| 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 | 61.2 | Low | 89.7 | Confident | 205 Ų | 205 | 58.1 Ų | 58.1 | 100% | 1.01 | 34% | 0.337 | S | S | * | . | 0 | -33.7 | 0 | -68.5 | -173.3 | 75.6 | 0 | 0 | 112.7 | G3 V4 V5 | M1-G3 PolarHBondContact O-N 3.16Å; M1-V4 PolarHBondContact O-N 3.02Å; M1-V5 PolarHBondContact O-N 3.05Å | |||
| 2 | S | 81.5 | Confident | 90.4 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -50.7 | -49.1 | 176.2 | 48.4 | 0 | 0 | 0 | 0 | 114 | V4 V5 V6 | S2-V4 PolarHBondContact O-N 2.86Å; S2-V5 PolarHBondContact O-N 3.35Å; S2-V6 WeakPolarHBondContact O-CG2 3.46Å; S2-V6 PolarHBondContact O-N 3.02Å |
| 3 | G | 87.4 | Confident | 90.9 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -39.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | M1 V5 V6 S7 | M1-G3 PolarHBondContact O-N 3.16Å; G3-V5 VanDerWaalsContact C-N 3.35Å; G3-V5 PolarHBondContact O-N 2.82Å; G3-V6 PolarHBondContact O-N 3.49Å; G3-S7 PolarHBondContact O-N 3.46Å; G3-S7 PolarHBondContact O-OG 2.96Å |
| 4 | V | 90.1 | Very high | 91.3 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | M1 S2 V6 S7 L8 L60 L66 | M1-V4 PolarHBondContact O-N 3.02Å; S2-V4 PolarHBondContact O-N 2.86Å; V4-V6 PolarHBondContact O-N 3.01Å; V4-S7 PolarHBondContact O-N 3.35Å; V4-L8 HydrophobicContact CG1-CD1 4.13Å; V4-L8 HydrophobicContact CG1-CG 4.41Å; V4-L8 VanDerWaalsContact O-CG 3.28Å; V4-L8 WeakPolarHBondContact O-CG 3.26Å; V4-L8 PolarHBondContact O-N 3.23Å; V4-L60 HydrophobicContact CB-CD2 4.28Å; V4-L60 HydrophobicContact CG1-CD2 4.25Å; V4-L60 HydrophobicContact CG2-CD2 4.07Å; V4-L66 HydrophobicContact CG1-CD1 4.43Å; V4-L66 HydrophobicContact CG1-CD2 4.34Å; V4-L66 HydrophobicContact CG2-CD2 3.91Å; V4-L66 HydrophobicContact CG2-CG 4.46Å |
| 5 | V | 93.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 54.2 Ų | 54.2 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | M1 S2 G3 S7 L8 C9 | M1-V5 PolarHBondContact O-N 3.05Å; S2-V5 PolarHBondContact O-N 3.35Å; G3-V5 VanDerWaalsContact C-N 3.35Å; G3-V5 PolarHBondContact O-N 2.82Å; V5-S7 PolarHBondContact O-N 3.34Å; V5-L8 PolarHBondContact O-N 3.23Å; V5-C9 WeakPolarHBondContact O-CB 3.28Å; V5-C9 PolarHBondContact O-N 3.14Å; V5-C9 PolarHBondContact O-SG 3.43Å; V5-C9 VanDerWaalsContact O-SG 3.32Å |
| 6 | V | 95.1 | Very high | 92.2 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 177 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | S2 G3 V4 L8 C9 L10 L136 | S2-V6 WeakPolarHBondContact O-CG2 3.46Å; S2-V6 PolarHBondContact O-N 3.02Å; G3-V6 PolarHBondContact O-N 3.49Å; V4-V6 PolarHBondContact O-N 3.01Å; V6-L8 PolarHBondContact O-N 3.3Å; V6-C9 PolarHBondContact O-N 3.29Å; V6-L10 WeakPolarHBondContact O-CB 3.14Å; V6-L10 PolarHBondContact O-N 3Å; V6-L136 HydrophobicContact CG1-CB 3.84Å |
| 7 | S | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.2 | -68.3 | 0 | 0 | 0 | 0 | 112.8 | G3 V4 V5 C9 L10 L11 E56 | G3-S7 PolarHBondContact O-N 3.46Å; G3-S7 PolarHBondContact O-OG 2.96Å; V4-S7 PolarHBondContact O-N 3.35Å; V5-S7 PolarHBondContact O-N 3.34Å; S7-C9 VanDerWaalsContact C-N 3.35Å; S7-C9 PolarHBondContact O-N 2.95Å; S7-L10 WeakPolarHBondContact O-CB 3.38Å; S7-L10 PolarHBondContact O-N 3.17Å; S7-L11 WeakPolarHBondContact O-CG 3.3Å; S7-L11 PolarHBondContact O-N 2.85Å; S7-E56 WeakPolarHBondContact CA-OE1 3.17Å; S7-E56 WeakPolarHBondContact CB-OE1 3.25Å; S7-E56 PolarHBondContact OG-OE1 2.93Å |
| 8 | L | 95.4 | Very high | 92.8 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.3 | -66.7 | 177 | 0 | 0 | 0 | 112 | V4 V5 V6 L11 A12 L74 | V4-L8 HydrophobicContact CG1-CD1 4.13Å; V4-L8 HydrophobicContact CG1-CG 4.41Å; V4-L8 VanDerWaalsContact O-CG 3.28Å; V4-L8 WeakPolarHBondContact O-CG 3.26Å; V4-L8 PolarHBondContact O-N 3.23Å; V5-L8 PolarHBondContact O-N 3.23Å; V6-L8 PolarHBondContact O-N 3.3Å; L8-L11 HydrophobicContact CD2-CD1 4.43Å; L8-L11 PolarHBondContact O-N 2.76Å; L8-A12 WeakPolarHBondContact O-CB 3.02Å; L8-A12 PolarHBondContact O-N 2.96Å; L8-L74 HydrophobicContact CD2-CD1 4.16Å; L8-L74 HydrophobicContact CD2-CD2 3.59Å |
| 9 | C | 96.2 | Very high | 93 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 48% | 0.48 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 172.8 | -71 | 0 | 0 | 0 | 0 | 111.5 | V5 V6 S7 L11 A12 V13 | V5-C9 WeakPolarHBondContact O-CB 3.28Å; V5-C9 PolarHBondContact O-N 3.14Å; V5-C9 PolarHBondContact O-SG 3.43Å; V5-C9 VanDerWaalsContact O-SG 3.32Å; V6-C9 PolarHBondContact O-N 3.29Å; S7-C9 VanDerWaalsContact C-N 3.35Å; S7-C9 PolarHBondContact O-N 2.95Å; C9-L11 VanDerWaalsContact C-N 3.35Å; C9-L11 PolarHBondContact O-N 3.12Å; C9-A12 PolarHBondContact O-N 3.09Å; C9-V13 WeakPolarHBondContact O-CB 3.3Å; C9-V13 VanDerWaalsContact O-CG2 3.31Å; C9-V13 WeakPolarHBondContact O-CG2 3.5Å; C9-V13 PolarHBondContact O-N 3.27Å |
| 10 | L | 95.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 176.6 | -176.9 | 67.1 | 0 | 0 | 0 | 111.1 | V6 S7 V13 F14 L128 L131 L136 | V6-L10 WeakPolarHBondContact O-CB 3.14Å; V6-L10 PolarHBondContact O-N 3Å; S7-L10 WeakPolarHBondContact O-CB 3.38Å; S7-L10 PolarHBondContact O-N 3.17Å; L10-V13 PolarHBondContact O-N 2.91Å; L10-F14 WeakPolarHBondContact O-CB 3.32Å; L10-F14 PolarHBondContact O-N 3.34Å; L10-L128 HydrophobicContact CD2-CD1 4.3Å; L10-L131 HydrophobicContact CD1-CD1 4.35Å; L10-L136 HydrophobicContact CD1-CD1 4.44Å |
| 11 | L | 96.3 | Very high | 93.3 | Very high | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 174.8 | -73.7 | 178.1 | 0 | 0 | 0 | 111.8 | S7 L8 C9 F14 V15 C53 E56 L57 | S7-L11 WeakPolarHBondContact O-CG 3.3Å; S7-L11 PolarHBondContact O-N 2.85Å; L8-L11 HydrophobicContact CD2-CD1 4.43Å; L8-L11 PolarHBondContact O-N 2.76Å; C9-L11 VanDerWaalsContact C-N 3.35Å; C9-L11 PolarHBondContact O-N 3.12Å; L11-F14 PolarHBondContact O-N 3.4Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.05Å; L11-C53 HydrophobicContact CD2-CB 4.07Å; L11-E56 HydrophobicContact CD1-CG 4.27Å; L11-E56 HydrophobicContact CD2-CB 3.7Å; L11-E56 HydrophobicContact CD2-CG 3.94Å; L11-E56 HydrophobicContact CG-CB 4.23Å; L11-E56 HydrophobicContact CG-CG 3.9Å; L11-L57 HydrophobicContact CD1-CD2 4.02Å; L11-L57 HydrophobicContact CD1-CG 4.37Å |
| 12 | A | 97.5 | Very high | 94.9 | Very high | 52 Ų | 52 | 47.3 Ų | 47.3 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.8 | -47.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L8 C9 F14 V15 L16 | L8-A12 WeakPolarHBondContact O-CB 3.02Å; L8-A12 PolarHBondContact O-N 2.96Å; C9-A12 PolarHBondContact O-N 3.09Å; A12-F14 VanDerWaalsContact C-N 3.33Å; A12-F14 PolarHBondContact O-N 3.47Å; A12-V15 PolarHBondContact O-N 3.49Å; A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.2Å; A12-L16 PolarHBondContact O-N 3.37Å |
| 13 | V | 97.1 | Very high | 95.5 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.2 | 170 | 0 | 0 | 0 | 0 | 110.5 | C9 L10 V15 L16 L17 | C9-V13 WeakPolarHBondContact O-CB 3.3Å; C9-V13 VanDerWaalsContact O-CG2 3.31Å; C9-V13 WeakPolarHBondContact O-CG2 3.5Å; C9-V13 PolarHBondContact O-N 3.27Å; L10-V13 PolarHBondContact O-N 2.91Å; V13-V15 PolarHBondContact O-N 2.87Å; V13-L16 PolarHBondContact O-N 3.28Å; V13-L17 HydrophobicContact CG1-CD1 3.93Å; V13-L17 HydrophobicContact CG1-CG 4.31Å; V13-L17 VanDerWaalsContact O-CG 3.32Å; V13-L17 WeakPolarHBondContact O-CG 3.48Å; V13-L17 PolarHBondContact O-N 3.43Å |
| 14 | F | 96.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 54 Ų | 54 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -42.7 | -178.6 | -160 | -96 | 0 | 0 | 0 | 112.5 | L10 L11 A12 L16 L17 C18 L48 I52 M127 | L10-F14 WeakPolarHBondContact O-CB 3.32Å; L10-F14 PolarHBondContact O-N 3.34Å; L11-F14 PolarHBondContact O-N 3.4Å; A12-F14 VanDerWaalsContact C-N 3.33Å; A12-F14 PolarHBondContact O-N 3.47Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3Å; F14-L17 PolarHBondContact O-N 3.28Å; F14-C18 WeakPolarHBondContact CE1-SG 3.25Å; F14-C18 WeakPolarHBondContact O-CB 3.41Å; F14-C18 PolarHBondContact O-N 2.88Å; F14-C18 PolarHBondContact O-SG 2.97Å; F14-L48 HydrophobicContact CE1-CD2 4.44Å; F14-L48 HydrophobicContact CE1-CG 4.24Å; F14-L48 HydrophobicContact CZ-CD2 3.92Å; F14-L48 HydrophobicContact CZ-CG 4.06Å; F14-I52 HydrophobicContact CB-CG2 4.47Å; F14-I52 HydrophobicContact CD1-CB 3.97Å; F14-I52 HydrophobicContact CD1-CD1 4.12Å; F14-I52 HydrophobicContact CD1-CG2 3.59Å; F14-I52 HydrophobicContact CD2-CD1 4.32Å; F14-I52 HydrophobicContact CD2-CG2 4.36Å; F14-I52 HydrophobicContact CE1-CB 3.84Å; F14-I52 HydrophobicContact CE1-CD1 3.33Å; F14-I52 HydrophobicContact CE1-CG1 4.11Å; F14-I52 HydrophobicContact CE1-CG2 3.93Å; F14-I52 HydrophobicContact CE2-CD1 3.59Å; F14-I52 HydrophobicContact CG-CG2 3.86Å; F14-I52 HydrophobicContact CZ-CB 4.45Å; F14-I52 HydrophobicContact CZ-CD1 3.05Å; F14-I52 HydrophobicContact CZ-CG1 4.26Å; F14-I52 HydrophobicContact CZ-CG2 4.48Å; F14-M127 HydrophobicContact CE2-CE 4.28Å |
| 15 | V | 98 | Very high | 95.8 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 173.8 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | L11 A12 V13 C18 E19 Q49 V81 T85 | L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.05Å; A12-V15 PolarHBondContact O-N 3.49Å; V13-V15 PolarHBondContact O-N 2.87Å; V15-C18 PolarHBondContact O-N 3.32Å; V15-E19 VanDerWaalsContact O-CB 3.32Å; V15-E19 WeakPolarHBondContact O-CB 3.41Å; V15-E19 PolarHBondContact O-N 3.38Å; V15-Q49 HydrophobicContact CG2-CG 4.01Å; V15-V81 HydrophobicContact CB-CG1 4.42Å; V15-V81 HydrophobicContact CG1-CG1 3.56Å; V15-V81 HydrophobicContact CG2-CG1 3.95Å; V15-T85 HydrophobicContact CG1-CG2 4.48Å |
| 16 | L | 97.9 | Very high | 95.5 | Very high | 120 Ų | 120 | 53.6 Ų | 53.6 | 63% | 0.628 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 177.7 | -69.8 | 172 | 0 | 0 | 0 | 112.1 | A12 V13 F14 E19 L20 | A12-L16 VanDerWaalsContact O-CG 3.27Å; A12-L16 WeakPolarHBondContact O-CG 3.2Å; A12-L16 PolarHBondContact O-N 3.37Å; V13-L16 PolarHBondContact O-N 3.28Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 3Å; L16-E19 PolarHBondContact O-N 3.19Å; L16-L20 WeakPolarHBondContact O-CB 3.27Å; L16-L20 PolarHBondContact O-N 3.09Å |
| 17 | L | 97.6 | Very high | 95.2 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.1 | -70.8 | 174.5 | 0 | 0 | 0 | 111.8 | V13 F14 E19 L20 S21 | V13-L17 HydrophobicContact CG1-CD1 3.93Å; V13-L17 HydrophobicContact CG1-CG 4.31Å; V13-L17 VanDerWaalsContact O-CG 3.32Å; V13-L17 WeakPolarHBondContact O-CG 3.48Å; V13-L17 PolarHBondContact O-N 3.43Å; F14-L17 PolarHBondContact O-N 3.28Å; L17-E19 VanDerWaalsContact C-N 3.31Å; L17-E19 PolarHBondContact O-N 2.92Å; L17-L20 PolarHBondContact O-N 3.45Å; L17-S21 VanDerWaalsContact O-CB 3.28Å; L17-S21 WeakPolarHBondContact O-CB 3.4Å; L17-S21 PolarHBondContact O-N 2.98Å; L17-S21 PolarHBondContact O-OG 3.13Å |
| 18 | C | 97.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 174.1 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | F14 V15 S21 R22 V45 Q49 | F14-C18 WeakPolarHBondContact CE1-SG 3.25Å; F14-C18 WeakPolarHBondContact O-CB 3.41Å; F14-C18 PolarHBondContact O-N 2.88Å; F14-C18 PolarHBondContact O-SG 2.97Å; V15-C18 PolarHBondContact O-N 3.32Å; C18-S21 PolarHBondContact O-N 2.88Å; C18-R22 WeakPolarHBondContact O-CG 3.28Å; C18-R22 PolarHBondContact O-N 2.96Å; C18-V45 HydrophobicContact CB-CG1 3.75Å; C18-V45 WeakPolarHBondContact O-CG1 3.23Å; C18-Q49 HydrophobicContact CB-CB 4.08Å; C18-Q49 HydrophobicContact CB-CG 4.23Å; C18-Q49 VanDerWaalsContact CB-OE1 3.31Å |
| 19 | E | 97.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 177.7 | 179.8 | 57.4 | -163.3 | 0 | 0 | 112.3 | V15 L16 L17 S21 R22 R23 H87 | V15-E19 VanDerWaalsContact O-CB 3.32Å; V15-E19 WeakPolarHBondContact O-CB 3.41Å; V15-E19 PolarHBondContact O-N 3.38Å; L16-E19 PolarHBondContact O-N 3.19Å; L17-E19 VanDerWaalsContact C-N 3.31Å; L17-E19 PolarHBondContact O-N 2.92Å; E19-S21 VanDerWaalsContact C-N 3.3Å; E19-S21 PolarHBondContact O-N 3.16Å; E19-R22 VanDerWaalsContact CA-NH2 3.26Å; E19-R22 PolarHBondContact O-N 3.37Å; E19-R22 IonicContact OE2-CZ 2.69Å; E19-R22 IonicContact OE2-NE 2.96Å; E19-R22 PolarHBondContact OE2-NE 3.26Å; E19-R22 IonicContact OE2-NH2 3.34Å; E19-R22 PolarHBondContact OE2-NH2 2.87Å; E19-R23 WeakPolarHBondContact O-CG 3.32Å; E19-R23 PolarHBondContact O-N 3.44Å; E19-R23 IonicContact OE1-CZ 3.16Å; E19-R23 VanDerWaalsContact OE1-CZ 3.31Å; E19-R23 IonicContact OE1-NE 3.44Å; E19-R23 PolarHBondContact OE1-NE 2.73Å; E19-R23 IonicContact OE1-NH2 2.76Å; E19-R23 PolarHBondContact OE1-NH2 3.36Å; E19-H87 VanDerWaalsContact CD-CE1 3.5Å; E19-H87 IonicContact OE1-CE1 3.19Å; E19-H87 PolarHBondContact OE1-CE1 3.35Å; E19-H87 IonicContact OE1-NE2 3.48Å; E19-H87 IonicContact OE2-CE1 3.31Å; E19-H87 PolarHBondContact OE2-CE1 3.42Å; E19-H87 IonicContact OE2-ND1 2.91Å |
| 20 | L | 96.8 | Very high | 93.5 | Very high | 97 Ų | 97 | 60.4 Ų | 60.4 | 51% | 0.508 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 174.2 | -179.4 | 59.6 | 0 | 0 | 0 | 110.9 | L16 L17 R22 R23 I24 | L16-L20 WeakPolarHBondContact O-CB 3.27Å; L16-L20 PolarHBondContact O-N 3.09Å; L17-L20 PolarHBondContact O-N 3.45Å; L20-R22 PolarHBondContact O-N 3.06Å; L20-R23 PolarHBondContact O-N 3.47Å; L20-I24 HydrophobicContact CD1-CD1 3.86Å; L20-I24 HydrophobicContact CD1-CG1 4.16Å; L20-I24 HydrophobicContact CD2-CD1 4.45Å; L20-I24 HydrophobicContact CG-CD1 3.75Å; L20-I24 HydrophobicContact CG-CG1 4.43Å; L20-I24 WeakPolarHBondContact O-CB 3.27Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.3Å; L20-I24 PolarHBondContact O-N 2.9Å |
| 21 | S | 95.8 | Very high | 92.6 | Very high | 50 Ų | 50 | 64.3 Ų | 64.3 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 179 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | L17 C18 E19 R23 I24 L25 | L17-S21 VanDerWaalsContact O-CB 3.28Å; L17-S21 WeakPolarHBondContact O-CB 3.4Å; L17-S21 PolarHBondContact O-N 2.98Å; L17-S21 PolarHBondContact O-OG 3.13Å; C18-S21 PolarHBondContact O-N 2.88Å; E19-S21 VanDerWaalsContact C-N 3.3Å; E19-S21 PolarHBondContact O-N 3.16Å; S21-R23 PolarHBondContact O-N 3.23Å; S21-I24 PolarHBondContact O-N 2.95Å; S21-L25 WeakPolarHBondContact O-CB 3.47Å; S21-L25 WeakPolarHBondContact O-CD1 3.48Å; S21-L25 WeakPolarHBondContact O-CG 3.24Å; S21-L25 PolarHBondContact O-N 2.96Å |
| 22 | R | 95.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 175.3 | -75.9 | -177.8 | -68 | -96.5 | -3.1 | 111.5 | C18 E19 L20 I24 L25 T26 V42 V45 S46 Q49 T85 | C18-R22 WeakPolarHBondContact O-CG 3.28Å; C18-R22 PolarHBondContact O-N 2.96Å; E19-R22 VanDerWaalsContact CA-NH2 3.26Å; E19-R22 PolarHBondContact O-N 3.37Å; E19-R22 IonicContact OE2-CZ 2.69Å; E19-R22 IonicContact OE2-NE 2.96Å; E19-R22 PolarHBondContact OE2-NE 3.26Å; E19-R22 IonicContact OE2-NH2 3.34Å; E19-R22 PolarHBondContact OE2-NH2 2.87Å; L20-R22 PolarHBondContact O-N 3.06Å; R22-I24 VanDerWaalsContact C-N 3.34Å; R22-I24 PolarHBondContact O-N 3.05Å; R22-L25 PolarHBondContact O-N 3.17Å; R22-T26 WeakPolarHBondContact O-CB 3.37Å; R22-T26 PolarHBondContact O-N 2.96Å; R22-T26 PolarHBondContact O-OG1 2.82Å; R22-V42 HydrophobicContact CG-CG1 4.44Å; R22-V42 HydrophobicContact CG-CG2 4.33Å; R22-V45 HydrophobicContact CG-CB 4.06Å; R22-V45 HydrophobicContact CG-CG1 3.81Å; R22-S46 WeakPolarHBondContact CD-OG 3.14Å; R22-Q49 VanDerWaalsContact CZ-OE1 3.29Å; R22-T85 PolarHBondContact NE-O 2.99Å; R22-T85 PolarHBondContact NH2-O 2.73Å |
| 23 | R | 93.1 | Very high | 90.6 | Very high | 146 Ų | 146 | 71.9 Ų | 71.9 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.7 | -43.9 | 179.4 | -70.5 | 179.6 | -174.7 | -154.3 | 0.6 | 112.2 | E19 L20 S21 K27 | E19-R23 WeakPolarHBondContact O-CG 3.32Å; E19-R23 PolarHBondContact O-N 3.44Å; E19-R23 IonicContact OE1-CZ 3.16Å; E19-R23 VanDerWaalsContact OE1-CZ 3.31Å; E19-R23 IonicContact OE1-NE 3.44Å; E19-R23 PolarHBondContact OE1-NE 2.73Å; E19-R23 IonicContact OE1-NH2 2.76Å; E19-R23 PolarHBondContact OE1-NH2 3.36Å; L20-R23 PolarHBondContact O-N 3.47Å; S21-R23 PolarHBondContact O-N 3.23Å; R23-K27 VanDerWaalsContact O-CB 3.3Å; R23-K27 WeakPolarHBondContact O-CB 3.38Å; R23-K27 VanDerWaalsContact O-CG 3.25Å; R23-K27 WeakPolarHBondContact O-CG 3.39Å; R23-K27 PolarHBondContact O-N 3.46Å |
| 24 | I | 92.8 | Very high | 89.8 | Confident | 80 Ų | 80 | 71.9 Ų | 71.9 | 41% | 0.41 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -50.6 | 177.2 | -69.7 | 170.5 | 0 | 0 | 0 | 110 | L20 S21 R22 T26 K27 L28 | L20-I24 HydrophobicContact CD1-CD1 3.86Å; L20-I24 HydrophobicContact CD1-CG1 4.16Å; L20-I24 HydrophobicContact CD2-CD1 4.45Å; L20-I24 HydrophobicContact CG-CD1 3.75Å; L20-I24 HydrophobicContact CG-CG1 4.43Å; L20-I24 WeakPolarHBondContact O-CB 3.27Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.3Å; L20-I24 PolarHBondContact O-N 2.9Å; S21-I24 PolarHBondContact O-N 2.95Å; R22-I24 VanDerWaalsContact C-N 3.34Å; R22-I24 PolarHBondContact O-N 3.05Å; I24-T26 PolarHBondContact O-N 3.18Å; I24-K27 PolarHBondContact O-N 3.19Å; I24-L28 HydrophobicContact CG2-CD1 3.52Å; I24-L28 HydrophobicContact CG2-CG 4.1Å; I24-L28 WeakPolarHBondContact O-CB 3.36Å; I24-L28 VanDerWaalsContact O-CG 3.26Å; I24-L28 WeakPolarHBondContact O-CG 3.23Å; I24-L28 PolarHBondContact O-N 3.34Å |
| 25 | L | 90.3 | Very high | 88.9 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | -179.1 | -73.6 | 164.6 | 0 | 0 | 0 | 111.8 | S21 R22 K27 L28 L29 A41 V45 | S21-L25 WeakPolarHBondContact O-CB 3.47Å; S21-L25 WeakPolarHBondContact O-CD1 3.48Å; S21-L25 WeakPolarHBondContact O-CG 3.24Å; S21-L25 PolarHBondContact O-N 2.96Å; R22-L25 PolarHBondContact O-N 3.17Å; L25-K27 PolarHBondContact O-N 3.06Å; L25-L28 PolarHBondContact O-N 3.33Å; L25-L29 HydrophobicContact CB-CD1 4.43Å; L25-L29 HydrophobicContact CD2-CD1 4.31Å; L25-L29 VanDerWaalsContact O-CB 3.25Å; L25-L29 WeakPolarHBondContact O-CB 3.32Å; L25-L29 WeakPolarHBondContact O-CD1 3.31Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.28Å; L25-L29 PolarHBondContact O-N 3.23Å; L25-A41 HydrophobicContact CD1-CB 3.96Å; L25-A41 HydrophobicContact CD2-CB 4.33Å; L25-V45 HydrophobicContact CD1-CG2 3.89Å |
| 26 | T | 88.4 | Confident | 88.1 | Confident | 60 Ų | 60 | 79 Ų | 79 | 37% | 0.368 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.4 | -53 | 0 | 0 | 0 | 0 | 111.3 | R22 I24 L28 A30 | R22-T26 WeakPolarHBondContact O-CB 3.37Å; R22-T26 PolarHBondContact O-N 2.96Å; R22-T26 PolarHBondContact O-OG1 2.82Å; I24-T26 PolarHBondContact O-N 3.18Å; T26-L28 PolarHBondContact O-N 2.92Å; T26-A30 WeakPolarHBondContact O-CB 3.36Å; T26-A30 PolarHBondContact O-N 3.19Å |
| 27 | K | 88.9 | Confident | 87.5 | Confident | 162 Ų | 162 | 75.7 Ų | 75.7 | 70% | 0.704 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65 | -35.7 | 177.9 | -77.2 | -177.1 | 176.8 | -172.8 | 0 | 113.3 | R23 I24 L25 P31 | R23-K27 VanDerWaalsContact O-CB 3.3Å; R23-K27 WeakPolarHBondContact O-CB 3.38Å; R23-K27 VanDerWaalsContact O-CG 3.25Å; R23-K27 WeakPolarHBondContact O-CG 3.39Å; R23-K27 PolarHBondContact O-N 3.46Å; I24-K27 PolarHBondContact O-N 3.19Å; L25-K27 PolarHBondContact O-N 3.06Å; K27-P31 WeakPolarHBondContact O-CD 3.48Å; K27-P31 VanDerWaalsContact O-CG 3.28Å; K27-P31 WeakPolarHBondContact O-CG 3.48Å |
| 28 | L | 88.3 | Confident | 87.1 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 45% | 0.45 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -80.2 | -31.7 | -178.6 | -71.1 | 179.1 | 0 | 0 | 0 | 113.1 | I24 L25 T26 R32 | I24-L28 HydrophobicContact CG2-CD1 3.52Å; I24-L28 HydrophobicContact CG2-CG 4.1Å; I24-L28 WeakPolarHBondContact O-CB 3.36Å; I24-L28 VanDerWaalsContact O-CG 3.26Å; I24-L28 WeakPolarHBondContact O-CG 3.23Å; I24-L28 PolarHBondContact O-N 3.34Å; L25-L28 PolarHBondContact O-N 3.33Å; T26-L28 PolarHBondContact O-N 2.92Å; L28-R32 WeakPolarHBondContact O-CD 3.31Å; L28-R32 PolarHBondContact O-NH1 2.99Å |
| 29 | L | 84.9 | Confident | 86.9 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -96.2 | -31.8 | -172.7 | -66.1 | 167.6 | 0 | 0 | 0 | 113 | L25 R32 L34 A38 A41 | L25-L29 HydrophobicContact CB-CD1 4.43Å; L25-L29 HydrophobicContact CD2-CD1 4.31Å; L25-L29 VanDerWaalsContact O-CB 3.25Å; L25-L29 WeakPolarHBondContact O-CB 3.32Å; L25-L29 WeakPolarHBondContact O-CD1 3.31Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.28Å; L25-L29 PolarHBondContact O-N 3.23Å; L29-R32 PolarHBondContact O-N 3.24Å; L29-L34 HydrophobicContact CB-CB 4.39Å; L29-L34 HydrophobicContact CD2-CB 4.13Å; L29-L34 HydrophobicContact CD2-CD2 4.12Å; L29-L34 PolarHBondContact O-N 2.71Å; L29-A38 HydrophobicContact CB-CB 3.83Å; L29-A38 HydrophobicContact CD1-CB 4.1Å; L29-A41 HydrophobicContact CD1-CB 4.47Å |
| 30 | A | 77.4 | Confident | 86.8 | Confident | 46 Ų | 46 | 74.7 Ų | 74.7 | 38% | 0.38 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -62.7 | -44.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T26 R32 | T26-A30 WeakPolarHBondContact O-CB 3.36Å; T26-A30 PolarHBondContact O-N 3.19Å; A30-R32 PolarHBondContact O-N 2.96Å |
| 31 | P | 77.5 | Confident | 86.7 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 71% | 0.708 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -69.5 | -16.6 | 179.7 | -19.3 | 33.1 | 0 | 0 | 0 | 114 | K27 | K27-P31 WeakPolarHBondContact O-CD 3.48Å; K27-P31 VanDerWaalsContact O-CG 3.28Å; K27-P31 WeakPolarHBondContact O-CG 3.48Å |
| 32 | R | 76.3 | Confident | 86.7 | Confident | 164 Ų | 164 | 69.2 Ų | 69.2 | 62% | 0.619 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -92.3 | 5.4 | -174.8 | -64.9 | -174.5 | 172.3 | 120.4 | -9.8 | 113.7 | L28 L29 A30 L34 | L28-R32 WeakPolarHBondContact O-CD 3.31Å; L28-R32 PolarHBondContact O-NH1 2.99Å; L29-R32 PolarHBondContact O-N 3.24Å; A30-R32 PolarHBondContact O-N 2.96Å; R32-L34 HydrophobicContact CB-CD1 4.02Å; R32-L34 WeakPolarHBondContact O-CD1 3.41Å; R32-L34 PolarHBondContact O-N 2.98Å |
| 33 | G | 74.2 | Confident | 86.8 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 7.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C35 | G33-C35 VanDerWaalsContact C-N 3.31Å; G33-C35 PolarHBondContact O-N 3.5Å |
| 34 | L | 81.2 | Confident | 87.1 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 42% | 0.419 | 37% | 0.37 | S | S | . | . | trans | -94.1 | 36.2 | -179.7 | -85.4 | 77.5 | 0 | 0 | 0 | 112.2 | L29 R32 L36 S37 A38 | L29-L34 HydrophobicContact CB-CB 4.39Å; L29-L34 HydrophobicContact CD2-CB 4.13Å; L29-L34 HydrophobicContact CD2-CD2 4.12Å; L29-L34 PolarHBondContact O-N 2.71Å; R32-L34 HydrophobicContact CB-CD1 4.02Å; R32-L34 WeakPolarHBondContact O-CD1 3.41Å; R32-L34 PolarHBondContact O-N 2.98Å; L34-L36 PolarHBondContact O-N 2.9Å; L34-S37 WeakPolarHBondContact O-CB 3.29Å; L34-S37 PolarHBondContact O-N 3.44Å; L34-A38 PolarHBondContact O-N 3.31Å; L34-A38 VanDerWaalsContact O-N 3.09Å | ||
| 35 | C | 76.9 | Confident | 87.3 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 49% | 0.493 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.9 | -36.1 | -177.4 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | G33 A38 V39 | G33-C35 VanDerWaalsContact C-N 3.31Å; G33-C35 PolarHBondContact O-N 3.5Å; C35-A38 WeakPolarHBondContact O-CB 3.42Å; C35-A38 PolarHBondContact O-N 2.9Å; C35-V39 PolarHBondContact O-N 3.23Å; C35-V39 VanDerWaalsContact O-N 3.16Å |
| 36 | L | 80.8 | Confident | 87.7 | Confident | 118 Ų | 118 | 59.9 Ų | 59.9 | 62% | 0.618 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 174.8 | -75.9 | 165.3 | 0 | 0 | 0 | 111.9 | L34 A38 V39 Y40 | L34-L36 PolarHBondContact O-N 2.9Å; L36-A38 VanDerWaalsContact C-N 3.27Å; L36-A38 PolarHBondContact O-N 3.43Å; L36-V39 WeakPolarHBondContact O-CB 3.46Å; L36-V39 PolarHBondContact O-N 2.89Å; L36-Y40 HydrophobicContact CB-CE2 4.2Å; L36-Y40 WeakPolarHBondContact O-CD2 3.31Å; L36-Y40 WeakPolarHBondContact O-CE2 3.32Å; L36-Y40 PolarHBondContact O-N 2.89Å |
| 37 | S | 85.6 | Confident | 88.2 | Confident | 52 Ų | 52 | 57 Ų | 57 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 176.4 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | L34 Y40 A41 | L34-S37 WeakPolarHBondContact O-CB 3.29Å; L34-S37 PolarHBondContact O-N 3.44Å; S37-Y40 PolarHBondContact O-N 3.42Å; S37-A41 WeakPolarHBondContact O-CB 3.48Å; S37-A41 PolarHBondContact O-N 3.01Å |
| 38 | A | 89.8 | Confident | 88.7 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L29 L34 C35 L36 A41 V42 | L29-A38 HydrophobicContact CB-CB 3.83Å; L29-A38 HydrophobicContact CD1-CB 4.1Å; L34-A38 PolarHBondContact O-N 3.31Å; L34-A38 VanDerWaalsContact O-N 3.09Å; C35-A38 WeakPolarHBondContact O-CB 3.42Å; C35-A38 PolarHBondContact O-N 2.9Å; L36-A38 VanDerWaalsContact C-N 3.27Å; L36-A38 PolarHBondContact O-N 3.43Å; A38-A41 PolarHBondContact O-N 3.42Å; A38-V42 WeakPolarHBondContact O-CB 3.35Å; A38-V42 VanDerWaalsContact O-CG2 3.24Å; A38-V42 WeakPolarHBondContact O-CG2 3.48Å; A38-V42 PolarHBondContact O-N 2.89Å |
| 39 | V | 92.6 | Very high | 89.2 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | C35 L36 V42 E43 | C35-V39 PolarHBondContact O-N 3.23Å; C35-V39 VanDerWaalsContact O-N 3.16Å; L36-V39 WeakPolarHBondContact O-CB 3.46Å; L36-V39 PolarHBondContact O-N 2.89Å; V39-V42 PolarHBondContact O-N 3.38Å; V39-E43 WeakPolarHBondContact O-CB 2.96Å; V39-E43 PolarHBondContact O-N 3.38Å |
| 40 | Y | 95.6 | Very high | 89.8 | Confident | 35 Ų | 35 | 46 Ų | 46 | 14% | 0.137 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 179.7 | -57.1 | -56 | 0 | 0 | 0 | 112.4 | L36 S37 E43 L44 S109 L112 R113 | L36-Y40 HydrophobicContact CB-CE2 4.2Å; L36-Y40 WeakPolarHBondContact O-CD2 3.31Å; L36-Y40 WeakPolarHBondContact O-CE2 3.32Å; L36-Y40 PolarHBondContact O-N 2.89Å; S37-Y40 PolarHBondContact O-N 3.42Å; Y40-E43 WeakPolarHBondContact O-CB 3.48Å; Y40-E43 PolarHBondContact O-N 3.25Å; Y40-L44 WeakPolarHBondContact O-CB 3.26Å; Y40-L44 PolarHBondContact O-N 3.32Å; Y40-S109 PolarHBondContact OH-OG 3.41Å; Y40-L112 HydrophobicContact CD1-CB 4.18Å; Y40-L112 HydrophobicContact CD1-CD2 4.04Å; Y40-L112 HydrophobicContact CD1-CG 3.71Å; Y40-L112 HydrophobicContact CD2-CD2 3.61Å; Y40-L112 HydrophobicContact CD2-CG 4.13Å; Y40-L112 HydrophobicContact CE1-CB 3.73Å; Y40-L112 HydrophobicContact CE1-CD2 3.77Å; Y40-L112 HydrophobicContact CE1-CG 3.66Å; Y40-L112 HydrophobicContact CE2-CD2 3.32Å; Y40-L112 HydrophobicContact CE2-CG 4.1Å; Y40-L112 HydrophobicContact CG-CD2 3.98Å; Y40-L112 HydrophobicContact CG-CG 3.96Å; Y40-L112 VanDerWaalsContact CZ-CD2 3.41Å; Y40-R113 HydrophobicContact CD1-CG 3.94Å; Y40-R113 HydrophobicContact CE1-CG 3.95Å |
| 41 | A | 94.8 | Very high | 90.8 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L25 L29 S37 A38 L44 V45 | L25-A41 HydrophobicContact CD1-CB 3.96Å; L25-A41 HydrophobicContact CD2-CB 4.33Å; L29-A41 HydrophobicContact CD1-CB 4.47Å; S37-A41 WeakPolarHBondContact O-CB 3.48Å; S37-A41 PolarHBondContact O-N 3.01Å; A38-A41 PolarHBondContact O-N 3.42Å; A41-L44 PolarHBondContact O-N 2.99Å; A41-V45 VanDerWaalsContact O-CG2 3.31Å; A41-V45 WeakPolarHBondContact O-CG2 3.43Å; A41-V45 PolarHBondContact O-N 3.41Å |
| 42 | V | 96.2 | Very high | 91.8 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 173.3 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | R22 A38 V39 V45 S46 H87 A89 | R22-V42 HydrophobicContact CG-CG1 4.44Å; R22-V42 HydrophobicContact CG-CG2 4.33Å; A38-V42 WeakPolarHBondContact O-CB 3.35Å; A38-V42 VanDerWaalsContact O-CG2 3.24Å; A38-V42 WeakPolarHBondContact O-CG2 3.48Å; A38-V42 PolarHBondContact O-N 2.89Å; V39-V42 PolarHBondContact O-N 3.38Å; V42-V45 PolarHBondContact O-N 3.3Å; V42-S46 VanDerWaalsContact O-CB 3.23Å; V42-S46 WeakPolarHBondContact O-CB 3.48Å; V42-S46 PolarHBondContact O-N 2.88Å; V42-S46 PolarHBondContact O-OG 3.47Å; V42-H87 HydrophobicContact CG1-CB 4.07Å; V42-A89 HydrophobicContact CG1-CB 4.23Å |
| 43 | E | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 175.1 | -166.7 | 72.8 | -141.2 | 0 | 0 | 112.1 | V39 Y40 T47 A89 L90 G91 R113 C116 Q117 | V39-E43 WeakPolarHBondContact O-CB 2.96Å; V39-E43 PolarHBondContact O-N 3.38Å; Y40-E43 WeakPolarHBondContact O-CB 3.48Å; Y40-E43 PolarHBondContact O-N 3.25Å; E43-T47 WeakPolarHBondContact O-CB 3.38Å; E43-T47 PolarHBondContact O-N 3Å; E43-T47 PolarHBondContact O-OG1 3.33Å; E43-A89 WeakPolarHBondContact OE2-CA 3.29Å; E43-L90 PolarHBondContact OE1-N 2.99Å; E43-L90 PolarHBondContact OE2-N 3.2Å; E43-G91 PolarHBondContact OE1-N 3.46Å; E43-R113 HydrophobicContact CG-CB 4.06Å; E43-R113 HydrophobicContact CG-CG 4.05Å; E43-R113 IonicContact OE2-CZ 3.14Å; E43-R113 IonicContact OE2-NE 3.65Å; E43-R113 IonicContact OE2-NH1 3.05Å; E43-R113 PolarHBondContact OE2-NH1 3.39Å; E43-C116 HydrophobicContact CB-CB 4.39Å; E43-C116 HydrophobicContact CG-CB 4.31Å; E43-Q117 HydrophobicContact CG-CG 4.13Å; E43-Q117 PolarHBondContact OE1-NE2 3.26Å |
| 44 | L | 98.3 | Very high | 94 | Very high | 67 Ų | 67 | 30 Ų | 30 | 35% | 0.351 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.6 | -53.3 | 176.5 | -176.3 | 79.5 | 0 | 0 | 0 | 111.1 | Y40 A41 S46 T47 L48 C116 M119 A120 | Y40-L44 WeakPolarHBondContact O-CB 3.26Å; Y40-L44 PolarHBondContact O-N 3.32Å; A41-L44 PolarHBondContact O-N 2.99Å; L44-S46 PolarHBondContact O-N 3.47Å; L44-T47 PolarHBondContact O-N 3.26Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 PolarHBondContact O-N 3.48Å; L44-C116 HydrophobicContact CB-CB 4.22Å; L44-C116 HydrophobicContact CD1-CB 4.37Å; L44-C116 WeakPolarHBondContact CD1-O 3.48Å; L44-M119 HydrophobicContact CD1-CB 4.09Å; L44-A120 HydrophobicContact CD1-CB 3.98Å; L44-A120 VanDerWaalsContact O-CB 3.31Å; L44-A120 WeakPolarHBondContact O-CB 3.47Å |
| 45 | V | 98.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 26.7 Ų | 26.7 | 10% | 0.097 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | -175.9 | 175.9 | 0 | 0 | 0 | 0 | 112 | C18 R22 L25 A41 V42 L48 Q49 | C18-V45 HydrophobicContact CB-CG1 3.75Å; C18-V45 WeakPolarHBondContact O-CG1 3.23Å; R22-V45 HydrophobicContact CG-CB 4.06Å; R22-V45 HydrophobicContact CG-CG1 3.81Å; L25-V45 HydrophobicContact CD1-CG2 3.89Å; A41-V45 VanDerWaalsContact O-CG2 3.31Å; A41-V45 WeakPolarHBondContact O-CG2 3.43Å; A41-V45 PolarHBondContact O-N 3.41Å; V42-V45 PolarHBondContact O-N 3.3Å; V45-L48 WeakPolarHBondContact O-CB 3.27Å; V45-L48 PolarHBondContact O-N 2.93Å; V45-Q49 PolarHBondContact O-N 3.01Å |
| 46 | S | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 176.7 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | R22 V42 L44 L48 Q49 L50 F86 | R22-S46 WeakPolarHBondContact CD-OG 3.14Å; V42-S46 VanDerWaalsContact O-CB 3.23Å; V42-S46 WeakPolarHBondContact O-CB 3.48Å; V42-S46 PolarHBondContact O-N 2.88Å; V42-S46 PolarHBondContact O-OG 3.47Å; L44-S46 PolarHBondContact O-N 3.47Å; S46-L48 VanDerWaalsContact C-N 3.32Å; S46-L48 PolarHBondContact O-N 3.2Å; S46-Q49 WeakPolarHBondContact O-CB 3.26Å; S46-Q49 PolarHBondContact O-N 2.91Å; S46-L50 PolarHBondContact O-N 3.48Å; S46-F86 VanDerWaalsContact O-CE1 3.3Å; S46-F86 WeakPolarHBondContact O-CE1 3.33Å; S46-F86 VanDerWaalsContact O-CZ 3.23Å; S46-F86 WeakPolarHBondContact O-CZ 3.48Å; S46-F86 WeakPolarHBondContact OG-CA 3.22Å; S46-F86 PolarHBondContact OG-O 2.98Å |
| 47 | T | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.4 | -33 | 176.8 | -46.8 | 0 | 0 | 0 | 0 | 111.6 | E43 L44 L50 C51 G91 Q117 A120 A223 | E43-T47 WeakPolarHBondContact O-CB 3.38Å; E43-T47 PolarHBondContact O-N 3Å; E43-T47 PolarHBondContact O-OG1 3.33Å; L44-T47 PolarHBondContact O-N 3.26Å; T47-L50 WeakPolarHBondContact O-CB 3.4Å; T47-L50 PolarHBondContact O-N 2.63Å; T47-C51 WeakPolarHBondContact O-CB 3.42Å; T47-C51 PolarHBondContact O-N 3.39Å; T47-C51 PolarHBondContact O-SG 2.94Å; T47-G91 WeakPolarHBondContact OG1-CA 3.41Å; T47-Q117 HydrophobicContact CG2-CB 4.03Å; T47-Q117 HydrophobicContact CG2-CG 4.21Å; T47-Q117 WeakPolarHBondContact OG1-CG 3.44Å; T47-A120 HydrophobicContact CG2-CB 4.02Å; T47-A223 HydrophobicContact CG2-CB 4.45Å |
| 48 | L | 98.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 18 Ų | 18 | 13% | 0.131 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 173.9 | -177.2 | 73.8 | 0 | 0 | 0 | 110.4 | F14 L44 V45 S46 L50 C51 I52 A120 V123 A124 M127 | F14-L48 HydrophobicContact CE1-CD2 4.44Å; F14-L48 HydrophobicContact CE1-CG 4.24Å; F14-L48 HydrophobicContact CZ-CD2 3.92Å; F14-L48 HydrophobicContact CZ-CG 4.06Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 PolarHBondContact O-N 3.48Å; V45-L48 WeakPolarHBondContact O-CB 3.27Å; V45-L48 PolarHBondContact O-N 2.93Å; S46-L48 VanDerWaalsContact C-N 3.32Å; S46-L48 PolarHBondContact O-N 3.2Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.26Å; L48-C51 PolarHBondContact O-N 3.08Å; L48-I52 HydrophobicContact CD1-CD1 4.08Å; L48-I52 HydrophobicContact CG-CD1 4.13Å; L48-I52 PolarHBondContact O-N 2.95Å; L48-A120 HydrophobicContact CB-CB 4.14Å; L48-V123 HydrophobicContact CD1-CB 4.22Å; L48-V123 HydrophobicContact CD1-CG1 3.9Å; L48-A124 HydrophobicContact CD1-CB 3.86Å; L48-M127 HydrophobicContact CD1-SD 4.22Å; L48-M127 HydrophobicContact CD2-SD 4.39Å |
| 49 | Q | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 173.8 | -170.6 | -173 | -51.6 | 0 | 0 | 111.3 | V15 C18 R22 V45 S46 C51 C53 H82 T85 | V15-Q49 HydrophobicContact CG2-CG 4.01Å; C18-Q49 HydrophobicContact CB-CB 4.08Å; C18-Q49 HydrophobicContact CB-CG 4.23Å; C18-Q49 VanDerWaalsContact CB-OE1 3.31Å; R22-Q49 VanDerWaalsContact CZ-OE1 3.29Å; V45-Q49 PolarHBondContact O-N 3.01Å; S46-Q49 WeakPolarHBondContact O-CB 3.26Å; S46-Q49 PolarHBondContact O-N 2.91Å; Q49-C51 VanDerWaalsContact C-N 3.34Å; Q49-C51 PolarHBondContact O-N 2.91Å; Q49-C53 VanDerWaalsContact O-CB 3.29Å; Q49-C53 WeakPolarHBondContact O-CB 3.35Å; Q49-C53 PolarHBondContact O-N 3.36Å; Q49-C53 PolarHBondContact O-SG 3.45Å; Q49-H82 PolarHBondContact NE2-ND1 2.82Å; Q49-T85 PolarHBondContact NE2-OG1 3.38Å |
| 50 | L | 98.5 | Very high | 97.2 | Very high | 20 Ų | 20 | 15.3 Ų | 15.3 | 11% | 0.105 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -54.2 | -51.4 | 177.3 | -172 | 59.6 | 0 | 0 | 0 | 111.6 | S46 T47 L48 N54 F86 L224 | S46-L50 PolarHBondContact O-N 3.48Å; T47-L50 WeakPolarHBondContact O-CB 3.4Å; T47-L50 PolarHBondContact O-N 2.63Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.26Å; L50-N54 PolarHBondContact O-N 2.95Å; L50-N54 VanDerWaalsContact O-N 3.09Å; L50-N54 PolarHBondContact O-ND2 3.33Å; L50-F86 HydrophobicContact CB-CE2 4.44Å; L50-F86 HydrophobicContact CB-CZ 3.79Å; L50-F86 HydrophobicContact CD1-CZ 4.14Å; L50-F86 HydrophobicContact CG-CZ 4.38Å; L50-L224 HydrophobicContact CD2-CD2 4.49Å; L50-L224 HydrophobicContact CG-CD1 4.26Å; L50-L224 HydrophobicContact CG-CD2 4.41Å |
| 51 | C | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.9 | -44.2 | -173.3 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | T47 L48 Q49 N54 L55 A124 L224 | T47-C51 WeakPolarHBondContact O-CB 3.42Å; T47-C51 PolarHBondContact O-N 3.39Å; T47-C51 PolarHBondContact O-SG 2.94Å; L48-C51 PolarHBondContact O-N 3.08Å; Q49-C51 VanDerWaalsContact C-N 3.34Å; Q49-C51 PolarHBondContact O-N 2.91Å; C51-N54 PolarHBondContact O-N 3.32Å; C51-L55 WeakPolarHBondContact O-CB 3.46Å; C51-L55 VanDerWaalsContact O-CG 3.29Å; C51-L55 WeakPolarHBondContact O-CG 3.2Å; C51-L55 PolarHBondContact O-N 3.36Å; C51-A124 HydrophobicContact CB-CB 3.3Å; C51-L224 HydrophobicContact CB-CD1 4.46Å |
| 52 | I | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.2 | -79.2 | 171.6 | 0 | 0 | 0 | 111 | F14 L48 N54 L55 E56 A124 M127 L128 | F14-I52 HydrophobicContact CB-CG2 4.47Å; F14-I52 HydrophobicContact CD1-CB 3.97Å; F14-I52 HydrophobicContact CD1-CD1 4.12Å; F14-I52 HydrophobicContact CD1-CG2 3.59Å; F14-I52 HydrophobicContact CD2-CD1 4.32Å; F14-I52 HydrophobicContact CD2-CG2 4.36Å; F14-I52 HydrophobicContact CE1-CB 3.84Å; F14-I52 HydrophobicContact CE1-CD1 3.33Å; F14-I52 HydrophobicContact CE1-CG1 4.11Å; F14-I52 HydrophobicContact CE1-CG2 3.93Å; F14-I52 HydrophobicContact CE2-CD1 3.59Å; F14-I52 HydrophobicContact CG-CG2 3.86Å; F14-I52 HydrophobicContact CZ-CB 4.45Å; F14-I52 HydrophobicContact CZ-CD1 3.05Å; F14-I52 HydrophobicContact CZ-CG1 4.26Å; F14-I52 HydrophobicContact CZ-CG2 4.48Å; L48-I52 HydrophobicContact CD1-CD1 4.08Å; L48-I52 HydrophobicContact CG-CD1 4.13Å; L48-I52 PolarHBondContact O-N 2.95Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 3.15Å; I52-L55 PolarHBondContact O-N 2.83Å; I52-E56 PolarHBondContact O-N 2.91Å; I52-E56 VanDerWaalsContact O-N 3.09Å; I52-A124 HydrophobicContact CD1-CB 4.32Å; I52-A124 HydrophobicContact CG1-CB 3.74Å; I52-M127 HydrophobicContact CD1-CB 4.43Å; I52-L128 HydrophobicContact CG1-CB 4.46Å; I52-L128 HydrophobicContact CG2-CD1 4.14Å |
| 53 | C | 98.2 | Very high | 96 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.034 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 177.5 | -70.9 | 0 | 0 | 0 | 0 | 111.8 | L11 Q49 E56 L57 H82 | L11-C53 HydrophobicContact CD2-CB 4.07Å; Q49-C53 VanDerWaalsContact O-CB 3.29Å; Q49-C53 WeakPolarHBondContact O-CB 3.35Å; Q49-C53 PolarHBondContact O-N 3.36Å; Q49-C53 PolarHBondContact O-SG 3.45Å; C53-E56 PolarHBondContact O-N 3.39Å; C53-L57 WeakPolarHBondContact O-CB 3.33Å; C53-L57 WeakPolarHBondContact O-CG 3.41Å; C53-L57 PolarHBondContact O-N 3.25Å; C53-H82 VanDerWaalsContact SG-CE1 3.6Å |
| 54 | N | 97.8 | Very high | 95.2 | Very high | 44 Ų | 44 | 21 Ų | 21 | 24% | 0.235 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.8 | -35.6 | -179.1 | -83.5 | -88.7 | 0 | 0 | 0 | 113.6 | L50 C51 I52 R58 L224 T228 | L50-N54 PolarHBondContact O-N 2.95Å; L50-N54 VanDerWaalsContact O-N 3.09Å; L50-N54 PolarHBondContact O-ND2 3.33Å; C51-N54 PolarHBondContact O-N 3.32Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 3.15Å; N54-R58 VanDerWaalsContact O-CB 3.27Å; N54-R58 WeakPolarHBondContact O-CB 3.26Å; N54-R58 PolarHBondContact O-N 2.96Å; N54-L224 HydrophobicContact CB-CD1 3.74Å; N54-T228 HydrophobicContact CB-CG2 4.26Å |
| 55 | L | 97.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 174.8 | -74.8 | 165.4 | 0 | 0 | 0 | 111.5 | C51 I52 R58 L59 A124 R125 L128 W132 S227 T228 | C51-L55 WeakPolarHBondContact O-CB 3.46Å; C51-L55 VanDerWaalsContact O-CG 3.29Å; C51-L55 WeakPolarHBondContact O-CG 3.2Å; C51-L55 PolarHBondContact O-N 3.36Å; I52-L55 PolarHBondContact O-N 2.83Å; L55-R58 WeakPolarHBondContact O-CB 3.44Å; L55-R58 PolarHBondContact O-N 3.46Å; L55-L59 PolarHBondContact O-N 3.16Å; L55-A124 HydrophobicContact CD1-CB 4.48Å; L55-R125 HydrophobicContact CD1-CB 4.45Å; L55-L128 HydrophobicContact CB-CD2 3.23Å; L55-L128 HydrophobicContact CD1-CB 4.32Å; L55-L128 HydrophobicContact CD1-CD2 3.88Å; L55-L128 HydrophobicContact CG-CD2 4.2Å; L55-W132 HydrophobicContact CB-CH2 4.18Å; L55-W132 HydrophobicContact CB-CZ2 4.28Å; L55-S227 WeakPolarHBondContact CD1-OG 3.2Å; L55-T228 HydrophobicContact CD2-CG2 3.96Å; L55-T228 HydrophobicContact CG-CG2 4.11Å |
| 56 | E | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.3 | -39 | 177.9 | -172.5 | 68 | -174.7 | 0 | 0 | 112.1 | S7 L11 I52 C53 R58 L59 L60 L128 W132 H140 | S7-E56 WeakPolarHBondContact CA-OE1 3.17Å; S7-E56 WeakPolarHBondContact CB-OE1 3.25Å; S7-E56 PolarHBondContact OG-OE1 2.93Å; L11-E56 HydrophobicContact CD1-CG 4.27Å; L11-E56 HydrophobicContact CD2-CB 3.7Å; L11-E56 HydrophobicContact CD2-CG 3.94Å; L11-E56 HydrophobicContact CG-CB 4.23Å; L11-E56 HydrophobicContact CG-CG 3.9Å; I52-E56 PolarHBondContact O-N 2.91Å; I52-E56 VanDerWaalsContact O-N 3.09Å; C53-E56 PolarHBondContact O-N 3.39Å; E56-R58 VanDerWaalsContact C-N 3.3Å; E56-R58 PolarHBondContact O-N 3.3Å; E56-L59 WeakPolarHBondContact O-CB 3.47Å; E56-L59 PolarHBondContact O-N 3.25Å; E56-L60 WeakPolarHBondContact O-CG 3.5Å; E56-L60 PolarHBondContact O-N 3.41Å; E56-L128 HydrophobicContact CB-CD2 4.43Å; E56-W132 PolarHBondContact OE2-NE1 3.34Å; E56-H140 IonicContact OE1-CD2 3.59Å; E56-H140 IonicContact OE1-CE1 3.61Å; E56-H140 IonicContact OE1-NE2 3.6Å; E56-H140 PolarHBondContact OE1-NE2 3.37Å; E56-H140 IonicContact OE2-NE2 2.95Å |
| 57 | L | 95.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.099 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 173.6 | -74.1 | 178.7 | 0 | 0 | 0 | 112 | L11 C53 L60 G61 L74 A78 | L11-L57 HydrophobicContact CD1-CD2 4.02Å; L11-L57 HydrophobicContact CD1-CG 4.37Å; C53-L57 WeakPolarHBondContact O-CB 3.33Å; C53-L57 WeakPolarHBondContact O-CG 3.41Å; C53-L57 PolarHBondContact O-N 3.25Å; L57-L60 HydrophobicContact CD2-CD1 4.39Å; L57-L60 WeakPolarHBondContact O-CB 3.41Å; L57-L60 PolarHBondContact O-N 2.92Å; L57-G61 PolarHBondContact O-N 2.87Å; L57-L74 HydrophobicContact CD2-CB 3.6Å; L57-L74 HydrophobicContact CD2-CD1 4.16Å; L57-L74 HydrophobicContact CD2-CG 4.43Å; L57-A78 HydrophobicContact CD1-CB 3.68Å |
| 58 | R | 94.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 15% | 0.151 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 173.3 | -179 | -175.5 | 179.6 | 179.3 | 7.7 | 111.2 | N54 L55 E56 L60 G61 E62 I151 T228 C232 | N54-R58 VanDerWaalsContact O-CB 3.27Å; N54-R58 WeakPolarHBondContact O-CB 3.26Å; N54-R58 PolarHBondContact O-N 2.96Å; L55-R58 WeakPolarHBondContact O-CB 3.44Å; L55-R58 PolarHBondContact O-N 3.46Å; E56-R58 VanDerWaalsContact C-N 3.3Å; E56-R58 PolarHBondContact O-N 3.3Å; R58-L60 VanDerWaalsContact C-N 3.26Å; R58-L60 PolarHBondContact O-N 3.47Å; R58-G61 PolarHBondContact O-N 2.99Å; R58-E62 HydrophobicContact CG-CG 4.21Å; R58-E62 IonicContact CZ-OE1 3.3Å; R58-E62 VanDerWaalsContact CZ-OE1 3.3Å; R58-E62 IonicContact CZ-OE2 3.67Å; R58-E62 IonicContact NE-OE1 2.77Å; R58-E62 PolarHBondContact NE-OE1 2.89Å; R58-E62 IonicContact NE-OE2 3.05Å; R58-E62 PolarHBondContact NE-OE2 3.33Å; R58-E62 IonicContact NH2-OE1 2.95Å; R58-E62 PolarHBondContact NH2-OE1 3.4Å; R58-E62 IonicContact NH2-OE2 3.66Å; R58-E62 PolarHBondContact O-N 2.84Å; R58-I151 PolarHBondContact NH2-O 2.84Å; R58-T228 PolarHBondContact NH1-O 3.04Å; R58-C232 VanDerWaalsContact CZ-SG 3.59Å; R58-C232 PolarHBondContact NH1-SG 2.89Å; R58-C232 PolarHBondContact NH2-SG 3.46Å; R58-C232 VanDerWaalsContact NH2-SG 3.39Å |
| 59 | L | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.2 | -42.7 | 176.4 | 177.4 | 65.3 | 0 | 0 | 0 | 111.6 | L55 E56 G61 E63 G64 W132 L139 H143 | L55-L59 PolarHBondContact O-N 3.16Å; E56-L59 WeakPolarHBondContact O-CB 3.47Å; E56-L59 PolarHBondContact O-N 3.25Å; L59-G61 VanDerWaalsContact C-N 3.32Å; L59-G61 PolarHBondContact O-N 2.62Å; L59-E63 HydrophobicContact CD1-CB 3.73Å; L59-E63 HydrophobicContact CD1-CG 3.72Å; L59-E63 PolarHBondContact O-N 2.98Å; L59-G64 PolarHBondContact O-N 2.96Å; L59-W132 HydrophobicContact CB-CZ2 4.14Å; L59-W132 HydrophobicContact CD2-CD2 4.45Å; L59-W132 HydrophobicContact CD2-CZ2 4.1Å; L59-L139 HydrophobicContact CD1-CD1 4.49Å; L59-L139 HydrophobicContact CD1-CG 4.49Å; L59-L139 HydrophobicContact CD2-CD2 4.26Å; L59-L139 HydrophobicContact CD2-CG 4.14Å; L59-L139 HydrophobicContact CG-CD1 4.42Å; L59-L139 HydrophobicContact CG-CD2 4.15Å; L59-L139 HydrophobicContact CG-CG 4.08Å; L59-H143 HydrophobicContact CD1-CB 3.64Å; L59-H143 VanDerWaalsContact CD1-CG 3.42Å |
| 60 | L | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -35.2 | 175.7 | -76 | 169.6 | 0 | 0 | 0 | 113.2 | V4 E56 L57 R58 G64 R65 L66 L74 L139 | V4-L60 HydrophobicContact CB-CD2 4.28Å; V4-L60 HydrophobicContact CG1-CD2 4.25Å; V4-L60 HydrophobicContact CG2-CD2 4.07Å; E56-L60 WeakPolarHBondContact O-CG 3.5Å; E56-L60 PolarHBondContact O-N 3.41Å; L57-L60 HydrophobicContact CD2-CD1 4.39Å; L57-L60 WeakPolarHBondContact O-CB 3.41Å; L57-L60 PolarHBondContact O-N 2.92Å; R58-L60 VanDerWaalsContact C-N 3.26Å; R58-L60 PolarHBondContact O-N 3.47Å; L60-G64 CarbonylContact O-C 3.32Å; L60-G64 VanDerWaalsContact O-C 3.32Å; L60-G64 WeakPolarHBondContact O-CA 3.36Å; L60-G64 PolarHBondContact O-N 3Å; L60-R65 PolarHBondContact O-N 3.3Å; L60-L66 HydrophobicContact CB-CD1 3.86Å; L60-L66 HydrophobicContact CD2-CD1 4.26Å; L60-L66 HydrophobicContact CG-CD1 4.5Å; L60-L66 PolarHBondContact O-N 3.47Å; L60-L74 HydrophobicContact CD1-CD1 4.32Å; L60-L139 HydrophobicContact CD2-CD2 3.72Å; L60-L139 HydrophobicContact CG-CD2 4.42Å |
| 61 | G | 90.6 | Very high | 92.7 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.5 | -48.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L57 R58 L59 | L57-G61 PolarHBondContact O-N 2.87Å; R58-G61 PolarHBondContact O-N 2.99Å; L59-G61 VanDerWaalsContact C-N 3.32Å; L59-G61 PolarHBondContact O-N 2.62Å |
| 62 | E | 87.2 | Confident | 92.6 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -79.3 | -56.9 | -173.5 | -67.5 | 179.2 | 168.2 | 0 | 0 | 112 | R58 | R58-E62 HydrophobicContact CG-CG 4.21Å; R58-E62 IonicContact CZ-OE1 3.3Å; R58-E62 VanDerWaalsContact CZ-OE1 3.3Å; R58-E62 IonicContact CZ-OE2 3.67Å; R58-E62 IonicContact NE-OE1 2.77Å; R58-E62 PolarHBondContact NE-OE1 2.89Å; R58-E62 IonicContact NE-OE2 3.05Å; R58-E62 PolarHBondContact NE-OE2 3.33Å; R58-E62 IonicContact NH2-OE1 2.95Å; R58-E62 PolarHBondContact NH2-OE1 3.4Å; R58-E62 IonicContact NH2-OE2 3.66Å; R58-E62 PolarHBondContact O-N 2.84Å |
| 63 | E | 84.9 | Confident | 92.5 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 23% | 0.229 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -30.9 | -176 | -68 | -59.7 | 131.9 | 0 | 0 | 112.6 | L59 R65 L139 R142 Q146 | L59-E63 HydrophobicContact CD1-CB 3.73Å; L59-E63 HydrophobicContact CD1-CG 3.72Å; L59-E63 PolarHBondContact O-N 2.98Å; E63-R65 PolarHBondContact O-N 3.21Å; E63-L139 VanDerWaalsContact C-CD1 3.47Å; E63-L139 HydrophobicContact CB-CD1 3.52Å; E63-R142 PolarHBondContact O-NH2 3.38Å; E63-Q146 VanDerWaalsContact CD-OE1 3.29Å; E63-Q146 PolarHBondContact OE1-OE1 3.2Å; E63-Q146 PolarHBondContact OE2-NE2 2.93Å; E63-Q146 PolarHBondContact OE2-OE1 3.36Å |
| 64 | G | 81.9 | Confident | 92.5 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -73.4 | -16.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L59 L60 L66 | L59-G64 PolarHBondContact O-N 2.96Å; L60-G64 CarbonylContact O-C 3.32Å; L60-G64 VanDerWaalsContact O-C 3.32Å; L60-G64 WeakPolarHBondContact O-CA 3.36Å; L60-G64 PolarHBondContact O-N 3Å; G64-L66 PolarHBondContact O-N 3.46Å; G64-L66 VanDerWaalsContact O-N 3.11Å |
| 65 | R | 84.4 | Confident | 92.5 | Very high | 216 Ų | 216 | 52.8 Ų | 52.8 | 82% | 0.815 | 27% | 0.271 | S | S | * | . | trans | 47.4 | 36.5 | -177.8 | -60.5 | -176.2 | 176.8 | -176.6 | -1.4 | 112.5 | L60 E63 | L60-R65 PolarHBondContact O-N 3.3Å; E63-R65 PolarHBondContact O-N 3.21Å | ||
| 66 | L | 88.8 | Confident | 92.5 | Very high | 37 Ų | 37 | 56.2 Ų | 56.2 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | trans | -60.8 | 142 | 175.2 | -75.9 | -177.5 | 0 | 0 | 0 | 109.7 | V4 L60 G64 C71 L74 | V4-L66 HydrophobicContact CG1-CD1 4.43Å; V4-L66 HydrophobicContact CG1-CD2 4.34Å; V4-L66 HydrophobicContact CG2-CD2 3.91Å; V4-L66 HydrophobicContact CG2-CG 4.46Å; L60-L66 HydrophobicContact CB-CD1 3.86Å; L60-L66 HydrophobicContact CD2-CD1 4.26Å; L60-L66 HydrophobicContact CG-CD1 4.5Å; L60-L66 PolarHBondContact O-N 3.47Å; G64-L66 PolarHBondContact O-N 3.46Å; G64-L66 VanDerWaalsContact O-N 3.11Å; L66-C71 VanDerWaalsContact CB-SG 3.56Å; L66-L74 HydrophobicContact CD1-CD1 3.87Å | ||
| 67 | Q | 91.1 | Very high | 92.6 | Very high | 107 Ų | 107 | 60.9 Ų | 60.9 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | trans | -62.2 | 144.6 | 176.6 | -55.3 | 176.6 | -43.5 | 0 | 0 | 109.4 | Q69 F70 C71 | Q67-Q69 VanDerWaalsContact CB-CD 3.45Å; Q67-Q69 HydrophobicContact CB-CG 4.36Å; Q67-Q69 VanDerWaalsContact CB-NE2 3.34Å; Q67-Q69 VanDerWaalsContact CD-NE2 3.33Å; Q67-Q69 PolarHBondContact O-N 3.03Å; Q67-F70 HydrophobicContact CB-CD2 3.96Å; Q67-F70 HydrophobicContact CG-CD2 4.43Å; Q67-F70 WeakPolarHBondContact O-CB 3.35Å; Q67-F70 PolarHBondContact O-N 3.35Å; Q67-F70 VanDerWaalsContact OE1-CE2 3.3Å; Q67-C71 PolarHBondContact O-N 2.91Å | ||
| 68 | P | 90.2 | Very high | 92.7 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -51.9 | -38.2 | -173.8 | -29.3 | 35.5 | 0 | 0 | 0 | 114.2 | F70 C71 L72 | P68-F70 VanDerWaalsContact C-N 3.29Å; P68-F70 PolarHBondContact O-N 3.44Å; P68-C71 PolarHBondContact O-N 2.93Å; P68-L72 VanDerWaalsContact O-CG 3.27Å; P68-L72 WeakPolarHBondContact O-CG 3.32Å; P68-L72 PolarHBondContact O-N 3.15Å |
| 69 | Q | 93.8 | Very high | 92.8 | Very high | 98 Ų | 98 | 60 Ų | 60 | 46% | 0.458 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60 | -35.1 | 177.1 | 60.7 | -87.2 | 23.3 | 0 | 0 | 113.7 | Q67 S73 | Q67-Q69 VanDerWaalsContact CB-CD 3.45Å; Q67-Q69 HydrophobicContact CB-CG 4.36Å; Q67-Q69 VanDerWaalsContact CB-NE2 3.34Å; Q67-Q69 VanDerWaalsContact CD-NE2 3.33Å; Q67-Q69 PolarHBondContact O-N 3.03Å; Q69-S73 WeakPolarHBondContact O-CB 3.43Å; Q69-S73 PolarHBondContact O-N 3.29Å; Q69-S73 VanDerWaalsContact O-N 3.07Å; Q69-S73 PolarHBondContact O-OG 3.44Å |
| 70 | F | 93.7 | Very high | 93 | Very high | 111 Ų | 111 | 60.3 Ų | 60.3 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -74.6 | -42.8 | 176.5 | -70.7 | -65.8 | 0 | 0 | 0 | 110.6 | Q67 P68 L72 S73 L74 | Q67-F70 HydrophobicContact CB-CD2 3.96Å; Q67-F70 HydrophobicContact CG-CD2 4.43Å; Q67-F70 WeakPolarHBondContact O-CB 3.35Å; Q67-F70 PolarHBondContact O-N 3.35Å; Q67-F70 VanDerWaalsContact OE1-CE2 3.3Å; P68-F70 VanDerWaalsContact C-N 3.29Å; P68-F70 PolarHBondContact O-N 3.44Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-L72 PolarHBondContact O-N 3.45Å; F70-S73 PolarHBondContact O-N 3.38Å; F70-L74 WeakPolarHBondContact O-CB 3.42Å; F70-L74 VanDerWaalsContact O-CG 3.31Å; F70-L74 WeakPolarHBondContact O-CG 3.47Å; F70-L74 PolarHBondContact O-N 3.49Å |
| 71 | C | 94.2 | Very high | 93.2 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 174.4 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | L66 Q67 P68 S73 L74 T75 | L66-C71 VanDerWaalsContact CB-SG 3.56Å; Q67-C71 PolarHBondContact O-N 2.91Å; P68-C71 PolarHBondContact O-N 2.93Å; C71-S73 VanDerWaalsContact C-N 3.35Å; C71-S73 PolarHBondContact O-N 3.31Å; C71-L74 PolarHBondContact O-N 3.02Å; C71-T75 PolarHBondContact O-N 3.32Å; C71-T75 PolarHBondContact O-OG1 3.36Å; C71-T75 VanDerWaalsContact O-OG1 3.06Å |
| 72 | L | 96 | Very high | 93.5 | Very high | 37 Ų | 37 | 61.3 Ų | 61.3 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 178.2 | -66.6 | 171.9 | 0 | 0 | 0 | 112.6 | P68 F70 L74 T75 Y76 A206 T209 Y210 | P68-L72 VanDerWaalsContact O-CG 3.27Å; P68-L72 WeakPolarHBondContact O-CG 3.32Å; P68-L72 PolarHBondContact O-N 3.15Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-L72 PolarHBondContact O-N 3.45Å; L72-L74 VanDerWaalsContact C-N 3.33Å; L72-T75 PolarHBondContact O-N 3.49Å; L72-Y76 WeakPolarHBondContact O-CB 3.47Å; L72-Y76 PolarHBondContact O-N 3.23Å; L72-A206 WeakPolarHBondContact CD2-O 3.31Å; L72-T209 HydrophobicContact CD2-CG2 4.24Å; L72-Y210 HydrophobicContact CD1-CD2 3.74Å; L72-Y210 HydrophobicContact CD1-CG 4.17Å |
| 73 | S | 97 | Very high | 93.8 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | Q69 F70 C71 L77 | Q69-S73 WeakPolarHBondContact O-CB 3.43Å; Q69-S73 PolarHBondContact O-N 3.29Å; Q69-S73 VanDerWaalsContact O-N 3.07Å; Q69-S73 PolarHBondContact O-OG 3.44Å; F70-S73 PolarHBondContact O-N 3.38Å; C71-S73 VanDerWaalsContact C-N 3.35Å; C71-S73 PolarHBondContact O-N 3.31Å; S73-L77 WeakPolarHBondContact O-CB 2.99Å; S73-L77 PolarHBondContact O-N 3.45Å |
| 74 | L | 97.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 175.3 | -68.3 | 176.6 | 0 | 0 | 0 | 112.2 | L8 L57 L60 L66 F70 C71 L72 L77 A78 | L8-L74 HydrophobicContact CD2-CD1 4.16Å; L8-L74 HydrophobicContact CD2-CD2 3.59Å; L57-L74 HydrophobicContact CD2-CB 3.6Å; L57-L74 HydrophobicContact CD2-CD1 4.16Å; L57-L74 HydrophobicContact CD2-CG 4.43Å; L60-L74 HydrophobicContact CD1-CD1 4.32Å; L66-L74 HydrophobicContact CD1-CD1 3.87Å; F70-L74 WeakPolarHBondContact O-CB 3.42Å; F70-L74 VanDerWaalsContact O-CG 3.31Å; F70-L74 WeakPolarHBondContact O-CG 3.47Å; F70-L74 PolarHBondContact O-N 3.49Å; C71-L74 PolarHBondContact O-N 3.02Å; L72-L74 VanDerWaalsContact C-N 3.33Å; L74-L77 PolarHBondContact O-N 3.22Å; L74-A78 VanDerWaalsContact O-CB 3.31Å; L74-A78 WeakPolarHBondContact O-CB 3.34Å; L74-A78 PolarHBondContact O-N 3.36Å |
| 75 | T | 97.4 | Very high | 95 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 171.9 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | C71 L72 L77 A78 S79 T205 | C71-T75 PolarHBondContact O-N 3.32Å; C71-T75 PolarHBondContact O-OG1 3.36Å; C71-T75 VanDerWaalsContact O-OG1 3.06Å; L72-T75 PolarHBondContact O-N 3.49Å; T75-L77 PolarHBondContact O-N 3.47Å; T75-A78 PolarHBondContact O-N 3.39Å; T75-S79 WeakPolarHBondContact O-CB 3.29Å; T75-S79 PolarHBondContact O-N 2.84Å; T75-S79 PolarHBondContact O-OG 2.97Å; T75-S79 VanDerWaalsContact O-OG 3.07Å; T75-T205 HydrophobicContact CG2-CG2 4.28Å |
| 76 | Y | 98.4 | Very high | 95.4 | Very high | 82 Ų | 82 | 52 Ų | 52 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.1 | -50.9 | 175.1 | 171.7 | -96.6 | 0 | 0 | 0 | 111.6 | L72 A78 S79 V80 H199 A202 A203 | L72-Y76 WeakPolarHBondContact O-CB 3.47Å; L72-Y76 PolarHBondContact O-N 3.23Å; Y76-A78 PolarHBondContact O-N 3.25Å; Y76-S79 PolarHBondContact O-N 3.49Å; Y76-V80 HydrophobicContact CD1-CG2 4.39Å; Y76-V80 HydrophobicContact CE1-CG2 3.96Å; Y76-V80 HydrophobicContact CE2-CG2 4.2Å; Y76-V80 WeakPolarHBondContact O-CG2 3.32Å; Y76-V80 PolarHBondContact O-N 2.91Å; Y76-H199 AromaticContact CZ-ND1 3.69Å; Y76-H199 PolarHBondContact OH-ND1 3.12Å; Y76-A202 HydrophobicContact CD2-CB 3.7Å; Y76-A202 HydrophobicContact CE2-CB 3.75Å; Y76-A202 HydrophobicContact CG-CB 4.49Å; Y76-A203 HydrophobicContact CD2-CB 4.45Å; Y76-A203 HydrophobicContact CE2-CB 4.17Å |
| 77 | L | 98.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 55.4 Ų | 55.4 | 52% | 0.518 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | -179.3 | 179.7 | 59.9 | 0 | 0 | 0 | 111.7 | S73 L74 T75 V80 V81 | S73-L77 WeakPolarHBondContact O-CB 2.99Å; S73-L77 PolarHBondContact O-N 3.45Å; L74-L77 PolarHBondContact O-N 3.22Å; T75-L77 PolarHBondContact O-N 3.47Å; L77-V80 PolarHBondContact O-N 3Å; L77-V81 HydrophobicContact CD1-CG2 4.48Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.42Å |
| 78 | A | 98 | Very high | 95.2 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L57 L74 T75 Y76 V80 V81 H82 | L57-A78 HydrophobicContact CD1-CB 3.68Å; L74-A78 VanDerWaalsContact O-CB 3.31Å; L74-A78 WeakPolarHBondContact O-CB 3.34Å; L74-A78 PolarHBondContact O-N 3.36Å; T75-A78 PolarHBondContact O-N 3.39Å; Y76-A78 PolarHBondContact O-N 3.25Å; A78-V80 VanDerWaalsContact C-N 3.32Å; A78-V80 PolarHBondContact O-N 3.35Å; A78-V81 WeakPolarHBondContact O-CB 3.23Å; A78-V81 PolarHBondContact O-N 3.46Å; A78-V81 VanDerWaalsContact O-N 3.16Å; A78-H82 PolarHBondContact O-CD2 2.96Å; A78-H82 PolarHBondContact O-N 2.97Å |
| 79 | S | 97.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 174.8 | -66 | 0 | 0 | 0 | 0 | 112.6 | T75 Y76 H82 G83 T205 | T75-S79 WeakPolarHBondContact O-CB 3.29Å; T75-S79 PolarHBondContact O-N 2.84Å; T75-S79 PolarHBondContact O-OG 2.97Å; T75-S79 VanDerWaalsContact O-OG 3.07Å; Y76-S79 PolarHBondContact O-N 3.49Å; S79-H82 PolarHBondContact O-N 3.36Å; S79-G83 PolarHBondContact O-N 3.49Å; S79-T205 WeakPolarHBondContact OG-CG2 3.49Å |
| 80 | V | 98.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 173 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | Y76 L77 A78 H82 G83 L84 V198 H199 A202 | Y76-V80 HydrophobicContact CD1-CG2 4.39Å; Y76-V80 HydrophobicContact CE1-CG2 3.96Å; Y76-V80 HydrophobicContact CE2-CG2 4.2Å; Y76-V80 WeakPolarHBondContact O-CG2 3.32Å; Y76-V80 PolarHBondContact O-N 2.91Å; L77-V80 PolarHBondContact O-N 3Å; A78-V80 VanDerWaalsContact C-N 3.32Å; A78-V80 PolarHBondContact O-N 3.35Å; V80-H82 VanDerWaalsContact C-N 3.32Å; V80-H82 PolarHBondContact O-N 3.01Å; V80-G83 PolarHBondContact O-N 3.19Å; V80-L84 HydrophobicContact CG1-CD1 3.84Å; V80-L84 HydrophobicContact CG1-CG 4.33Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 2.98Å; V80-V198 HydrophobicContact CB-CG1 4.22Å; V80-V198 HydrophobicContact CG1-CG1 4.02Å; V80-V198 HydrophobicContact CG2-CG1 4.39Å; V80-V198 WeakPolarHBondContact O-CG1 3.35Å; V80-H199 WeakPolarHBondContact CG2-ND1 3.41Å; V80-A202 HydrophobicContact CG2-CB 3.51Å |
| 81 | V | 98 | Very high | 95.8 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 178.8 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | V15 L77 A78 L84 T85 | V15-V81 HydrophobicContact CB-CG1 4.42Å; V15-V81 HydrophobicContact CG1-CG1 3.56Å; V15-V81 HydrophobicContact CG2-CG1 3.95Å; L77-V81 HydrophobicContact CD1-CG2 4.48Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.42Å; A78-V81 WeakPolarHBondContact O-CB 3.23Å; A78-V81 PolarHBondContact O-N 3.46Å; A78-V81 VanDerWaalsContact O-N 3.16Å; V81-L84 PolarHBondContact O-N 3.3Å; V81-T85 HydrophobicContact CG1-CG2 4.3Å; V81-T85 VanDerWaalsContact O-CB 3.3Å; V81-T85 WeakPolarHBondContact O-CB 3.32Å; V81-T85 VanDerWaalsContact O-CG2 3.27Å; V81-T85 WeakPolarHBondContact O-CG2 3.45Å; V81-T85 PolarHBondContact O-N 3.42Å; V81-T85 PolarHBondContact O-OG1 3.03Å |
| 82 | H | 97.1 | Very high | 96 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 175.7 | -63.8 | -38.8 | 0 | 0 | 0 | 111.7 | Q49 C53 A78 S79 V80 L84 T85 F86 | Q49-H82 PolarHBondContact NE2-ND1 2.82Å; C53-H82 VanDerWaalsContact SG-CE1 3.6Å; A78-H82 PolarHBondContact O-CD2 2.96Å; A78-H82 PolarHBondContact O-N 2.97Å; S79-H82 PolarHBondContact O-N 3.36Å; V80-H82 VanDerWaalsContact C-N 3.32Å; V80-H82 PolarHBondContact O-N 3.01Å; H82-L84 VanDerWaalsContact C-N 3.25Å; H82-L84 PolarHBondContact O-N 3.31Å; H82-T85 PolarHBondContact O-N 3.23Å; H82-F86 HydrophobicContact CB-CD1 4.19Å; H82-F86 HydrophobicContact CB-CE1 3.65Å; H82-F86 HydrophobicContact CB-CE2 4.2Å; H82-F86 HydrophobicContact CB-CZ 3.61Å; H82-F86 AromaticContact CG-CE1 3.82Å; H82-F86 AromaticContact CG-CZ 3.75Å; H82-F86 AromaticContact ND1-CE1 3.48Å; H82-F86 WeakPolarHBondContact ND1-CE1 3.39Å; H82-F86 AromaticContact ND1-CZ 3.71Å; H82-F86 WeakPolarHBondContact O-CB 3.5Å; H82-F86 WeakPolarHBondContact O-CD1 3.35Å; H82-F86 VanDerWaalsContact O-CG 3.22Å; H82-F86 WeakPolarHBondContact O-CG 3.49Å; H82-F86 PolarHBondContact O-N 2.74Å |
| 83 | G | 94.7 | Very high | 96.1 | Very high | 35 Ų | 35 | 39.3 Ų | 39.3 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.7 | -31.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S79 V80 | S79-G83 PolarHBondContact O-N 3.49Å; V80-G83 PolarHBondContact O-N 3.19Å |
| 84 | L | 95.5 | Very high | 96.1 | Very high | 102 Ų | 102 | 36.1 Ų | 36.1 | 53% | 0.534 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -83.8 | -27.8 | 176.8 | -65.3 | 176.6 | 0 | 0 | 0 | 113.5 | V80 V81 H82 V198 | V80-L84 HydrophobicContact CG1-CD1 3.84Å; V80-L84 HydrophobicContact CG1-CG 4.33Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 2.98Å; V81-L84 PolarHBondContact O-N 3.3Å; H82-L84 VanDerWaalsContact C-N 3.25Å; H82-L84 PolarHBondContact O-N 3.31Å; L84-V198 HydrophobicContact CD2-CG1 4.36Å; L84-V198 HydrophobicContact CD2-CG2 4.19Å; L84-V198 HydrophobicContact CG-CG1 4.2Å |
| 85 | T | 95.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 13% | 0.129 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -106.1 | -8.7 | -169 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | V15 R22 Q49 V81 H82 H87 | V15-T85 HydrophobicContact CG1-CG2 4.48Å; R22-T85 PolarHBondContact NE-O 2.99Å; R22-T85 PolarHBondContact NH2-O 2.73Å; Q49-T85 PolarHBondContact NE2-OG1 3.38Å; V81-T85 HydrophobicContact CG1-CG2 4.3Å; V81-T85 VanDerWaalsContact O-CB 3.3Å; V81-T85 WeakPolarHBondContact O-CB 3.32Å; V81-T85 VanDerWaalsContact O-CG2 3.27Å; V81-T85 WeakPolarHBondContact O-CG2 3.45Å; V81-T85 PolarHBondContact O-N 3.42Å; V81-T85 PolarHBondContact O-OG1 3.03Å; H82-T85 PolarHBondContact O-N 3.23Å; T85-H87 VanDerWaalsContact C-N 3.28Å; T85-H87 PolarHBondContact O-N 3Å; T85-H87 PolarHBondContact O-ND1 2.76Å |
| 86 | F | 93.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 10% | 0.101 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -74.7 | -10.7 | -172.7 | -84.3 | 18.9 | 0 | 0 | 0 | 115.7 | S46 L50 H82 G88 A89 | S46-F86 VanDerWaalsContact O-CE1 3.3Å; S46-F86 WeakPolarHBondContact O-CE1 3.33Å; S46-F86 VanDerWaalsContact O-CZ 3.23Å; S46-F86 WeakPolarHBondContact O-CZ 3.48Å; S46-F86 WeakPolarHBondContact OG-CA 3.22Å; S46-F86 PolarHBondContact OG-O 2.98Å; L50-F86 HydrophobicContact CB-CE2 4.44Å; L50-F86 HydrophobicContact CB-CZ 3.79Å; L50-F86 HydrophobicContact CD1-CZ 4.14Å; L50-F86 HydrophobicContact CG-CZ 4.38Å; H82-F86 HydrophobicContact CB-CD1 4.19Å; H82-F86 HydrophobicContact CB-CE1 3.65Å; H82-F86 HydrophobicContact CB-CE2 4.2Å; H82-F86 HydrophobicContact CB-CZ 3.61Å; H82-F86 AromaticContact CG-CE1 3.82Å; H82-F86 AromaticContact CG-CZ 3.75Å; H82-F86 AromaticContact ND1-CE1 3.48Å; H82-F86 WeakPolarHBondContact ND1-CE1 3.39Å; H82-F86 AromaticContact ND1-CZ 3.71Å; H82-F86 WeakPolarHBondContact O-CB 3.5Å; H82-F86 WeakPolarHBondContact O-CD1 3.35Å; H82-F86 VanDerWaalsContact O-CG 3.22Å; H82-F86 WeakPolarHBondContact O-CG 3.49Å; H82-F86 PolarHBondContact O-N 2.74Å; F86-G88 PolarHBondContact O-N 2.74Å; F86-G88 VanDerWaalsContact O-N 3.08Å; F86-A89 HydrophobicContact CB-CB 4.24Å; F86-A89 VanDerWaalsContact O-CB 3.26Å; F86-A89 WeakPolarHBondContact O-CB 3.46Å; F86-A89 PolarHBondContact O-N 2.93Å |
| 87 | H | 87.6 | Confident | 96.1 | Very high | 107 Ų | 107 | 33.4 Ų | 33.4 | 50% | 0.495 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 37 | 174.5 | -67.5 | 81.7 | 0 | 0 | 0 | 114.1 | E19 V42 T85 | E19-H87 VanDerWaalsContact CD-CE1 3.5Å; E19-H87 IonicContact OE1-CE1 3.19Å; E19-H87 PolarHBondContact OE1-CE1 3.35Å; E19-H87 IonicContact OE1-NE2 3.48Å; E19-H87 IonicContact OE2-CE1 3.31Å; E19-H87 PolarHBondContact OE2-CE1 3.42Å; E19-H87 IonicContact OE2-ND1 2.91Å; V42-H87 HydrophobicContact CG1-CB 4.07Å; T85-H87 VanDerWaalsContact C-N 3.28Å; T85-H87 PolarHBondContact O-N 3Å; T85-H87 PolarHBondContact O-ND1 2.76Å |
| 88 | G | 87.9 | Confident | 96 | Very high | 59 Ų | 59 | 29 Ų | 29 | 61% | 0.608 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 5.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F86 R113 | F86-G88 PolarHBondContact O-N 2.74Å; F86-G88 VanDerWaalsContact O-N 3.08Å; G88-R113 PolarHBondContact O-NH1 2.74Å |
| 89 | A | 95.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | trans | -65.2 | 146.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V42 E43 F86 | V42-A89 HydrophobicContact CG1-CB 4.23Å; E43-A89 WeakPolarHBondContact OE2-CA 3.29Å; F86-A89 HydrophobicContact CB-CB 4.24Å; F86-A89 VanDerWaalsContact O-CB 3.26Å; F86-A89 WeakPolarHBondContact O-CB 3.46Å; F86-A89 PolarHBondContact O-N 2.93Å | ||
| 90 | L | 96.8 | Very high | 95.8 | Very high | 32 Ų | 32 | 32 Ų | 32 | 17% | 0.168 | 19% | 0.19 | C | C | . | . | trans | -88.6 | -37.5 | 178.4 | -63.7 | 177.3 | 0 | 0 | 0 | 111.8 | E43 N92 T96 Y99 L105 | E43-L90 PolarHBondContact OE1-N 2.99Å; E43-L90 PolarHBondContact OE2-N 3.2Å; L90-N92 PolarHBondContact O-N 3.33Å; L90-T96 HydrophobicContact CD1-CG2 4.37Å; L90-Y99 HydrophobicContact CD1-CD2 4.37Å; L90-Y99 HydrophobicContact CD1-CG 4.18Å; L90-Y99 HydrophobicContact CD2-CD1 4.47Å; L90-Y99 HydrophobicContact CD2-CD2 4.12Å; L90-Y99 HydrophobicContact CD2-CE1 4.25Å; L90-Y99 HydrophobicContact CD2-CE2 3.87Å; L90-Y99 HydrophobicContact CD2-CG 4.41Å; L90-L105 HydrophobicContact CD1-CD1 3.9Å | ||
| 91 | G | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | 63.9 | 5.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E43 T47 N221 | E43-G91 PolarHBondContact OE1-N 3.46Å; T47-G91 WeakPolarHBondContact OG1-CA 3.41Å; G91-N221 PolarHBondContact O-ND2 2.93Å | ||
| 92 | N | 98.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | trans | -145.1 | 123.4 | -174.5 | -171.8 | -18.9 | 0 | 0 | 0 | 110.7 | L90 C94 S95 T96 F220 N221 P222 | L90-N92 PolarHBondContact O-N 3.33Å; N92-C94 VanDerWaalsContact C-N 3.28Å; N92-C94 PolarHBondContact O-N 3.35Å; N92-C94 WeakPolarHBondContact OD1-CB 3.28Å; N92-C94 PolarHBondContact OD1-N 3.32Å; N92-S95 PolarHBondContact O-N 3.32Å; N92-T96 PolarHBondContact O-N 2.89Å; N92-T96 PolarHBondContact O-OG1 2.78Å; N92-F220 PolarHBondContact ND2-O 3.24Å; N92-N221 VanDerWaalsContact CG-CG 3.47Å; N92-P222 WeakPolarHBondContact OD1-CD 3.2Å | ||
| 93 | P | 98.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57 | -36.3 | 174 | -30.3 | 38.2 | 0 | 0 | 0 | 113.9 | T96 L97 M114 Q117 F118 N221 P222 A223 | P93-T96 WeakPolarHBondContact O-CB 3.31Å; P93-T96 PolarHBondContact O-N 3.48Å; P93-L97 WeakPolarHBondContact O-CG 3.48Å; P93-L97 PolarHBondContact O-N 2.98Å; P93-M114 HydrophobicContact CB-CG 4.14Å; P93-M114 HydrophobicContact CB-SD 4.13Å; P93-Q117 VanDerWaalsContact CD-OE1 3.28Å; P93-Q117 VanDerWaalsContact N-OE1 3.1Å; P93-F118 HydrophobicContact CB-CE2 4.5Å; P93-F118 HydrophobicContact CB-CZ 4.47Å; P93-F118 HydrophobicContact CG-CE1 4.46Å; P93-F118 HydrophobicContact CG-CE2 3.97Å; P93-F118 HydrophobicContact CG-CZ 3.85Å; P93-N221 WeakPolarHBondContact CD-OD1 3.44Å; P93-P222 HydrophobicContact CB-CB 4.17Å; P93-P222 HydrophobicContact CB-CG 4.21Å; P93-P222 HydrophobicContact CG-CB 4.02Å; P93-P222 HydrophobicContact CG-CG 4.48Å; P93-A223 HydrophobicContact CG-CB 3.83Å |
| 94 | C | 98.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 175.8 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | N92 T96 L97 E98 P222 M252 | N92-C94 VanDerWaalsContact C-N 3.28Å; N92-C94 PolarHBondContact O-N 3.35Å; N92-C94 WeakPolarHBondContact OD1-CB 3.28Å; N92-C94 PolarHBondContact OD1-N 3.32Å; C94-T96 VanDerWaalsContact C-N 3.28Å; C94-T96 PolarHBondContact O-N 2.89Å; C94-L97 PolarHBondContact O-N 3.05Å; C94-E98 PolarHBondContact O-N 2.98Å; C94-P222 VanDerWaalsContact SG-CD 3.51Å; C94-M252 HydrophobicContact CB-CB 4.16Å; C94-M252 HydrophobicContact CB-CG 4.13Å; C94-M252 WeakPolarHBondContact O-CE 3.31Å |
| 95 | S | 96.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 43 Ų | 43 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -33.7 | 176.8 | -54 | 0 | 0 | 0 | 0 | 112.1 | N92 E98 Y99 | N92-S95 PolarHBondContact O-N 3.32Å; S95-E98 PolarHBondContact O-N 3.02Å; S95-Y99 VanDerWaalsContact O-CD2 3.25Å; S95-Y99 WeakPolarHBondContact O-CD2 3.5Å; S95-Y99 PolarHBondContact O-N 3.4Å |
| 96 | T | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67 | -41.2 | 177.6 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | L90 N92 P93 C94 Y99 T100 L105 G110 R113 M114 Q117 | L90-T96 HydrophobicContact CD1-CG2 4.37Å; N92-T96 PolarHBondContact O-N 2.89Å; N92-T96 PolarHBondContact O-OG1 2.78Å; P93-T96 WeakPolarHBondContact O-CB 3.31Å; P93-T96 PolarHBondContact O-N 3.48Å; C94-T96 VanDerWaalsContact C-N 3.28Å; C94-T96 PolarHBondContact O-N 2.89Å; T96-Y99 PolarHBondContact O-N 2.9Å; T96-T100 WeakPolarHBondContact O-CB 3.49Å; T96-T100 PolarHBondContact O-N 3.49Å; T96-T100 PolarHBondContact O-OG1 3.03Å; T96-L105 HydrophobicContact CG2-CD1 4.4Å; T96-G110 VanDerWaalsContact CG2-O 3.29Å; T96-G110 WeakPolarHBondContact CG2-O 3.09Å; T96-R113 HydrophobicContact CG2-CB 3.99Å; T96-M114 HydrophobicContact CG2-CG 3.87Å; T96-Q117 PolarHBondContact OG1-NE2 3.24Å |
| 97 | L | 97.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 174.4 | -73.5 | 168 | 0 | 0 | 0 | 111.7 | P93 C94 T100 Y101 M114 L249 M252 | P93-L97 WeakPolarHBondContact O-CG 3.48Å; P93-L97 PolarHBondContact O-N 2.98Å; C94-L97 PolarHBondContact O-N 3.05Å; L97-T100 PolarHBondContact O-N 3.25Å; L97-Y101 WeakPolarHBondContact O-CB 3.46Å; L97-Y101 PolarHBondContact O-N 3.06Å; L97-M114 HydrophobicContact CD1-SD 4.33Å; L97-M114 HydrophobicContact CD2-CE 4.08Å; L97-M114 HydrophobicContact CD2-SD 4.18Å; L97-M114 HydrophobicContact CG-SD 3.97Å; L97-L249 HydrophobicContact CD1-CD2 3.28Å; L97-M252 HydrophobicContact CB-CE 4.17Å |
| 98 | E | 96.6 | Very high | 95.7 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 173.2 | -170.2 | -92.8 | 167.5 | 0 | 0 | 111.7 | C94 S95 T100 Y101 R102 M252 V256 | C94-E98 PolarHBondContact O-N 2.98Å; S95-E98 PolarHBondContact O-N 3.02Å; E98-T100 PolarHBondContact O-N 3.41Å; E98-Y101 WeakPolarHBondContact O-CB 3.42Å; E98-Y101 PolarHBondContact O-N 3.22Å; E98-Y101 VanDerWaalsContact O-N 3.14Å; E98-R102 HydrophobicContact CG-CG 4.41Å; E98-R102 WeakPolarHBondContact O-CB 3.25Å; E98-R102 VanDerWaalsContact O-CG 3.27Å; E98-R102 WeakPolarHBondContact O-CG 3.48Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 WeakPolarHBondContact OE1-CG 3.27Å; E98-R102 IonicContact OE1-NE 2.63Å; E98-R102 PolarHBondContact OE1-NE 2.83Å; E98-M252 HydrophobicContact CB-CE 4.45Å; E98-M252 HydrophobicContact CB-CG 4.47Å; E98-M252 HydrophobicContact CB-SD 3.69Å; E98-M252 HydrophobicContact CG-SD 4.11Å; E98-V256 HydrophobicContact CG-CG2 3.56Å |
| 99 | Y | 96.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 28% | 0.275 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 178.6 | -91.4 | -117.5 | 0 | 0 | 0 | 112.1 | L90 S95 T96 G103 R104 L105 | L90-Y99 HydrophobicContact CD1-CD2 4.37Å; L90-Y99 HydrophobicContact CD1-CG 4.18Å; L90-Y99 HydrophobicContact CD2-CD1 4.47Å; L90-Y99 HydrophobicContact CD2-CD2 4.12Å; L90-Y99 HydrophobicContact CD2-CE1 4.25Å; L90-Y99 HydrophobicContact CD2-CE2 3.87Å; L90-Y99 HydrophobicContact CD2-CG 4.41Å; S95-Y99 VanDerWaalsContact O-CD2 3.25Å; S95-Y99 WeakPolarHBondContact O-CD2 3.5Å; S95-Y99 PolarHBondContact O-N 3.4Å; T96-Y99 PolarHBondContact O-N 2.9Å; Y99-G103 PolarHBondContact O-N 2.97Å; Y99-R104 HydrophobicContact CD1-CB 3.68Å; Y99-R104 HydrophobicContact CD1-CG 4.42Å; Y99-R104 HydrophobicContact CE1-CB 4.41Å; Y99-R104 HydrophobicContact CG-CB 4.23Å; Y99-R104 WeakPolarHBondContact O-CA 3.49Å; Y99-R104 WeakPolarHBondContact O-CB 3.36Å; Y99-R104 PolarHBondContact O-N 3.27Å; Y99-L105 HydrophobicContact CD1-CD1 4.49Å; Y99-L105 HydrophobicContact CD1-CG 4.34Å; Y99-L105 HydrophobicContact CG-CD1 4.46Å; Y99-L105 PolarHBondContact O-N 3.25Å; Y99-L105 VanDerWaalsContact O-N 3.15Å |
| 100 | T | 96.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69 | -44.9 | 176 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | T96 L97 E98 R102 G103 A107 | T96-T100 WeakPolarHBondContact O-CB 3.49Å; T96-T100 PolarHBondContact O-N 3.49Å; T96-T100 PolarHBondContact O-OG1 3.03Å; L97-T100 PolarHBondContact O-N 3.25Å; E98-T100 PolarHBondContact O-N 3.41Å; T100-R102 VanDerWaalsContact C-N 3.32Å; T100-R102 PolarHBondContact O-N 3.45Å; T100-G103 PolarHBondContact O-N 2.89Å; T100-A107 HydrophobicContact CG2-CB 4.34Å |
| 101 | Y | 94.9 | Very high | 96.2 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.4 | 174.6 | -101.1 | 0 | 0 | 0 | 112.2 | L97 E98 G103 M253 V256 | L97-Y101 WeakPolarHBondContact O-CB 3.46Å; L97-Y101 PolarHBondContact O-N 3.06Å; E98-Y101 WeakPolarHBondContact O-CB 3.42Å; E98-Y101 PolarHBondContact O-N 3.22Å; E98-Y101 VanDerWaalsContact O-N 3.14Å; Y101-G103 PolarHBondContact O-N 3.14Å; Y101-M253 HydrophobicContact CD2-CE 4.42Å; Y101-M253 HydrophobicContact CE2-CE 4.49Å; Y101-V256 HydrophobicContact CD1-CG1 3.7Å; Y101-V256 HydrophobicContact CE1-CG1 3.49Å; Y101-V256 VanDerWaalsContact CE1-CG1 3.49Å |
| 102 | R | 93.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -2.6 | 175.6 | -64.7 | -64.3 | -167.9 | 173.8 | -4.9 | 114.5 | E98 T100 R104 D260 | E98-R102 HydrophobicContact CG-CG 4.41Å; E98-R102 WeakPolarHBondContact O-CB 3.25Å; E98-R102 VanDerWaalsContact O-CG 3.27Å; E98-R102 WeakPolarHBondContact O-CG 3.48Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 WeakPolarHBondContact OE1-CG 3.27Å; E98-R102 IonicContact OE1-NE 2.63Å; E98-R102 PolarHBondContact OE1-NE 2.83Å; T100-R102 VanDerWaalsContact C-N 3.32Å; T100-R102 PolarHBondContact O-N 3.45Å; R102-R104 HydrophobicContact CB-CG 4.04Å; R102-R104 PolarHBondContact O-N 3.4Å; R102-D260 IonicContact CZ-OD1 3.59Å; R102-D260 IonicContact CZ-OD2 2.79Å; R102-D260 IonicContact NH1-OD1 3.88Å; R102-D260 PolarHBondContact NH1-OD1 3.26Å; R102-D260 IonicContact NH1-OD2 3.64Å; R102-D260 PolarHBondContact NH1-OD2 2.91Å; R102-D260 IonicContact NH2-OD1 3.36Å; R102-D260 PolarHBondContact NH2-OD1 3.07Å; R102-D260 IonicContact NH2-OD2 3.13Å; R102-D260 PolarHBondContact NH2-OD2 3.39Å |
| 103 | G | 93.4 | Very high | 96.2 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 67% | 0.67 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 13.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y99 T100 Y101 | Y99-G103 PolarHBondContact O-N 2.97Å; T100-G103 PolarHBondContact O-N 2.89Å; Y101-G103 PolarHBondContact O-N 3.14Å |
| 104 | R | 93.3 | Very high | 96.2 | Very high | 139 Ų | 139 | 58.1 Ų | 58.1 | 53% | 0.525 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -77.5 | -22.9 | 175.3 | -64 | 178.8 | 176.7 | 166.6 | -0.7 | 112.5 | Y99 R102 | Y99-R104 HydrophobicContact CD1-CB 3.68Å; Y99-R104 HydrophobicContact CD1-CG 4.42Å; Y99-R104 HydrophobicContact CE1-CB 4.41Å; Y99-R104 HydrophobicContact CG-CB 4.23Å; Y99-R104 WeakPolarHBondContact O-CA 3.49Å; Y99-R104 WeakPolarHBondContact O-CB 3.36Å; Y99-R104 PolarHBondContact O-N 3.27Å; R102-R104 HydrophobicContact CB-CG 4.04Å; R102-R104 PolarHBondContact O-N 3.4Å |
| 105 | L | 93.9 | Very high | 96.2 | Very high | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -128.1 | 145 | 172 | -67 | 176.6 | 0 | 0 | 0 | 109.8 | L90 T96 Y99 | L90-L105 HydrophobicContact CD1-CD1 3.9Å; T96-L105 HydrophobicContact CG2-CD1 4.4Å; Y99-L105 HydrophobicContact CD1-CD1 4.49Å; Y99-L105 HydrophobicContact CD1-CG 4.34Å; Y99-L105 HydrophobicContact CG-CD1 4.46Å; Y99-L105 PolarHBondContact O-N 3.25Å; Y99-L105 VanDerWaalsContact O-N 3.15Å |
| 106 | T | 95.9 | Very high | 96.3 | Very high | 96 Ų | 96 | 61.7 Ų | 61.7 | 59% | 0.589 | 32% | 0.319 | S | S | * | . | trans | -70.2 | 150.4 | 167.6 | 64.4 | 0 | 0 | 0 | 0 | 109.9 | R108 S109 G110 | T106-R108 PolarHBondContact O-N 3.05Å; T106-S109 WeakPolarHBondContact O-CB 3.48Å; T106-S109 PolarHBondContact O-N 3.42Å; T106-S109 WeakPolarHBondContact OG1-CB 3.44Å; T106-S109 PolarHBondContact OG1-N 2.83Å; T106-G110 PolarHBondContact O-N 3.33Å | ||
| 107 | A | 95.8 | Very high | 96.3 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -53.5 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T100 S109 G110 V111 | T100-A107 HydrophobicContact CG2-CB 4.34Å; A107-S109 PolarHBondContact O-N 3.24Å; A107-G110 PolarHBondContact O-N 2.88Å; A107-V111 WeakPolarHBondContact O-CG2 3.14Å; A107-V111 PolarHBondContact O-N 3.07Å |
| 108 | R | 96 | Very high | 96.4 | Very high | 211 Ų | 211 | 61.2 Ų | 61.2 | 80% | 0.796 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 175.1 | -176.7 | -178.9 | 177.4 | -172.3 | 0.6 | 112.4 | T106 L112 | T106-R108 PolarHBondContact O-N 3.05Å; R108-L112 WeakPolarHBondContact O-CB 3.31Å; R108-L112 PolarHBondContact O-N 3.4Å |
| 109 | S | 95 | Very high | 96.5 | Very high | 13 Ų | 13 | 66 Ų | 66 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | Y40 T106 A107 L112 R113 | Y40-S109 PolarHBondContact OH-OG 3.41Å; T106-S109 WeakPolarHBondContact O-CB 3.48Å; T106-S109 PolarHBondContact O-N 3.42Å; T106-S109 WeakPolarHBondContact OG1-CB 3.44Å; T106-S109 PolarHBondContact OG1-N 2.83Å; A107-S109 PolarHBondContact O-N 3.24Å; S109-L112 PolarHBondContact O-N 2.73Å; S109-R113 WeakPolarHBondContact O-CG 3.48Å; S109-R113 PolarHBondContact O-N 3.24Å |
| 110 | G | 97 | Very high | 96.6 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -49.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T96 T106 A107 L112 R113 M114 | T96-G110 VanDerWaalsContact CG2-O 3.29Å; T96-G110 WeakPolarHBondContact CG2-O 3.09Å; T106-G110 PolarHBondContact O-N 3.33Å; A107-G110 PolarHBondContact O-N 2.88Å; G110-L112 PolarHBondContact O-N 2.87Å; G110-R113 PolarHBondContact O-N 3.47Å; G110-M114 WeakPolarHBondContact O-CG 3.47Å; G110-M114 PolarHBondContact O-N 2.87Å |
| 111 | V | 97.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 61.1 Ų | 61.1 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | A107 R113 M114 V115 | A107-V111 WeakPolarHBondContact O-CG2 3.14Å; A107-V111 PolarHBondContact O-N 3.07Å; V111-R113 VanDerWaalsContact C-N 3.34Å; V111-R113 PolarHBondContact O-N 3.31Å; V111-M114 HydrophobicContact CG2-CE 4.28Å; V111-M114 PolarHBondContact O-N 3.41Å; V111-V115 WeakPolarHBondContact O-CG2 3.5Å; V111-V115 PolarHBondContact O-N 3.45Å |
| 112 | L | 97.6 | Very high | 96.8 | Very high | 66 Ų | 66 | 58.3 Ų | 58.3 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | -178.2 | -174.1 | 52 | 0 | 0 | 0 | 112.3 | Y40 R108 S109 G110 V115 C116 | Y40-L112 HydrophobicContact CD1-CB 4.18Å; Y40-L112 HydrophobicContact CD1-CD2 4.04Å; Y40-L112 HydrophobicContact CD1-CG 3.71Å; Y40-L112 HydrophobicContact CD2-CD2 3.61Å; Y40-L112 HydrophobicContact CD2-CG 4.13Å; Y40-L112 HydrophobicContact CE1-CB 3.73Å; Y40-L112 HydrophobicContact CE1-CD2 3.77Å; Y40-L112 HydrophobicContact CE1-CG 3.66Å; Y40-L112 HydrophobicContact CE2-CD2 3.32Å; Y40-L112 HydrophobicContact CE2-CG 4.1Å; Y40-L112 HydrophobicContact CG-CD2 3.98Å; Y40-L112 HydrophobicContact CG-CG 3.96Å; Y40-L112 VanDerWaalsContact CZ-CD2 3.41Å; R108-L112 WeakPolarHBondContact O-CB 3.31Å; R108-L112 PolarHBondContact O-N 3.4Å; S109-L112 PolarHBondContact O-N 2.73Å; G110-L112 PolarHBondContact O-N 2.87Å; L112-V115 PolarHBondContact O-N 2.96Å; L112-C116 PolarHBondContact O-N 3.29Å; L112-C116 PolarHBondContact O-SG 3.19Å |
| 113 | R | 97.6 | Very high | 97 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 171.5 | -76 | -171.4 | -178.7 | -140.5 | 14.4 | 112.3 | Y40 E43 G88 T96 S109 G110 V111 V115 C116 Q117 | Y40-R113 HydrophobicContact CD1-CG 3.94Å; Y40-R113 HydrophobicContact CE1-CG 3.95Å; E43-R113 HydrophobicContact CG-CB 4.06Å; E43-R113 HydrophobicContact CG-CG 4.05Å; E43-R113 IonicContact OE2-CZ 3.14Å; E43-R113 IonicContact OE2-NE 3.65Å; E43-R113 IonicContact OE2-NH1 3.05Å; E43-R113 PolarHBondContact OE2-NH1 3.39Å; G88-R113 PolarHBondContact O-NH1 2.74Å; T96-R113 HydrophobicContact CG2-CB 3.99Å; S109-R113 WeakPolarHBondContact O-CG 3.48Å; S109-R113 PolarHBondContact O-N 3.24Å; G110-R113 PolarHBondContact O-N 3.47Å; V111-R113 VanDerWaalsContact C-N 3.34Å; V111-R113 PolarHBondContact O-N 3.31Å; R113-V115 VanDerWaalsContact C-N 3.32Å; R113-V115 PolarHBondContact O-N 2.89Å; R113-C116 WeakPolarHBondContact O-CB 3.46Å; R113-C116 PolarHBondContact O-N 3.45Å; R113-Q117 VanDerWaalsContact O-CG 3.26Å; R113-Q117 WeakPolarHBondContact O-CG 3.25Å; R113-Q117 PolarHBondContact O-N 3.03Å |
| 114 | M | 98.4 | Very high | 97.3 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 17% | 0.167 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.8 | -70.8 | -173.4 | -68.1 | 0 | 0 | 111.7 | P93 T96 L97 G110 V111 C116 Q117 F118 | P93-M114 HydrophobicContact CB-CG 4.14Å; P93-M114 HydrophobicContact CB-SD 4.13Å; T96-M114 HydrophobicContact CG2-CG 3.87Å; L97-M114 HydrophobicContact CD1-SD 4.33Å; L97-M114 HydrophobicContact CD2-CE 4.08Å; L97-M114 HydrophobicContact CD2-SD 4.18Å; L97-M114 HydrophobicContact CG-SD 3.97Å; G110-M114 WeakPolarHBondContact O-CG 3.47Å; G110-M114 PolarHBondContact O-N 2.87Å; V111-M114 HydrophobicContact CG2-CE 4.28Å; V111-M114 PolarHBondContact O-N 3.41Å; M114-C116 PolarHBondContact O-N 3.38Å; M114-Q117 PolarHBondContact O-N 2.87Å; M114-F118 WeakPolarHBondContact O-CD2 3.41Å; M114-F118 PolarHBondContact O-N 2.86Å |
| 115 | V | 98.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 172.7 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | V111 L112 R113 Q117 F118 M119 | V111-V115 WeakPolarHBondContact O-CG2 3.5Å; V111-V115 PolarHBondContact O-N 3.45Å; L112-V115 PolarHBondContact O-N 2.96Å; R113-V115 VanDerWaalsContact C-N 3.32Å; R113-V115 PolarHBondContact O-N 2.89Å; V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.43Å; V115-F118 PolarHBondContact O-N 2.88Å; V115-M119 HydrophobicContact CG1-CG 4.23Å; V115-M119 VanDerWaalsContact O-CB 3.28Å; V115-M119 WeakPolarHBondContact O-CB 3.37Å; V115-M119 WeakPolarHBondContact O-CG 3.43Å; V115-M119 PolarHBondContact O-N 3.32Å |
| 116 | C | 98.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 174.6 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | E43 L44 L112 R113 M114 M119 A120 | E43-C116 HydrophobicContact CB-CB 4.39Å; E43-C116 HydrophobicContact CG-CB 4.31Å; L44-C116 HydrophobicContact CB-CB 4.22Å; L44-C116 HydrophobicContact CD1-CB 4.37Å; L44-C116 WeakPolarHBondContact CD1-O 3.48Å; L112-C116 PolarHBondContact O-N 3.29Å; L112-C116 PolarHBondContact O-SG 3.19Å; R113-C116 WeakPolarHBondContact O-CB 3.46Å; R113-C116 PolarHBondContact O-N 3.45Å; M114-C116 PolarHBondContact O-N 3.38Å; C116-M119 PolarHBondContact O-N 2.9Å; C116-A120 VanDerWaalsContact O-CB 3.27Å; C116-A120 WeakPolarHBondContact O-CB 2.99Å; C116-A120 PolarHBondContact O-N 3.19Å |
| 117 | Q | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | -179.6 | -71 | 159.2 | 2.7 | 0 | 0 | 112.1 | E43 T47 P93 T96 R113 M114 V115 A120 A121 A223 | E43-Q117 HydrophobicContact CG-CG 4.13Å; E43-Q117 PolarHBondContact OE1-NE2 3.26Å; T47-Q117 HydrophobicContact CG2-CB 4.03Å; T47-Q117 HydrophobicContact CG2-CG 4.21Å; T47-Q117 WeakPolarHBondContact OG1-CG 3.44Å; P93-Q117 VanDerWaalsContact CD-OE1 3.28Å; P93-Q117 VanDerWaalsContact N-OE1 3.1Å; T96-Q117 PolarHBondContact OG1-NE2 3.24Å; R113-Q117 VanDerWaalsContact O-CG 3.26Å; R113-Q117 WeakPolarHBondContact O-CG 3.25Å; R113-Q117 PolarHBondContact O-N 3.03Å; M114-Q117 PolarHBondContact O-N 2.87Å; V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.43Å; Q117-A120 PolarHBondContact O-N 2.9Å; Q117-A121 PolarHBondContact O-N 2.91Å; Q117-A223 HydrophobicContact CB-CB 3.84Å |
| 118 | F | 98.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 48.3 Ų | 48.3 | 23% | 0.228 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.1 | -38.5 | 177.9 | -73.4 | -62.8 | 0 | 0 | 0 | 112.4 | P93 M114 V115 A120 A121 S122 P222 A223 L226 W245 | P93-F118 HydrophobicContact CB-CE2 4.5Å; P93-F118 HydrophobicContact CB-CZ 4.47Å; P93-F118 HydrophobicContact CG-CE1 4.46Å; P93-F118 HydrophobicContact CG-CE2 3.97Å; P93-F118 HydrophobicContact CG-CZ 3.85Å; M114-F118 WeakPolarHBondContact O-CD2 3.41Å; M114-F118 PolarHBondContact O-N 2.86Å; V115-F118 PolarHBondContact O-N 2.88Å; F118-A120 VanDerWaalsContact C-N 3.35Å; F118-A120 PolarHBondContact O-N 3.48Å; F118-A121 WeakPolarHBondContact O-CB 3.42Å; F118-A121 PolarHBondContact O-N 3.47Å; F118-S122 PolarHBondContact O-N 2.89Å; F118-S122 PolarHBondContact O-OG 3.43Å; F118-P222 HydrophobicContact CE1-CB 4.41Å; F118-P222 HydrophobicContact CZ-CB 4.18Å; F118-A223 HydrophobicContact CD1-CB 4.2Å; F118-A223 HydrophobicContact CE1-CB 4.31Å; F118-L226 HydrophobicContact CB-CD2 4.33Å; F118-L226 HydrophobicContact CD1-CB 4.27Å; F118-L226 HydrophobicContact CD1-CD2 3.56Å; F118-L226 HydrophobicContact CE1-CB 4.44Å; F118-L226 HydrophobicContact CE1-CD2 4.32Å; F118-L226 HydrophobicContact CG-CD2 4.37Å; F118-W245 HydrophobicContact CD1-CZ2 4.42Å; F118-W245 AromaticContact CE1-CE2 3.96Å; F118-W245 HydrophobicContact CE1-CH2 4.35Å; F118-W245 AromaticContact CE1-CZ2 3.63Å; F118-W245 HydrophobicContact CE1-CZ2 3.63Å; F118-W245 HydrophobicContact CZ-CH2 4.48Å; F118-W245 HydrophobicContact CZ-CZ2 4.06Å |
| 119 | M | 98.6 | Very high | 97.3 | Very high | 109 Ų | 109 | 40.6 Ų | 40.6 | 54% | 0.537 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 172.5 | -76.3 | -64.1 | -62.6 | 0 | 0 | 111.4 | L44 V115 C116 A121 S122 V123 | L44-M119 HydrophobicContact CD1-CB 4.09Å; V115-M119 HydrophobicContact CG1-CG 4.23Å; V115-M119 VanDerWaalsContact O-CB 3.28Å; V115-M119 WeakPolarHBondContact O-CB 3.37Å; V115-M119 WeakPolarHBondContact O-CG 3.43Å; V115-M119 PolarHBondContact O-N 3.32Å; C116-M119 PolarHBondContact O-N 2.9Å; M119-A121 VanDerWaalsContact C-N 3.32Å; M119-A121 PolarHBondContact O-N 3.37Å; M119-S122 PolarHBondContact O-N 2.8Å; M119-V123 WeakPolarHBondContact O-CB 3.28Å; M119-V123 VanDerWaalsContact O-CG2 3.28Å; M119-V123 WeakPolarHBondContact O-CG2 3.24Å; M119-V123 PolarHBondContact O-N 3.23Å |
| 120 | A | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L44 T47 L48 C116 Q117 F118 V123 A124 | L44-A120 HydrophobicContact CD1-CB 3.98Å; L44-A120 VanDerWaalsContact O-CB 3.31Å; L44-A120 WeakPolarHBondContact O-CB 3.47Å; T47-A120 HydrophobicContact CG2-CB 4.02Å; L48-A120 HydrophobicContact CB-CB 4.14Å; C116-A120 VanDerWaalsContact O-CB 3.27Å; C116-A120 WeakPolarHBondContact O-CB 2.99Å; C116-A120 PolarHBondContact O-N 3.19Å; Q117-A120 PolarHBondContact O-N 2.9Å; F118-A120 VanDerWaalsContact C-N 3.35Å; F118-A120 PolarHBondContact O-N 3.48Å; A120-V123 PolarHBondContact O-N 2.69Å; A120-A124 WeakPolarHBondContact O-CB 3.38Å; A120-A124 PolarHBondContact O-N 3.48Å |
| 121 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q117 F118 M119 R125 A223 L226 S227 | Q117-A121 PolarHBondContact O-N 2.91Å; F118-A121 WeakPolarHBondContact O-CB 3.42Å; F118-A121 PolarHBondContact O-N 3.47Å; M119-A121 VanDerWaalsContact C-N 3.32Å; M119-A121 PolarHBondContact O-N 3.37Å; A121-R125 PolarHBondContact O-N 3.45Å; A121-A223 WeakPolarHBondContact CB-O 3.31Å; A121-L226 HydrophobicContact CB-CB 4.46Å; A121-S227 PolarHBondContact O-OG 2.63Å |
| 122 | S | 97.9 | Very high | 97 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | F118 M119 R125 T126 | F118-S122 PolarHBondContact O-N 2.89Å; F118-S122 PolarHBondContact O-OG 3.43Å; M119-S122 PolarHBondContact O-N 2.8Å; S122-R125 PolarHBondContact O-N 3.1Å; S122-T126 PolarHBondContact O-N 2.92Å; S122-T126 PolarHBondContact O-OG1 2.94Å |
| 123 | V | 98.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 35% | 0.345 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.1 | -40.3 | 178.7 | 172 | 0 | 0 | 0 | 0 | 111.6 | L48 M119 A120 R125 T126 M127 | L48-V123 HydrophobicContact CD1-CB 4.22Å; L48-V123 HydrophobicContact CD1-CG1 3.9Å; M119-V123 WeakPolarHBondContact O-CB 3.28Å; M119-V123 VanDerWaalsContact O-CG2 3.28Å; M119-V123 WeakPolarHBondContact O-CG2 3.24Å; M119-V123 PolarHBondContact O-N 3.23Å; A120-V123 PolarHBondContact O-N 2.69Å; V123-R125 VanDerWaalsContact C-N 3.28Å; V123-R125 PolarHBondContact O-N 3.47Å; V123-T126 PolarHBondContact O-N 2.92Å; V123-T126 PolarHBondContact O-OG1 3.25Å; V123-M127 HydrophobicContact CG1-CG 3.91Å; V123-M127 HydrophobicContact CG1-SD 3.52Å; V123-M127 VanDerWaalsContact CG1-SD 3.52Å; V123-M127 VanDerWaalsContact O-CB 3.3Å; V123-M127 WeakPolarHBondContact O-CB 3.25Å; V123-M127 VanDerWaalsContact O-CG 3.25Å; V123-M127 WeakPolarHBondContact O-CG 3.3Å; V123-M127 PolarHBondContact O-N 2.99Å |
| 124 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.9 | -47.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L48 C51 I52 L55 A120 L128 | L48-A124 HydrophobicContact CD1-CB 3.86Å; C51-A124 HydrophobicContact CB-CB 3.3Å; I52-A124 HydrophobicContact CD1-CB 4.32Å; I52-A124 HydrophobicContact CG1-CB 3.74Å; L55-A124 HydrophobicContact CD1-CB 4.48Å; A120-A124 WeakPolarHBondContact O-CB 3.38Å; A120-A124 PolarHBondContact O-N 3.48Å; A124-L128 VanDerWaalsContact O-CB 3.3Å; A124-L128 WeakPolarHBondContact O-CB 3.28Å; A124-L128 PolarHBondContact O-N 3.23Å |
| 125 | R | 95.3 | Very high | 96.5 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -51.4 | -179.6 | -175.3 | -172 | 176.2 | 88.4 | 15.5 | 111.8 | L55 A121 S122 V123 L128 Q129 S227 S231 | L55-R125 HydrophobicContact CD1-CB 4.45Å; A121-R125 PolarHBondContact O-N 3.45Å; S122-R125 PolarHBondContact O-N 3.1Å; V123-R125 VanDerWaalsContact C-N 3.28Å; V123-R125 PolarHBondContact O-N 3.47Å; R125-L128 PolarHBondContact O-N 3.28Å; R125-Q129 VanDerWaalsContact O-CG 3.31Å; R125-Q129 WeakPolarHBondContact O-CG 3.16Å; R125-Q129 PolarHBondContact O-N 3.42Å; R125-S227 PolarHBondContact NH1-O 2.82Å; R125-S231 PolarHBondContact NE-OG 3.01Å; R125-S231 PolarHBondContact NH1-OG 2.72Å; R125-S231 PolarHBondContact NH2-OG 3.38Å |
| 126 | T | 95.3 | Very high | 96.3 | Very high | 86 Ų | 86 | 44.8 Ų | 44.8 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | -177.8 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | S122 V123 L128 G130 | S122-T126 PolarHBondContact O-N 2.92Å; S122-T126 PolarHBondContact O-OG1 2.94Å; V123-T126 PolarHBondContact O-N 2.92Å; V123-T126 PolarHBondContact O-OG1 3.25Å; T126-L128 PolarHBondContact O-N 3.34Å; T126-G130 PolarHBondContact O-N 2.79Å; T126-G130 VanDerWaalsContact O-N 3.14Å |
| 127 | M | 95.5 | Very high | 96.1 | Very high | 80 Ų | 80 | 44.6 Ų | 44.6 | 39% | 0.394 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 175.8 | -75 | -177.3 | 72.8 | 0 | 0 | 111.8 | F14 L48 I52 V123 G130 L131 | F14-M127 HydrophobicContact CE2-CE 4.28Å; L48-M127 HydrophobicContact CD1-SD 4.22Å; L48-M127 HydrophobicContact CD2-SD 4.39Å; I52-M127 HydrophobicContact CD1-CB 4.43Å; V123-M127 HydrophobicContact CG1-CG 3.91Å; V123-M127 HydrophobicContact CG1-SD 3.52Å; V123-M127 VanDerWaalsContact CG1-SD 3.52Å; V123-M127 VanDerWaalsContact O-CB 3.3Å; V123-M127 WeakPolarHBondContact O-CB 3.25Å; V123-M127 VanDerWaalsContact O-CG 3.25Å; V123-M127 WeakPolarHBondContact O-CG 3.3Å; V123-M127 PolarHBondContact O-N 2.99Å; M127-G130 PolarHBondContact O-N 3.14Å; M127-L131 PolarHBondContact O-N 2.71Å |
| 128 | L | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.2 | -34.6 | -176 | -163.9 | 66.3 | 0 | 0 | 0 | 112.6 | L10 I52 L55 E56 A124 R125 T126 G130 L131 W132 | L10-L128 HydrophobicContact CD2-CD1 4.3Å; I52-L128 HydrophobicContact CG1-CB 4.46Å; I52-L128 HydrophobicContact CG2-CD1 4.14Å; L55-L128 HydrophobicContact CB-CD2 3.23Å; L55-L128 HydrophobicContact CD1-CB 4.32Å; L55-L128 HydrophobicContact CD1-CD2 3.88Å; L55-L128 HydrophobicContact CG-CD2 4.2Å; E56-L128 HydrophobicContact CB-CD2 4.43Å; A124-L128 VanDerWaalsContact O-CB 3.3Å; A124-L128 WeakPolarHBondContact O-CB 3.28Å; A124-L128 PolarHBondContact O-N 3.23Å; R125-L128 PolarHBondContact O-N 3.28Å; T126-L128 PolarHBondContact O-N 3.34Å; L128-G130 VanDerWaalsContact C-N 3.26Å; L128-G130 PolarHBondContact O-N 2.82Å; L128-L131 HydrophobicContact CD1-CB 4.26Å; L128-L131 HydrophobicContact CD1-CD1 3.92Å; L128-L131 PolarHBondContact O-N 2.96Å; L128-L131 VanDerWaalsContact O-N 3.14Å; L128-W132 HydrophobicContact CD2-CH2 3.84Å; L128-W132 HydrophobicContact CD2-CZ2 3.25Å; L128-W132 HydrophobicContact CG-CD2 4.05Å; L128-W132 HydrophobicContact CG-CH2 4.29Å; L128-W132 HydrophobicContact CG-CZ2 3.68Å; L128-W132 WeakPolarHBondContact O-CB 3.44Å; L128-W132 VanDerWaalsContact O-CG 3.24Å; L128-W132 PolarHBondContact O-N 2.8Å |
| 129 | Q | 94 | Very high | 95.6 | Very high | 50 Ų | 50 | 47.4 Ų | 47.4 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -41.2 | 168.6 | -73.7 | 176.6 | -33.6 | 0 | 0 | 111.6 | R125 W132 A133 F148 | R125-Q129 VanDerWaalsContact O-CG 3.31Å; R125-Q129 WeakPolarHBondContact O-CG 3.16Å; R125-Q129 PolarHBondContact O-N 3.42Å; Q129-W132 HydrophobicContact CG-CE3 4.23Å; Q129-W132 HydrophobicContact CG-CZ3 4.33Å; Q129-W132 PolarHBondContact O-N 3.07Å; Q129-A133 WeakPolarHBondContact O-CB 3.28Å; Q129-A133 PolarHBondContact O-N 3.45Å; Q129-F148 HydrophobicContact CB-CD2 4.35Å; Q129-F148 HydrophobicContact CB-CE2 4.3Å; Q129-F148 HydrophobicContact CB-CZ 4.46Å; Q129-F148 HydrophobicContact CG-CB 4.38Å; Q129-F148 HydrophobicContact CG-CD1 4.47Å; Q129-F148 HydrophobicContact CG-CD2 4.16Å; Q129-F148 HydrophobicContact CG-CG 4.08Å; Q129-F148 WeakPolarHBondContact O-CZ 3.3Å |
| 130 | G | 94.7 | Very high | 95.4 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | T126 M127 L128 A133 L134 | T126-G130 PolarHBondContact O-N 2.79Å; T126-G130 VanDerWaalsContact O-N 3.14Å; M127-G130 PolarHBondContact O-N 3.14Å; L128-G130 VanDerWaalsContact C-N 3.26Å; L128-G130 PolarHBondContact O-N 2.82Å; G130-A133 WeakPolarHBondContact O-CB 3.2Å; G130-A133 PolarHBondContact O-N 2.88Å; G130-L134 PolarHBondContact O-N 3.49Å |
| 131 | L | 93.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 23% | 0.225 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.6 | -72.6 | 170.1 | 0 | 0 | 0 | 112.5 | L10 M127 L128 A133 L134 | L10-L131 HydrophobicContact CD1-CD1 4.35Å; M127-L131 PolarHBondContact O-N 2.71Å; L128-L131 HydrophobicContact CD1-CB 4.26Å; L128-L131 HydrophobicContact CD1-CD1 3.92Å; L128-L131 PolarHBondContact O-N 2.96Å; L128-L131 VanDerWaalsContact O-N 3.14Å; L131-A133 VanDerWaalsContact C-N 3.32Å; L131-L134 HydrophobicContact CD2-CD1 4.17Å; L131-L134 WeakPolarHBondContact O-CB 3.41Å; L131-L134 PolarHBondContact O-N 3.42Å |
| 132 | W | 95.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 174.2 | -66.6 | -23.8 | 0 | 0 | 0 | 111.8 | L55 E56 L59 L128 Q129 L134 G135 H140 H143 T144 F148 | L55-W132 HydrophobicContact CB-CH2 4.18Å; L55-W132 HydrophobicContact CB-CZ2 4.28Å; E56-W132 PolarHBondContact OE2-NE1 3.34Å; L59-W132 HydrophobicContact CB-CZ2 4.14Å; L59-W132 HydrophobicContact CD2-CD2 4.45Å; L59-W132 HydrophobicContact CD2-CZ2 4.1Å; L128-W132 HydrophobicContact CD2-CH2 3.84Å; L128-W132 HydrophobicContact CD2-CZ2 3.25Å; L128-W132 HydrophobicContact CG-CD2 4.05Å; L128-W132 HydrophobicContact CG-CH2 4.29Å; L128-W132 HydrophobicContact CG-CZ2 3.68Å; L128-W132 WeakPolarHBondContact O-CB 3.44Å; L128-W132 VanDerWaalsContact O-CG 3.24Å; L128-W132 PolarHBondContact O-N 2.8Å; Q129-W132 HydrophobicContact CG-CE3 4.23Å; Q129-W132 HydrophobicContact CG-CZ3 4.33Å; Q129-W132 PolarHBondContact O-N 3.07Å; W132-L134 PolarHBondContact O-N 3.4Å; W132-G135 PolarHBondContact O-N 3.44Å; W132-H140 AromaticContact CD1-CD2 3.23Å; W132-H140 AromaticContact CD1-NE2 3.7Å; W132-H140 AromaticContact NE1-CD2 3.75Å; W132-H140 AromaticContact NE1-NE2 3.95Å; W132-H143 AromaticContact CD2-CD2 3.83Å; W132-H143 AromaticContact CE3-CD2 3.45Å; W132-H143 VanDerWaalsContact CE3-CD2 3.45Å; W132-H143 AromaticContact CE3-NE2 3.68Å; W132-H143 AromaticContact CH2-NE2 3.93Å; W132-H143 AromaticContact CZ3-CD2 3.68Å; W132-H143 AromaticContact CZ3-NE2 3.41Å; W132-H143 WeakPolarHBondContact CZ3-NE2 3.27Å; W132-T144 VanDerWaalsContact C-OG1 3.3Å; W132-T144 PolarHBondContact O-OG1 3.34Å; W132-F148 HydrophobicContact CB-CD1 4.31Å; W132-F148 HydrophobicContact CB-CE1 3.69Å; W132-F148 AromaticContact CE3-CD1 3.74Å; W132-F148 HydrophobicContact CE3-CD1 3.74Å; W132-F148 HydrophobicContact CE3-CE1 4.22Å; W132-F148 HydrophobicContact CZ3-CD1 4.5Å |
| 133 | A | 95.8 | Very high | 94.7 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -21.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q129 G130 L131 G135 T144 F148 | Q129-A133 WeakPolarHBondContact O-CB 3.28Å; Q129-A133 PolarHBondContact O-N 3.45Å; G130-A133 WeakPolarHBondContact O-CB 3.2Å; G130-A133 PolarHBondContact O-N 2.88Å; L131-A133 VanDerWaalsContact C-N 3.32Å; A133-G135 PolarHBondContact O-N 2.94Å; A133-T144 HydrophobicContact CB-CG2 4.48Å; A133-F148 HydrophobicContact CB-CZ 4.13Å |
| 134 | L | 94.9 | Very high | 94.5 | Very high | 119 Ų | 119 | 49 Ų | 49 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.7 | 172.3 | -60 | 177.4 | 0 | 0 | 0 | 112.8 | G130 L131 W132 L136 | G130-L134 PolarHBondContact O-N 3.49Å; L131-L134 HydrophobicContact CD2-CD1 4.17Å; L131-L134 WeakPolarHBondContact O-CB 3.41Å; L131-L134 PolarHBondContact O-N 3.42Å; W132-L134 PolarHBondContact O-N 3.4Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 HydrophobicContact CB-CD2 4.17Å; L134-L136 HydrophobicContact CB-CG 4.18Å; L134-L136 PolarHBondContact O-N 3.49Å |
| 135 | G | 93 | Very high | 94.3 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 35.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W132 A133 S137 | W132-G135 PolarHBondContact O-N 3.44Å; A133-G135 PolarHBondContact O-N 2.94Å; G135-S137 PolarHBondContact O-N 3.33Å |
| 136 | L | 93.4 | Very high | 94.1 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 45% | 0.45 | 32% | 0.317 | S | S | . | . | trans | -57.9 | -16.5 | -176.6 | -59.4 | 177.4 | 0 | 0 | 0 | 113.7 | V6 L10 L134 | V6-L136 HydrophobicContact CG1-CB 3.84Å; L10-L136 HydrophobicContact CD1-CD1 4.44Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L134-L136 HydrophobicContact CB-CD2 4.17Å; L134-L136 HydrophobicContact CB-CG 4.18Å; L134-L136 PolarHBondContact O-N 3.49Å | ||
| 137 | S | 94.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -149.8 | 165.7 | 172.4 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | G135 L139 H140 L141 | G135-S137 PolarHBondContact O-N 3.33Å; S137-L139 PolarHBondContact O-N 2.91Å; S137-L139 VanDerWaalsContact O-N 3.16Å; S137-L139 PolarHBondContact OG-N 3.48Å; S137-H140 PolarHBondContact O-N 3.45Å; S137-H140 PolarHBondContact OG-N 3.18Å; S137-H140 PolarHBondContact OG-ND1 3.01Å; S137-L141 PolarHBondContact O-N 3.27Å |
| 138 | D | 92.4 | Very high | 93.8 | Very high | 105 Ų | 105 | 53.9 Ų | 53.9 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.5 | -31.9 | 171.8 | -59 | -40.2 | 0 | 0 | 0 | 112.3 | R142 | D138-R142 WeakPolarHBondContact O-CB 3.29Å; D138-R142 VanDerWaalsContact O-CG 3.27Å; D138-R142 WeakPolarHBondContact O-CG 3.47Å; D138-R142 PolarHBondContact O-N 3.09Å |
| 139 | L | 93.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -49.2 | 176.4 | -178.6 | 66.4 | 0 | 0 | 0 | 110.8 | L59 L60 E63 S137 R142 H143 | L59-L139 HydrophobicContact CD1-CD1 4.49Å; L59-L139 HydrophobicContact CD1-CG 4.49Å; L59-L139 HydrophobicContact CD2-CD2 4.26Å; L59-L139 HydrophobicContact CD2-CG 4.14Å; L59-L139 HydrophobicContact CG-CD1 4.42Å; L59-L139 HydrophobicContact CG-CD2 4.15Å; L59-L139 HydrophobicContact CG-CG 4.08Å; L60-L139 HydrophobicContact CD2-CD2 3.72Å; L60-L139 HydrophobicContact CG-CD2 4.42Å; E63-L139 VanDerWaalsContact C-CD1 3.47Å; E63-L139 HydrophobicContact CB-CD1 3.52Å; S137-L139 PolarHBondContact O-N 2.91Å; S137-L139 VanDerWaalsContact O-N 3.16Å; S137-L139 PolarHBondContact OG-N 3.48Å; L139-R142 PolarHBondContact O-N 3.39Å; L139-H143 PolarHBondContact O-N 3.4Å; L139-H143 VanDerWaalsContact O-N 3.12Å |
| 140 | H | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 178 | -61.9 | 140.8 | 0 | 0 | 0 | 112.1 | E56 W132 S137 H143 T144 | E56-H140 IonicContact OE1-CD2 3.59Å; E56-H140 IonicContact OE1-CE1 3.61Å; E56-H140 IonicContact OE1-NE2 3.6Å; E56-H140 PolarHBondContact OE1-NE2 3.37Å; E56-H140 IonicContact OE2-NE2 2.95Å; W132-H140 AromaticContact CD1-CD2 3.23Å; W132-H140 AromaticContact CD1-NE2 3.7Å; W132-H140 AromaticContact NE1-CD2 3.75Å; W132-H140 AromaticContact NE1-NE2 3.95Å; S137-H140 PolarHBondContact O-N 3.45Å; S137-H140 PolarHBondContact OG-N 3.18Å; S137-H140 PolarHBondContact OG-ND1 3.01Å; H140-H143 PolarHBondContact O-N 3.39Å; H140-T144 WeakPolarHBondContact O-CB 3.26Å; H140-T144 PolarHBondContact O-N 3.38Å; H140-T144 PolarHBondContact O-OG1 3.46Å |
| 141 | L | 94.1 | Very high | 93.2 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 45% | 0.445 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 177 | -175.8 | 63.2 | 0 | 0 | 0 | 111.3 | S137 H143 T144 L145 | S137-L141 PolarHBondContact O-N 3.27Å; L141-H143 VanDerWaalsContact C-N 3.35Å; L141-H143 PolarHBondContact O-N 2.56Å; L141-T144 WeakPolarHBondContact O-CB 3.2Å; L141-T144 PolarHBondContact O-N 3.44Å; L141-L145 HydrophobicContact CG-CD1 4.21Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 2.93Å |
| 142 | R | 92.8 | Very high | 93.1 | Very high | 125 Ų | 125 | 61.7 Ų | 61.7 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 177 | -75.7 | -170.4 | -53.8 | -143.6 | 9.1 | 112.2 | E63 D138 L139 T144 L145 Q146 | E63-R142 PolarHBondContact O-NH2 3.38Å; D138-R142 WeakPolarHBondContact O-CB 3.29Å; D138-R142 VanDerWaalsContact O-CG 3.27Å; D138-R142 WeakPolarHBondContact O-CG 3.47Å; D138-R142 PolarHBondContact O-N 3.09Å; L139-R142 PolarHBondContact O-N 3.39Å; R142-T144 VanDerWaalsContact C-N 3.29Å; R142-T144 PolarHBondContact O-N 3.42Å; R142-L145 PolarHBondContact O-N 3.18Å; R142-Q146 WeakPolarHBondContact O-CG 3.46Å; R142-Q146 PolarHBondContact O-N 2.96Å |
| 143 | H | 93.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 62 Ų | 62 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 178.7 | -167.1 | 57.3 | 0 | 0 | 0 | 112.5 | L59 W132 L139 H140 L141 Q146 G147 F148 | L59-H143 HydrophobicContact CD1-CB 3.64Å; L59-H143 VanDerWaalsContact CD1-CG 3.42Å; W132-H143 AromaticContact CD2-CD2 3.83Å; W132-H143 AromaticContact CE3-CD2 3.45Å; W132-H143 VanDerWaalsContact CE3-CD2 3.45Å; W132-H143 AromaticContact CE3-NE2 3.68Å; W132-H143 AromaticContact CH2-NE2 3.93Å; W132-H143 AromaticContact CZ3-CD2 3.68Å; W132-H143 AromaticContact CZ3-NE2 3.41Å; W132-H143 WeakPolarHBondContact CZ3-NE2 3.27Å; L139-H143 PolarHBondContact O-N 3.4Å; L139-H143 VanDerWaalsContact O-N 3.12Å; H140-H143 PolarHBondContact O-N 3.39Å; L141-H143 VanDerWaalsContact C-N 3.35Å; L141-H143 PolarHBondContact O-N 2.56Å; H143-Q146 PolarHBondContact O-N 2.98Å; H143-G147 PolarHBondContact O-N 2.94Å; H143-F148 AromaticContact CD2-CD1 3.71Å; H143-F148 PolarHBondContact O-N 3.36Å |
| 144 | T | 94.1 | Very high | 92.4 | Very high | 38 Ų | 38 | 59.5 Ų | 59.5 | 23% | 0.233 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 173.2 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | W132 A133 H140 L141 R142 Q146 G147 F148 | W132-T144 VanDerWaalsContact C-OG1 3.3Å; W132-T144 PolarHBondContact O-OG1 3.34Å; A133-T144 HydrophobicContact CB-CG2 4.48Å; H140-T144 WeakPolarHBondContact O-CB 3.26Å; H140-T144 PolarHBondContact O-N 3.38Å; H140-T144 PolarHBondContact O-OG1 3.46Å; L141-T144 WeakPolarHBondContact O-CB 3.2Å; L141-T144 PolarHBondContact O-N 3.44Å; R142-T144 VanDerWaalsContact C-N 3.29Å; R142-T144 PolarHBondContact O-N 3.42Å; T144-Q146 PolarHBondContact O-N 3.18Å; T144-G147 WeakPolarHBondContact O-CA 3.29Å; T144-G147 PolarHBondContact O-N 2.88Å; T144-F148 HydrophobicContact CG2-CE1 4.21Å; T144-F148 HydrophobicContact CG2-CZ 3.94Å; T144-F148 WeakPolarHBondContact OG1-CE1 3.37Å |
| 145 | L | 93.3 | Very high | 91.4 | Very high | 138 Ų | 138 | 59.9 Ų | 59.9 | 72% | 0.723 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.4 | -28.2 | 177.3 | -70.2 | 171.7 | 0 | 0 | 0 | 112.8 | L141 R142 G147 | L141-L145 HydrophobicContact CG-CD1 4.21Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 2.93Å; R142-L145 PolarHBondContact O-N 3.18Å; L145-G147 PolarHBondContact O-N 3Å |
| 146 | Q | 91.8 | Very high | 89.6 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1.8 | 171.2 | -66.8 | 164.4 | -21.2 | 0 | 0 | 113 | E63 R142 H143 T144 F148 Q149 | E63-Q146 VanDerWaalsContact CD-OE1 3.29Å; E63-Q146 PolarHBondContact OE1-OE1 3.2Å; E63-Q146 PolarHBondContact OE2-NE2 2.93Å; E63-Q146 PolarHBondContact OE2-OE1 3.36Å; R142-Q146 WeakPolarHBondContact O-CG 3.46Å; R142-Q146 PolarHBondContact O-N 2.96Å; H143-Q146 PolarHBondContact O-N 2.98Å; T144-Q146 PolarHBondContact O-N 3.18Å; Q146-F148 PolarHBondContact O-N 3.32Å; Q146-Q149 WeakPolarHBondContact O-CB 3.13Å; Q146-Q149 WeakPolarHBondContact O-CG 3.5Å; Q146-Q149 PolarHBondContact O-N 3.45Å |
| 147 | G | 91.3 | Very high | 87.5 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 49% | 0.485 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 28.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H143 T144 L145 Q149 | H143-G147 PolarHBondContact O-N 2.94Å; T144-G147 WeakPolarHBondContact O-CA 3.29Å; T144-G147 PolarHBondContact O-N 2.88Å; L145-G147 PolarHBondContact O-N 3Å; G147-Q149 PolarHBondContact O-N 3.42Å |
| 148 | F | 92.1 | Very high | 85 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 26.1 | -176.4 | -41.5 | -65.2 | 0 | 0 | 0 | 113.8 | Q129 W132 A133 H143 T144 Q146 | Q129-F148 HydrophobicContact CB-CD2 4.35Å; Q129-F148 HydrophobicContact CB-CE2 4.3Å; Q129-F148 HydrophobicContact CB-CZ 4.46Å; Q129-F148 HydrophobicContact CG-CB 4.38Å; Q129-F148 HydrophobicContact CG-CD1 4.47Å; Q129-F148 HydrophobicContact CG-CD2 4.16Å; Q129-F148 HydrophobicContact CG-CG 4.08Å; Q129-F148 WeakPolarHBondContact O-CZ 3.3Å; W132-F148 HydrophobicContact CB-CD1 4.31Å; W132-F148 HydrophobicContact CB-CE1 3.69Å; W132-F148 AromaticContact CE3-CD1 3.74Å; W132-F148 HydrophobicContact CE3-CD1 3.74Å; W132-F148 HydrophobicContact CE3-CE1 4.22Å; W132-F148 HydrophobicContact CZ3-CD1 4.5Å; A133-F148 HydrophobicContact CB-CZ 4.13Å; H143-F148 AromaticContact CD2-CD1 3.71Å; H143-F148 PolarHBondContact O-N 3.36Å; T144-F148 HydrophobicContact CG2-CE1 4.21Å; T144-F148 HydrophobicContact CG2-CZ 3.94Å; T144-F148 WeakPolarHBondContact OG1-CE1 3.37Å; Q146-F148 PolarHBondContact O-N 3.32Å |
| 149 | Q | 88.6 | Confident | 82.6 | Confident | 153 Ų | 153 | 73.3 Ų | 73.3 | 72% | 0.715 | 38% | 0.382 | S | S | * | . | trans | -67.8 | 145.3 | 179.9 | -72.5 | 179.7 | 7.7 | 0 | 0 | 110.9 | Q146 G147 | Q146-Q149 WeakPolarHBondContact O-CB 3.13Å; Q146-Q149 WeakPolarHBondContact O-CG 3.5Å; Q146-Q149 PolarHBondContact O-N 3.45Å; G147-Q149 PolarHBondContact O-N 3.42Å | ||
| 150 | C | 91.6 | Very high | 79.9 | Confident | 16 Ų | 16 | 79.6 Ų | 79.6 | 11% | 0.108 | 42% | 0.421 | C | S | . | . | trans | -143.6 | 149.9 | 173 | 60.5 | 0 | 0 | 0 | 0 | 109.9 | C232 S233 | C150-C232 HydrophobicContact CB-CB 4.07Å; C150-C232 WeakPolarHBondContact CB-SG 3.38Å; C150-C232 VanDerWaalsContact O-CA 3.29Å; C150-C232 WeakPolarHBondContact O-CA 3.27Å; C150-C232 WeakPolarHBondContact O-CB 3.42Å; C150-C232 WeakPolarHBondContact SG-CA 3.43Å; C150-C232 WeakPolarHBondContact SG-CB 3.5Å; C150-C232 CovalentContact SG-SG 2.05Å; C150-C232 PolarHBondContact SG-SG 3.45Å; C150-S233 PolarHBondContact O-N 3.35Å; C150-S233 PolarHBondContact O-OG 2.98Å | ||
| 151 | I | 91.1 | Very high | 77.3 | Confident | 125 Ų | 125 | 84.4 Ų | 84.4 | 64% | 0.641 | 45% | 0.454 | S | S | * | . | B | Isolated β-bridge | trans | -106.5 | 140.6 | 177.5 | -58.4 | 174.3 | 0 | 0 | 0 | 108 | R58 | R58-I151 PolarHBondContact NH2-O 2.84Å |
| 152 | S | 91.2 | Very high | 74.9 | Confident | 4 Ų | 4 | 88.4 Ų | 88.4 | 3% | 0.028 | 48% | 0.475 | C | S | . | . | trans | -59.3 | 134.5 | 174.2 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | I154 S233 Y240 | S152-I154 PolarHBondContact O-N 2.9Å; S152-I154 WeakPolarHBondContact OG-CB 3.41Å; S152-I154 PolarHBondContact OG-N 3.03Å; S152-S233 WeakPolarHBondContact CB-O 3.46Å; S152-S233 PolarHBondContact N-O 3.41Å; S152-Y240 WeakPolarHBondContact CB-OH 3.38Å | ||
| 153 | P | 88.9 | Confident | 72.9 | Confident | 20 Ų | 20 | 88.9 Ų | 88.9 | 13% | 0.13 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -69.7 | -13.1 | 170.7 | 30.3 | -35 | 0 | 0 | 0 | 112.7 | H155 M215 | P153-H155 PolarHBondContact O-CD2 3.09Å; P153-H155 PolarHBondContact O-N 2.85Å; P153-M215 CarbonylContact C-O 3.31Å; P153-M215 VanDerWaalsContact C-O 3.31Å; P153-M215 CarbonylContact O-C 3.58Å; P153-M215 VanDerWaalsContact O-O 3.06Å |
| 154 | I | 88.8 | Confident | 70.8 | Confident | 5 Ų | 5 | 94.1 Ų | 94.1 | 3% | 0.026 | 52% | 0.52 | C | S | . | . | trans | -70.8 | 93 | 175.4 | -53.5 | 170.5 | 0 | 0 | 0 | 107.8 | S152 A171 M215 H235 Y240 V243 Y244 | S152-I154 PolarHBondContact O-N 2.9Å; S152-I154 WeakPolarHBondContact OG-CB 3.41Å; S152-I154 PolarHBondContact OG-N 3.03Å; I154-A171 HydrophobicContact CD1-CB 4.39Å; I154-A171 HydrophobicContact CG1-CB 4.05Å; I154-A171 HydrophobicContact CG2-CB 3.94Å; I154-M215 WeakPolarHBondContact CA-O 3.12Å; I154-M215 PolarHBondContact N-O 2.93Å; I154-H235 WeakPolarHBondContact CB-NE2 3.4Å; I154-H235 WeakPolarHBondContact CG2-NE2 3.09Å; I154-H235 PolarHBondContact O-NE2 3.25Å; I154-Y240 HydrophobicContact CD1-CD1 4.14Å; I154-Y240 HydrophobicContact CD1-CE1 4.17Å; I154-V243 HydrophobicContact CD1-CB 4.15Å; I154-V243 HydrophobicContact CD1-CG1 3.91Å; I154-V243 HydrophobicContact CD1-CG2 4.09Å; I154-Y244 HydrophobicContact CD1-CE2 3.81Å | ||
| 155 | H | 73.3 | Confident | 68.9 | Low | 127 Ų | 127 | 96 Ų | 96 | 59% | 0.588 | 53% | 0.533 | S | S | * | . | trans | -71 | 129.9 | 177.7 | -65.7 | -55.4 | 0 | 0 | 0 | 110.8 | P153 P167 | P153-H155 PolarHBondContact O-CD2 3.09Å; P153-H155 PolarHBondContact O-N 2.85Å; H155-P167 WeakPolarHBondContact O-CB 3.37Å | ||
| 156 | T | 56.1 | Low | 67.7 | Low | 75 Ų | 75 | 91.4 Ų | 91.4 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | trans | -95.2 | 97.5 | 170.1 | 53.2 | 0 | 0 | 0 | 0 | 109.1 | T158 H235 | T156-T158 PolarHBondContact O-N 3.2Å; T156-H235 WeakPolarHBondContact CG2-CE1 3.44Å | ||
| 157 | D | 50.1 | Low | 67.1 | Low | 141 Ų | 141 | 89.4 Ų | 89.4 | 75% | 0.754 | 51% | 0.512 | S | S | * | . | trans | -70.5 | 93.9 | 159.6 | -73.2 | -21.4 | 0 | 0 | 0 | 107.1 | H159 | D157-H159 PolarHBondContact O-N 3.07Š| ||
| 158 | T | 42 | Very low | 66.9 | Low | 118 Ų | 118 | 87.9 Ų | 87.9 | 72% | 0.724 | 49% | 0.493 | S | S | * | . | trans | -71.8 | 71.1 | 176.3 | 40.9 | 0 | 0 | 0 | 0 | 110.1 | T156 | T156-T158 PolarHBondContact O-N 3.2Š| ||
| 159 | H | 41.8 | Very low | 66.8 | Low | 180 Ų | 180 | 88.4 Ų | 88.4 | 83% | 0.833 | 50% | 0.5 | S | S | * | . | trans | -166.3 | 88.4 | 160 | -111.9 | -86.2 | 0 | 0 | 0 | 107.6 | D157 | D157-H159 PolarHBondContact O-N 3.07Š| ||
| 160 | T | 37 | Very low | 66.9 | Low | 139 Ų | 139 | 84.3 Ų | 84.3 | 85% | 0.853 | 49% | 0.485 | S | S | * | . | trans | 177.4 | 133.5 | 136.9 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 161 | S | 39 | Very low | 67 | Low | 101 Ų | 101 | 83.6 Ų | 83.6 | 71% | 0.706 | 48% | 0.481 | S | S | * | . | trans | -46.9 | 142.4 | -173 | -50.7 | 0 | 0 | 0 | 0 | 118.5 | V163 | S161-V163 PolarHBondContact O-N 2.82Š| ||
| 162 | L | 44.8 | Very low | 67.2 | Low | 169 Ų | 169 | 78.4 Ų | 78.4 | 89% | 0.885 | 46% | 0.457 | S | S | * | . | S | Bend | 29.7 | 75.7 | 129.5 | -156.9 | 92.2 | 0 | 0 | 0 | 116.2 | |||
| 163 | V | 50.6 | Low | 67.4 | Low | 136 Ų | 136 | 80.8 Ų | 80.8 | 82% | 0.824 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -174.1 | -25.5 | 139.8 | 158.6 | 0 | 0 | 0 | 0 | 111 | S161 | S161-V163 PolarHBondContact O-N 2.82Š|
| 164 | L | 48.9 | Very low | 67.8 | Low | 119 Ų | 119 | 81.3 Ų | 81.3 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -160.7 | 128.5 | 165.9 | -136.7 | 66.2 | 0 | 0 | 0 | 109.2 | G166 V169 | L164-G166 PolarHBondContact O-N 3.2Å; L164-V169 HydrophobicContact CB-CG2 3.91Å; L164-V169 HydrophobicContact CD2-CB 4.33Å; L164-V169 HydrophobicContact CD2-CG1 4.06Å; L164-V169 HydrophobicContact CD2-CG2 3.31Å; L164-V169 HydrophobicContact CG-CG2 3.36Å |
| 165 | P | 53.9 | Low | 68.2 | Low | 78 Ų | 78 | 81 Ų | 81 | 51% | 0.506 | 48% | 0.478 | S | S | . | . | trans | -64.9 | 98.5 | -178.6 | 22.5 | -29.5 | 0 | 0 | 0 | 109.7 | P167 L168 V169 | P165-P167 VanDerWaalsContact C-N 3.29Å; P165-P167 VanDerWaalsContact O-N 3.09Å; P165-L168 HydrophobicContact CB-CB 4.13Å; P165-L168 HydrophobicContact CG-CB 3.93Å; P165-L168 HydrophobicContact CG-CD2 3.93Å; P165-L168 PolarHBondContact O-N 3.22Å; P165-V169 WeakPolarHBondContact O-CG2 3.36Å; P165-V169 PolarHBondContact O-N 2.9Å; P165-V169 VanDerWaalsContact O-N 3.09Å | ||
| 166 | G | 68.8 | Low | 69.4 | Low | 41 Ų | 41 | 77.8 Ų | 77.8 | 42% | 0.423 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -41.8 | -48.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | L164 L168 V169 T170 | L164-G166 PolarHBondContact O-N 3.2Å; G166-L168 PolarHBondContact O-N 3.34Å; G166-V169 PolarHBondContact O-N 3.19Å; G166-T170 PolarHBondContact O-N 2.89Å; G166-T170 PolarHBondContact O-OG1 3.34Å |
| 167 | P | 79 | Confident | 71.4 | Confident | 37 Ų | 37 | 76.8 Ų | 76.8 | 24% | 0.24 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -70.8 | -33.1 | -177.6 | -14.8 | 27.2 | 0 | 0 | 0 | 114.9 | H155 P165 A171 | H155-P167 WeakPolarHBondContact O-CB 3.37Å; P165-P167 VanDerWaalsContact C-N 3.29Å; P165-P167 VanDerWaalsContact O-N 3.09Å; P167-A171 VanDerWaalsContact O-CB 3.31Å; P167-A171 WeakPolarHBondContact O-CB 3.37Å; P167-A171 PolarHBondContact O-N 2.92Å |
| 168 | L | 87.8 | Confident | 73.7 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.6 | -38.4 | 176 | -170.5 | 73.2 | 0 | 0 | 0 | 111 | P165 G166 A171 A172 D239 L242 V243 | P165-L168 HydrophobicContact CB-CB 4.13Å; P165-L168 HydrophobicContact CG-CB 3.93Å; P165-L168 HydrophobicContact CG-CD2 3.93Å; P165-L168 PolarHBondContact O-N 3.22Å; G166-L168 PolarHBondContact O-N 3.34Å; L168-A171 PolarHBondContact O-N 3Å; L168-A172 WeakPolarHBondContact O-CB 3.27Å; L168-A172 PolarHBondContact O-N 3.07Å; L168-D239 HydrophobicContact CD1-CB 3.79Å; L168-L242 HydrophobicContact CD2-CD1 4.34Å; L168-L242 HydrophobicContact CD2-CD2 4.24Å; L168-L242 HydrophobicContact CG-CD2 4.1Å; L168-V243 HydrophobicContact CD1-CG2 3.4Å; L168-V243 VanDerWaalsContact CD1-CG2 3.4Å; L168-V243 HydrophobicContact CG-CG2 4.01Å |
| 169 | V | 89 | Confident | 76.4 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 35% | 0.345 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | L164 P165 G166 A171 A172 A173 | L164-V169 HydrophobicContact CB-CG2 3.91Å; L164-V169 HydrophobicContact CD2-CB 4.33Å; L164-V169 HydrophobicContact CD2-CG1 4.06Å; L164-V169 HydrophobicContact CD2-CG2 3.31Å; L164-V169 HydrophobicContact CG-CG2 3.36Å; P165-V169 WeakPolarHBondContact O-CG2 3.36Å; P165-V169 PolarHBondContact O-N 2.9Å; P165-V169 VanDerWaalsContact O-N 3.09Å; G166-V169 PolarHBondContact O-N 3.19Å; V169-A171 VanDerWaalsContact C-N 3.34Å; V169-A172 PolarHBondContact O-N 2.92Å; V169-A173 WeakPolarHBondContact O-CB 3.41Å; V169-A173 PolarHBondContact O-N 2.96Å |
| 170 | T | 90.7 | Very high | 79.1 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.6 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | G166 A173 V174 M215 | G166-T170 PolarHBondContact O-N 2.89Å; G166-T170 PolarHBondContact O-OG1 3.34Å; T170-A173 PolarHBondContact O-N 2.98Å; T170-V174 WeakPolarHBondContact O-CG2 3.34Å; T170-V174 PolarHBondContact O-N 2.85Å; T170-M215 HydrophobicContact CG2-CE 3.22Å |
| 171 | A | 93.7 | Very high | 82 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 2% | 0.017 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I154 P167 L168 V169 A173 V174 E175 T216 V243 | I154-A171 HydrophobicContact CD1-CB 4.39Å; I154-A171 HydrophobicContact CG1-CB 4.05Å; I154-A171 HydrophobicContact CG2-CB 3.94Å; P167-A171 VanDerWaalsContact O-CB 3.31Å; P167-A171 WeakPolarHBondContact O-CB 3.37Å; P167-A171 PolarHBondContact O-N 2.92Å; L168-A171 PolarHBondContact O-N 3Å; V169-A171 VanDerWaalsContact C-N 3.34Å; A171-A173 VanDerWaalsContact C-N 3.31Å; A171-A173 PolarHBondContact O-N 3.23Å; A171-V174 PolarHBondContact O-N 3.25Å; A171-E175 PolarHBondContact O-N 3.41Å; A171-T216 VanDerWaalsContact CA-CG2 3.5Å; A171-T216 HydrophobicContact CB-CG2 3.63Å; A171-T216 WeakPolarHBondContact O-CG2 3.46Å; A171-V243 HydrophobicContact CB-CG1 3.88Å; A171-V243 HydrophobicContact CB-CG2 3.98Å |
| 172 | A | 95.8 | Very high | 84.8 | Confident | 16 Ų | 16 | 50.4 Ų | 50.4 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L168 V169 E175 L176 L242 V243 A247 | L168-A172 WeakPolarHBondContact O-CB 3.27Å; L168-A172 PolarHBondContact O-N 3.07Å; V169-A172 PolarHBondContact O-N 2.92Å; A172-E175 PolarHBondContact O-N 3.48Å; A172-L176 WeakPolarHBondContact O-CB 3.32Å; A172-L176 PolarHBondContact O-N 3.03Å; A172-L242 HydrophobicContact CB-CD2 3.7Å; A172-V243 HydrophobicContact CB-CG2 4.3Å; A172-A247 HydrophobicContact CB-CB 4Å; A172-A247 VanDerWaalsContact O-CB 3.26Å; A172-A247 WeakPolarHBondContact O-CB 3.43Å |
| 173 | A | 95.6 | Very high | 87.3 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 45% | 0.446 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V169 T170 A171 A177 | V169-A173 WeakPolarHBondContact O-CB 3.41Å; V169-A173 PolarHBondContact O-N 2.96Å; T170-A173 PolarHBondContact O-N 2.98Å; A171-A173 VanDerWaalsContact C-N 3.31Å; A171-A173 PolarHBondContact O-N 3.23Å; A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.2Å |
| 174 | V | 96.3 | Very high | 89.5 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -48.2 | 174.5 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | T170 A171 A177 G178 M215 T216 F220 | T170-V174 WeakPolarHBondContact O-CG2 3.34Å; T170-V174 PolarHBondContact O-N 2.85Å; A171-V174 PolarHBondContact O-N 3.25Å; V174-A177 PolarHBondContact O-N 3.34Å; V174-G178 PolarHBondContact O-N 3.27Å; V174-M215 HydrophobicContact CG2-CE 4.01Å; V174-M215 HydrophobicContact CG2-SD 3.85Å; V174-T216 HydrophobicContact CB-CG2 4.02Å; V174-T216 HydrophobicContact CG1-CG2 4.01Å; V174-F220 HydrophobicContact CG1-CE1 4.44Å; V174-F220 WeakPolarHBondContact O-CE1 3.29Å |
| 175 | E | 98.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | -179.9 | -74.4 | -67.4 | 146.5 | 0 | 0 | 112.7 | A171 A172 A179 T216 V219 F220 V243 Y244 A247 P248 | A171-E175 PolarHBondContact O-N 3.41Å; A172-E175 PolarHBondContact O-N 3.48Å; E175-A179 VanDerWaalsContact O-CB 3.29Å; E175-A179 WeakPolarHBondContact O-CB 3.42Å; E175-A179 PolarHBondContact O-N 2.86Å; E175-T216 HydrophobicContact CG-CG2 4.02Å; E175-T216 WeakPolarHBondContact OE1-CB 3.42Å; E175-T216 PolarHBondContact OE1-OG1 3.45Å; E175-V219 PolarHBondContact OE1-N 3.46Å; E175-F220 HydrophobicContact CB-CD1 4.42Å; E175-F220 WeakPolarHBondContact O-CD1 3.36Å; E175-F220 VanDerWaalsContact OE2-CA 3.26Å; E175-F220 WeakPolarHBondContact OE2-CA 3.19Å; E175-F220 WeakPolarHBondContact OE2-CD1 3.21Å; E175-F220 PolarHBondContact OE2-N 2.88Å; E175-V243 HydrophobicContact CB-CG1 4.5Å; E175-V243 WeakPolarHBondContact CB-O 3.49Å; E175-V243 HydrophobicContact CG-CG1 3.81Å; E175-V243 WeakPolarHBondContact CG-O 3.29Å; E175-Y244 HydrophobicContact CG-CD1 4.07Å; E175-Y244 HydrophobicContact CG-CE1 4.18Å; E175-A247 HydrophobicContact CB-CB 4.25Å; E175-P248 HydrophobicContact CB-CG 4Å |
| 176 | L | 98.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.3 | -50.8 | 173.3 | -175.4 | 154.8 | 0 | 0 | 0 | 111.3 | A172 G178 A179 F180 A247 L250 G251 | A172-L176 WeakPolarHBondContact O-CB 3.32Å; A172-L176 PolarHBondContact O-N 3.03Å; L176-G178 PolarHBondContact O-N 3.27Å; L176-A179 PolarHBondContact O-N 2.97Å; L176-F180 WeakPolarHBondContact O-CB 3.43Å; L176-F180 PolarHBondContact O-N 3.28Å; L176-A247 WeakPolarHBondContact CA-O 3.43Å; L176-A247 HydrophobicContact CB-CB 4.16Å; L176-L250 HydrophobicContact CD1-CB 3.94Å; L176-G251 WeakPolarHBondContact O-CA 3.35Å |
| 177 | A | 98.1 | Very high | 94.7 | Very high | 53 Ų | 53 | 31.3 Ų | 31.3 | 44% | 0.438 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.5 | -40.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A173 V174 F180 A181 | A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.2Å; V174-A177 PolarHBondContact O-N 3.34Å; A177-F180 PolarHBondContact O-N 2.9Å; A177-A181 WeakPolarHBondContact O-CB 3.35Å; A177-A181 PolarHBondContact O-N 3.43Å |
| 178 | G | 98.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V174 L176 F180 A181 M182 | V174-G178 PolarHBondContact O-N 3.27Å; L176-G178 PolarHBondContact O-N 3.27Å; G178-F180 PolarHBondContact O-N 3.49Å; G178-A181 PolarHBondContact O-N 2.87Å; G178-M182 WeakPolarHBondContact O-CB 3.1Å; G178-M182 VanDerWaalsContact O-CG 3.29Å; G178-M182 WeakPolarHBondContact O-CG 3.17Å; G178-M182 PolarHBondContact O-N 2.66Å |
| 179 | A | 98.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E175 L176 M182 Q183 F220 P248 | E175-A179 VanDerWaalsContact O-CB 3.29Å; E175-A179 WeakPolarHBondContact O-CB 3.42Å; E175-A179 PolarHBondContact O-N 2.86Å; L176-A179 PolarHBondContact O-N 2.97Å; A179-M182 PolarHBondContact O-N 2.88Å; A179-Q183 VanDerWaalsContact O-CB 3.32Å; A179-Q183 WeakPolarHBondContact O-CB 3.48Å; A179-Q183 PolarHBondContact O-N 2.98Å; A179-F220 HydrophobicContact CB-CB 4.17Å; A179-P248 HydrophobicContact CB-CB 3.9Å; A179-P248 VanDerWaalsContact CB-O 3.32Å; A179-P248 WeakPolarHBondContact CB-O 3.47Å |
| 180 | F | 98.5 | Very high | 95.4 | Very high | 63 Ų | 63 | 37.1 Ų | 37.1 | 28% | 0.276 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.9 | -49 | 172.5 | 175.6 | -85.9 | 0 | 0 | 0 | 111.3 | L176 A177 G178 Q183 T184 G251 C254 S255 L258 F259 | L176-F180 WeakPolarHBondContact O-CB 3.43Å; L176-F180 PolarHBondContact O-N 3.28Å; A177-F180 PolarHBondContact O-N 2.9Å; G178-F180 PolarHBondContact O-N 3.49Å; F180-Q183 PolarHBondContact O-N 3.27Å; F180-T184 VanDerWaalsContact O-CB 3.25Å; F180-T184 WeakPolarHBondContact O-CB 3.47Å; F180-T184 PolarHBondContact O-N 3.08Å; F180-T184 PolarHBondContact O-OG1 3.04Å; F180-G251 WeakPolarHBondContact CA-O 3.38Å; F180-G251 WeakPolarHBondContact CB-O 3.45Å; F180-C254 HydrophobicContact CD2-CB 4.02Å; F180-C254 HydrophobicContact CE2-CB 4.42Å; F180-S255 VanDerWaalsContact CE2-CA 3.45Å; F180-L258 HydrophobicContact CE2-CD2 4.1Å; F180-L258 HydrophobicContact CZ-CD2 3.86Å; F180-F259 HydrophobicContact CZ-CE2 4.47Å |
| 181 | A | 98.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A177 G178 T184 A185 L208 | A177-A181 WeakPolarHBondContact O-CB 3.35Å; A177-A181 PolarHBondContact O-N 3.43Å; G178-A181 PolarHBondContact O-N 2.87Å; A181-T184 WeakPolarHBondContact O-CB 3.34Å; A181-T184 PolarHBondContact O-N 2.83Å; A181-A185 WeakPolarHBondContact O-CB 3.36Å; A181-A185 PolarHBondContact O-N 3.3Å; A181-L208 HydrophobicContact CB-CD1 4.29Å; A181-L208 HydrophobicContact CB-CD2 4.4Å |
| 182 | M | 97.7 | Very high | 95 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 14% | 0.143 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.6 | -73.3 | -65.4 | -70.4 | 0 | 0 | 111.9 | G178 A179 T184 A185 F186 I201 L204 L208 F220 | G178-M182 WeakPolarHBondContact O-CB 3.1Å; G178-M182 VanDerWaalsContact O-CG 3.29Å; G178-M182 WeakPolarHBondContact O-CG 3.17Å; G178-M182 PolarHBondContact O-N 2.66Å; A179-M182 PolarHBondContact O-N 2.88Å; M182-T184 VanDerWaalsContact C-N 3.33Å; M182-T184 PolarHBondContact O-N 3.36Å; M182-A185 PolarHBondContact O-N 2.92Å; M182-F186 HydrophobicContact CB-CE2 4.4Å; M182-F186 HydrophobicContact CE-CE2 3.98Å; M182-F186 HydrophobicContact CE-CZ 3.97Å; M182-F186 WeakPolarHBondContact O-CD2 3.42Å; M182-F186 WeakPolarHBondContact O-CG 3.45Å; M182-F186 PolarHBondContact O-N 3.48Å; M182-I201 HydrophobicContact CE-CG2 3.81Å; M182-L204 HydrophobicContact SD-CB 4.48Å; M182-L204 HydrophobicContact SD-CD2 3.75Å; M182-L204 HydrophobicContact SD-CG 3.88Å; M182-L208 HydrophobicContact CG-CD1 3.7Å; M182-L208 HydrophobicContact SD-CD1 3.97Å; M182-F220 HydrophobicContact CG-CD2 4.46Å |
| 183 | Q | 97.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 178 | -176.8 | 58.2 | 41.7 | 0 | 0 | 112 | A179 F180 F186 T187 M252 V256 | A179-Q183 VanDerWaalsContact O-CB 3.32Å; A179-Q183 WeakPolarHBondContact O-CB 3.48Å; A179-Q183 PolarHBondContact O-N 2.98Å; F180-Q183 PolarHBondContact O-N 3.27Å; Q183-F186 PolarHBondContact O-N 3.31Å; Q183-T187 PolarHBondContact NE2-OG1 3.3Å; Q183-T187 WeakPolarHBondContact O-CB 3.42Å; Q183-T187 PolarHBondContact O-N 3.39Å; Q183-T187 PolarHBondContact O-OG1 3.44Å; Q183-M252 HydrophobicContact CB-CB 4.41Å; Q183-M252 HydrophobicContact CB-CG 4.15Å; Q183-M252 HydrophobicContact CG-CG 3.83Å; Q183-V256 HydrophobicContact CG-CG2 4.03Å |
| 184 | T | 96.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 175.5 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | F180 A181 M182 F186 T187 H188 S255 F259 | F180-T184 VanDerWaalsContact O-CB 3.25Å; F180-T184 WeakPolarHBondContact O-CB 3.47Å; F180-T184 PolarHBondContact O-N 3.08Å; F180-T184 PolarHBondContact O-OG1 3.04Å; A181-T184 WeakPolarHBondContact O-CB 3.34Å; A181-T184 PolarHBondContact O-N 2.83Å; M182-T184 VanDerWaalsContact C-N 3.33Å; M182-T184 PolarHBondContact O-N 3.36Å; T184-F186 PolarHBondContact O-N 2.97Å; T184-T187 PolarHBondContact O-N 3.14Å; T184-H188 PolarHBondContact O-CD2 3.14Å; T184-H188 VanDerWaalsContact O-CD2 3.23Å; T184-H188 PolarHBondContact O-N 2.91Å; T184-S255 WeakPolarHBondContact CA-OG 3.32Å; T184-S255 PolarHBondContact N-OG 3.41Å; T184-S255 PolarHBondContact OG1-OG 3.26Å; T184-F259 HydrophobicContact CG2-CE2 3.48Å; T184-F259 VanDerWaalsContact CG2-CE2 3.48Å; T184-F259 HydrophobicContact CG2-CZ 3.51Å; T184-F259 WeakPolarHBondContact OG1-CE2 3.38Å |
| 185 | A | 96.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A181 M182 T187 H188 T189 I201 L204 | A181-A185 WeakPolarHBondContact O-CB 3.36Å; A181-A185 PolarHBondContact O-N 3.3Å; M182-A185 PolarHBondContact O-N 2.92Å; A185-T187 VanDerWaalsContact C-N 3.28Å; A185-T187 PolarHBondContact O-N 2.92Å; A185-H188 PolarHBondContact O-N 3.18Å; A185-T189 VanDerWaalsContact O-CB 3.26Å; A185-T189 WeakPolarHBondContact O-CB 3.39Å; A185-T189 WeakPolarHBondContact O-CG2 3.49Å; A185-T189 PolarHBondContact O-N 3.37Å; A185-T189 PolarHBondContact O-OG1 3.04Å; A185-I201 HydrophobicContact CB-CD1 3.74Å; A185-L204 HydrophobicContact CB-CD2 3.4Å |
| 186 | F | 93.5 | Very high | 93.8 | Very high | 59 Ų | 59 | 62 Ų | 62 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 175.9 | -74.5 | -52.6 | 0 | 0 | 0 | 112.9 | M182 Q183 T184 H190 I201 | M182-F186 HydrophobicContact CB-CE2 4.4Å; M182-F186 HydrophobicContact CE-CE2 3.98Å; M182-F186 HydrophobicContact CE-CZ 3.97Å; M182-F186 WeakPolarHBondContact O-CD2 3.42Å; M182-F186 WeakPolarHBondContact O-CG 3.45Å; M182-F186 PolarHBondContact O-N 3.48Å; Q183-F186 PolarHBondContact O-N 3.31Å; T184-F186 PolarHBondContact O-N 2.97Å; F186-H190 PolarHBondContact O-N 3.01Å; F186-I201 HydrophobicContact CD1-CD1 3.64Å; F186-I201 HydrophobicContact CD1-CG1 4.05Å; F186-I201 HydrophobicContact CE1-CB 4.4Å; F186-I201 HydrophobicContact CE1-CD1 3.73Å; F186-I201 HydrophobicContact CE1-CG1 3.8Å; F186-I201 HydrophobicContact CE1-CG2 3.73Å; F186-I201 HydrophobicContact CG-CD1 4.27Å; F186-I201 HydrophobicContact CZ-CD1 4.41Å; F186-I201 HydrophobicContact CZ-CG2 3.85Å |
| 187 | T | 92 | Very high | 93.6 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68 | -47.3 | -179.9 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | Q183 T184 A185 H190 | Q183-T187 PolarHBondContact NE2-OG1 3.3Å; Q183-T187 WeakPolarHBondContact O-CB 3.42Å; Q183-T187 PolarHBondContact O-N 3.39Å; Q183-T187 PolarHBondContact O-OG1 3.44Å; T184-T187 PolarHBondContact O-N 3.14Å; A185-T187 VanDerWaalsContact C-N 3.28Å; A185-T187 PolarHBondContact O-N 2.92Å; T187-H190 PolarHBondContact O-ND1 3.49Å |
| 188 | H | 91.1 | Very high | 93.5 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -80.9 | -25.3 | -176.1 | -73.3 | -65.1 | 0 | 0 | 0 | 114.6 | T184 A185 H190 F259 | T184-H188 PolarHBondContact O-CD2 3.14Å; T184-H188 VanDerWaalsContact O-CD2 3.23Å; T184-H188 PolarHBondContact O-N 2.91Å; A185-H188 PolarHBondContact O-N 3.18Å; H188-H190 VanDerWaalsContact C-N 3.33Å; H188-F259 AromaticContact CE1-CD1 3.74Å; H188-F259 AromaticContact CE1-CE1 3.74Å; H188-F259 AromaticContact NE2-CD1 3.28Å; H188-F259 VanDerWaalsContact NE2-CD1 3.28Å; H188-F259 WeakPolarHBondContact NE2-CD1 3.41Å; H188-F259 AromaticContact NE2-CE1 2.99Å; H188-F259 WeakPolarHBondContact NE2-CE1 3.49Å; H188-F259 AromaticContact NE2-CG 3.94Å; H188-F259 AromaticContact NE2-CZ 3.43Å; H188-F259 WeakPolarHBondContact NE2-CZ 3.31Å |
| 189 | T | 91.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 64.4 Ų | 64.4 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 1.9 | 178.3 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | A185 T191 M192 R197 | A185-T189 VanDerWaalsContact O-CB 3.26Å; A185-T189 WeakPolarHBondContact O-CB 3.39Å; A185-T189 WeakPolarHBondContact O-CG2 3.49Å; A185-T189 PolarHBondContact O-N 3.37Å; A185-T189 PolarHBondContact O-OG1 3.04Å; T189-T191 VanDerWaalsContact C-N 3.26Å; T189-T191 PolarHBondContact O-N 3.48Å; T189-M192 HydrophobicContact CG2-SD 3.62Å; T189-M192 VanDerWaalsContact O-CB 3.31Å; T189-M192 WeakPolarHBondContact O-CB 3.31Å; T189-M192 PolarHBondContact O-N 3.43Å; T189-R197 WeakPolarHBondContact O-CD 3.27Å |
| 190 | H | 86.7 | Confident | 93.3 | Very high | 108 Ų | 108 | 66.2 Ų | 66.2 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.1 | -172.9 | 97.1 | -88 | 0 | 0 | 0 | 113.9 | F186 T187 H188 | F186-H190 PolarHBondContact O-N 3.01Å; T187-H190 PolarHBondContact O-ND1 3.49Å; H188-H190 VanDerWaalsContact C-N 3.33Å |
| 191 | T | 87.4 | Confident | 93.2 | Very high | 114 Ų | 114 | 64.2 Ų | 64.2 | 70% | 0.699 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.1 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 113 | T189 | T189-T191 VanDerWaalsContact C-N 3.26Å; T189-T191 PolarHBondContact O-N 3.48Å |
| 192 | M | 90.1 | Very high | 93.2 | Very high | 91 Ų | 91 | 63 Ų | 63 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -74.5 | 147.2 | 179.3 | -60.7 | -179.6 | 83.9 | 0 | 0 | 110.4 | T189 Q194 R197 | T189-M192 HydrophobicContact CG2-SD 3.62Å; T189-M192 VanDerWaalsContact O-CB 3.31Å; T189-M192 WeakPolarHBondContact O-CB 3.31Å; T189-M192 PolarHBondContact O-N 3.43Å; M192-Q194 PolarHBondContact O-N 3.06Å; M192-R197 HydrophobicContact CB-CB 4.42Å |
| 193 | D | 90.1 | Very high | 93.2 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | trans | -54.5 | 133.8 | 173.7 | -135.5 | 1.3 | 0 | 0 | 0 | 110.5 | R195 Y196 R197 | D193-R195 HydrophobicContact CB-CG 4.13Å; D193-R195 PolarHBondContact O-N 3.16Å; D193-R195 VanDerWaalsContact O-N 3.09Å; D193-R195 IonicContact OD2-CZ 3.82Å; D193-R195 IonicContact OD2-NE 2.86Å; D193-R195 PolarHBondContact OD2-NE 2.97Å; D193-R195 IonicContact OD2-NH2 2.76Å; D193-R195 PolarHBondContact OD2-NH2 2.9Å; D193-R195 VanDerWaalsContact OD2-NH2 3.16Å; D193-Y196 HydrophobicContact CB-CD2 3.78Å; D193-Y196 HydrophobicContact CB-CE2 4.29Å; D193-Y196 PolarHBondContact O-N 3.49Å; D193-R197 PolarHBondContact O-N 2.95Å | ||
| 194 | Q | 88.6 | Confident | 93.3 | Very high | 125 Ų | 125 | 65.3 Ų | 65.3 | 58% | 0.584 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.3 | -36.1 | -171.1 | -174.7 | 179 | -14.3 | 0 | 0 | 112.3 | M192 Y196 R197 V198 | M192-Q194 PolarHBondContact O-N 3.06Å; Q194-Y196 VanDerWaalsContact C-N 3.27Å; Q194-Y196 PolarHBondContact O-N 3.03Å; Q194-R197 PolarHBondContact O-N 3.5Å; Q194-V198 HydrophobicContact CG-CG2 4.2Å; Q194-V198 WeakPolarHBondContact O-CG2 3.41Å; Q194-V198 PolarHBondContact O-N 3.01Å |
| 195 | R | 88.9 | Confident | 93.4 | Very high | 149 Ų | 149 | 65.4 Ų | 65.4 | 56% | 0.562 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -55.2 | -39.3 | 176.6 | 61 | 178.9 | 168.2 | 156.7 | 3.2 | 113.1 | D193 H199 | D193-R195 HydrophobicContact CB-CG 4.13Å; D193-R195 PolarHBondContact O-N 3.16Å; D193-R195 VanDerWaalsContact O-N 3.09Å; D193-R195 IonicContact OD2-CZ 3.82Å; D193-R195 IonicContact OD2-NE 2.86Å; D193-R195 PolarHBondContact OD2-NE 2.97Å; D193-R195 IonicContact OD2-NH2 2.76Å; D193-R195 PolarHBondContact OD2-NH2 2.9Å; D193-R195 VanDerWaalsContact OD2-NH2 3.16Å; R195-H199 PolarHBondContact O-CD2 2.78Å |
| 196 | Y | 91.7 | Very high | 93.4 | Very high | 123 Ų | 123 | 65.1 Ų | 65.1 | 48% | 0.482 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87.8 | -38.2 | 179.8 | -59.5 | -62.6 | 0 | 0 | 0 | 111.5 | D193 Q194 V198 H199 A200 | D193-Y196 HydrophobicContact CB-CD2 3.78Å; D193-Y196 HydrophobicContact CB-CE2 4.29Å; D193-Y196 PolarHBondContact O-N 3.49Å; Q194-Y196 VanDerWaalsContact C-N 3.27Å; Q194-Y196 PolarHBondContact O-N 3.03Å; Y196-V198 VanDerWaalsContact C-N 3.29Å; Y196-V198 PolarHBondContact O-N 3.39Å; Y196-H199 PolarHBondContact O-N 3.23Å; Y196-A200 PolarHBondContact O-N 3.32Å |
| 197 | R | 94.4 | Very high | 93.7 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 179.7 | -177.2 | 176.9 | -178.9 | -168.6 | -4.9 | 111.8 | T189 M192 D193 Q194 H199 A200 I201 | T189-R197 WeakPolarHBondContact O-CD 3.27Å; M192-R197 HydrophobicContact CB-CB 4.42Å; D193-R197 PolarHBondContact O-N 2.95Å; Q194-R197 PolarHBondContact O-N 3.5Å; R197-H199 PolarHBondContact O-N 3.24Å; R197-A200 PolarHBondContact O-N 3.32Å; R197-I201 HydrophobicContact CG-CG1 4.45Å; R197-I201 WeakPolarHBondContact O-CG1 3.45Å; R197-I201 PolarHBondContact O-N 3.41Å |
| 198 | V | 95.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 179.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | V80 L84 Q194 Y196 I201 A202 | V80-V198 HydrophobicContact CB-CG1 4.22Å; V80-V198 HydrophobicContact CG1-CG1 4.02Å; V80-V198 HydrophobicContact CG2-CG1 4.39Å; V80-V198 WeakPolarHBondContact O-CG1 3.35Å; L84-V198 HydrophobicContact CD2-CG1 4.36Å; L84-V198 HydrophobicContact CD2-CG2 4.19Å; L84-V198 HydrophobicContact CG-CG1 4.2Å; Q194-V198 HydrophobicContact CG-CG2 4.2Å; Q194-V198 WeakPolarHBondContact O-CG2 3.41Å; Q194-V198 PolarHBondContact O-N 3.01Å; Y196-V198 VanDerWaalsContact C-N 3.29Å; Y196-V198 PolarHBondContact O-N 3.39Å; V198-I201 PolarHBondContact O-N 3.06Å; V198-A202 VanDerWaalsContact O-CB 3.27Å; V198-A202 WeakPolarHBondContact O-CB 3.38Å; V198-A202 PolarHBondContact O-N 3.26Å |
| 199 | H | 96.8 | Very high | 94.2 | Very high | 84 Ų | 84 | 62.9 Ų | 62.9 | 39% | 0.389 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 178.1 | -70.7 | -59.8 | 0 | 0 | 0 | 112.7 | Y76 V80 R195 Y196 R197 A202 A203 | Y76-H199 AromaticContact CZ-ND1 3.69Å; Y76-H199 PolarHBondContact OH-ND1 3.12Å; V80-H199 WeakPolarHBondContact CG2-ND1 3.41Å; R195-H199 PolarHBondContact O-CD2 2.78Å; Y196-H199 PolarHBondContact O-N 3.23Å; R197-H199 PolarHBondContact O-N 3.24Å; H199-A202 PolarHBondContact O-N 3.44Å; H199-A203 VanDerWaalsContact O-CB 3.26Å; H199-A203 WeakPolarHBondContact O-CB 3.45Å; H199-A203 PolarHBondContact O-N 3.24Å |
| 200 | A | 96.7 | Very high | 94.4 | Very high | 43 Ų | 43 | 70.4 Ų | 70.4 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y196 R197 A203 L204 | Y196-A200 PolarHBondContact O-N 3.32Å; R197-A200 PolarHBondContact O-N 3.32Å; A200-A203 PolarHBondContact O-N 3.42Å; A200-L204 WeakPolarHBondContact O-CB 3.49Å; A200-L204 PolarHBondContact O-N 3.03Å |
| 201 | I | 97.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 68.7 Ų | 68.7 | 11% | 0.108 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 177.1 | -63.5 | -62.1 | 0 | 0 | 0 | 111.2 | M182 A185 F186 R197 V198 L204 T205 | M182-I201 HydrophobicContact CE-CG2 3.81Å; A185-I201 HydrophobicContact CB-CD1 3.74Å; F186-I201 HydrophobicContact CD1-CD1 3.64Å; F186-I201 HydrophobicContact CD1-CG1 4.05Å; F186-I201 HydrophobicContact CE1-CB 4.4Å; F186-I201 HydrophobicContact CE1-CD1 3.73Å; F186-I201 HydrophobicContact CE1-CG1 3.8Å; F186-I201 HydrophobicContact CE1-CG2 3.73Å; F186-I201 HydrophobicContact CG-CD1 4.27Å; F186-I201 HydrophobicContact CZ-CD1 4.41Å; F186-I201 HydrophobicContact CZ-CG2 3.85Å; R197-I201 HydrophobicContact CG-CG1 4.45Å; R197-I201 WeakPolarHBondContact O-CG1 3.45Å; R197-I201 PolarHBondContact O-N 3.41Å; V198-I201 PolarHBondContact O-N 3.06Å; I201-L204 PolarHBondContact O-N 3.35Å; I201-T205 WeakPolarHBondContact O-CB 3.2Å; I201-T205 PolarHBondContact O-N 3.05Å; I201-T205 PolarHBondContact O-OG1 3.02Å |
| 202 | A | 98 | Very high | 95 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y76 V80 V198 H199 T205 A206 | Y76-A202 HydrophobicContact CD2-CB 3.7Å; Y76-A202 HydrophobicContact CE2-CB 3.75Å; Y76-A202 HydrophobicContact CG-CB 4.49Å; V80-A202 HydrophobicContact CG2-CB 3.51Å; V198-A202 VanDerWaalsContact O-CB 3.27Å; V198-A202 WeakPolarHBondContact O-CB 3.38Å; V198-A202 PolarHBondContact O-N 3.26Å; H199-A202 PolarHBondContact O-N 3.44Å; A202-T205 WeakPolarHBondContact O-CB 3.47Å; A202-T205 PolarHBondContact O-N 3.3Å; A202-A206 PolarHBondContact O-N 2.87Å |
| 203 | A | 98 | Very high | 95.1 | Very high | 44 Ų | 44 | 60 Ų | 60 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y76 H199 A200 T205 A206 T207 | Y76-A203 HydrophobicContact CD2-CB 4.45Å; Y76-A203 HydrophobicContact CE2-CB 4.17Å; H199-A203 VanDerWaalsContact O-CB 3.26Å; H199-A203 WeakPolarHBondContact O-CB 3.45Å; H199-A203 PolarHBondContact O-N 3.24Å; A200-A203 PolarHBondContact O-N 3.42Å; A203-T205 VanDerWaalsContact C-N 3.32Å; A203-T205 PolarHBondContact O-N 3.43Å; A203-A206 PolarHBondContact O-N 2.78Å; A203-T207 PolarHBondContact O-N 3.31Å; A203-T207 PolarHBondContact O-OG1 3.22Å |
| 204 | L | 98.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 64.3 Ų | 64.3 | 23% | 0.225 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 175.1 | 178.8 | 61.1 | 0 | 0 | 0 | 111.7 | M182 A185 A200 I201 A206 T207 L208 | M182-L204 HydrophobicContact SD-CB 4.48Å; M182-L204 HydrophobicContact SD-CD2 3.75Å; M182-L204 HydrophobicContact SD-CG 3.88Å; A185-L204 HydrophobicContact CB-CD2 3.4Å; A200-L204 WeakPolarHBondContact O-CB 3.49Å; A200-L204 PolarHBondContact O-N 3.03Å; I201-L204 PolarHBondContact O-N 3.35Å; L204-A206 PolarHBondContact O-N 3Å; L204-T207 PolarHBondContact O-N 3.1Å; L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CD2 4.46Å; L204-L208 HydrophobicContact CD1-CG 3.95Å; L204-L208 HydrophobicContact CG-CD1 3.92Å; L204-L208 HydrophobicContact CG-CG 4.29Å; L204-L208 WeakPolarHBondContact O-CB 3.1Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.43Å; L204-L208 PolarHBondContact O-N 3.11Å |
| 205 | T | 97.9 | Very high | 95.2 | Very high | 28 Ų | 28 | 62 Ų | 62 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.7 | -51.4 | 176.5 | -55.2 | 0 | 0 | 0 | 0 | 110.2 | T75 S79 I201 A202 A203 T207 L208 T209 | T75-T205 HydrophobicContact CG2-CG2 4.28Å; S79-T205 WeakPolarHBondContact OG-CG2 3.49Å; I201-T205 WeakPolarHBondContact O-CB 3.2Å; I201-T205 PolarHBondContact O-N 3.05Å; I201-T205 PolarHBondContact O-OG1 3.02Å; A202-T205 WeakPolarHBondContact O-CB 3.47Å; A202-T205 PolarHBondContact O-N 3.3Å; A203-T205 VanDerWaalsContact C-N 3.32Å; A203-T205 PolarHBondContact O-N 3.43Å; T205-T207 PolarHBondContact O-N 2.94Å; T205-L208 PolarHBondContact O-N 3.45Å; T205-T209 PolarHBondContact O-N 3.26Å; T205-T209 PolarHBondContact O-OG1 2.71Å |
| 206 | A | 97.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L72 A202 A203 L204 T209 Y210 | L72-A206 WeakPolarHBondContact CD2-O 3.31Å; A202-A206 PolarHBondContact O-N 2.87Å; A203-A206 PolarHBondContact O-N 2.78Å; L204-A206 PolarHBondContact O-N 3Å; A206-T209 PolarHBondContact O-N 3.09Å; A206-Y210 PolarHBondContact O-N 2.95Å |
| 207 | T | 98.1 | Very high | 95.5 | Very high | 87 Ų | 87 | 50.3 Ų | 50.3 | 53% | 0.534 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | A203 L204 T205 T209 Y210 A211 | A203-T207 PolarHBondContact O-N 3.31Å; A203-T207 PolarHBondContact O-OG1 3.22Å; L204-T207 PolarHBondContact O-N 3.1Å; T205-T207 PolarHBondContact O-N 2.94Å; T207-T209 VanDerWaalsContact C-N 3.35Å; T207-Y210 WeakPolarHBondContact O-CB 3.26Å; T207-Y210 PolarHBondContact O-N 3.04Å; T207-A211 WeakPolarHBondContact O-CB 3.4Å; T207-A211 PolarHBondContact O-N 2.89Å |
| 208 | L | 97.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 176.9 | -66.9 | 173.1 | 0 | 0 | 0 | 111.5 | A181 M182 L204 T205 Y210 A211 G212 F220 | A181-L208 HydrophobicContact CB-CD1 4.29Å; A181-L208 HydrophobicContact CB-CD2 4.4Å; M182-L208 HydrophobicContact CG-CD1 3.7Å; M182-L208 HydrophobicContact SD-CD1 3.97Å; L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CD2 4.46Å; L204-L208 HydrophobicContact CD1-CG 3.95Å; L204-L208 HydrophobicContact CG-CD1 3.92Å; L204-L208 HydrophobicContact CG-CG 4.29Å; L204-L208 WeakPolarHBondContact O-CB 3.1Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.43Å; L204-L208 PolarHBondContact O-N 3.11Å; T205-L208 PolarHBondContact O-N 3.45Å; L208-Y210 VanDerWaalsContact C-N 3.35Å; L208-A211 PolarHBondContact O-N 2.85Å; L208-G212 PolarHBondContact O-N 3.07Å; L208-F220 HydrophobicContact CB-CE2 3.59Å; L208-F220 HydrophobicContact CB-CZ 4.02Å; L208-F220 HydrophobicContact CD1-CD2 4.32Å; L208-F220 HydrophobicContact CD1-CE2 3.93Å; L208-F220 HydrophobicContact CG-CE2 4.34Å |
| 209 | T | 96.2 | Very high | 95.6 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 171.8 | -55.9 | 0 | 0 | 0 | 0 | 112 | L72 T205 A206 T207 G213 | L72-T209 HydrophobicContact CD2-CG2 4.24Å; T205-T209 PolarHBondContact O-N 3.26Å; T205-T209 PolarHBondContact O-OG1 2.71Å; A206-T209 PolarHBondContact O-N 3.09Å; T207-T209 VanDerWaalsContact C-N 3.35Å; T209-G213 WeakPolarHBondContact O-CA 3.39Å; T209-G213 PolarHBondContact O-N 2.99Å |
| 210 | Y | 95.6 | Very high | 95.6 | Very high | 174 Ų | 174 | 44.3 Ų | 44.3 | 68% | 0.682 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 173.2 | 173.7 | -107.9 | 0 | 0 | 0 | 111.8 | L72 A206 T207 L208 | L72-Y210 HydrophobicContact CD1-CD2 3.74Å; L72-Y210 HydrophobicContact CD1-CG 4.17Å; A206-Y210 PolarHBondContact O-N 2.95Å; T207-Y210 WeakPolarHBondContact O-CB 3.26Å; T207-Y210 PolarHBondContact O-N 3.04Å; L208-Y210 VanDerWaalsContact C-N 3.35Å |
| 211 | A | 94.7 | Very high | 95.6 | Very high | 72 Ų | 72 | 42.8 Ų | 42.8 | 60% | 0.595 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -73.1 | -43.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T207 L208 | T207-A211 WeakPolarHBondContact O-CB 3.4Å; T207-A211 PolarHBondContact O-N 2.89Å; L208-A211 PolarHBondContact O-N 2.85Å |
| 212 | G | 92.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 42 Ų | 42 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -114.1 | -7.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L208 K214 M215 T216 | L208-G212 PolarHBondContact O-N 3.07Å; G212-K214 VanDerWaalsContact C-N 3.3Å; G212-K214 PolarHBondContact O-N 2.94Å; G212-M215 PolarHBondContact O-N 3.24Å; G212-T216 PolarHBondContact O-N 2.61Å |
| 213 | G | 92.5 | Very high | 95.7 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -35.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T209 M215 G217 | T209-G213 WeakPolarHBondContact O-CA 3.39Å; T209-G213 PolarHBondContact O-N 2.99Å; G213-M215 VanDerWaalsContact C-N 3.25Å; G213-M215 PolarHBondContact O-N 3.37Å; G213-G217 WeakPolarHBondContact O-CA 3.12Å; G213-G217 PolarHBondContact O-N 2.98Å |
| 214 | K | 90.2 | Very high | 95.8 | Very high | 179 Ų | 179 | 40.4 Ų | 40.4 | 78% | 0.778 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -70 | -20.6 | 175.5 | -68.5 | -173.9 | 178.6 | -178.6 | 0 | 113.9 | G212 | G212-K214 VanDerWaalsContact C-N 3.3Å; G212-K214 PolarHBondContact O-N 2.94Å |
| 215 | M | 91.2 | Very high | 95.8 | Very high | 77 Ų | 77 | 38.3 Ų | 38.3 | 38% | 0.379 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -96.6 | -35.9 | -174.1 | -56.6 | 177.1 | 74 | 0 | 0 | 111.7 | P153 I154 T170 V174 G212 G213 | P153-M215 CarbonylContact C-O 3.31Å; P153-M215 VanDerWaalsContact C-O 3.31Å; P153-M215 CarbonylContact O-C 3.58Å; P153-M215 VanDerWaalsContact O-O 3.06Å; I154-M215 WeakPolarHBondContact CA-O 3.12Å; I154-M215 PolarHBondContact N-O 2.93Å; T170-M215 HydrophobicContact CG2-CE 3.22Å; V174-M215 HydrophobicContact CG2-CE 4.01Å; V174-M215 HydrophobicContact CG2-SD 3.85Å; G212-M215 PolarHBondContact O-N 3.24Å; G213-M215 VanDerWaalsContact C-N 3.25Å; G213-M215 PolarHBondContact O-N 3.37Å |
| 216 | T | 93.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -140 | -7 | -174.1 | 69 | 0 | 0 | 0 | 0 | 113.7 | A171 V174 E175 G212 A218 V243 Y244 | A171-T216 VanDerWaalsContact CA-CG2 3.5Å; A171-T216 HydrophobicContact CB-CG2 3.63Å; A171-T216 WeakPolarHBondContact O-CG2 3.46Å; V174-T216 HydrophobicContact CB-CG2 4.02Å; V174-T216 HydrophobicContact CG1-CG2 4.01Å; E175-T216 HydrophobicContact CG-CG2 4.02Å; E175-T216 WeakPolarHBondContact OE1-CB 3.42Å; E175-T216 PolarHBondContact OE1-OG1 3.45Å; G212-T216 PolarHBondContact O-N 2.61Å; T216-A218 PolarHBondContact OG1-N 3.45Å; T216-V243 HydrophobicContact CG2-CG1 4.48Å; T216-Y244 WeakPolarHBondContact O-CE1 3.44Å; T216-Y244 PolarHBondContact O-OH 2.84Å |
| 217 | G | 93.1 | Very high | 95.7 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | trans | 80.2 | -4 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G213 | G213-G217 WeakPolarHBondContact O-CA 3.12Å; G213-G217 PolarHBondContact O-N 2.98Å | ||
| 218 | A | 95.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 52.1 | 59 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T216 F220 | T216-A218 PolarHBondContact OG1-N 3.45Å; A218-F220 VanDerWaalsContact CA-CZ 3.4Å; A218-F220 HydrophobicContact CB-CE1 4.34Å; A218-F220 HydrophobicContact CB-CE2 3.69Å; A218-F220 HydrophobicContact CB-CZ 3.44Å; A218-F220 VanDerWaalsContact CB-CZ 3.44Å; A218-F220 WeakPolarHBondContact O-CE2 3.32Å |
| 219 | V | 95.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | trans | -91.2 | -46.4 | -165.9 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | E175 N221 L224 A225 Q229 Y244 | E175-V219 PolarHBondContact OE1-N 3.46Å; V219-N221 HydrophobicContact CG1-CB 4.41Å; V219-N221 WeakPolarHBondContact O-CB 3.41Å; V219-N221 PolarHBondContact O-N 3.47Å; V219-L224 HydrophobicContact CG1-CB 3.83Å; V219-L224 HydrophobicContact CG1-CD2 3.95Å; V219-L224 HydrophobicContact CG1-CG 3.77Å; V219-A225 HydrophobicContact CB-CB 4.49Å; V219-A225 HydrophobicContact CG1-CB 3.84Å; V219-Q229 HydrophobicContact CG2-CG 4.02Å; V219-Y244 HydrophobicContact CB-CD1 4.35Å; V219-Y244 HydrophobicContact CB-CE1 4.49Å; V219-Y244 HydrophobicContact CG2-CD1 4.41Å; V219-Y244 HydrophobicContact CG2-CE1 4.12Å | ||
| 220 | F | 96.7 | Very high | 95.5 | Very high | 14 Ų | 14 | 33 Ų | 33 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | trans | 50.7 | 22.1 | 176.7 | -35.2 | -54.3 | 0 | 0 | 0 | 114.6 | N92 V174 E175 A179 M182 L208 A218 | N92-F220 PolarHBondContact ND2-O 3.24Å; V174-F220 HydrophobicContact CG1-CE1 4.44Å; V174-F220 WeakPolarHBondContact O-CE1 3.29Å; E175-F220 HydrophobicContact CB-CD1 4.42Å; E175-F220 WeakPolarHBondContact O-CD1 3.36Å; E175-F220 VanDerWaalsContact OE2-CA 3.26Å; E175-F220 WeakPolarHBondContact OE2-CA 3.19Å; E175-F220 WeakPolarHBondContact OE2-CD1 3.21Å; E175-F220 PolarHBondContact OE2-N 2.88Å; A179-F220 HydrophobicContact CB-CB 4.17Å; M182-F220 HydrophobicContact CG-CD2 4.46Å; L208-F220 HydrophobicContact CB-CE2 3.59Å; L208-F220 HydrophobicContact CB-CZ 4.02Å; L208-F220 HydrophobicContact CD1-CD2 4.32Å; L208-F220 HydrophobicContact CD1-CE2 3.93Å; L208-F220 HydrophobicContact CG-CE2 4.34Å; A218-F220 VanDerWaalsContact CA-CZ 3.4Å; A218-F220 HydrophobicContact CB-CE1 4.34Å; A218-F220 HydrophobicContact CB-CE2 3.69Å; A218-F220 HydrophobicContact CB-CZ 3.44Å; A218-F220 VanDerWaalsContact CB-CZ 3.44Å; A218-F220 WeakPolarHBondContact O-CE2 3.32Å | ||
| 221 | N | 98.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 5% | 0.053 | 17% | 0.166 | C | C | . | . | trans | -147.7 | 108.1 | -172 | 178.1 | -21.1 | 0 | 0 | 0 | 109.4 | G91 N92 P93 V219 A223 L224 A225 | G91-N221 PolarHBondContact O-ND2 2.93Å; N92-N221 VanDerWaalsContact CG-CG 3.47Å; P93-N221 WeakPolarHBondContact CD-OD1 3.44Å; V219-N221 HydrophobicContact CG1-CB 4.41Å; V219-N221 WeakPolarHBondContact O-CB 3.41Å; V219-N221 PolarHBondContact O-N 3.47Å; N221-A223 VanDerWaalsContact C-N 3.31Å; N221-A223 PolarHBondContact O-N 3.25Å; N221-A223 PolarHBondContact OD1-N 3.38Å; N221-L224 HydrophobicContact CB-CB 3.81Å; N221-L224 PolarHBondContact O-N 2.89Å; N221-L224 PolarHBondContact OD1-N 3.25Å; N221-A225 WeakPolarHBondContact O-CB 3.46Å; N221-A225 PolarHBondContact O-N 3.4Å | ||
| 222 | P | 98.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.5 | -36.8 | -176.5 | -29.7 | 36.4 | 0 | 0 | 0 | 115 | N92 P93 C94 F118 L226 W245 | N92-P222 WeakPolarHBondContact OD1-CD 3.2Å; P93-P222 HydrophobicContact CB-CB 4.17Å; P93-P222 HydrophobicContact CB-CG 4.21Å; P93-P222 HydrophobicContact CG-CB 4.02Å; P93-P222 HydrophobicContact CG-CG 4.48Å; C94-P222 VanDerWaalsContact SG-CD 3.51Å; F118-P222 HydrophobicContact CE1-CB 4.41Å; F118-P222 HydrophobicContact CZ-CB 4.18Å; P222-L226 PolarHBondContact O-N 3.49Å; P222-L226 VanDerWaalsContact O-N 3.1Å; P222-W245 HydrophobicContact CB-CB 4.48Å; P222-W245 VanDerWaalsContact CB-CD1 3.47Å; P222-W245 HydrophobicContact CB-CG 3.97Å; P222-W245 PolarHBondContact O-NE1 2.95Å; P222-W245 VanDerWaalsContact O-NE1 3.09Å |
| 223 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.1 | -44 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T47 P93 Q117 F118 A121 N221 A225 L226 S227 | T47-A223 HydrophobicContact CG2-CB 4.45Å; P93-A223 HydrophobicContact CG-CB 3.83Å; Q117-A223 HydrophobicContact CB-CB 3.84Å; F118-A223 HydrophobicContact CD1-CB 4.2Å; F118-A223 HydrophobicContact CE1-CB 4.31Å; A121-A223 WeakPolarHBondContact CB-O 3.31Å; N221-A223 VanDerWaalsContact C-N 3.31Å; N221-A223 PolarHBondContact O-N 3.25Å; N221-A223 PolarHBondContact OD1-N 3.38Å; A223-A225 VanDerWaalsContact C-N 3.29Å; A223-A225 PolarHBondContact O-N 2.82Å; A223-L226 WeakPolarHBondContact O-CB 3.2Å; A223-L226 PolarHBondContact O-N 3.3Å; A223-S227 PolarHBondContact O-N 2.86Å |
| 224 | L | 98.5 | Very high | 95.1 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 176.1 | -177 | 56.8 | 0 | 0 | 0 | 111.8 | L50 C51 N54 V219 N221 S227 T228 | L50-L224 HydrophobicContact CD2-CD2 4.49Å; L50-L224 HydrophobicContact CG-CD1 4.26Å; L50-L224 HydrophobicContact CG-CD2 4.41Å; C51-L224 HydrophobicContact CB-CD1 4.46Å; N54-L224 HydrophobicContact CB-CD1 3.74Å; V219-L224 HydrophobicContact CG1-CB 3.83Å; V219-L224 HydrophobicContact CG1-CD2 3.95Å; V219-L224 HydrophobicContact CG1-CG 3.77Å; N221-L224 HydrophobicContact CB-CB 3.81Å; N221-L224 PolarHBondContact O-N 2.89Å; N221-L224 PolarHBondContact OD1-N 3.25Å; L224-S227 PolarHBondContact O-N 3.48Å; L224-T228 HydrophobicContact CD1-CG2 4.04Å; L224-T228 PolarHBondContact O-N 3.21Å; L224-T228 PolarHBondContact O-OG1 3.42Å |
| 225 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V219 N221 A223 S227 T228 Q229 F230 Y244 | V219-A225 HydrophobicContact CB-CB 4.49Å; V219-A225 HydrophobicContact CG1-CB 3.84Å; N221-A225 WeakPolarHBondContact O-CB 3.46Å; N221-A225 PolarHBondContact O-N 3.4Å; A223-A225 VanDerWaalsContact C-N 3.29Å; A223-A225 PolarHBondContact O-N 2.82Å; A225-S227 VanDerWaalsContact C-N 3.26Å; A225-S227 PolarHBondContact O-N 3.24Å; A225-T228 PolarHBondContact O-N 2.89Å; A225-Q229 WeakPolarHBondContact O-CA 3.35Å; A225-Q229 WeakPolarHBondContact O-CB 3.35Å; A225-Q229 PolarHBondContact O-N 3.43Å; A225-F230 HydrophobicContact CB-CD2 4.44Å; A225-F230 HydrophobicContact CB-CE2 4.18Å; A225-F230 WeakPolarHBondContact O-CD2 3.39Å; A225-F230 PolarHBondContact O-N 3.22Å; A225-Y244 VanDerWaalsContact CB-CB 3.49Å; A225-Y244 HydrophobicContact CB-CD1 4.09Å; A225-Y244 HydrophobicContact CB-CG 3.83Å |
| 226 | L | 98.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 22 Ų | 22 | 19% | 0.194 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 175.1 | -177 | 66.7 | 0 | 0 | 0 | 111.6 | F118 A121 P222 A223 F230 W245 | F118-L226 HydrophobicContact CB-CD2 4.33Å; F118-L226 HydrophobicContact CD1-CB 4.27Å; F118-L226 HydrophobicContact CD1-CD2 3.56Å; F118-L226 HydrophobicContact CE1-CB 4.44Å; F118-L226 HydrophobicContact CE1-CD2 4.32Å; F118-L226 HydrophobicContact CG-CD2 4.37Å; A121-L226 HydrophobicContact CB-CB 4.46Å; P222-L226 PolarHBondContact O-N 3.49Å; P222-L226 VanDerWaalsContact O-N 3.1Å; A223-L226 WeakPolarHBondContact O-CB 3.2Å; A223-L226 PolarHBondContact O-N 3.3Å; L226-F230 HydrophobicContact CD1-CB 4.03Å; L226-F230 HydrophobicContact CD1-CD1 3.92Å; L226-F230 HydrophobicContact CD1-CG 3.92Å; L226-W245 HydrophobicContact CD1-CZ2 4.3Å |
| 227 | S | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.4 | -48.6 | 177.6 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | L55 A121 R125 A223 L224 A225 | L55-S227 WeakPolarHBondContact CD1-OG 3.2Å; A121-S227 PolarHBondContact O-OG 2.63Å; R125-S227 PolarHBondContact NH1-O 2.82Å; A223-S227 PolarHBondContact O-N 2.86Å; L224-S227 PolarHBondContact O-N 3.48Å; A225-S227 VanDerWaalsContact C-N 3.26Å; A225-S227 PolarHBondContact O-N 3.24Å |
| 228 | T | 96.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -92.5 | -40.8 | -165.4 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | N54 L55 R58 L224 A225 C232 | N54-T228 HydrophobicContact CB-CG2 4.26Å; L55-T228 HydrophobicContact CD2-CG2 3.96Å; L55-T228 HydrophobicContact CG-CG2 4.11Å; R58-T228 PolarHBondContact NH1-O 3.04Å; L224-T228 HydrophobicContact CD1-CG2 4.04Å; L224-T228 PolarHBondContact O-N 3.21Å; L224-T228 PolarHBondContact O-OG1 3.42Å; A225-T228 PolarHBondContact O-N 2.89Å; T228-C232 PolarHBondContact O-SG 3.33Å |
| 229 | Q | 95.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -39.7 | -167.6 | -54.5 | -56.8 | -23.3 | 0 | 0 | 113.8 | V219 A225 S231 C232 Y244 | V219-Q229 HydrophobicContact CG2-CG 4.02Å; A225-Q229 WeakPolarHBondContact O-CA 3.35Å; A225-Q229 WeakPolarHBondContact O-CB 3.35Å; A225-Q229 PolarHBondContact O-N 3.43Å; Q229-S231 PolarHBondContact O-N 3.03Å; Q229-C232 WeakPolarHBondContact O-CB 3.31Å; Q229-C232 PolarHBondContact O-N 3.49Å; Q229-Y244 HydrophobicContact CB-CD2 4.04Å; Q229-Y244 HydrophobicContact CB-CE2 3.64Å; Q229-Y244 HydrophobicContact CG-CD1 4.46Å; Q229-Y244 HydrophobicContact CG-CD2 4.38Å; Q229-Y244 HydrophobicContact CG-CE1 3.97Å; Q229-Y244 HydrophobicContact CG-CE2 3.87Å |
| 230 | F | 95.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.8 | -163.8 | -90.8 | -117.7 | 0 | 0 | 0 | 116 | A225 L226 F237 Y240 Y244 W245 | A225-F230 HydrophobicContact CB-CD2 4.44Å; A225-F230 HydrophobicContact CB-CE2 4.18Å; A225-F230 WeakPolarHBondContact O-CD2 3.39Å; A225-F230 PolarHBondContact O-N 3.22Å; L226-F230 HydrophobicContact CD1-CB 4.03Å; L226-F230 HydrophobicContact CD1-CD1 3.92Å; L226-F230 HydrophobicContact CD1-CG 3.92Å; F230-F237 AromaticContact CD1-CD2 3.7Å; F230-F237 HydrophobicContact CD1-CD2 3.7Å; F230-F237 AromaticContact CD1-CE2 3.51Å; F230-F237 HydrophobicContact CD1-CE2 3.51Å; F230-F237 HydrophobicContact CD1-CZ 4.43Å; F230-F237 AromaticContact CE1-CD2 3.92Å; F230-F237 HydrophobicContact CE1-CD2 3.92Å; F230-F237 AromaticContact CE1-CE2 3.58Å; F230-F237 HydrophobicContact CE1-CE2 3.58Å; F230-F237 HydrophobicContact CE1-CZ 4.07Å; F230-Y240 HydrophobicContact CG-CD2 4.36Å; F230-Y244 HydrophobicContact CE2-CD2 4.26Å; F230-W245 HydrophobicContact CE1-CZ2 4.21Å; F230-W245 AromaticContact CE2-CD1 3.92Å; F230-W245 AromaticContact CE2-NE1 3.58Å; F230-W245 AromaticContact CZ-CD1 3.7Å; F230-W245 HydrophobicContact CZ-CD2 4.11Å; F230-W245 AromaticContact CZ-CE2 3.62Å; F230-W245 HydrophobicContact CZ-CG 4.19Å; F230-W245 HydrophobicContact CZ-CZ2 4.15Å; F230-W245 AromaticContact CZ-NE1 3.36Å |
| 231 | S | 92.3 | Very high | 95.2 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 46% | 0.462 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 6.1 | 176.2 | -39.4 | 0 | 0 | 0 | 0 | 113.3 | R125 Q229 | R125-S231 PolarHBondContact NE-OG 3.01Å; R125-S231 PolarHBondContact NH1-OG 2.72Å; R125-S231 PolarHBondContact NH2-OG 3.38Å; Q229-S231 PolarHBondContact O-N 3.03Å |
| 232 | C | 93.7 | Very high | 95 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -74.4 | 147 | 168.6 | -59.4 | 0 | 0 | 0 | 0 | 110 | R58 C150 T228 Q229 Y240 | R58-C232 VanDerWaalsContact CZ-SG 3.59Å; R58-C232 PolarHBondContact NH1-SG 2.89Å; R58-C232 PolarHBondContact NH2-SG 3.46Å; R58-C232 VanDerWaalsContact NH2-SG 3.39Å; C150-C232 HydrophobicContact CB-CB 4.07Å; C150-C232 WeakPolarHBondContact CB-SG 3.38Å; C150-C232 VanDerWaalsContact O-CA 3.29Å; C150-C232 WeakPolarHBondContact O-CA 3.27Å; C150-C232 WeakPolarHBondContact O-CB 3.42Å; C150-C232 WeakPolarHBondContact SG-CA 3.43Å; C150-C232 WeakPolarHBondContact SG-CB 3.5Å; C150-C232 CovalentContact SG-SG 2.05Å; C150-C232 PolarHBondContact SG-SG 3.45Å; T228-C232 PolarHBondContact O-SG 3.33Å; Q229-C232 WeakPolarHBondContact O-CB 3.31Å; Q229-C232 PolarHBondContact O-N 3.49Å; C232-Y240 PolarHBondContact O-OH 3.21Å |
| 233 | S | 91.4 | Very high | 94.9 | Very high | 72 Ų | 72 | 36.8 Ų | 36.8 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -75 | 157.8 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | C150 S152 | C150-S233 PolarHBondContact O-N 3.35Å; C150-S233 PolarHBondContact O-OG 2.98Å; S152-S233 WeakPolarHBondContact CB-O 3.46Å; S152-S233 PolarHBondContact N-O 3.41Å |
| 234 | G | 88.6 | Confident | 94.9 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 60% | 0.598 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 125 | -26.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 235 | H | 90.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 17% | 0.167 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -140.5 | 161 | -177.5 | -73.1 | -93.8 | 0 | 0 | 0 | 111.9 | I154 T156 D239 Y240 | I154-H235 WeakPolarHBondContact CB-NE2 3.4Å; I154-H235 WeakPolarHBondContact CG2-NE2 3.09Å; I154-H235 PolarHBondContact O-NE2 3.25Å; T156-H235 WeakPolarHBondContact CG2-CE1 3.44Å; H235-D239 HydrophobicContact CB-CB 3.95Å; H235-Y240 HydrophobicContact CB-CD1 4.15Å; H235-Y240 HydrophobicContact CB-CE1 3.65Å; H235-Y240 HydrophobicContact CB-CE2 4.5Å |
| 236 | S | 92 | Very high | 94.9 | Very high | 57 Ų | 57 | 44 Ų | 44 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | trans | -75.6 | 162.7 | 176.2 | 76.5 | 0 | 0 | 0 | 0 | 111.6 | L238 D239 Y240 | S236-L238 PolarHBondContact O-N 3.01Å; S236-L238 PolarHBondContact OG-N 3Å; S236-D239 VanDerWaalsContact CB-OD2 3.3Å; S236-D239 WeakPolarHBondContact CB-OD2 3.27Å; S236-D239 PolarHBondContact N-OD2 3.37Å; S236-D239 WeakPolarHBondContact O-CB 3.13Å; S236-D239 PolarHBondContact O-N 3.31Å; S236-D239 PolarHBondContact OG-N 3.39Å; S236-D239 PolarHBondContact OG-OD2 3.44Å; S236-Y240 PolarHBondContact O-N 3.22Å | ||
| 237 | F | 94 | Very high | 94.9 | Very high | 118 Ų | 118 | 42.5 Ų | 42.5 | 52% | 0.518 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.6 | -36.7 | 173.2 | -180 | -94.7 | 0 | 0 | 0 | 112.5 | F230 Y240 C241 | F230-F237 AromaticContact CD1-CD2 3.7Å; F230-F237 HydrophobicContact CD1-CD2 3.7Å; F230-F237 AromaticContact CD1-CE2 3.51Å; F230-F237 HydrophobicContact CD1-CE2 3.51Å; F230-F237 HydrophobicContact CD1-CZ 4.43Å; F230-F237 AromaticContact CE1-CD2 3.92Å; F230-F237 HydrophobicContact CE1-CD2 3.92Å; F230-F237 AromaticContact CE1-CE2 3.58Å; F230-F237 HydrophobicContact CE1-CE2 3.58Å; F230-F237 HydrophobicContact CE1-CZ 4.07Å; F237-Y240 PolarHBondContact O-N 2.05Å; F237-C241 WeakPolarHBondContact CE1-SG 3.36Å; F237-C241 PolarHBondContact O-N 3.39Å; F237-C241 PolarHBondContact O-SG 3.41Å; F237-C241 VanDerWaalsContact O-SG 3.37Å |
| 238 | L | 94.9 | Very high | 95 | Very high | 129 Ų | 129 | 42.5 Ų | 42.5 | 68% | 0.675 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -70.5 | -36.7 | 179.7 | -68.1 | -179.8 | 0 | 0 | 0 | 112.3 | S236 Y240 C241 L242 | S236-L238 PolarHBondContact O-N 3.01Å; S236-L238 PolarHBondContact OG-N 3Å; L238-Y240 VanDerWaalsContact C-N 3.32Å; L238-Y240 PolarHBondContact O-N 3.05Å; L238-C241 WeakPolarHBondContact O-CB 3.48Å; L238-C241 PolarHBondContact O-N 3.46Å; L238-L242 PolarHBondContact O-N 3.01Å |
| 239 | D | 93.8 | Very high | 95.1 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 174 | -62.3 | -42.3 | 0 | 0 | 0 | 110.6 | L168 H235 S236 L242 V243 | L168-D239 HydrophobicContact CD1-CB 3.79Å; H235-D239 HydrophobicContact CB-CB 3.95Å; S236-D239 VanDerWaalsContact CB-OD2 3.3Å; S236-D239 WeakPolarHBondContact CB-OD2 3.27Å; S236-D239 PolarHBondContact N-OD2 3.37Å; S236-D239 WeakPolarHBondContact O-CB 3.13Å; S236-D239 PolarHBondContact O-N 3.31Å; S236-D239 PolarHBondContact OG-N 3.39Å; S236-D239 PolarHBondContact OG-OD2 3.44Å; D239-L242 PolarHBondContact O-N 2.69Å; D239-V243 PolarHBondContact O-N 2.78Å |
| 240 | Y | 95.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 174.3 | -67 | -32.3 | 0 | 0 | 0 | 113.1 | S152 I154 F230 C232 H235 S236 F237 L238 L242 V243 Y244 | S152-Y240 WeakPolarHBondContact CB-OH 3.38Å; I154-Y240 HydrophobicContact CD1-CD1 4.14Å; I154-Y240 HydrophobicContact CD1-CE1 4.17Å; F230-Y240 HydrophobicContact CG-CD2 4.36Å; C232-Y240 PolarHBondContact O-OH 3.21Å; H235-Y240 HydrophobicContact CB-CD1 4.15Å; H235-Y240 HydrophobicContact CB-CE1 3.65Å; H235-Y240 HydrophobicContact CB-CE2 4.5Å; S236-Y240 PolarHBondContact O-N 3.22Å; F237-Y240 PolarHBondContact O-N 2.05Å; L238-Y240 VanDerWaalsContact C-N 3.32Å; L238-Y240 PolarHBondContact O-N 3.05Å; Y240-L242 VanDerWaalsContact C-N 3.29Å; Y240-L242 PolarHBondContact O-N 2.95Å; Y240-V243 PolarHBondContact O-N 2.77Å; Y240-Y244 AromaticContact CD1-CD2 3.95Å; Y240-Y244 HydrophobicContact CD1-CD2 3.95Å; Y240-Y244 AromaticContact CD1-CE2 3.67Å; Y240-Y244 HydrophobicContact CD1-CE2 3.67Å; Y240-Y244 HydrophobicContact CE1-CE2 4.19Å; Y240-Y244 HydrophobicContact CG-CD2 4.35Å; Y240-Y244 HydrophobicContact CG-CE2 4.46Å; Y240-Y244 WeakPolarHBondContact O-CB 3.17Å; Y240-Y244 PolarHBondContact O-N 2.68Å |
| 241 | C | 96.9 | Very high | 95.4 | Very high | 24 Ų | 24 | 47 Ų | 47 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -59.5 | -41 | 172.5 | -76.3 | 0 | 0 | 0 | 0 | 111.7 | F237 L238 W245 L246 | F237-C241 WeakPolarHBondContact CE1-SG 3.36Å; F237-C241 PolarHBondContact O-N 3.39Å; F237-C241 PolarHBondContact O-SG 3.41Å; F237-C241 VanDerWaalsContact O-SG 3.37Å; L238-C241 WeakPolarHBondContact O-CB 3.48Å; L238-C241 PolarHBondContact O-N 3.46Å; C241-W245 WeakPolarHBondContact O-CA 3.33Å; C241-W245 VanDerWaalsContact O-CB 3.28Å; C241-W245 WeakPolarHBondContact O-CB 3.28Å; C241-W245 PolarHBondContact O-N 3.11Å; C241-W245 VanDerWaalsContact O-N 3.11Å; C241-L246 PolarHBondContact O-N 3.02Å |
| 242 | L | 96.2 | Very high | 95.6 | Very high | 68 Ų | 68 | 44 Ų | 44 | 36% | 0.356 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -63.5 | -51.5 | 177.4 | -177.5 | 152.2 | 0 | 0 | 0 | 111.2 | L168 A172 L238 D239 Y240 A247 | L168-L242 HydrophobicContact CD2-CD1 4.34Å; L168-L242 HydrophobicContact CD2-CD2 4.24Å; L168-L242 HydrophobicContact CG-CD2 4.1Å; A172-L242 HydrophobicContact CB-CD2 3.7Å; L238-L242 PolarHBondContact O-N 3.01Å; D239-L242 PolarHBondContact O-N 2.69Å; Y240-L242 VanDerWaalsContact C-N 3.29Å; Y240-L242 PolarHBondContact O-N 2.95Å; L242-A247 PolarHBondContact O-N 3.28Å |
| 243 | V | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -75.4 | -42.4 | -173.4 | 171.5 | 0 | 0 | 0 | 0 | 112.7 | I154 L168 A171 A172 E175 T216 D239 Y240 A247 P248 | I154-V243 HydrophobicContact CD1-CB 4.15Å; I154-V243 HydrophobicContact CD1-CG1 3.91Å; I154-V243 HydrophobicContact CD1-CG2 4.09Å; L168-V243 HydrophobicContact CD1-CG2 3.4Å; L168-V243 VanDerWaalsContact CD1-CG2 3.4Å; L168-V243 HydrophobicContact CG-CG2 4.01Å; A171-V243 HydrophobicContact CB-CG1 3.88Å; A171-V243 HydrophobicContact CB-CG2 3.98Å; A172-V243 HydrophobicContact CB-CG2 4.3Å; E175-V243 HydrophobicContact CB-CG1 4.5Å; E175-V243 WeakPolarHBondContact CB-O 3.49Å; E175-V243 HydrophobicContact CG-CG1 3.81Å; E175-V243 WeakPolarHBondContact CG-O 3.29Å; T216-V243 HydrophobicContact CG2-CG1 4.48Å; D239-V243 PolarHBondContact O-N 2.78Å; Y240-V243 PolarHBondContact O-N 2.77Å; V243-A247 WeakPolarHBondContact O-CB 3.44Å; V243-P248 WeakPolarHBondContact O-CD 3.47Å |
| 244 | Y | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -104.8 | -15.7 | -169 | -65.2 | -62.1 | 0 | 0 | 0 | 114.5 | I154 E175 T216 V219 A225 Q229 F230 Y240 P248 | I154-Y244 HydrophobicContact CD1-CE2 3.81Å; E175-Y244 HydrophobicContact CG-CD1 4.07Å; E175-Y244 HydrophobicContact CG-CE1 4.18Å; T216-Y244 WeakPolarHBondContact O-CE1 3.44Å; T216-Y244 PolarHBondContact O-OH 2.84Å; V219-Y244 HydrophobicContact CB-CD1 4.35Å; V219-Y244 HydrophobicContact CB-CE1 4.49Å; V219-Y244 HydrophobicContact CG2-CD1 4.41Å; V219-Y244 HydrophobicContact CG2-CE1 4.12Å; A225-Y244 VanDerWaalsContact CB-CB 3.49Å; A225-Y244 HydrophobicContact CB-CD1 4.09Å; A225-Y244 HydrophobicContact CB-CG 3.83Å; Q229-Y244 HydrophobicContact CB-CD2 4.04Å; Q229-Y244 HydrophobicContact CB-CE2 3.64Å; Q229-Y244 HydrophobicContact CG-CD1 4.46Å; Q229-Y244 HydrophobicContact CG-CD2 4.38Å; Q229-Y244 HydrophobicContact CG-CE1 3.97Å; Q229-Y244 HydrophobicContact CG-CE2 3.87Å; F230-Y244 HydrophobicContact CE2-CD2 4.26Å; Y240-Y244 AromaticContact CD1-CD2 3.95Å; Y240-Y244 HydrophobicContact CD1-CD2 3.95Å; Y240-Y244 AromaticContact CD1-CE2 3.67Å; Y240-Y244 HydrophobicContact CD1-CE2 3.67Å; Y240-Y244 HydrophobicContact CE1-CE2 4.19Å; Y240-Y244 HydrophobicContact CG-CD2 4.35Å; Y240-Y244 HydrophobicContact CG-CE2 4.46Å; Y240-Y244 WeakPolarHBondContact O-CB 3.17Å; Y240-Y244 PolarHBondContact O-N 2.68Å; Y244-P248 WeakPolarHBondContact O-CG 3.21Å |
| 245 | W | 98.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -108.6 | -61.9 | 175.3 | -65.6 | 7.3 | 0 | 0 | 0 | 110.7 | F118 P222 L226 F230 C241 L249 | F118-W245 HydrophobicContact CD1-CZ2 4.42Å; F118-W245 AromaticContact CE1-CE2 3.96Å; F118-W245 HydrophobicContact CE1-CH2 4.35Å; F118-W245 AromaticContact CE1-CZ2 3.63Å; F118-W245 HydrophobicContact CE1-CZ2 3.63Å; F118-W245 HydrophobicContact CZ-CH2 4.48Å; F118-W245 HydrophobicContact CZ-CZ2 4.06Å; P222-W245 HydrophobicContact CB-CB 4.48Å; P222-W245 VanDerWaalsContact CB-CD1 3.47Å; P222-W245 HydrophobicContact CB-CG 3.97Å; P222-W245 PolarHBondContact O-NE1 2.95Å; P222-W245 VanDerWaalsContact O-NE1 3.09Å; L226-W245 HydrophobicContact CD1-CZ2 4.3Å; F230-W245 HydrophobicContact CE1-CZ2 4.21Å; F230-W245 AromaticContact CE2-CD1 3.92Å; F230-W245 AromaticContact CE2-NE1 3.58Å; F230-W245 AromaticContact CZ-CD1 3.7Å; F230-W245 HydrophobicContact CZ-CD2 4.11Å; F230-W245 AromaticContact CZ-CE2 3.62Å; F230-W245 HydrophobicContact CZ-CG 4.19Å; F230-W245 HydrophobicContact CZ-CZ2 4.15Å; F230-W245 AromaticContact CZ-NE1 3.36Å; C241-W245 WeakPolarHBondContact O-CA 3.33Å; C241-W245 VanDerWaalsContact O-CB 3.28Å; C241-W245 WeakPolarHBondContact O-CB 3.28Å; C241-W245 PolarHBondContact O-N 3.11Å; C241-W245 VanDerWaalsContact O-N 3.11Å; W245-L249 WeakPolarHBondContact O-CB 3.26Å; W245-L249 WeakPolarHBondContact O-CD1 3.34Å; W245-L249 WeakPolarHBondContact O-CG 3.36Å; W245-L249 PolarHBondContact O-N 2.82Å |
| 246 | L | 98.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 41.6 Ų | 41.6 | 48% | 0.482 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -64.4 | -49.2 | -174.5 | -178.7 | 62.1 | 0 | 0 | 0 | 112.2 | C241 L249 L250 | C241-L246 PolarHBondContact O-N 3.02Å; L246-L249 WeakPolarHBondContact O-CB 3.2Å; L246-L249 PolarHBondContact O-N 3.42Å; L246-L250 HydrophobicContact CD1-CD1 4.19Å; L246-L250 HydrophobicContact CD1-CG 4.16Å; L246-L250 HydrophobicContact CG-CD1 4Å; L246-L250 HydrophobicContact CG-CG 4.38Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 2.88Å |
| 247 | A | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | A172 E175 L176 L242 V243 L249 L250 G251 | A172-A247 HydrophobicContact CB-CB 4Å; A172-A247 VanDerWaalsContact O-CB 3.26Å; A172-A247 WeakPolarHBondContact O-CB 3.43Å; E175-A247 HydrophobicContact CB-CB 4.25Å; L176-A247 WeakPolarHBondContact CA-O 3.43Å; L176-A247 HydrophobicContact CB-CB 4.16Å; L242-A247 PolarHBondContact O-N 3.28Å; V243-A247 WeakPolarHBondContact O-CB 3.44Å; A247-L249 VanDerWaalsContact C-N 3.31Å; A247-L249 PolarHBondContact O-N 3.43Å; A247-L250 PolarHBondContact O-N 3.19Å; A247-G251 PolarHBondContact O-N 2.86Å |
| 248 | P | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.3 | -36.9 | 173.1 | -31.8 | 39 | 0 | 0 | 0 | 114 | E175 A179 V243 Y244 G251 M252 | E175-P248 HydrophobicContact CB-CG 4Å; A179-P248 HydrophobicContact CB-CB 3.9Å; A179-P248 VanDerWaalsContact CB-O 3.32Å; A179-P248 WeakPolarHBondContact CB-O 3.47Å; V243-P248 WeakPolarHBondContact O-CD 3.47Å; Y244-P248 WeakPolarHBondContact O-CG 3.21Å; P248-G251 PolarHBondContact O-N 3.37Å; P248-M252 WeakPolarHBondContact O-CB 3.19Å; P248-M252 PolarHBondContact O-N 3.38Å |
| 249 | L | 98.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 35.7 Ų | 35.7 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 174.8 | -71.2 | 171.7 | 0 | 0 | 0 | 111.5 | L97 W245 L246 A247 M252 M253 | L97-L249 HydrophobicContact CD1-CD2 3.28Å; W245-L249 WeakPolarHBondContact O-CB 3.26Å; W245-L249 WeakPolarHBondContact O-CD1 3.34Å; W245-L249 WeakPolarHBondContact O-CG 3.36Å; W245-L249 PolarHBondContact O-N 2.82Å; L246-L249 WeakPolarHBondContact O-CB 3.2Å; L246-L249 PolarHBondContact O-N 3.42Å; A247-L249 VanDerWaalsContact C-N 3.31Å; A247-L249 PolarHBondContact O-N 3.43Å; L249-M252 PolarHBondContact O-N 3.25Å; L249-M253 WeakPolarHBondContact O-CB 3.2Å; L249-M253 VanDerWaalsContact O-CG 3.31Å; L249-M253 WeakPolarHBondContact O-CG 3.35Å; L249-M253 PolarHBondContact O-N 3.45Å |
| 250 | L | 98.4 | Very high | 96.2 | Very high | 84 Ų | 84 | 34.9 Ų | 34.9 | 44% | 0.44 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 176.3 | -68.6 | 174.9 | 0 | 0 | 0 | 111.2 | L176 L246 A247 M252 M253 C254 | L176-L250 HydrophobicContact CD1-CB 3.94Å; L246-L250 HydrophobicContact CD1-CD1 4.19Å; L246-L250 HydrophobicContact CD1-CG 4.16Å; L246-L250 HydrophobicContact CG-CD1 4Å; L246-L250 HydrophobicContact CG-CG 4.38Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 2.88Å; A247-L250 PolarHBondContact O-N 3.19Å; L250-M252 PolarHBondContact O-N 3.39Å; L250-M253 PolarHBondContact O-N 3.46Å; L250-C254 WeakPolarHBondContact O-CB 3.29Å; L250-C254 PolarHBondContact O-N 3.18Å; L250-C254 PolarHBondContact O-SG 3.26Å |
| 251 | G | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L176 F180 A247 P248 C254 S255 | L176-G251 WeakPolarHBondContact O-CA 3.35Å; F180-G251 WeakPolarHBondContact CA-O 3.38Å; F180-G251 WeakPolarHBondContact CB-O 3.45Å; A247-G251 PolarHBondContact O-N 2.86Å; P248-G251 PolarHBondContact O-N 3.37Å; G251-C254 PolarHBondContact O-N 2.99Å; G251-S255 PolarHBondContact O-N 2.96Å; G251-S255 VanDerWaalsContact O-N 3.14Å |
| 252 | M | 98 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 174.5 | 179.1 | -76.9 | -67.3 | 0 | 0 | 111.4 | C94 L97 E98 Q183 P248 L249 L250 C254 S255 V256 | C94-M252 HydrophobicContact CB-CB 4.16Å; C94-M252 HydrophobicContact CB-CG 4.13Å; C94-M252 WeakPolarHBondContact O-CE 3.31Å; L97-M252 HydrophobicContact CB-CE 4.17Å; E98-M252 HydrophobicContact CB-CE 4.45Å; E98-M252 HydrophobicContact CB-CG 4.47Å; E98-M252 HydrophobicContact CB-SD 3.69Å; E98-M252 HydrophobicContact CG-SD 4.11Å; Q183-M252 HydrophobicContact CB-CB 4.41Å; Q183-M252 HydrophobicContact CB-CG 4.15Å; Q183-M252 HydrophobicContact CG-CG 3.83Å; P248-M252 WeakPolarHBondContact O-CB 3.19Å; P248-M252 PolarHBondContact O-N 3.38Å; L249-M252 PolarHBondContact O-N 3.25Å; L250-M252 PolarHBondContact O-N 3.39Å; M252-C254 PolarHBondContact O-N 2.92Å; M252-S255 WeakPolarHBondContact O-CB 3.33Å; M252-S255 PolarHBondContact O-N 3.23Å; M252-V256 WeakPolarHBondContact O-CG2 3.49Å; M252-V256 PolarHBondContact O-N 2.81Å; M252-V256 HydrophobicContact SD-CG2 3.8Å |
| 253 | M | 97.3 | Very high | 93.5 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 28% | 0.281 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -40.5 | -179.7 | -72.2 | -56.2 | -60.6 | 0 | 0 | 112.5 | Y101 L249 L250 S255 V256 L257 | Y101-M253 HydrophobicContact CD2-CE 4.42Å; Y101-M253 HydrophobicContact CE2-CE 4.49Å; L249-M253 WeakPolarHBondContact O-CB 3.2Å; L249-M253 VanDerWaalsContact O-CG 3.31Å; L249-M253 WeakPolarHBondContact O-CG 3.35Å; L249-M253 PolarHBondContact O-N 3.45Å; L250-M253 PolarHBondContact O-N 3.46Å; M253-S255 VanDerWaalsContact C-N 3.3Å; M253-S255 PolarHBondContact O-N 2.7Å; M253-V256 PolarHBondContact O-N 3.41Å; M253-L257 WeakPolarHBondContact O-CB 3.46Å; M253-L257 WeakPolarHBondContact O-CG 3.37Å; M253-L257 PolarHBondContact O-N 3.18Å |
| 254 | C | 97.2 | Very high | 92.2 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 175 | -75.5 | 0 | 0 | 0 | 0 | 111.5 | F180 L250 G251 M252 L258 | F180-C254 HydrophobicContact CD2-CB 4.02Å; F180-C254 HydrophobicContact CE2-CB 4.42Å; L250-C254 WeakPolarHBondContact O-CB 3.29Å; L250-C254 PolarHBondContact O-N 3.18Å; L250-C254 PolarHBondContact O-SG 3.26Å; G251-C254 PolarHBondContact O-N 2.99Å; M252-C254 PolarHBondContact O-N 2.92Å; C254-L258 WeakPolarHBondContact O-CB 3.36Å; C254-L258 PolarHBondContact O-N 2.9Å |
| 255 | S | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -53.5 | 175 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | F180 T184 G251 M252 M253 L257 L258 F259 | F180-S255 VanDerWaalsContact CE2-CA 3.45Å; T184-S255 WeakPolarHBondContact CA-OG 3.32Å; T184-S255 PolarHBondContact N-OG 3.41Å; T184-S255 PolarHBondContact OG1-OG 3.26Å; G251-S255 PolarHBondContact O-N 2.96Å; G251-S255 VanDerWaalsContact O-N 3.14Å; M252-S255 WeakPolarHBondContact O-CB 3.33Å; M252-S255 PolarHBondContact O-N 3.23Å; M253-S255 VanDerWaalsContact C-N 3.3Å; M253-S255 PolarHBondContact O-N 2.7Å; S255-L257 PolarHBondContact O-N 3.31Å; S255-L258 PolarHBondContact O-N 2.87Å; S255-F259 WeakPolarHBondContact O-CD2 3.42Å; S255-F259 PolarHBondContact O-N 2.94Å; S255-F259 VanDerWaalsContact O-N 3.08Å |
| 256 | V | 94.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.2 | -51.5 | -179.5 | 170.2 | 0 | 0 | 0 | 0 | 111.8 | E98 Y101 Q183 M252 M253 F259 D260 | E98-V256 HydrophobicContact CG-CG2 3.56Å; Y101-V256 HydrophobicContact CD1-CG1 3.7Å; Y101-V256 HydrophobicContact CE1-CG1 3.49Å; Y101-V256 VanDerWaalsContact CE1-CG1 3.49Å; Q183-V256 HydrophobicContact CG-CG2 4.03Å; M252-V256 WeakPolarHBondContact O-CG2 3.49Å; M252-V256 PolarHBondContact O-N 2.81Å; M252-V256 HydrophobicContact SD-CG2 3.8Å; M253-V256 PolarHBondContact O-N 3.41Å; V256-F259 PolarHBondContact O-N 3.37Å; V256-D260 WeakPolarHBondContact O-CB 3.33Å; V256-D260 PolarHBondContact O-N 2.77Å |
| 257 | L | 94 | Very high | 85.7 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 41% | 0.408 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | -177.1 | -66.9 | 174.9 | 0 | 0 | 0 | 112.3 | M253 S255 D260 Q261 | M253-L257 WeakPolarHBondContact O-CB 3.46Å; M253-L257 WeakPolarHBondContact O-CG 3.37Å; M253-L257 PolarHBondContact O-N 3.18Å; S255-L257 PolarHBondContact O-N 3.31Å; L257-D260 PolarHBondContact O-N 3.43Å; L257-Q261 WeakPolarHBondContact O-CG 3.3Å; L257-Q261 PolarHBondContact O-N 3.49Å |
| 258 | L | 93.4 | Very high | 83.1 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 178.9 | -179.1 | 66.3 | 0 | 0 | 0 | 111.1 | F180 C254 S255 M262 | F180-L258 HydrophobicContact CE2-CD2 4.1Å; F180-L258 HydrophobicContact CZ-CD2 3.86Å; C254-L258 WeakPolarHBondContact O-CB 3.36Å; C254-L258 PolarHBondContact O-N 2.9Å; S255-L258 PolarHBondContact O-N 2.87Å; L258-M262 HydrophobicContact CG-CE 4.01Å; L258-M262 WeakPolarHBondContact O-CG 3.43Å; L258-M262 PolarHBondContact O-N 2.91Å; L258-M262 VanDerWaalsContact O-N 3.1Å |
| 259 | F | 88.6 | Confident | 80.6 | Confident | 28 Ų | 28 | 69.2 Ų | 69.2 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.2 | -29.6 | -179.5 | -69.5 | -69.1 | 0 | 0 | 0 | 112.7 | F180 T184 H188 S255 V256 M262 L263 | F180-F259 HydrophobicContact CZ-CE2 4.47Å; T184-F259 HydrophobicContact CG2-CE2 3.48Å; T184-F259 VanDerWaalsContact CG2-CE2 3.48Å; T184-F259 HydrophobicContact CG2-CZ 3.51Å; T184-F259 WeakPolarHBondContact OG1-CE2 3.38Å; H188-F259 AromaticContact CE1-CD1 3.74Å; H188-F259 AromaticContact CE1-CE1 3.74Å; H188-F259 AromaticContact NE2-CD1 3.28Å; H188-F259 VanDerWaalsContact NE2-CD1 3.28Å; H188-F259 WeakPolarHBondContact NE2-CD1 3.41Å; H188-F259 AromaticContact NE2-CE1 2.99Å; H188-F259 WeakPolarHBondContact NE2-CE1 3.49Å; H188-F259 AromaticContact NE2-CG 3.94Å; H188-F259 AromaticContact NE2-CZ 3.43Å; H188-F259 WeakPolarHBondContact NE2-CZ 3.31Å; S255-F259 WeakPolarHBondContact O-CD2 3.42Å; S255-F259 PolarHBondContact O-N 2.94Å; S255-F259 VanDerWaalsContact O-N 3.08Å; V256-F259 PolarHBondContact O-N 3.37Å; F259-M262 HydrophobicContact CD1-CE 3.13Å; F259-M262 HydrophobicContact CE1-CE 3.21Å; F259-M262 HydrophobicContact CG-CE 3.99Å; F259-M262 HydrophobicContact CZ-CE 4.12Å; F259-M262 PolarHBondContact O-N 2.93Å; F259-L263 WeakPolarHBondContact O-CB 3.43Å; F259-L263 WeakPolarHBondContact O-CD1 2.87Å; F259-L263 WeakPolarHBondContact O-CG 3.33Å; F259-L263 PolarHBondContact O-N 2.85Å |
| 260 | D | 87.3 | Confident | 77.9 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 16% | 0.16 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 174.1 | -76.7 | -2.4 | 0 | 0 | 0 | 112.6 | R102 V256 L257 L263 S264 | R102-D260 IonicContact CZ-OD1 3.59Å; R102-D260 IonicContact CZ-OD2 2.79Å; R102-D260 IonicContact NH1-OD1 3.88Å; R102-D260 PolarHBondContact NH1-OD1 3.26Å; R102-D260 IonicContact NH1-OD2 3.64Å; R102-D260 PolarHBondContact NH1-OD2 2.91Å; R102-D260 IonicContact NH2-OD1 3.36Å; R102-D260 PolarHBondContact NH2-OD1 3.07Å; R102-D260 IonicContact NH2-OD2 3.13Å; R102-D260 PolarHBondContact NH2-OD2 3.39Å; V256-D260 WeakPolarHBondContact O-CB 3.33Å; V256-D260 PolarHBondContact O-N 2.77Å; L257-D260 PolarHBondContact O-N 3.43Å; D260-L263 PolarHBondContact O-N 3.35Å; D260-S264 VanDerWaalsContact O-CB 3.24Å; D260-S264 WeakPolarHBondContact O-CB 3.5Å; D260-S264 PolarHBondContact O-N 3.36Å; D260-S264 PolarHBondContact O-OG 2.98Å |
| 261 | Q | 84.4 | Confident | 75.2 | Confident | 142 Ų | 142 | 83.7 Ų | 83.7 | 66% | 0.664 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 174.5 | -72.5 | -176.3 | -10.3 | 0 | 0 | 111.4 | L257 L263 S264 G265 | L257-Q261 WeakPolarHBondContact O-CG 3.3Å; L257-Q261 PolarHBondContact O-N 3.49Å; Q261-L263 PolarHBondContact O-N 3.4Å; Q261-S264 PolarHBondContact O-N 3.09Å; Q261-G265 PolarHBondContact O-N 3.45Å |
| 262 | M | 78.2 | Confident | 72.4 | Confident | 90 Ų | 90 | 87.6 Ų | 87.6 | 44% | 0.443 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 178.1 | -72.6 | -168.3 | -61.4 | 0 | 0 | 113.2 | L258 F259 R266 | L258-M262 HydrophobicContact CG-CE 4.01Å; L258-M262 WeakPolarHBondContact O-CG 3.43Å; L258-M262 PolarHBondContact O-N 2.91Å; L258-M262 VanDerWaalsContact O-N 3.1Å; F259-M262 HydrophobicContact CD1-CE 3.13Å; F259-M262 HydrophobicContact CE1-CE 3.21Å; F259-M262 HydrophobicContact CG-CE 3.99Å; F259-M262 HydrophobicContact CZ-CE 4.12Å; F259-M262 PolarHBondContact O-N 2.93Å; M262-R266 PolarHBondContact O-N 3Å |
| 263 | L | 70.6 | Confident | 69.7 | Low | 106 Ų | 106 | 95.8 Ų | 95.8 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.3 | -41.2 | 176.4 | -73.1 | 166.7 | 0 | 0 | 0 | 111.7 | F259 D260 Q261 G265 R266 | F259-L263 WeakPolarHBondContact O-CB 3.43Å; F259-L263 WeakPolarHBondContact O-CD1 2.87Å; F259-L263 WeakPolarHBondContact O-CG 3.33Å; F259-L263 PolarHBondContact O-N 2.85Å; D260-L263 PolarHBondContact O-N 3.35Å; Q261-L263 PolarHBondContact O-N 3.4Å; L263-G265 VanDerWaalsContact C-N 3.31Å; L263-G265 PolarHBondContact O-N 2.9Å; L263-R266 PolarHBondContact O-N 2.96Å; L263-R266 VanDerWaalsContact O-N 3.15Å |
| 264 | S | 68.8 | Low | 67.3 | Low | 87 Ų | 87 | 101.2 Ų | 101.2 | 61% | 0.608 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.4 | -36.6 | 176.3 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | D260 Q261 R266 A267 | D260-S264 VanDerWaalsContact O-CB 3.24Å; D260-S264 WeakPolarHBondContact O-CB 3.5Å; D260-S264 PolarHBondContact O-N 3.36Å; D260-S264 PolarHBondContact O-OG 2.98Å; Q261-S264 PolarHBondContact O-N 3.09Å; S264-R266 VanDerWaalsContact C-N 3.26Å; S264-R266 PolarHBondContact O-N 3.45Å; S264-A267 PolarHBondContact O-N 3.27Å |
| 265 | G | 56.8 | Low | 64.6 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -14.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q261 L263 | Q261-G265 PolarHBondContact O-N 3.45Å; L263-G265 VanDerWaalsContact C-N 3.31Å; L263-G265 PolarHBondContact O-N 2.9Å |
| 266 | R | 55.4 | Low | 62 | Low | 208 Ų | 208 | 109.7 Ų | 109.7 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -10.6 | 173.8 | -76.7 | -179.3 | 178.9 | 178.4 | 0.7 | 113.7 | M262 L263 S264 A268 | M262-R266 PolarHBondContact O-N 3Å; L263-R266 PolarHBondContact O-N 2.96Å; L263-R266 VanDerWaalsContact O-N 3.15Å; S264-R266 VanDerWaalsContact C-N 3.26Å; S264-R266 PolarHBondContact O-N 3.45Å; R266-A268 PolarHBondContact O-N 3.23Å |
| 267 | A | 47.3 | Very low | 59.6 | Low | 77 Ų | 77 | 119 Ų | 119 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -73.6 | 93.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | S264 | S264-A267 PolarHBondContact O-N 3.27Š|
| 268 | A | 43.8 | Very low | 57.3 | Low | 85 Ų | 85 | 126.5 Ų | 126.5 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | trans | -54.5 | 139.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | R266 Y270 | R266-A268 PolarHBondContact O-N 3.23Å; A268-Y270 PolarHBondContact O-N 3.21Å | ||
| 269 | P | 44.2 | Very low | 54.8 | Low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -60.5 | 128.1 | 174.6 | 23 | -30.6 | 0 | 0 | 0 | 109.3 | R271 | P269-R271 PolarHBondContact O-N 2.62Š| ||
| 270 | Y | 43.3 | Very low | 53.1 | Low | 205 Ų | 205 | 141.6 Ų | 141.6 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -49 | 108 | 171.1 | 178.8 | -99.7 | 0 | 0 | 0 | 109.6 | A268 P272 | A268-Y270 PolarHBondContact O-N 3.21Å; Y270-P272 HydrophobicContact CD1-CB 4.46Å; Y270-P272 HydrophobicContact CE1-CB 3.85Å; Y270-P272 HydrophobicContact CE1-CG 4.37Å; Y270-P272 VanDerWaalsContact O-CD 3.23Å; Y270-P272 WeakPolarHBondContact O-CD 3.41Å | ||
| 271 | R | 41.3 | Very low | 51.3 | Low | 233 Ų | 233 | 147.5 Ų | 147.5 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | -87 | 106.7 | 164.9 | -101.8 | -171.1 | -176.4 | -162.6 | 2.3 | 107 | P269 L273 | P269-R271 PolarHBondContact O-N 2.62Å; R271-L273 PolarHBondContact O-N 2.93Å | ||
| 272 | P | 38.8 | Very low | 49.5 | Very low | 83 Ų | 83 | 147.8 Ų | 147.8 | 54% | 0.539 | 77% | 0.765 | S | S | . | * | trans | -61 | 123.1 | 167.3 | 23.6 | -29.3 | 0 | 0 | 0 | 108 | Y270 L274 | Y270-P272 HydrophobicContact CD1-CB 4.46Å; Y270-P272 HydrophobicContact CE1-CB 3.85Å; Y270-P272 HydrophobicContact CE1-CG 4.37Å; Y270-P272 VanDerWaalsContact O-CD 3.23Å; Y270-P272 WeakPolarHBondContact O-CD 3.41Å; P272-L274 PolarHBondContact O-N 3.18Å | ||
| 273 | L | 42.7 | Very low | 47.8 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | -58.5 | 107.1 | 167.1 | -78 | 162.6 | 0 | 0 | 0 | 107.3 | R271 A275 | R271-L273 PolarHBondContact O-N 2.93Å; L273-A275 PolarHBondContact O-N 3.48Å | ||
| 274 | L | 46.6 | Very low | 46.4 | Very low | 171 Ų | 171 | 154 Ų | 154 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -58.4 | 112.8 | 168.6 | -79.3 | 164.1 | 0 | 0 | 0 | 107.6 | P272 N276 | P272-L274 PolarHBondContact O-N 3.18Å; L274-N276 PolarHBondContact O-N 2.98Å | ||
| 275 | A | 40.8 | Very low | 44.9 | Very low | 91 Ų | 91 | 158.5 Ų | 158.5 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -57.6 | 111.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | L273 K277 | L273-A275 PolarHBondContact O-N 3.48Å; A275-K277 PolarHBondContact O-N 2.88Å | ||
| 276 | N | 41.1 | Very low | 44 | Very low | 151 Ų | 151 | 164.9 Ų | 164.9 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -64.6 | 99.7 | 174.7 | -156 | -2.2 | 0 | 0 | 0 | 107.9 | L274 R278 | L274-N276 PolarHBondContact O-N 2.98Å; N276-R278 PolarHBondContact O-N 2.85Å | ||
| 277 | K | 43.5 | Very low | 43.1 | Very low | 196 Ų | 196 | 161.5 Ų | 161.5 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | trans | -69 | 97.4 | 168.3 | -80.2 | -168.8 | 177.9 | -176.4 | 0 | 107.5 | A275 K279 | A275-K277 PolarHBondContact O-N 2.88Å; K277-K279 PolarHBondContact O-N 3.2Å | ||
| 278 | R | 46.4 | Very low | 42.8 | Very low | 235 Ų | 235 | 168.6 Ų | 168.6 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | -62.5 | 121 | 158.3 | -72 | -176.8 | -173.9 | 177.6 | 1.6 | 108 | N276 | N276-R278 PolarHBondContact O-N 2.85Š| ||
| 279 | K | 41 | Very low | 42.7 | Very low | 279 Ų | 279 | 176.2 Ų | 176.2 | 100% | 1.213 | 85% | 0.847 | S | S | * | * | trans | -110.9 | 0 | 146 | -85.4 | -170.1 | 175.4 | -174.1 | 0 | 106.5 | K277 | K277-K279 PolarHBondContact O-N 3.2Š|
Retrieved 279 of 279 residues in 549.4 ms
(Link to these results)