 PolarHBondContact O-N 2.63Å; D290-A292 VanDerWaalsContact O-N 3.15Å; D290-A292 VanDerWaalsContact OD1-CB 3.23Å; D290-A292 WeakPolarHBondContact OD1-CB 3.27Å; D290-A292 PolarHBondContact OD1-N 2.76Å; D290-D293 WeakPolarHBondContact O-CA 3.34Å; D290-D293 WeakPolarHBondContact O-CB 3.5Å; D290-D293 PolarHBondContact O-N 3.02Å; D290-V294 PolarHBondContact O-N 3.28Å | ||
| 291 | E | 96.1 | Very high | 95 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.4 | -32.7 | -177.3 | -179.4 | 170.4 | 171.9 | 0 | 0 | 113.2 | D293 K295 R309 | E291-D293 VanDerWaalsContact C-N 3.35Å; E291-K295 HydrophobicContact CG-CD 4.02Å; E291-K295 HydrophobicContact CG-CG 4.39Å; E291-K295 VanDerWaalsContact O-CB 3.29Å; E291-K295 WeakPolarHBondContact O-CB 3Å; E291-K295 VanDerWaalsContact O-CG 3.28Å; E291-K295 WeakPolarHBondContact O-CG 3.44Å; E291-K295 PolarHBondContact O-N 3.29Å; E291-K295 WeakPolarHBondContact OE1-CE 3.5Å; E291-K295 IonicContact OE1-NZ 2.95Å; E291-K295 PolarHBondContact OE1-NZ 3.17Å; E291-R309 IonicContact OE1-CZ 3.94Å; E291-R309 IonicContact OE1-NE 3.63Å; E291-R309 PolarHBondContact OE1-NE 3.13Å; E291-R309 IonicContact OE2-CZ 2.66Å; E291-R309 IonicContact OE2-NE 3.13Å; E291-R309 PolarHBondContact OE2-NE 3.08Å; E291-R309 IonicContact OE2-NH2 3.24Å; E291-R309 PolarHBondContact OE2-NH2 3.27Å; E291-R309 VanDerWaalsContact OE2-NH2 3.13Å |
| 292 | A | 96.9 | Very high | 94.6 | Very high | 42 Ų | 42 | 43 Ų | 43 | 35% | 0.347 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H150 D290 K295 R296 | H150-A292 HydrophobicContact CB-CB 4.11Å; D290-A292 PolarHBondContact O-N 2.63Å; D290-A292 VanDerWaalsContact O-N 3.15Å; D290-A292 VanDerWaalsContact OD1-CB 3.23Å; D290-A292 WeakPolarHBondContact OD1-CB 3.27Å; D290-A292 PolarHBondContact OD1-N 2.76Å; A292-K295 PolarHBondContact O-N 2.97Å; A292-R296 PolarHBondContact O-N 3.22Å |
| 293 | D | 96.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.9 | -41.8 | 178 | -74.4 | -27.9 | 0 | 0 | 0 | 110.8 | F147 L148 G149 H150 T151 D290 E291 R296 L297 | F147-D293 HydrophobicContact CB-CB 3.78Å; F147-D293 WeakPolarHBondContact O-CB 3.33Å; L148-D293 WeakPolarHBondContact CA-OD2 3.45Å; G149-D293 PolarHBondContact N-OD2 3.38Å; H150-D293 WeakPolarHBondContact CA-OD2 3.42Å; H150-D293 WeakPolarHBondContact CB-OD2 3.12Å; H150-D293 IonicContact CE1-OD1 2.67Å; H150-D293 IonicContact CG-OD1 3.56Å; H150-D293 PolarHBondContact N-OD1 2.97Å; H150-D293 PolarHBondContact N-OD2 3.12Å; H150-D293 IonicContact ND1-OD1 2.84Å; H150-D293 PolarHBondContact ND1-OD1 3.08Å; T151-D293 PolarHBondContact N-OD2 3.28Å; D290-D293 WeakPolarHBondContact O-CA 3.34Å; D290-D293 WeakPolarHBondContact O-CB 3.5Å; D290-D293 PolarHBondContact O-N 3.02Å; E291-D293 VanDerWaalsContact C-N 3.35Å; D293-R296 WeakPolarHBondContact O-CB 3.44Å; D293-R296 PolarHBondContact O-N 3.13Å; D293-L297 PolarHBondContact O-N 3.3Å |
| 294 | V | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | P144 L280 W282 S289 D290 R296 L297 I298 | P144-V294 HydrophobicContact CG-CG1 4.37Å; P144-V294 HydrophobicContact CG-CG2 4.18Å; L280-V294 HydrophobicContact CD1-CG1 4.31Å; W282-V294 HydrophobicContact CB-CB 4.44Å; W282-V294 HydrophobicContact CB-CG1 4.05Å; W282-V294 HydrophobicContact CB-CG2 3.93Å; W282-V294 HydrophobicContact CD2-CB 4.5Å; W282-V294 HydrophobicContact CD2-CG1 3.66Å; W282-V294 HydrophobicContact CE3-CG1 3.89Å; W282-V294 HydrophobicContact CG-CB 4.19Å; W282-V294 HydrophobicContact CG-CG1 3.74Å; W282-V294 HydrophobicContact CG-CG2 4.15Å; S289-V294 VanDerWaalsContact OG-CG2 3.23Å; S289-V294 WeakPolarHBondContact OG-CG2 3.31Å; D290-V294 PolarHBondContact O-N 3.28Å; V294-R296 PolarHBondContact O-N 3.38Å; V294-L297 WeakPolarHBondContact O-CB 3.44Å; V294-L297 PolarHBondContact O-N 3.08Å; V294-L297 VanDerWaalsContact O-N 3.07Å; V294-I298 HydrophobicContact CG1-CD1 4.15Å; V294-I298 HydrophobicContact CG1-CG1 4.46Å; V294-I298 WeakPolarHBondContact O-CG1 3.43Å; V294-I298 PolarHBondContact O-N 3.41Å |
| 295 | K | 96.9 | Very high | 93.8 | Very high | 101 Ų | 101 | 49.7 Ų | 49.7 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.1 | -30.6 | 175.9 | -80.6 | 172.9 | 167.8 | 162.8 | 0 | 112.6 | E291 A292 K299 | E291-K295 HydrophobicContact CG-CD 4.02Å; E291-K295 HydrophobicContact CG-CG 4.39Å; E291-K295 VanDerWaalsContact O-CB 3.29Å; E291-K295 WeakPolarHBondContact O-CB 3Å; E291-K295 VanDerWaalsContact O-CG 3.28Å; E291-K295 WeakPolarHBondContact O-CG 3.44Å; E291-K295 PolarHBondContact O-N 3.29Å; E291-K295 WeakPolarHBondContact OE1-CE 3.5Å; E291-K295 IonicContact OE1-NZ 2.95Å; E291-K295 PolarHBondContact OE1-NZ 3.17Å; A292-K295 PolarHBondContact O-N 2.97Å; K295-K299 WeakPolarHBondContact O-CG 3.31Å; K295-K299 PolarHBondContact O-N 2.73Å |
| 296 | R | 95.9 | Very high | 94 | Very high | 86 Ų | 86 | 46 Ų | 46 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.5 | -45.3 | 172.3 | -176.7 | 180 | 175.3 | -169.1 | -4.6 | 111 | F147 D245 A292 D293 V294 I298 K299 | F147-R296 VanDerWaalsContact CD1-CZ 3.47Å; F147-R296 VanDerWaalsContact CD1-NH1 3.32Å; F147-R296 HydrophobicContact CD2-CB 4.12Å; F147-R296 HydrophobicContact CD2-CG 3.98Å; F147-R296 HydrophobicContact CE2-CB 4.31Å; F147-R296 HydrophobicContact CE2-CG 3.8Å; F147-R296 HydrophobicContact CZ-CG 4.18Å; D245-R296 PolarHBondContact O-NH1 3.15Å; D245-R296 PolarHBondContact O-NH2 2.83Å; D245-R296 IonicContact OD1-NH1 3.7Å; D245-R296 PolarHBondContact OD1-NH1 3.28Å; D245-R296 IonicContact OD2-NH1 3.94Å; D245-R296 PolarHBondContact OD2-NH1 2.81Å; A292-R296 PolarHBondContact O-N 3.22Å; D293-R296 WeakPolarHBondContact O-CB 3.44Å; D293-R296 PolarHBondContact O-N 3.13Å; V294-R296 PolarHBondContact O-N 3.38Å; R296-I298 VanDerWaalsContact C-N 3.31Å; R296-I298 PolarHBondContact O-N 3.45Å; R296-K299 PolarHBondContact O-N 2.68Å |
| 297 | L | 95.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -45 | 174.2 | -179.1 | 60.8 | 0 | 0 | 0 | 111.2 | P144 A146 F147 P271 L280 D293 V294 K299 I300 S301 | P144-L297 HydrophobicContact CB-CD2 4.04Å; P144-L297 HydrophobicContact CG-CD2 4.22Å; A146-L297 HydrophobicContact CB-CD1 4.06Å; A146-L297 HydrophobicContact CB-CD2 3.92Å; A146-L297 HydrophobicContact CB-CG 4.43Å; F147-L297 HydrophobicContact CD2-CB 4.36Å; F147-L297 HydrophobicContact CE2-CB 4.32Å; P271-L297 HydrophobicContact CB-CD1 4.25Å; P271-L297 HydrophobicContact CG-CD1 4.23Å; L280-L297 HydrophobicContact CD1-CD2 3.99Å; L280-L297 HydrophobicContact CD1-CG 4.23Å; L280-L297 HydrophobicContact CD2-CD2 4.26Å; D293-L297 PolarHBondContact O-N 3.3Å; V294-L297 WeakPolarHBondContact O-CB 3.44Å; V294-L297 PolarHBondContact O-N 3.08Å; V294-L297 VanDerWaalsContact O-N 3.07Å; L297-K299 PolarHBondContact O-N 3.28Å; L297-K299 VanDerWaalsContact O-N 3.12Å; L297-I300 HydrophobicContact CD1-CG1 4.42Å; L297-I300 WeakPolarHBondContact O-CG1 3.17Å; L297-I300 PolarHBondContact O-N 3.48Å; L297-S301 PolarHBondContact O-N 3.07Å; L297-S301 PolarHBondContact O-OG 2.91Å |
| 298 | I | 96.2 | Very high | 94.5 | Very high | 43 Ų | 43 | 50 Ų | 50 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52 | -39.2 | 178 | -70.7 | 168.9 | 0 | 0 | 0 | 112.3 | L280 W282 V294 R296 I300 H303 L307 | L280-I298 HydrophobicContact CD1-CG1 3.77Å; W282-I298 HydrophobicContact CH2-CD1 3.68Å; W282-I298 HydrophobicContact CZ2-CD1 4.12Å; W282-I298 HydrophobicContact CZ3-CD1 4Å; V294-I298 HydrophobicContact CG1-CD1 4.15Å; V294-I298 HydrophobicContact CG1-CG1 4.46Å; V294-I298 WeakPolarHBondContact O-CG1 3.43Å; V294-I298 PolarHBondContact O-N 3.41Å; R296-I298 VanDerWaalsContact C-N 3.31Å; R296-I298 PolarHBondContact O-N 3.45Å; I298-I300 VanDerWaalsContact C-N 3.29Å; I298-I300 PolarHBondContact O-N 3.13Å; I298-H303 WeakPolarHBondContact CA-NE2 3.33Å; I298-H303 PolarHBondContact O-NE2 3.39Å; I298-L307 HydrophobicContact CD1-CD1 4.15Å; I298-L307 HydrophobicContact CD1-CD2 3.96Å; I298-L307 HydrophobicContact CG1-CD1 4.28Å; I298-L307 HydrophobicContact CG1-CD2 3.79Å; I298-L307 HydrophobicContact CG2-CD1 3.83Å |
| 299 | K | 95.9 | Very high | 94.8 | Very high | 177 Ų | 177 | 53.9 Ų | 53.9 | 77% | 0.77 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -72.5 | -19 | -177.5 | -69.7 | 172.8 | -176.9 | 179.3 | 0 | 114.2 | K295 R296 L297 | K295-K299 WeakPolarHBondContact O-CG 3.31Å; K295-K299 PolarHBondContact O-N 2.73Å; R296-K299 PolarHBondContact O-N 2.68Å; L297-K299 PolarHBondContact O-N 3.28Å; L297-K299 VanDerWaalsContact O-N 3.12Å |
| 300 | I | 93.7 | Very high | 94.9 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 33% | 0.328 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -120.6 | 4.5 | -170.2 | 67.9 | 165.8 | 0 | 0 | 0 | 113.7 | F147 P271 Q272 L297 I298 | F147-I300 HydrophobicContact CE2-CD1 3.74Å; F147-I300 HydrophobicContact CZ-CD1 3.56Å; P271-I300 HydrophobicContact CG-CD1 3.58Å; P271-I300 HydrophobicContact CG-CG1 3.92Å; Q272-I300 VanDerWaalsContact CA-O 3.3Å; Q272-I300 WeakPolarHBondContact CA-O 3.31Å; Q272-I300 VanDerWaalsContact CB-O 3.24Å; Q272-I300 WeakPolarHBondContact CB-O 3.45Å; Q272-I300 PolarHBondContact N-O 3.19Å; L297-I300 HydrophobicContact CD1-CG1 4.42Å; L297-I300 WeakPolarHBondContact O-CG1 3.17Å; L297-I300 PolarHBondContact O-N 3.48Å; I298-I300 VanDerWaalsContact C-N 3.29Å; I298-I300 PolarHBondContact O-N 3.13Å |
| 301 | S | 92.5 | Very high | 94.8 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -138.4 | 166.7 | 179 | 55.9 | 0 | 0 | 0 | 0 | 112 | L297 H303 | L297-S301 PolarHBondContact O-N 3.07Å; L297-S301 PolarHBondContact O-OG 2.91Å; S301-H303 PolarHBondContact O-CD2 3.05Å; S301-H303 VanDerWaalsContact O-CD2 3.24Å; S301-H303 PolarHBondContact O-NE2 3.22Å; S301-H303 VanDerWaalsContact O-NE2 3.08Å; S301-H303 PolarHBondContact OG-CE1 3.36Å; S301-H303 PolarHBondContact OG-NE2 2.79Å |
| 302 | Q | 89.9 | Confident | 94.6 | Very high | 101 Ų | 101 | 63.1 Ų | 63.1 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | trans | -94 | 137.6 | -178.8 | -64.1 | 179.8 | -41.6 | 0 | 0 | 110 | ||||
| 303 | H | 88.9 | Confident | 94.4 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | trans | -130.1 | 49.7 | -172.8 | -55.2 | -65.4 | 0 | 0 | 0 | 111.8 | T278 L280 I298 S301 L305 G306 L307 | T278-H303 CarbonylContact O-C 3.57Å; T278-H303 WeakPolarHBondContact O-CA 3.49Å; L280-H303 WeakPolarHBondContact CD1-CE1 3.31Å; L280-H303 WeakPolarHBondContact CG-ND1 3.36Å; I298-H303 WeakPolarHBondContact CA-NE2 3.33Å; I298-H303 PolarHBondContact O-NE2 3.39Å; S301-H303 PolarHBondContact O-CD2 3.05Å; S301-H303 VanDerWaalsContact O-CD2 3.24Å; S301-H303 PolarHBondContact O-NE2 3.22Å; S301-H303 VanDerWaalsContact O-NE2 3.08Å; S301-H303 PolarHBondContact OG-CE1 3.36Å; S301-H303 PolarHBondContact OG-NE2 2.79Å; H303-L305 PolarHBondContact O-N 2.92Å; H303-L305 VanDerWaalsContact O-N 3.16Å; H303-G306 PolarHBondContact O-N 3.22Å; H303-L307 HydrophobicContact CB-CD2 3.74Å; H303-L307 HydrophobicContact CB-CG 4.01Å | ||
| 304 | E | 89.7 | Confident | 94.1 | Very high | 131 Ų | 131 | 61.2 Ų | 61.2 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.4 | -173 | -65.2 | 179.2 | -156.2 | 0 | 0 | 113.4 | P277 T278 | P277-E304 HydrophobicContact CB-CB 4.21Å; T278-E304 PolarHBondContact O-N 3.12Å |
| 305 | L | 92.4 | Very high | 94 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -12.5 | 178.8 | -57 | -179.4 | 0 | 0 | 0 | 113.3 | P277 T278 A279 H303 Y308 V335 L339 | P277-L305 HydrophobicContact CB-CD1 4.11Å; P277-L305 HydrophobicContact CB-CD2 3.85Å; P277-L305 HydrophobicContact CB-CG 3.72Å; P277-L305 WeakPolarHBondContact O-CD1 3.4Å; T278-L305 PolarHBondContact O-N 3.17Å; A279-L305 HydrophobicContact CB-CB 3.59Å; H303-L305 PolarHBondContact O-N 2.92Å; H303-L305 VanDerWaalsContact O-N 3.16Å; L305-Y308 PolarHBondContact O-OH 3.22Å; L305-V335 HydrophobicContact CB-CG1 4.21Å; L305-L339 HydrophobicContact CD2-CD1 4.42Å; L305-L339 HydrophobicContact CD2-CD2 3.9Å |
| 306 | G | 95.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.1 | 171.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | A279 L280 H303 | A279-G306 CarbonylContact C-O 3.53Å; A279-G306 WeakPolarHBondContact CA-O 3.47Å; L280-G306 PolarHBondContact N-O 3Å; H303-G306 PolarHBondContact O-N 3.22Å |
| 307 | L | 97.7 | Very high | 93.7 | Very high | 78 Ų | 78 | 53.5 Ų | 53.5 | 41% | 0.408 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.2 | 179.9 | -66.1 | 175.5 | 0 | 0 | 0 | 109.1 | L280 W282 I298 H303 | L280-L307 HydrophobicContact CB-CD2 3.87Å; L280-L307 HydrophobicContact CD1-CD2 4.06Å; L280-L307 HydrophobicContact CG-CD2 4.01Å; W282-L307 HydrophobicContact CH2-CB 4.13Å; W282-L307 HydrophobicContact CZ3-CB 3.96Å; W282-L307 HydrophobicContact CZ3-CD2 4.24Å; I298-L307 HydrophobicContact CD1-CD1 4.15Å; I298-L307 HydrophobicContact CD1-CD2 3.96Å; I298-L307 HydrophobicContact CG1-CD1 4.28Å; I298-L307 HydrophobicContact CG1-CD2 3.79Å; I298-L307 HydrophobicContact CG2-CD1 3.83Å; H303-L307 HydrophobicContact CB-CD2 3.74Å; H303-L307 HydrophobicContact CB-CG 4.01Å |
| 308 | Y | 97.9 | Very high | 93.7 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 109.4 | -172 | -55.2 | -74.5 | 0 | 0 | 0 | 111.1 | A279 L280 Y281 W282 L305 Q331 V335 | A279-Y308 HydrophobicContact CB-CD2 4.44Å; A279-Y308 HydrophobicContact CB-CE2 4.07Å; L280-Y308 PolarHBondContact O-N 3.24Å; Y281-Y308 CarbonylContact C-O 3.58Å; Y281-Y308 VanDerWaalsContact CA-O 3.27Å; Y281-Y308 WeakPolarHBondContact CA-O 3.18Å; Y281-Y308 AromaticContact CD1-CD2 3.57Å; Y281-Y308 HydrophobicContact CD1-CD2 3.57Å; Y281-Y308 AromaticContact CD1-CG 3.88Å; Y281-Y308 HydrophobicContact CD1-CG 3.88Å; Y281-Y308 AromaticContact CE1-CD2 3.22Å; Y281-Y308 HydrophobicContact CE1-CD2 3.22Å; Y281-Y308 AromaticContact CE1-CE2 3.78Å; Y281-Y308 HydrophobicContact CE1-CE2 3.78Å; Y281-Y308 AromaticContact CE1-CG 3.81Å; Y281-Y308 HydrophobicContact CE1-CG 3.81Å; Y281-Y308 HydrophobicContact CE2-CD2 4.23Å; Y281-Y308 HydrophobicContact CG-CD2 4.2Å; Y281-Y308 AromaticContact CZ-CD2 3.58Å; Y281-Y308 AromaticContact CZ-CE2 3.81Å; W282-Y308 PolarHBondContact N-O 2.77Å; L305-Y308 PolarHBondContact O-OH 3.22Å; Y308-Q331 HydrophobicContact CD1-CG 3.66Å; Y308-Q331 HydrophobicContact CD2-CG 4.37Å; Y308-Q331 HydrophobicContact CE1-CG 3.64Å; Y308-Q331 HydrophobicContact CE2-CG 4.33Å; Y308-Q331 HydrophobicContact CG-CG 4.03Å; Y308-Q331 PolarHBondContact OH-NE2 3.25Å; Y308-V335 HydrophobicContact CE2-CG2 4.18Å; Y308-V335 VanDerWaalsContact OH-CG2 3.26Å; Y308-V335 WeakPolarHBondContact OH-CG2 3.09Å |
| 309 | R | 97.8 | Very high | 93.6 | Very high | 95 Ų | 95 | 50.8 Ų | 50.8 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135.3 | 178.4 | -173.4 | 169.1 | 167 | -77.1 | -6 | 110.8 | W282 E291 E311 | W282-R309 HydrophobicContact CD2-CB 4.25Å; W282-R309 HydrophobicContact CD2-CG 4.42Å; W282-R309 HydrophobicContact CH2-CB 4Å; W282-R309 HydrophobicContact CZ2-CB 3.57Å; W282-R309 HydrophobicContact CZ2-CG 3.89Å; W282-R309 WeakPolarHBondContact O-CA 3.13Å; E291-R309 IonicContact OE1-CZ 3.94Å; E291-R309 IonicContact OE1-NE 3.63Å; E291-R309 PolarHBondContact OE1-NE 3.13Å; E291-R309 IonicContact OE2-CZ 2.66Å; E291-R309 IonicContact OE2-NE 3.13Å; E291-R309 PolarHBondContact OE2-NE 3.08Å; E291-R309 IonicContact OE2-NH2 3.24Å; E291-R309 PolarHBondContact OE2-NH2 3.27Å; E291-R309 VanDerWaalsContact OE2-NH2 3.13Å; R309-E311 IonicContact CZ-OE1 3.77Å; R309-E311 IonicContact CZ-OE2 2.97Å; R309-E311 VanDerWaalsContact CZ-OE2 3.24Å; R309-E311 IonicContact NH1-OE1 2.82Å; R309-E311 PolarHBondContact NH1-OE1 2.95Å; R309-E311 IonicContact NH1-OE2 3.63Å; R309-E311 PolarHBondContact NH1-OE2 3Å; R309-E311 IonicContact NH2-OE1 3.45Å; R309-E311 IonicContact NH2-OE2 2.94Å; R309-E311 PolarHBondContact NH2-OE2 2.83Å |
| 310 | Y | 96.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 14% | 0.141 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.1 | 179.4 | -59.1 | -89.5 | 0 | 0 | 0 | 110.2 | Y281 W282 G283 A284 T313 F318 A328 | Y281-Y310 HydrophobicContact CD1-CE2 4.07Å; W282-Y310 PolarHBondContact O-N 2.91Å; G283-Y310 CarbonylContact C-O 3.53Å; G283-Y310 WeakPolarHBondContact CA-O 3.26Å; A284-Y310 PolarHBondContact N-O 3.26Å; Y310-T313 WeakPolarHBondContact CB-OG1 3.39Å; Y310-F318 HydrophobicContact CD2-CE1 4.03Å; Y310-F318 HydrophobicContact CD2-CZ 4.01Å; Y310-F318 HydrophobicContact CE2-CE1 4.2Å; Y310-A328 HydrophobicContact CE1-CB 4.28Å; Y310-A328 HydrophobicContact CE2-CB 4.24Å; Y310-A328 WeakPolarHBondContact OH-CA 3.44Å |
| 311 | E | 93.2 | Very high | 93.5 | Very high | 109 Ų | 109 | 39.8 Ų | 39.8 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -47.7 | -173.1 | -64.3 | -70.2 | -178.7 | 0 | 0 | 112.9 | R309 T313 | R309-E311 IonicContact CZ-OE1 3.77Å; R309-E311 IonicContact CZ-OE2 2.97Å; R309-E311 VanDerWaalsContact CZ-OE2 3.24Å; R309-E311 IonicContact NH1-OE1 2.82Å; R309-E311 PolarHBondContact NH1-OE1 2.95Å; R309-E311 IonicContact NH1-OE2 3.63Å; R309-E311 PolarHBondContact NH1-OE2 3Å; R309-E311 IonicContact NH2-OE1 3.45Å; R309-E311 IonicContact NH2-OE2 2.94Å; R309-E311 PolarHBondContact NH2-OE2 2.83Å; E311-T313 PolarHBondContact O-N 2.88Å |
| 312 | D | 90 | Very high | 93.4 | Very high | 93 Ų | 93 | 41.2 Ų | 41.2 | 50% | 0.497 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 58.5 | -174.5 | -61.3 | -61.3 | 0 | 0 | 0 | 110.9 | K285 | K285-D312 WeakPolarHBondContact CE-OD1 3.25Å; K285-D312 IonicContact NZ-OD1 3.29Å; K285-D312 PolarHBondContact NZ-OD1 3.25Å |
| 313 | T | 92.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | trans | -144.4 | 124.3 | -175.4 | -60.4 | 0 | 0 | 0 | 0 | 110 | G283 K285 D286 Y310 E311 D317 F318 M324 | G283-T313 CarbonylContact C-O 3.37Å; G283-T313 WeakPolarHBondContact CA-O 3.49Å; K285-T313 CarbonylContact C-O 3.59Å; K285-T313 WeakPolarHBondContact CA-O 3.49Å; K285-T313 WeakPolarHBondContact CB-O 3.42Å; K285-T313 PolarHBondContact N-O 3.15Å; K285-T313 VanDerWaalsContact N-O 3.08Å; D286-T313 PolarHBondContact N-O 3.12Å; Y310-T313 WeakPolarHBondContact CB-OG1 3.39Å; E311-T313 PolarHBondContact O-N 2.88Å; T313-D317 WeakPolarHBondContact CA-OD2 3.17Å; T313-D317 HydrophobicContact CG2-CB 3.82Å; T313-F318 HydrophobicContact CG2-CD2 3.97Å; T313-F318 HydrophobicContact CG2-CE1 4.33Å; T313-F318 HydrophobicContact CG2-CE2 3.54Å; T313-F318 HydrophobicContact CG2-CZ 3.74Å; T313-M324 HydrophobicContact CG2-CE 3.96Å | ||
| 314 | G | 92 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | trans | -94.1 | -174 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D317 | G314-D317 PolarHBondContact N-OD2 2.99Š| ||
| 315 | H | 94.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -52.6 | -174.2 | -162.2 | 67.4 | 0 | 0 | 0 | 112.7 | H130 S131 A143 G207 G208 D286 L288 D317 | H130-H315 AromaticContact CE1-NE2 3.94Å; H130-H315 AromaticContact NE2-CD2 3.96Å; H130-H315 AromaticContact NE2-NE2 3.89Å; H130-H315 PolarHBondContact NE2-O 3.05Å; S131-H315 WeakPolarHBondContact CB-NE2 3.11Å; S131-H315 PolarHBondContact OG-CE1 2.93Å; S131-H315 PolarHBondContact OG-NE2 2.89Å; A143-H315 WeakPolarHBondContact CB-ND1 3.36Å; G207-H315 WeakPolarHBondContact O-CB 3.2Å; G208-H315 PolarHBondContact O-N 3.25Å; D286-H315 WeakPolarHBondContact OD1-CB 2.95Å; D286-H315 IonicContact OD1-CG 3.64Å; D286-H315 IonicContact OD1-ND1 2.68Å; D286-H315 PolarHBondContact OD1-ND1 3.31Å; D286-H315 VanDerWaalsContact OD2-CA 3.26Å; D286-H315 WeakPolarHBondContact OD2-CA 3.41Å; D286-H315 IonicContact OD2-CE1 3.11Å; D286-H315 IonicContact OD2-CG 2.8Å; D286-H315 IonicContact OD2-ND1 2.74Å; D286-H315 PolarHBondContact OD2-ND1 3.27Å; L288-H315 HydrophobicContact CB-CB 4.35Å; H315-D317 PolarHBondContact O-N 3.46Å |
| 316 | L | 92.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12.2 | -173.4 | -65.1 | 167.6 | 0 | 0 | 0 | 112.7 | I203 G208 F318 M319 W320 | I203-L316 HydrophobicContact CG2-CD1 3.29Å; G208-L316 PolarHBondContact O-N 3.33Å; G208-L316 VanDerWaalsContact O-N 3.15Å; L316-F318 PolarHBondContact O-N 3.14Å; L316-M319 PolarHBondContact O-N 2.94Å; L316-M319 VanDerWaalsContact O-N 3.08Å; L316-W320 HydrophobicContact CB-CD2 4.38Å; L316-W320 HydrophobicContact CB-CE3 3.93Å; L316-W320 HydrophobicContact CB-CZ3 4.2Å; L316-W320 HydrophobicContact CD1-CE3 4.25Å; L316-W320 HydrophobicContact CD1-CH2 4.11Å; L316-W320 HydrophobicContact CD1-CZ3 3.68Å; L316-W320 HydrophobicContact CD2-CH2 4.09Å; L316-W320 HydrophobicContact CD2-CZ2 4.32Å; L316-W320 HydrophobicContact CD2-CZ3 4.25Å; L316-W320 HydrophobicContact CG-CE3 4.49Å; L316-W320 HydrophobicContact CG-CZ3 4.27Å; L316-W320 PolarHBondContact O-N 3.42Å |
| 317 | D | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -37 | 176.3 | -71.1 | -24.7 | 0 | 0 | 0 | 110.7 | D210 T313 G314 H315 M319 W320 G321 M324 | D210-D317 WeakPolarHBondContact CB-OD2 3.04Å; D210-D317 PolarHBondContact N-OD1 3.18Å; D210-D317 PolarHBondContact N-OD2 2.91Å; D210-D317 VanDerWaalsContact N-OD2 3.17Å; T313-D317 WeakPolarHBondContact CA-OD2 3.17Å; T313-D317 HydrophobicContact CG2-CB 3.82Å; G314-D317 PolarHBondContact N-OD2 2.99Å; H315-D317 PolarHBondContact O-N 3.46Å; D317-M319 PolarHBondContact O-N 3.41Å; D317-W320 PolarHBondContact O-N 2.87Å; D317-G321 VanDerWaalsContact O-CA 3.25Å; D317-G321 WeakPolarHBondContact O-CA 3.48Å; D317-G321 PolarHBondContact O-N 3.15Å; D317-M324 HydrophobicContact CB-CE 4.34Å; D317-M324 WeakPolarHBondContact O-CG 3.44Å |
| 318 | F | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -11.7 | 176.2 | -74.1 | -75.9 | 0 | 0 | 0 | 115.3 | F142 A143 Y310 T313 L316 M324 A328 Y329 | F142-F318 HydrophobicContact CB-CB 4.1Å; F142-F318 HydrophobicContact CB-CD1 3.99Å; F142-F318 HydrophobicContact CB-CG 4.08Å; F142-F318 AromaticContact CD1-CD1 3.31Å; F142-F318 HydrophobicContact CD1-CD1 3.31Å; F142-F318 AromaticContact CD1-CE1 3.66Å; F142-F318 HydrophobicContact CD1-CE1 3.66Å; F142-F318 HydrophobicContact CD1-CG 4.23Å; F142-F318 HydrophobicContact CE1-CD1 4.02Å; F142-F318 HydrophobicContact CE1-CE1 4.28Å; F142-F318 HydrophobicContact CG-CB 4.41Å; F142-F318 AromaticContact CG-CD1 3.85Å; F142-F318 HydrophobicContact CG-CD1 3.85Å; F142-F318 HydrophobicContact CG-CG 4.37Å; A143-F318 HydrophobicContact CB-CD2 3.72Å; A143-F318 HydrophobicContact CB-CE2 3.98Å; Y310-F318 HydrophobicContact CD2-CE1 4.03Å; Y310-F318 HydrophobicContact CD2-CZ 4.01Å; Y310-F318 HydrophobicContact CE2-CE1 4.2Å; T313-F318 HydrophobicContact CG2-CD2 3.97Å; T313-F318 HydrophobicContact CG2-CE1 4.33Å; T313-F318 HydrophobicContact CG2-CE2 3.54Å; T313-F318 HydrophobicContact CG2-CZ 3.74Å; L316-F318 PolarHBondContact O-N 3.14Å; F318-M324 HydrophobicContact CD1-SD 4.17Å; F318-A328 HydrophobicContact CD1-CB 4.06Å; F318-A328 HydrophobicContact CE1-CB 4.03Å; F318-Y329 VanDerWaalsContact O-CE1 3.31Å; F318-Y329 WeakPolarHBondContact O-CE1 3.08Å; F318-Y329 PolarHBondContact O-OH 3.4Å |
| 319 | M | 94.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -115 | -44.3 | 174.9 | -59.5 | -66 | -68.8 | 0 | 0 | 111.3 | D51 W52 H130 L316 D317 Y329 | D51-M319 HydrophobicContact CB-CE 3.18Å; W52-M319 HydrophobicContact CD2-CE 3.45Å; W52-M319 VanDerWaalsContact CD2-CE 3.45Å; W52-M319 HydrophobicContact CD2-SD 3.96Å; W52-M319 HydrophobicContact CE3-CE 3.62Å; W52-M319 HydrophobicContact CE3-SD 3.59Å; W52-M319 VanDerWaalsContact CE3-SD 3.59Å; W52-M319 HydrophobicContact CG-CE 3.97Å; W52-M319 HydrophobicContact CH2-CE 4.1Å; W52-M319 HydrophobicContact CH2-SD 3.35Å; W52-M319 WeakPolarHBondContact CH2-SD 3.45Å; W52-M319 HydrophobicContact CZ2-CE 3.93Å; W52-M319 HydrophobicContact CZ2-SD 3.72Å; W52-M319 HydrophobicContact CZ3-CE 3.94Å; W52-M319 HydrophobicContact CZ3-SD 3.26Å; W52-M319 WeakPolarHBondContact CZ3-SD 3.41Å; H130-M319 HydrophobicContact CB-CG 4.3Å; H130-M319 HydrophobicContact CB-SD 3.59Å; H130-M319 VanDerWaalsContact CB-SD 3.59Å; L316-M319 PolarHBondContact O-N 2.94Å; L316-M319 VanDerWaalsContact O-N 3.08Å; D317-M319 PolarHBondContact O-N 3.41Å; M319-Y329 WeakPolarHBondContact CA-OH 3.44Å; M319-Y329 PolarHBondContact O-OH 3.27Å |
| 320 | W | 92.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 4% | 0.038 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -110.8 | -10 | -166.6 | -54.6 | -18.8 | 0 | 0 | 0 | 114.3 | D51 N55 I203 Y222 L316 D317 | D51-W320 PolarHBondContact OD1-NE1 3.2Å; N55-W320 PolarHBondContact ND2-O 3.36Å; I203-W320 HydrophobicContact CD1-CZ3 4.24Å; I203-W320 HydrophobicContact CG2-CZ3 3.77Å; Y222-W320 HydrophobicContact CD2-CD2 4.5Å; Y222-W320 HydrophobicContact CD2-CE3 4.23Å; Y222-W320 HydrophobicContact CG-CD2 4.36Å; Y222-W320 HydrophobicContact CG-CE3 4.4Å; L316-W320 HydrophobicContact CB-CD2 4.38Å; L316-W320 HydrophobicContact CB-CE3 3.93Å; L316-W320 HydrophobicContact CB-CZ3 4.2Å; L316-W320 HydrophobicContact CD1-CE3 4.25Å; L316-W320 HydrophobicContact CD1-CH2 4.11Å; L316-W320 HydrophobicContact CD1-CZ3 3.68Å; L316-W320 HydrophobicContact CD2-CH2 4.09Å; L316-W320 HydrophobicContact CD2-CZ2 4.32Å; L316-W320 HydrophobicContact CD2-CZ3 4.25Å; L316-W320 HydrophobicContact CG-CE3 4.49Å; L316-W320 HydrophobicContact CG-CZ3 4.27Å; L316-W320 PolarHBondContact O-N 3.42Å; D317-W320 PolarHBondContact O-N 2.87Å |
| 321 | G | 93 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -63.8 | 132 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | N213 D317 N323 M324 | N213-G321 CarbonylContact O-C 3.6Å; N213-G321 WeakPolarHBondContact O-CA 3.47Å; D317-G321 VanDerWaalsContact O-CA 3.25Å; D317-G321 WeakPolarHBondContact O-CA 3.48Å; D317-G321 PolarHBondContact O-N 3.15Å; G321-N323 VanDerWaalsContact C-N 3.29Å; G321-N323 PolarHBondContact O-N 3.47Å; G321-M324 PolarHBondContact O-N 3.02Å |
| 322 | L | 91.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 23 Ų | 23 | 30% | 0.298 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34.4 | -178.6 | -74.6 | 173.8 | 0 | 0 | 0 | 112.5 | N213 N215 | N213-L322 WeakPolarHBondContact O-CB 3.49Å; N213-L322 WeakPolarHBondContact O-CG 3.17Å; N213-L322 PolarHBondContact O-N 3.36Å; N213-L322 PolarHBondContact OD1-N 3.47Å; N213-L322 VanDerWaalsContact OD1-N 3.11Å; N215-L322 HydrophobicContact CB-CD1 4.43Å; N215-L322 HydrophobicContact CB-CD2 3.86Å; N215-L322 HydrophobicContact CB-CG 4.33Å |
| 323 | N | 93.5 | Very high | 94.9 | Very high | 71 Ų | 71 | 20.6 Ų | 20.6 | 38% | 0.38 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -8.5 | -177.5 | 70.1 | -0.1 | 0 | 0 | 0 | 114.1 | N213 G321 A325 G326 S327 | N213-N323 VanDerWaalsContact CG-OD1 3.28Å; N213-N323 PolarHBondContact ND2-OD1 2.89Å; N213-N323 PolarHBondContact OD1-N 2.99Å; N213-N323 PolarHBondContact OD1-OD1 2.86Å; G321-N323 VanDerWaalsContact C-N 3.29Å; G321-N323 PolarHBondContact O-N 3.47Å; N323-A325 PolarHBondContact O-N 3.19Å; N323-A325 VanDerWaalsContact O-N 3.15Å; N323-G326 PolarHBondContact O-N 2.93Å; N323-S327 PolarHBondContact O-N 2.82Å; N323-S327 PolarHBondContact O-OG 3.07Å; N323-S327 VanDerWaalsContact O-OG 3.14Å |
| 324 | M | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -58.7 | -33.7 | -172.9 | -73.8 | -59.8 | 102.5 | 0 | 0 | 113.6 | T313 D317 F318 G321 G326 S327 A328 Y329 | T313-M324 HydrophobicContact CG2-CE 3.96Å; D317-M324 HydrophobicContact CB-CE 4.34Å; D317-M324 WeakPolarHBondContact O-CG 3.44Å; F318-M324 HydrophobicContact CD1-SD 4.17Å; G321-M324 PolarHBondContact O-N 3.02Å; M324-G326 PolarHBondContact O-N 3.45Å; M324-S327 WeakPolarHBondContact CA-OG 3.26Å; M324-S327 WeakPolarHBondContact CE-OG 3.39Å; M324-S327 CarbonylContact O-C 3.32Å; M324-S327 PolarHBondContact O-N 3.48Å; M324-S327 VanDerWaalsContact O-N 3.11Å; M324-A328 PolarHBondContact O-N 3.45Å; M324-A328 HydrophobicContact SD-CB 3.67Å; M324-Y329 HydrophobicContact CB-CD1 4.19Å; M324-Y329 HydrophobicContact CB-CD2 3.74Å; M324-Y329 HydrophobicContact CB-CE1 3.92Å; M324-Y329 HydrophobicContact CB-CE2 3.43Å; M324-Y329 VanDerWaalsContact CB-CE2 3.43Å; M324-Y329 HydrophobicContact CB-CG 4.11Å; M324-Y329 HydrophobicContact CG-CE1 4.41Å; M324-Y329 HydrophobicContact CG-CE2 4.46Å; M324-Y329 WeakPolarHBondContact O-CB 3.39Å; M324-Y329 PolarHBondContact O-N 2.83Å |
| 325 | A | 96.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 29.1 Ų | 29.1 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -55.1 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N58 L64 N323 A330 | N58-A325 WeakPolarHBondContact O-CB 3.33Å; L64-A325 HydrophobicContact CD1-CB 3.83Å; N323-A325 PolarHBondContact O-N 3.19Å; N323-A325 VanDerWaalsContact O-N 3.15Å; A325-A330 WeakPolarHBondContact O-CB 3.27Å; A325-A330 PolarHBondContact O-N 3.24Å |
| 326 | G | 96.3 | Very high | 95 | Very high | 69 Ų | 69 | 29.2 Ų | 29.2 | 71% | 0.711 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -90.5 | -5.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N323 M324 | N323-G326 PolarHBondContact O-N 2.93Å; M324-G326 PolarHBondContact O-N 3.45Å |
| 327 | S | 96.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 22% | 0.217 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | -94.3 | -175.3 | 62.8 | 0 | 0 | 0 | 0 | 111.8 | N323 M324 Y329 A330 Q331 | N323-S327 PolarHBondContact O-N 2.82Å; N323-S327 PolarHBondContact O-OG 3.07Å; N323-S327 VanDerWaalsContact O-OG 3.14Å; M324-S327 WeakPolarHBondContact CA-OG 3.26Å; M324-S327 WeakPolarHBondContact CE-OG 3.39Å; M324-S327 CarbonylContact O-C 3.32Å; M324-S327 PolarHBondContact O-N 3.48Å; M324-S327 VanDerWaalsContact O-N 3.11Å; S327-Y329 PolarHBondContact O-N 2.74Å; S327-A330 PolarHBondContact O-N 3.46Å; S327-Q331 WeakPolarHBondContact O-CB 3.43Å; S327-Q331 PolarHBondContact O-N 2.89Å |
| 328 | A | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F142 Y310 F318 M324 Q331 L332 | F142-A328 HydrophobicContact CE1-CB 3.85Å; F142-A328 HydrophobicContact CZ-CB 4.38Å; Y310-A328 HydrophobicContact CE1-CB 4.28Å; Y310-A328 HydrophobicContact CE2-CB 4.24Å; Y310-A328 WeakPolarHBondContact OH-CA 3.44Å; F318-A328 HydrophobicContact CD1-CB 4.06Å; F318-A328 HydrophobicContact CE1-CB 4.03Å; M324-A328 PolarHBondContact O-N 3.45Å; M324-A328 HydrophobicContact SD-CB 3.67Å; A328-Q331 PolarHBondContact O-N 3.5Å; A328-L332 WeakPolarHBondContact O-CB 3.03Å; A328-L332 PolarHBondContact O-N 3.01Å |
| 329 | Y | 97.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.2 | -40.5 | -179.2 | -56.1 | -19.2 | 0 | 0 | 0 | 111.7 | Q59 L61 L64 F142 F318 M319 M324 S327 Q331 L332 I333 | Q59-Y329 WeakPolarHBondContact O-CE2 3.42Å; L61-Y329 HydrophobicContact CB-CD1 4.08Å; L61-Y329 HydrophobicContact CB-CD2 4.15Å; L61-Y329 HydrophobicContact CB-CE1 3.94Å; L61-Y329 HydrophobicContact CB-CE2 4.02Å; L61-Y329 HydrophobicContact CB-CG 4.2Å; L61-Y329 HydrophobicContact CD1-CD1 3.9Å; L61-Y329 HydrophobicContact CD1-CD2 4.47Å; L61-Y329 HydrophobicContact CD1-CG 3.85Å; L61-Y329 HydrophobicContact CD2-CD1 4.2Å; L61-Y329 HydrophobicContact CD2-CE1 4.24Å; L61-Y329 HydrophobicContact CG-CD1 4.28Å; L61-Y329 HydrophobicContact CG-CE1 4.48Å; L64-Y329 HydrophobicContact CD1-CD2 3.74Å; L64-Y329 HydrophobicContact CD1-CG 4.45Å; F142-Y329 HydrophobicContact CE2-CD1 4.43Å; F142-Y329 HydrophobicContact CE2-CE1 4.47Å; F142-Y329 HydrophobicContact CZ-CD1 4.26Å; F318-Y329 VanDerWaalsContact O-CE1 3.31Å; F318-Y329 WeakPolarHBondContact O-CE1 3.08Å; F318-Y329 PolarHBondContact O-OH 3.4Å; M319-Y329 WeakPolarHBondContact CA-OH 3.44Å; M319-Y329 PolarHBondContact O-OH 3.27Å; M324-Y329 HydrophobicContact CB-CD1 4.19Å; M324-Y329 HydrophobicContact CB-CD2 3.74Å; M324-Y329 HydrophobicContact CB-CE1 3.92Å; M324-Y329 HydrophobicContact CB-CE2 3.43Å; M324-Y329 VanDerWaalsContact CB-CE2 3.43Å; M324-Y329 HydrophobicContact CB-CG 4.11Å; M324-Y329 HydrophobicContact CG-CE1 4.41Å; M324-Y329 HydrophobicContact CG-CE2 4.46Å; M324-Y329 WeakPolarHBondContact O-CB 3.39Å; M324-Y329 PolarHBondContact O-N 2.83Å; S327-Y329 PolarHBondContact O-N 2.74Å; Y329-Q331 VanDerWaalsContact C-N 3.32Å; Y329-Q331 PolarHBondContact O-N 3.22Å; Y329-L332 PolarHBondContact O-N 2.88Å; Y329-I333 VanDerWaalsContact O-CG1 3.31Å; Y329-I333 WeakPolarHBondContact O-CG1 3.14Å; Y329-I333 PolarHBondContact O-N 2Å |
| 330 | A | 97.2 | Very high | 91 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A325 S327 R334 | A325-A330 WeakPolarHBondContact O-CB 3.27Å; A325-A330 PolarHBondContact O-N 3.24Å; S327-A330 PolarHBondContact O-N 3.46Å; A330-R334 PolarHBondContact O-N 3.49Å; A330-R334 VanDerWaalsContact O-N 3.09Å |
| 331 | Q | 97.3 | Very high | 89 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 23% | 0.229 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 176.1 | -175.9 | 56.7 | 41.8 | 0 | 0 | 111.6 | Y281 Y308 S327 A328 Y329 R334 V335 | Y281-Q331 HydrophobicContact CE1-CB 4.47Å; Y281-Q331 HydrophobicContact CE1-CG 4.09Å; Y308-Q331 HydrophobicContact CD1-CG 3.66Å; Y308-Q331 HydrophobicContact CD2-CG 4.37Å; Y308-Q331 HydrophobicContact CE1-CG 3.64Å; Y308-Q331 HydrophobicContact CE2-CG 4.33Å; Y308-Q331 HydrophobicContact CG-CG 4.03Å; Y308-Q331 PolarHBondContact OH-NE2 3.25Å; S327-Q331 WeakPolarHBondContact O-CB 3.43Å; S327-Q331 PolarHBondContact O-N 2.89Å; A328-Q331 PolarHBondContact O-N 3.5Å; Y329-Q331 VanDerWaalsContact C-N 3.32Å; Y329-Q331 PolarHBondContact O-N 3.22Å; Q331-R334 WeakPolarHBondContact O-CB 3.34Å; Q331-R334 PolarHBondContact O-N 2.67Å; Q331-V335 WeakPolarHBondContact O-CG2 3.41Å; Q331-V335 PolarHBondContact O-N 3.28Å |
| 332 | L | 97 | Very high | 86.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.5 | -52.7 | 174.7 | 170 | 63.5 | 0 | 0 | 0 | 111.5 | L61 V128 H140 F142 A328 Y329 R334 V335 L336 | L61-L332 HydrophobicContact CD1-CD2 3.82Å; L61-L332 HydrophobicContact CD2-CD2 3.75Å; L61-L332 HydrophobicContact CG-CD2 4.41Å; V128-L332 HydrophobicContact CG1-CD2 4.01Å; V128-L332 HydrophobicContact CG2-CD1 4.19Å; V128-L332 HydrophobicContact CG2-CD2 3.92Å; H140-L332 HydrophobicContact CB-CD1 3.78Å; H140-L332 VanDerWaalsContact ND1-CD1 3.3Å; H140-L332 WeakPolarHBondContact ND1-CD1 3.34Å; F142-L332 HydrophobicContact CE2-CD2 3.85Å; F142-L332 HydrophobicContact CZ-CB 4.12Å; F142-L332 HydrophobicContact CZ-CD2 3.83Å; A328-L332 WeakPolarHBondContact O-CB 3.03Å; A328-L332 PolarHBondContact O-N 3.01Å; Y329-L332 PolarHBondContact O-N 2.88Å; L332-R334 PolarHBondContact O-N 3.34Å; L332-V335 PolarHBondContact O-N 3.1Å; L332-L336 HydrophobicContact CD1-CD1 3.98Å; L332-L336 HydrophobicContact CD1-CD2 4.36Å; L332-L336 HydrophobicContact CD1-CG 3.95Å; L332-L336 HydrophobicContact CG-CD1 3.94Å; L332-L336 HydrophobicContact CG-CG 4.33Å; L332-L336 WeakPolarHBondContact O-CG 3.27Å; L332-L336 PolarHBondContact O-N 2.91Å |
| 333 | I | 95.4 | Very high | 86.5 | Confident | 43 Ų | 43 | 60 Ų | 60 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.3 | -37 | 179.9 | -68.9 | 167.1 | 0 | 0 | 0 | 111.1 | L64 L65 A68 Y329 S337 | L64-I333 HydrophobicContact CB-CD1 4.38Å; L65-I333 HydrophobicContact CD2-CG1 3.91Å; A68-I333 HydrophobicContact CB-CG2 4.5Å; Y329-I333 VanDerWaalsContact O-CG1 3.31Å; Y329-I333 WeakPolarHBondContact O-CG1 3.14Å; Y329-I333 PolarHBondContact O-N 2Å; I333-S337 WeakPolarHBondContact O-CB 3.24Å; I333-S337 PolarHBondContact O-N 3.48Å; I333-S337 PolarHBondContact O-OG 3.32Å |
| 334 | R | 95 | Very high | 86.2 | Confident | 176 Ų | 176 | 59.4 Ų | 59.4 | 66% | 0.664 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.5 | -49 | 173 | -107.1 | -180 | 178.8 | 165.5 | 0.6 | 112 | A330 Q331 L332 S337 T338 | A330-R334 PolarHBondContact O-N 3.49Å; A330-R334 VanDerWaalsContact O-N 3.09Å; Q331-R334 WeakPolarHBondContact O-CB 3.34Å; Q331-R334 PolarHBondContact O-N 2.67Å; L332-R334 PolarHBondContact O-N 3.34Å; R334-S337 PolarHBondContact O-N 3.33Å; R334-S337 PolarHBondContact O-OG 3.37Å; R334-T338 WeakPolarHBondContact O-CG2 2.96Å; R334-T338 PolarHBondContact O-N 2.78Å |
| 335 | V | 94 | Very high | 85.6 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.048 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.4 | -46 | -179.6 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | L305 Y308 Q331 L332 S337 T338 | L305-V335 HydrophobicContact CB-CG1 4.21Å; Y308-V335 HydrophobicContact CE2-CG2 4.18Å; Y308-V335 VanDerWaalsContact OH-CG2 3.26Å; Y308-V335 WeakPolarHBondContact OH-CG2 3.09Å; Q331-V335 WeakPolarHBondContact O-CG2 3.41Å; Q331-V335 PolarHBondContact O-N 3.28Å; L332-V335 PolarHBondContact O-N 3.1Å; V335-S337 VanDerWaalsContact C-N 3.26Å; V335-S337 PolarHBondContact O-N 3.17Å; V335-T338 PolarHBondContact O-N 3.27Å; V335-T338 PolarHBondContact O-OG1 3.11Å |
| 336 | L | 92.4 | Very high | 85 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.9 | -42.1 | 176.5 | -66.2 | 173.7 | 0 | 0 | 0 | 111.6 | L65 Y70 D126 H140 L332 T338 L339 | L65-L336 HydrophobicContact CD2-CD1 3.73Å; Y70-L336 HydrophobicContact CE1-CB 4.14Å; Y70-L336 HydrophobicContact CE1-CD1 4.39Å; Y70-L336 WeakPolarHBondContact OH-CB 3.43Å; D126-L336 HydrophobicContact CB-CD2 3.73Å; D126-L336 WeakPolarHBondContact OD2-CD2 3.5Å; H140-L336 WeakPolarHBondContact NE2-CD2 3.44Å; L332-L336 HydrophobicContact CD1-CD1 3.98Å; L332-L336 HydrophobicContact CD1-CD2 4.36Å; L332-L336 HydrophobicContact CD1-CG 3.95Å; L332-L336 HydrophobicContact CG-CD1 3.94Å; L332-L336 HydrophobicContact CG-CG 4.33Å; L332-L336 WeakPolarHBondContact O-CG 3.27Å; L332-L336 PolarHBondContact O-N 2.91Å; L336-T338 PolarHBondContact O-N 2.76Å; L336-L339 PolarHBondContact O-N 3.01Å |
| 337 | S | 87.5 | Confident | 84.3 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 56% | 0.559 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.4 | -13.6 | 179.7 | 71.6 | 0 | 0 | 0 | 0 | 115.3 | I333 R334 V335 | I333-S337 WeakPolarHBondContact O-CB 3.24Å; I333-S337 PolarHBondContact O-N 3.48Å; I333-S337 PolarHBondContact O-OG 3.32Å; R334-S337 PolarHBondContact O-N 3.33Å; R334-S337 PolarHBondContact O-OG 3.37Å; V335-S337 VanDerWaalsContact C-N 3.26Å; V335-S337 PolarHBondContact O-N 3.17Å |
| 338 | T | 81.6 | Confident | 83.5 | Confident | 106 Ų | 106 | 66.7 Ų | 66.7 | 65% | 0.65 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -93.1 | -12.4 | 179.9 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | R334 V335 L336 | R334-T338 WeakPolarHBondContact O-CG2 2.96Å; R334-T338 PolarHBondContact O-N 2.78Å; V335-T338 PolarHBondContact O-N 3.27Å; V335-T338 PolarHBondContact O-OG1 3.11Å; L336-T338 PolarHBondContact O-N 2.76Å |
| 339 | L | 68.2 | Low | 82.5 | Confident | 68 Ų | 68 | 71.4 Ų | 71.4 | 36% | 0.356 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -78.3 | 132.5 | 176.1 | -66.5 | 171.9 | 0 | 0 | 0 | 109.2 | L305 L336 A341 | L305-L339 HydrophobicContact CD2-CD1 4.42Å; L305-L339 HydrophobicContact CD2-CD2 3.9Å; L336-L339 PolarHBondContact O-N 3.01Å; L339-A341 PolarHBondContact O-N 3.39Å |
| 340 | P | 54 | Low | 81.3 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 128.1 | 175.1 | 24.5 | -30.1 | 0 | 0 | 0 | 109.1 | E342 | P340-E342 PolarHBondContact O-N 3.39Š|
| 341 | A | 52 | Low | 80 | Confident | 92 Ų | 92 | 79.7 Ų | 79.7 | 76% | 0.76 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 116.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | L339 | L339-A341 PolarHBondContact O-N 3.39Š|
| 342 | E | 45.6 | Very low | 78.4 | Confident | 214 Ų | 214 | 82.5 Ų | 82.5 | 100% | 1 | 46% | 0.457 | S | S | * | . | trans | -63.5 | 0 | 179.9 | -70.3 | -165.9 | 158.3 | 0 | 0 | 112.9 | P340 | P340-E342 PolarHBondContact O-N 3.39Š|
Retrieved 342 of 342 residues in 515.2 ms
(Link to these results)