| 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 | 63.3 | Low | 79.7 | Confident | 221 Ų | 221 | 101.6 Ų | 101.6 | 100% | 1.089 | 53% | 0.532 | S | S | * | . | 0 | -44.3 | 0 | -103.2 | 117.2 | 157.5 | 0 | 0 | 114.4 | S3 K4 R5 | M1-S3 PolarHBondContact O-N 3.47Å; M1-K4 PolarHBondContact O-N 3.2Å; M1-R5 PolarHBondContact O-N 3.47Å | |||
| 2 | C | 68.4 | Low | 80.5 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 76% | 0.764 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -55.3 | -44.2 | -174.9 | -69.3 | 0 | 0 | 0 | 0 | 115 | K4 R5 S6 | C2-K4 VanDerWaalsContact C-N 3.34Å; C2-K4 PolarHBondContact O-N 2.91Å; C2-R5 WeakPolarHBondContact O-CB 3.39Å; C2-R5 PolarHBondContact O-N 2.95Å; C2-R5 VanDerWaalsContact O-N 3.09Å; C2-S6 PolarHBondContact O-N 3.35Å; C2-S6 VanDerWaalsContact O-N 3.08Å |
| 3 | S | 74.9 | Confident | 81.5 | Confident | 85 Ų | 85 | 100.4 Ų | 100.4 | 59% | 0.594 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.5 | -40.1 | 179.1 | 176.5 | 0 | 0 | 0 | 0 | 113.3 | M1 R5 S6 D7 | M1-S3 PolarHBondContact O-N 3.47Å; S3-R5 VanDerWaalsContact C-N 3.29Å; S3-R5 PolarHBondContact O-N 3.13Å; S3-S6 PolarHBondContact O-N 3.27Å; S3-S6 PolarHBondContact O-OG 3.12Å; S3-D7 PolarHBondContact O-N 2.79Å; S3-D7 VanDerWaalsContact O-N 3.13Å |
| 4 | K | 74.2 | Confident | 82.4 | Confident | 148 Ų | 148 | 94.8 Ų | 94.8 | 64% | 0.643 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.4 | -31 | 177.4 | -160.2 | 172.7 | -173.5 | 173.6 | 0 | 112.2 | M1 C2 V8 | M1-K4 PolarHBondContact O-N 3.2Å; C2-K4 VanDerWaalsContact C-N 3.34Å; C2-K4 PolarHBondContact O-N 2.91Å; K4-V8 WeakPolarHBondContact O-CG2 3.5Å; K4-V8 PolarHBondContact O-N 3.04Å |
| 5 | R | 76.9 | Confident | 83.2 | Confident | 212 Ų | 212 | 91.3 Ų | 91.3 | 80% | 0.8 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -73 | -41.9 | 177.4 | -173.5 | 173.8 | -177.6 | 168.4 | 0.1 | 111.7 | M1 C2 S3 D7 V8 C9 | M1-R5 PolarHBondContact O-N 3.47Å; C2-R5 WeakPolarHBondContact O-CB 3.39Å; C2-R5 PolarHBondContact O-N 2.95Å; C2-R5 VanDerWaalsContact O-N 3.09Å; S3-R5 VanDerWaalsContact C-N 3.29Å; S3-R5 PolarHBondContact O-N 3.13Å; R5-D7 VanDerWaalsContact C-N 3.34Å; R5-V8 PolarHBondContact O-N 3.46Å; R5-C9 PolarHBondContact O-N 3.43Å; R5-C9 VanDerWaalsContact O-N 3.16Å |
| 6 | S | 83.4 | Confident | 83.9 | Confident | 54 Ų | 54 | 90.9 Ų | 90.9 | 38% | 0.378 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.4 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | C2 S3 V8 C9 Q10 | C2-S6 PolarHBondContact O-N 3.35Å; C2-S6 VanDerWaalsContact O-N 3.08Å; S3-S6 PolarHBondContact O-N 3.27Å; S3-S6 PolarHBondContact O-OG 3.12Å; S6-V8 PolarHBondContact O-N 3Å; S6-C9 PolarHBondContact O-N 3.44Å; S6-Q10 WeakPolarHBondContact O-CG 3.17Å; S6-Q10 PolarHBondContact O-N 3.34Å |
| 7 | D | 83.9 | Confident | 84.6 | Confident | 43 Ų | 43 | 90.4 Ų | 90.4 | 23% | 0.23 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.8 | -83.9 | -30.5 | 0 | 0 | 0 | 113.3 | S3 R5 Y11 K221 | S3-D7 PolarHBondContact O-N 2.79Å; S3-D7 VanDerWaalsContact O-N 3.13Å; R5-D7 VanDerWaalsContact C-N 3.34Å; D7-Y11 WeakPolarHBondContact O-CB 3.35Å; D7-Y11 PolarHBondContact O-N 3.23Å; D7-K221 IonicContact OD1-NZ 3.55Å; D7-K221 PolarHBondContact OD1-NZ 3.29Å |
| 8 | V | 84.8 | Confident | 85.3 | Confident | 53 Ų | 53 | 85.4 Ų | 85.4 | 32% | 0.321 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 176.8 | 172 | 0 | 0 | 0 | 0 | 111.1 | K4 R5 S6 Y11 R12 | K4-V8 WeakPolarHBondContact O-CG2 3.5Å; K4-V8 PolarHBondContact O-N 3.04Å; R5-V8 PolarHBondContact O-N 3.46Å; S6-V8 PolarHBondContact O-N 3Å; V8-Y11 PolarHBondContact O-N 3.08Å; V8-R12 WeakPolarHBondContact O-CG 3.41Å; V8-R12 PolarHBondContact O-N 3.37Å |
| 9 | C | 86.5 | Confident | 85.9 | Confident | 76 Ų | 76 | 84.2 Ų | 84.2 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | R5 S6 Y11 R12 C13 | R5-C9 PolarHBondContact O-N 3.43Å; R5-C9 VanDerWaalsContact O-N 3.16Å; S6-C9 PolarHBondContact O-N 3.44Å; C9-Y11 VanDerWaalsContact C-N 3.35Å; C9-Y11 PolarHBondContact O-N 3.16Å; C9-R12 PolarHBondContact O-N 3.33Å; C9-R12 VanDerWaalsContact O-N 3.13Å; C9-C13 PolarHBondContact O-N 2.76Å; C9-C13 PolarHBondContact O-SG 3.38Å; C9-C13 VanDerWaalsContact O-SG 3.38Å |
| 10 | Q | 89.9 | Confident | 86.5 | Confident | 99 Ų | 99 | 84 Ų | 84 | 46% | 0.463 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 178.7 | -69.7 | 178.3 | -6.1 | 0 | 0 | 112 | S6 R12 C13 L14 K221 | S6-Q10 WeakPolarHBondContact O-CG 3.17Å; S6-Q10 PolarHBondContact O-N 3.34Å; Q10-R12 VanDerWaalsContact C-N 3.32Å; Q10-R12 PolarHBondContact O-N 3.5Å; Q10-C13 PolarHBondContact O-N 3.37Å; Q10-L14 VanDerWaalsContact O-CG 3.25Å; Q10-L14 WeakPolarHBondContact O-CG 3.48Å; Q10-L14 PolarHBondContact O-N 3.01Å; Q10-K221 HydrophobicContact CB-CD 4.1Å |
| 11 | Y | 90.8 | Very high | 86.9 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 6% | 0.055 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 175 | 177.8 | -98.7 | 0 | 0 | 0 | 112.2 | D7 V8 C9 K15 M218 K221 V222 I225 | D7-Y11 WeakPolarHBondContact O-CB 3.35Å; D7-Y11 PolarHBondContact O-N 3.23Å; V8-Y11 PolarHBondContact O-N 3.08Å; C9-Y11 VanDerWaalsContact C-N 3.35Å; C9-Y11 PolarHBondContact O-N 3.16Å; Y11-K15 HydrophobicContact CE1-CD 4.39Å; Y11-K15 VanDerWaalsContact O-CB 3.27Å; Y11-K15 WeakPolarHBondContact O-CB 3.48Å; Y11-K15 PolarHBondContact O-N 3.09Å; Y11-M218 HydrophobicContact CD2-CG 4.13Å; Y11-M218 HydrophobicContact CE2-CE 3.72Å; Y11-M218 HydrophobicContact CE2-CG 3.76Å; Y11-M218 WeakPolarHBondContact OH-CE 2.98Å; Y11-K221 HydrophobicContact CD2-CB 4.19Å; Y11-V222 HydrophobicContact CE2-CB 4.16Å; Y11-V222 HydrophobicContact CE2-CG2 4.24Å; Y11-I225 HydrophobicContact CD1-CD1 3.75Å; Y11-I225 HydrophobicContact CD2-CD1 3.77Å; Y11-I225 HydrophobicContact CE1-CD1 4.41Å; Y11-I225 HydrophobicContact CE2-CD1 4.41Å; Y11-I225 HydrophobicContact CG-CD1 3.38Å |
| 12 | R | 89.2 | Confident | 88.6 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 175.9 | -72.7 | 179.4 | -173.7 | -89.7 | 2.4 | 111.7 | V8 C9 Q10 L14 K15 T16 A232 | V8-R12 WeakPolarHBondContact O-CG 3.41Å; V8-R12 PolarHBondContact O-N 3.37Å; C9-R12 PolarHBondContact O-N 3.33Å; C9-R12 VanDerWaalsContact O-N 3.13Å; Q10-R12 VanDerWaalsContact C-N 3.32Å; Q10-R12 PolarHBondContact O-N 3.5Å; R12-L14 PolarHBondContact O-N 3.44Å; R12-K15 PolarHBondContact O-N 2.79Å; R12-T16 PolarHBondContact O-N 3.39Å; R12-T16 PolarHBondContact O-OG1 2.95Å; R12-T16 VanDerWaalsContact O-OG1 3.05Å; R12-A232 PolarHBondContact NH2-O 3.31Å |
| 13 | C | 93 | Very high | 89.9 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 53% | 0.534 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 177 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | C9 Q10 K15 T16 F17 | C9-C13 PolarHBondContact O-N 2.76Å; C9-C13 PolarHBondContact O-SG 3.38Å; C9-C13 VanDerWaalsContact O-SG 3.38Å; Q10-C13 PolarHBondContact O-N 3.37Å; C13-K15 PolarHBondContact O-N 3.36Å; C13-T16 PolarHBondContact O-N 3.07Å; C13-F17 WeakPolarHBondContact O-CB 3.27Å; C13-F17 PolarHBondContact O-N 3.1Å |
| 14 | L | 94.8 | Very high | 91 | Very high | 22 Ų | 22 | 66.3 Ų | 66.3 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.6 | -68.6 | 170.2 | 0 | 0 | 0 | 111.7 | Q10 R12 F17 L18 C214 L217 K221 | Q10-L14 VanDerWaalsContact O-CG 3.25Å; Q10-L14 WeakPolarHBondContact O-CG 3.48Å; Q10-L14 PolarHBondContact O-N 3.01Å; R12-L14 PolarHBondContact O-N 3.44Å; L14-F17 PolarHBondContact O-N 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 3.3Å; L14-C214 HydrophobicContact CD2-CB 3.81Å; L14-C214 VanDerWaalsContact CD2-SG 3.56Å; L14-L217 HydrophobicContact CD1-CB 3.8Å; L14-L217 HydrophobicContact CD2-CB 4.33Å; L14-L217 HydrophobicContact CD2-CD1 4.34Å; L14-K221 HydrophobicContact CD1-CD 4.24Å |
| 15 | K | 93.9 | Very high | 92 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 18% | 0.183 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | 177.6 | -173.8 | -179.9 | -176.2 | -173.2 | 0 | 111 | Y11 R12 C13 L18 I19 V79 R230 | Y11-K15 HydrophobicContact CE1-CD 4.39Å; Y11-K15 VanDerWaalsContact O-CB 3.27Å; Y11-K15 WeakPolarHBondContact O-CB 3.48Å; Y11-K15 PolarHBondContact O-N 3.09Å; R12-K15 PolarHBondContact O-N 2.79Å; C13-K15 PolarHBondContact O-N 3.36Å; K15-L18 PolarHBondContact O-N 3.38Å; K15-I19 HydrophobicContact CG-CD1 3.91Å; K15-I19 VanDerWaalsContact O-CG1 3.26Å; K15-I19 WeakPolarHBondContact O-CG1 3.28Å; K15-I19 PolarHBondContact O-N 3.02Å; K15-V79 HydrophobicContact CD-CG1 4.41Å; K15-V79 HydrophobicContact CG-CG1 3.64Å; K15-R230 PolarHBondContact NZ-O 3.03Å |
| 16 | T | 94.4 | Very high | 93 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 180 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | R12 C13 L18 I19 V20 | R12-T16 PolarHBondContact O-N 3.39Å; R12-T16 PolarHBondContact O-OG1 2.95Å; R12-T16 VanDerWaalsContact O-OG1 3.05Å; C13-T16 PolarHBondContact O-N 3.07Å; T16-L18 PolarHBondContact O-N 2.9Å; T16-I19 PolarHBondContact O-N 2.95Å; T16-V20 HydrophobicContact CG2-CG2 4.48Å; T16-V20 WeakPolarHBondContact O-CG2 3.37Å; T16-V20 PolarHBondContact O-N 2.93Å |
| 17 | F | 96.1 | Very high | 93.7 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57 | -49.9 | 177.4 | 174.6 | -97.6 | 0 | 0 | 0 | 111.9 | C13 L14 I19 V20 S21 A210 C214 | C13-F17 WeakPolarHBondContact O-CB 3.27Å; C13-F17 PolarHBondContact O-N 3.1Å; L14-F17 PolarHBondContact O-N 3.24Å; F17-I19 VanDerWaalsContact C-N 3.35Å; F17-I19 PolarHBondContact O-N 3.46Å; F17-V20 PolarHBondContact O-N 2.82Å; F17-S21 PolarHBondContact O-N 2.94Å; F17-S21 PolarHBondContact O-OG 3.1Å; F17-A210 HydrophobicContact CE1-CB 4.13Å; F17-A210 HydrophobicContact CZ-CB 3.85Å; F17-C214 HydrophobicContact CD1-CB 4.18Å; F17-C214 HydrophobicContact CE1-CB 4.48Å |
| 18 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 179.2 | -74.2 | 168.6 | 0 | 0 | 0 | 112.3 | L14 K15 T16 S21 N22 F78 V79 C214 M218 | L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 3.3Å; K15-L18 PolarHBondContact O-N 3.38Å; T16-L18 PolarHBondContact O-N 2.9Å; L18-S21 PolarHBondContact O-OG 3.43Å; L18-N22 VanDerWaalsContact O-CB 3.24Å; L18-N22 WeakPolarHBondContact O-CB 3.4Å; L18-N22 PolarHBondContact O-N 3.13Å; L18-N22 VanDerWaalsContact O-N 3.07Å; L18-N22 PolarHBondContact O-ND2 3.13Å; L18-F78 HydrophobicContact CD1-CE1 3.85Å; L18-V79 HydrophobicContact CB-CG2 3.64Å; L18-V79 HydrophobicContact CD1-CG2 4.08Å; L18-C214 HydrophobicContact CD1-CB 4.2Å; L18-C214 HydrophobicContact CD2-CB 4.01Å; L18-C214 HydrophobicContact CG-CB 4.01Å; L18-M218 HydrophobicContact CD1-CB 4.47Å; L18-M218 HydrophobicContact CD1-SD 3.81Å |
| 19 | I | 97 | Very high | 94.9 | Very high | 63 Ų | 63 | 53.8 Ų | 53.8 | 32% | 0.323 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.9 | -71.3 | 168.2 | 0 | 0 | 0 | 110.1 | K15 T16 F17 S23 V79 | K15-I19 HydrophobicContact CG-CD1 3.91Å; K15-I19 VanDerWaalsContact O-CG1 3.26Å; K15-I19 WeakPolarHBondContact O-CG1 3.28Å; K15-I19 PolarHBondContact O-N 3.02Å; T16-I19 PolarHBondContact O-N 2.95Å; F17-I19 VanDerWaalsContact C-N 3.35Å; F17-I19 PolarHBondContact O-N 3.46Å; I19-S23 VanDerWaalsContact O-CB 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.47Å; I19-S23 PolarHBondContact O-N 2.84Å; I19-S23 PolarHBondContact O-OG 3.35Å; I19-V79 HydrophobicContact CD1-CG1 3.9Å; I19-V79 HydrophobicContact CG1-CB 4.44Å; I19-V79 HydrophobicContact CG1-CG1 3.75Å |
| 20 | V | 97 | Very high | 95.4 | Very high | 80 Ų | 80 | 53.9 Ų | 53.9 | 49% | 0.485 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.7 | -51 | -179 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | T16 F17 N22 S23 L24 | T16-V20 HydrophobicContact CG2-CG2 4.48Å; T16-V20 WeakPolarHBondContact O-CG2 3.37Å; T16-V20 PolarHBondContact O-N 2.93Å; F17-V20 PolarHBondContact O-N 2.82Å; V20-N22 PolarHBondContact O-N 2.71Å; V20-S23 PolarHBondContact O-N 3.39Å; V20-L24 HydrophobicContact CG1-CD1 4.31Å; V20-L24 WeakPolarHBondContact O-CG 3.34Å; V20-L24 PolarHBondContact O-N 3.05Å |
| 21 | S | 96.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | -178.1 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | F17 L18 L24 N25 S211 | F17-S21 PolarHBondContact O-N 2.94Å; F17-S21 PolarHBondContact O-OG 3.1Å; L18-S21 PolarHBondContact O-OG 3.43Å; S21-L24 PolarHBondContact O-N 2.97Å; S21-N25 PolarHBondContact O-N 2.97Å; S21-S211 PolarHBondContact OG-OG 3.4Å |
| 22 | N | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.2 | -30.3 | 178.7 | -71.1 | -66 | 0 | 0 | 0 | 112.8 | L18 V20 N25 L26 L71 G72 I76 Y90 | L18-N22 VanDerWaalsContact O-CB 3.24Å; L18-N22 WeakPolarHBondContact O-CB 3.4Å; L18-N22 PolarHBondContact O-N 3.13Å; L18-N22 VanDerWaalsContact O-N 3.07Å; L18-N22 PolarHBondContact O-ND2 3.13Å; V20-N22 PolarHBondContact O-N 2.71Å; N22-N25 PolarHBondContact O-N 3.38Å; N22-L26 WeakPolarHBondContact O-CB 3.38Å; N22-L26 PolarHBondContact O-N 3.4Å; N22-L71 PolarHBondContact OD1-O 3.29Å; N22-G72 VanDerWaalsContact O-CA 3.24Å; N22-G72 WeakPolarHBondContact O-CA 3.37Å; N22-I76 HydrophobicContact CB-CG1 3.95Å; N22-Y90 PolarHBondContact ND2-OH 2.98Å; N22-Y90 VanDerWaalsContact ND2-OH 3.08Å; N22-Y90 WeakPolarHBondContact OD1-CE2 3.37Å; N22-Y90 PolarHBondContact OD1-OH 3.44Å |
| 23 | S | 97.5 | Very high | 96.5 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 171.9 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | I19 V20 L26 V27 | I19-S23 VanDerWaalsContact O-CB 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.47Å; I19-S23 PolarHBondContact O-N 2.84Å; I19-S23 PolarHBondContact O-OG 3.35Å; V20-S23 PolarHBondContact O-N 3.39Å; S23-L26 WeakPolarHBondContact O-CB 3.4Å; S23-L26 PolarHBondContact O-N 3.16Å; S23-V27 WeakPolarHBondContact O-CG2 3.26Å; S23-V27 PolarHBondContact O-N 3.3Å |
| 24 | L | 96.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.3 | -49.6 | 173.2 | -70.9 | 171.6 | 0 | 0 | 0 | 111 | V20 S21 L26 V27 F28 | V20-L24 HydrophobicContact CG1-CD1 4.31Å; V20-L24 WeakPolarHBondContact O-CG 3.34Å; V20-L24 PolarHBondContact O-N 3.05Å; S21-L24 PolarHBondContact O-N 2.97Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.3Å; L24-V27 PolarHBondContact O-N 2.96Å; L24-F28 HydrophobicContact CB-CD2 4.31Å; L24-F28 HydrophobicContact CB-CE2 4.24Å; L24-F28 HydrophobicContact CD2-CE2 4.42Å; L24-F28 WeakPolarHBondContact O-CD2 3.27Å; L24-F28 PolarHBondContact O-N 2.95Å |
| 25 | N | 96.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -39.2 | 176.4 | -72.6 | -22.2 | 0 | 0 | 0 | 112.3 | S21 N22 G29 | S21-N25 PolarHBondContact O-N 2.97Å; N22-N25 PolarHBondContact O-N 3.38Å; N25-G29 PolarHBondContact O-N 3.26Å |
| 26 | L | 97.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 177.1 | -169.4 | 70.6 | 0 | 0 | 0 | 111.5 | N22 S23 L24 G29 I30 F69 S73 I76 | N22-L26 WeakPolarHBondContact O-CB 3.38Å; N22-L26 PolarHBondContact O-N 3.4Å; S23-L26 WeakPolarHBondContact O-CB 3.4Å; S23-L26 PolarHBondContact O-N 3.16Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.3Å; L26-G29 PolarHBondContact O-N 3.39Å; L26-I30 HydrophobicContact CG-CD1 4.26Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.29Å; L26-I30 PolarHBondContact O-N 3.36Å; L26-F69 HydrophobicContact CD1-CD2 3.44Å; L26-F69 VanDerWaalsContact CD1-CD2 3.44Å; L26-F69 HydrophobicContact CD1-CE2 3.61Å; L26-F69 HydrophobicContact CD1-CG 4.18Å; L26-F69 HydrophobicContact CD1-CZ 4.46Å; L26-F69 HydrophobicContact CG-CD2 4.47Å; L26-S73 VanDerWaalsContact CD1-OG 3.29Å; L26-S73 WeakPolarHBondContact CD1-OG 3.42Å; L26-I76 HydrophobicContact CD2-CD1 4.22Å |
| 27 | V | 97.8 | Very high | 97 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 178.3 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | S23 L24 G29 I30 C31 | S23-V27 WeakPolarHBondContact O-CG2 3.26Å; S23-V27 PolarHBondContact O-N 3.3Å; L24-V27 PolarHBondContact O-N 2.96Å; V27-G29 VanDerWaalsContact C-N 3.31Å; V27-G29 PolarHBondContact O-N 3.35Å; V27-I30 PolarHBondContact O-N 3.34Å; V27-C31 PolarHBondContact O-N 3.23Å; V27-C31 PolarHBondContact O-SG 2.95Å |
| 28 | F | 96.2 | Very high | 96.9 | Very high | 116 Ų | 116 | 55 Ų | 55 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 176.7 | -75.4 | -61.2 | 0 | 0 | 0 | 112.2 | L24 C31 L32 L68 | L24-F28 HydrophobicContact CB-CD2 4.31Å; L24-F28 HydrophobicContact CB-CE2 4.24Å; L24-F28 HydrophobicContact CD2-CE2 4.42Å; L24-F28 WeakPolarHBondContact O-CD2 3.27Å; L24-F28 PolarHBondContact O-N 2.95Å; F28-C31 PolarHBondContact O-N 3.16Å; F28-L32 WeakPolarHBondContact O-CG 3.37Å; F28-L32 PolarHBondContact O-N 3.35Å; F28-L68 HydrophobicContact CB-CD1 4.19Å |
| 29 | G | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N25 L26 V27 C31 L32 I33 G65 | N25-G29 PolarHBondContact O-N 3.26Å; L26-G29 PolarHBondContact O-N 3.39Å; V27-G29 VanDerWaalsContact C-N 3.31Å; V27-G29 PolarHBondContact O-N 3.35Å; G29-C31 PolarHBondContact O-N 3.44Å; G29-L32 PolarHBondContact O-N 2.81Å; G29-I33 VanDerWaalsContact O-CG1 3.28Å; G29-I33 WeakPolarHBondContact O-CG1 3.34Å; G29-I33 PolarHBondContact O-N 2.99Å; G29-G65 WeakPolarHBondContact CA-O 3.31Å |
| 30 | I | 98.3 | Very high | 96.4 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 40% | 0.4 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.4 | -66.2 | 165.8 | 0 | 0 | 0 | 110.6 | L26 V27 L32 I33 V34 F69 | L26-I30 HydrophobicContact CG-CD1 4.26Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.29Å; L26-I30 PolarHBondContact O-N 3.36Å; V27-I30 PolarHBondContact O-N 3.34Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 3.36Å; I30-I33 PolarHBondContact O-N 3.44Å; I30-V34 HydrophobicContact CG2-CG2 4.18Å; I30-V34 WeakPolarHBondContact O-CG2 3.42Å; I30-V34 PolarHBondContact O-N 3.22Å; I30-F69 HydrophobicContact CG1-CD2 3.95Å; I30-F69 HydrophobicContact CG1-CE2 4.33Å |
| 31 | C | 97.8 | Very high | 96 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 178.3 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | V27 F28 G29 M35 | V27-C31 PolarHBondContact O-N 3.23Å; V27-C31 PolarHBondContact O-SG 2.95Å; F28-C31 PolarHBondContact O-N 3.16Å; G29-C31 PolarHBondContact O-N 3.44Å; C31-M35 VanDerWaalsContact O-CB 3.26Å; C31-M35 WeakPolarHBondContact O-CB 3.4Å; C31-M35 VanDerWaalsContact O-CG 3.22Å; C31-M35 WeakPolarHBondContact O-CG 3.5Å; C31-M35 PolarHBondContact O-N 3.01Å |
| 32 | L | 97 | Very high | 95.6 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 177.8 | -74.6 | -180 | 0 | 0 | 0 | 112.8 | F28 G29 I30 G36 L64 L68 | F28-L32 WeakPolarHBondContact O-CG 3.37Å; F28-L32 PolarHBondContact O-N 3.35Å; G29-L32 PolarHBondContact O-N 2.81Å; I30-L32 VanDerWaalsContact C-N 3.33Å; I30-L32 PolarHBondContact O-N 3.36Å; L32-G36 WeakPolarHBondContact O-CA 3.34Å; L32-G36 PolarHBondContact O-N 2.82Å; L32-L64 HydrophobicContact CD1-CB 4.4Å; L32-L68 HydrophobicContact CD1-CD1 3.87Å |
| 33 | I | 98 | Very high | 94.9 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 176.6 | -66.1 | 164.3 | 0 | 0 | 0 | 110 | G29 I30 G36 S37 F69 | G29-I33 VanDerWaalsContact O-CG1 3.28Å; G29-I33 WeakPolarHBondContact O-CG1 3.34Å; G29-I33 PolarHBondContact O-N 2.99Å; I30-I33 PolarHBondContact O-N 3.44Å; I33-G36 PolarHBondContact O-N 3.05Å; I33-S37 WeakPolarHBondContact O-CB 3.29Å; I33-S37 PolarHBondContact O-N 3.47Å; I33-S37 PolarHBondContact O-OG 3.43Å; I33-F69 HydrophobicContact CD1-CB 4.21Å |
| 34 | V | 98.1 | Very high | 94.2 | Very high | 82 Ų | 82 | 63.6 Ų | 63.6 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -51.7 | -179.9 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | I30 G36 S37 Y38 | I30-V34 HydrophobicContact CG2-CG2 4.18Å; I30-V34 WeakPolarHBondContact O-CG2 3.42Å; I30-V34 PolarHBondContact O-N 3.22Å; V34-G36 PolarHBondContact O-N 2.87Å; V34-S37 PolarHBondContact O-N 3.24Å; V34-S37 PolarHBondContact O-OG 2.84Å; V34-Y38 WeakPolarHBondContact O-CB 3.31Å; V34-Y38 PolarHBondContact O-N 3.45Å |
| 35 | M | 96.4 | Very high | 93.4 | Very high | 105 Ų | 105 | 63.5 Ų | 63.5 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 178.9 | -70.4 | -61 | -65.7 | 0 | 0 | 112.3 | C31 Y38 V39 | C31-M35 VanDerWaalsContact O-CB 3.26Å; C31-M35 WeakPolarHBondContact O-CB 3.4Å; C31-M35 VanDerWaalsContact O-CG 3.22Å; C31-M35 WeakPolarHBondContact O-CG 3.5Å; C31-M35 PolarHBondContact O-N 3.01Å; M35-Y38 PolarHBondContact O-N 3.42Å; M35-V39 WeakPolarHBondContact O-CB 3.44Å; M35-V39 VanDerWaalsContact O-CG2 3.27Å; M35-V39 WeakPolarHBondContact O-CG2 3.23Å; M35-V39 PolarHBondContact O-N 2.64Å |
| 36 | G | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L32 I33 V34 H40 | L32-G36 WeakPolarHBondContact O-CA 3.34Å; L32-G36 PolarHBondContact O-N 2.82Å; I33-G36 PolarHBondContact O-N 3.05Å; V34-G36 PolarHBondContact O-N 2.87Å; G36-H40 VanDerWaalsContact O-CB 3.27Å; G36-H40 WeakPolarHBondContact O-CB 3.23Å; G36-H40 PolarHBondContact O-N 3.26Å |
| 37 | S | 95.5 | Very high | 91 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.2 | 69.9 | 0 | 0 | 0 | 0 | 112.2 | I33 V34 H40 L41 | I33-S37 WeakPolarHBondContact O-CB 3.29Å; I33-S37 PolarHBondContact O-N 3.47Å; I33-S37 PolarHBondContact O-OG 3.43Å; V34-S37 PolarHBondContact O-N 3.24Å; V34-S37 PolarHBondContact O-OG 2.84Å; S37-H40 PolarHBondContact O-N 2.93Å; S37-L41 WeakPolarHBondContact O-CB 3.39Å; S37-L41 WeakPolarHBondContact O-CD1 3.45Å; S37-L41 PolarHBondContact O-N 3.07Å |
| 38 | Y | 94.9 | Very high | 89.3 | Confident | 154 Ų | 154 | 78.4 Ų | 78.4 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.9 | -48.9 | 177.4 | 176.6 | -98 | 0 | 0 | 0 | 111.7 | V34 M35 L41 F42 | V34-Y38 WeakPolarHBondContact O-CB 3.31Å; V34-Y38 PolarHBondContact O-N 3.45Å; M35-Y38 PolarHBondContact O-N 3.42Å; Y38-L41 PolarHBondContact O-N 3.38Å; Y38-F42 WeakPolarHBondContact O-CB 3.25Å; Y38-F42 PolarHBondContact O-N 3.45Å |
| 39 | V | 91.7 | Very high | 87.8 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | M35 L41 F42 L43 T58 | M35-V39 WeakPolarHBondContact O-CB 3.44Å; M35-V39 VanDerWaalsContact O-CG2 3.27Å; M35-V39 WeakPolarHBondContact O-CG2 3.23Å; M35-V39 PolarHBondContact O-N 2.64Å; V39-L41 PolarHBondContact O-N 3.48Å; V39-F42 PolarHBondContact O-N 3.28Å; V39-L43 HydrophobicContact CG1-CD1 3.99Å; V39-L43 HydrophobicContact CG1-CG 4.06Å; V39-L43 WeakPolarHBondContact O-CB 3.36Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.35Å; V39-L43 PolarHBondContact O-N 3.26Å; V39-T58 HydrophobicContact CB-CG2 4.21Å; V39-T58 HydrophobicContact CG1-CG2 3.66Å |
| 40 | H | 90.9 | Very high | 86.2 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 22% | 0.218 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 177.2 | 177.6 | -80.3 | 0 | 0 | 0 | 112 | G36 S37 F42 L43 S44 T58 F59 | G36-H40 VanDerWaalsContact O-CB 3.27Å; G36-H40 WeakPolarHBondContact O-CB 3.23Å; G36-H40 PolarHBondContact O-N 3.26Å; S37-H40 PolarHBondContact O-N 2.93Å; H40-F42 VanDerWaalsContact C-N 3.33Å; H40-F42 PolarHBondContact O-N 2.91Å; H40-L43 PolarHBondContact O-N 3.27Å; H40-S44 WeakPolarHBondContact O-CB 3.45Å; H40-S44 PolarHBondContact O-N 3.44Å; H40-S44 PolarHBondContact O-OG 3.5Å; H40-T58 HydrophobicContact CB-CG2 4.35Å; H40-T58 PolarHBondContact CD2-OG1 2.98Å; H40-F59 AromaticContact CD2-CZ 3.87Å; H40-F59 AromaticContact NE2-CE1 3.94Å; H40-F59 AromaticContact NE2-CZ 3.45Å; H40-F59 WeakPolarHBondContact NE2-CZ 3.24Å |
| 41 | L | 89.8 | Confident | 84.6 | Confident | 105 Ų | 105 | 80 Ų | 80 | 55% | 0.55 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 175.9 | -92.2 | 134.8 | 0 | 0 | 0 | 112.1 | S37 Y38 V39 S44 T45 | S37-L41 WeakPolarHBondContact O-CB 3.39Å; S37-L41 WeakPolarHBondContact O-CD1 3.45Å; S37-L41 PolarHBondContact O-N 3.07Å; Y38-L41 PolarHBondContact O-N 3.38Å; V39-L41 PolarHBondContact O-N 3.48Å; L41-S44 PolarHBondContact O-OG 3.3Å; L41-S44 VanDerWaalsContact O-OG 3.13Å; L41-T45 VanDerWaalsContact O-CB 3.24Å; L41-T45 WeakPolarHBondContact O-CB 3.27Å; L41-T45 PolarHBondContact O-N 3.02Å; L41-T45 PolarHBondContact O-OG1 2.98Å |
| 42 | F | 86.7 | Confident | 83.4 | Confident | 95 Ų | 95 | 82.1 Ų | 82.1 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 176.7 | -177 | -95.6 | 0 | 0 | 0 | 111.4 | Y38 V39 H40 S44 F46 L47 | Y38-F42 WeakPolarHBondContact O-CB 3.25Å; Y38-F42 PolarHBondContact O-N 3.45Å; V39-F42 PolarHBondContact O-N 3.28Å; H40-F42 VanDerWaalsContact C-N 3.33Å; H40-F42 PolarHBondContact O-N 2.91Å; F42-S44 PolarHBondContact O-N 3.48Å; F42-F46 AromaticContact CD2-CD2 3.37Å; F42-F46 HydrophobicContact CD2-CD2 3.37Å; F42-F46 AromaticContact CD2-CE2 3.72Å; F42-F46 HydrophobicContact CD2-CE2 3.72Å; F42-F46 HydrophobicContact CD2-CG 4.3Å; F42-F46 AromaticContact CE2-CD2 3.63Å; F42-F46 HydrophobicContact CE2-CD2 3.63Å; F42-F46 HydrophobicContact CE2-CE2 4.08Å; F42-F46 HydrophobicContact CE2-CG 4.16Å; F42-F46 HydrophobicContact CG-CD2 4.01Å; F42-F46 HydrophobicContact CZ-CD2 4.44Å; F42-F46 WeakPolarHBondContact O-CB 3.3Å; F42-F46 WeakPolarHBondContact O-CD2 3.34Å; F42-F46 PolarHBondContact O-N 3.48Å; F42-L47 HydrophobicContact CE1-CD1 4.25Å |
| 43 | L | 83.2 | Confident | 82.3 | Confident | 25 Ų | 25 | 86.3 Ų | 86.3 | 13% | 0.131 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.1 | -65.6 | -176.8 | 0 | 0 | 0 | 111.7 | V39 H40 L47 L50 M54 T58 | V39-L43 HydrophobicContact CG1-CD1 3.99Å; V39-L43 HydrophobicContact CG1-CG 4.06Å; V39-L43 WeakPolarHBondContact O-CB 3.36Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.35Å; V39-L43 PolarHBondContact O-N 3.26Å; H40-L43 PolarHBondContact O-N 3.27Å; L43-L47 HydrophobicContact CD2-CD1 3.62Å; L43-L47 CarbonylContact O-C 3.58Å; L43-L47 VanDerWaalsContact O-C 3.27Å; L43-L47 WeakPolarHBondContact O-CA 3.42Å; L43-L47 WeakPolarHBondContact O-CB 3.42Å; L43-L47 PolarHBondContact O-N 3.32Å; L43-L47 VanDerWaalsContact O-N 3.11Å; L43-L50 HydrophobicContact CB-CD2 3.9Å; L43-L50 HydrophobicContact CD1-CD2 3.7Å; L43-L50 HydrophobicContact CD2-CD2 3.45Å; L43-L50 VanDerWaalsContact CD2-CD2 3.45Å; L43-L50 HydrophobicContact CG-CD2 3.84Å; L43-M54 HydrophobicContact CD1-CB 4.34Å; L43-T58 HydrophobicContact CD1-CG2 3.67Å |
| 44 | S | 81.9 | Confident | 81.1 | Confident | 55 Ų | 55 | 87.6 Ų | 87.6 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.1 | -34.5 | -177.7 | 67.8 | 0 | 0 | 0 | 0 | 113.5 | H40 L41 F42 | H40-S44 WeakPolarHBondContact O-CB 3.45Å; H40-S44 PolarHBondContact O-N 3.44Å; H40-S44 PolarHBondContact O-OG 3.5Å; L41-S44 PolarHBondContact O-OG 3.3Å; L41-S44 VanDerWaalsContact O-OG 3.13Å; F42-S44 PolarHBondContact O-N 3.48Å |
| 45 | T | 81.1 | Confident | 80.3 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -84.5 | -47.5 | -175.9 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | L41 | L41-T45 VanDerWaalsContact O-CB 3.24Å; L41-T45 WeakPolarHBondContact O-CB 3.27Å; L41-T45 PolarHBondContact O-N 3.02Å; L41-T45 PolarHBondContact O-OG1 2.98Å |
| 46 | F | 73 | Confident | 79.9 | Confident | 147 Ų | 147 | 84.6 Ų | 84.6 | 65% | 0.645 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -95.3 | -24.2 | -171.4 | -61.6 | -77.3 | 0 | 0 | 0 | 113.3 | F42 | F42-F46 AromaticContact CD2-CD2 3.37Å; F42-F46 HydrophobicContact CD2-CD2 3.37Å; F42-F46 AromaticContact CD2-CE2 3.72Å; F42-F46 HydrophobicContact CD2-CE2 3.72Å; F42-F46 HydrophobicContact CD2-CG 4.3Å; F42-F46 AromaticContact CE2-CD2 3.63Å; F42-F46 HydrophobicContact CE2-CD2 3.63Å; F42-F46 HydrophobicContact CE2-CE2 4.08Å; F42-F46 HydrophobicContact CE2-CG 4.16Å; F42-F46 HydrophobicContact CG-CD2 4.01Å; F42-F46 HydrophobicContact CZ-CD2 4.44Å; F42-F46 WeakPolarHBondContact O-CB 3.3Å; F42-F46 WeakPolarHBondContact O-CD2 3.34Å; F42-F46 PolarHBondContact O-N 3.48Å |
| 47 | L | 69.6 | Low | 79.6 | Confident | 75 Ų | 75 | 89.2 Ų | 89.2 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | trans | -121.8 | 57.8 | -173.9 | -62 | 164.9 | 0 | 0 | 0 | 111.1 | F42 L43 N49 L50 | F42-L47 HydrophobicContact CE1-CD1 4.25Å; L43-L47 HydrophobicContact CD2-CD1 3.62Å; L43-L47 CarbonylContact O-C 3.58Å; L43-L47 VanDerWaalsContact O-C 3.27Å; L43-L47 WeakPolarHBondContact O-CA 3.42Å; L43-L47 WeakPolarHBondContact O-CB 3.42Å; L43-L47 PolarHBondContact O-N 3.32Å; L43-L47 VanDerWaalsContact O-N 3.11Å; L47-N49 PolarHBondContact O-N 2.99Å; L47-L50 HydrophobicContact CB-CB 4.25Å; L47-L50 HydrophobicContact CB-CD1 3.97Å; L47-L50 HydrophobicContact CD1-CD1 4Å; L47-L50 HydrophobicContact CG-CD1 4.43Å; L47-L50 WeakPolarHBondContact O-CB 3.42Å; L47-L50 PolarHBondContact O-N 2.94Å | ||
| 48 | R | 62.1 | Low | 79.4 | Confident | 223 Ų | 223 | 87.3 Ų | 87.3 | 84% | 0.842 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -21.8 | -177.7 | -72.1 | -172.7 | 179.7 | -154.7 | 0.2 | 115.4 | ||
| 49 | N | 64.7 | Low | 79.4 | Confident | 121 Ų | 121 | 85 Ų | 85 | 65% | 0.647 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 20.1 | -177.5 | -63.6 | -29.7 | 0 | 0 | 0 | 113.9 | L47 | L47-N49 PolarHBondContact O-N 2.99Š|
| 50 | L | 63.4 | Low | 79.5 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 30% | 0.304 | 44% | 0.442 | S | S | . | . | trans | -67.9 | 144.3 | -177.3 | -150.5 | 70.6 | 0 | 0 | 0 | 111.5 | L43 L47 V52 M54 | L43-L50 HydrophobicContact CB-CD2 3.9Å; L43-L50 HydrophobicContact CD1-CD2 3.7Å; L43-L50 HydrophobicContact CD2-CD2 3.45Å; L43-L50 VanDerWaalsContact CD2-CD2 3.45Å; L43-L50 HydrophobicContact CG-CD2 3.84Å; L47-L50 HydrophobicContact CB-CB 4.25Å; L47-L50 HydrophobicContact CB-CD1 3.97Å; L47-L50 HydrophobicContact CD1-CD1 4Å; L47-L50 HydrophobicContact CG-CD1 4.43Å; L47-L50 WeakPolarHBondContact O-CB 3.42Å; L47-L50 PolarHBondContact O-N 2.94Å; L50-V52 PolarHBondContact O-N 3.3Å; L50-M54 HydrophobicContact CD2-CB 3.38Å; L50-M54 HydrophobicContact CD2-CG 4Å; L50-M54 HydrophobicContact CG-CB 3.87Å; L50-M54 HydrophobicContact CG-CG 4.07Å | ||
| 51 | P | 65.3 | Low | 79.6 | Confident | 50 Ų | 50 | 87.7 Ų | 87.7 | 33% | 0.325 | 44% | 0.444 | S | S | . | . | trans | -56.4 | 135.8 | 171.4 | 20.6 | -33.5 | 0 | 0 | 0 | 111.5 | H53 M54 | P51-H53 PolarHBondContact O-N 3Å; P51-M54 HydrophobicContact CG-CG 3.97Å; P51-M54 PolarHBondContact O-N 2.98Å | ||
| 52 | V | 73.5 | Confident | 79.9 | Confident | 108 Ų | 108 | 85.4 Ų | 85.4 | 66% | 0.655 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -47.7 | -30.2 | 178.5 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | L50 M54 L55 S56 | L50-V52 PolarHBondContact O-N 3.3Å; V52-M54 VanDerWaalsContact C-N 3.34Å; V52-M54 PolarHBondContact O-N 3.45Å; V52-L55 PolarHBondContact O-N 3.29Å; V52-S56 PolarHBondContact O-N 2.75Å; V52-S56 PolarHBondContact O-OG 3.47Å; V52-S56 VanDerWaalsContact O-OG 3.07Å |
| 53 | H | 72.7 | Confident | 80.4 | Confident | 147 Ų | 147 | 83.9 Ų | 83.9 | 68% | 0.681 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.3 | -35.9 | 178.2 | -57.5 | -59.2 | 0 | 0 | 0 | 114.1 | P51 S56 L57 | P51-H53 PolarHBondContact O-N 3Å; H53-S56 WeakPolarHBondContact O-CB 3.27Å; H53-S56 PolarHBondContact O-N 2.97Å; H53-L57 PolarHBondContact O-N 2.94Å; H53-L57 VanDerWaalsContact O-N 3.14Å |
| 54 | M | 74.3 | Confident | 81 | Confident | 76 Ų | 76 | 86.2 Ų | 86.2 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.2 | -37.1 | 179.2 | -65.6 | -63.8 | 179.1 | 0 | 0 | 111 | L43 L50 P51 V52 S56 L57 T58 | L43-M54 HydrophobicContact CD1-CB 4.34Å; L50-M54 HydrophobicContact CD2-CB 3.38Å; L50-M54 HydrophobicContact CD2-CG 4Å; L50-M54 HydrophobicContact CG-CB 3.87Å; L50-M54 HydrophobicContact CG-CG 4.07Å; P51-M54 HydrophobicContact CG-CG 3.97Å; P51-M54 PolarHBondContact O-N 2.98Å; V52-M54 VanDerWaalsContact C-N 3.34Å; V52-M54 PolarHBondContact O-N 3.45Å; M54-S56 VanDerWaalsContact C-N 3.35Å; M54-L57 WeakPolarHBondContact O-CB 3.4Å; M54-L57 PolarHBondContact O-N 3.35Å; M54-T58 PolarHBondContact O-N 3.28Å |
| 55 | L | 81.2 | Confident | 81.7 | Confident | 63 Ų | 63 | 83.6 Ų | 83.6 | 33% | 0.33 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 173.3 | -161.9 | 74.4 | 0 | 0 | 0 | 110.4 | V52 L57 T58 F59 | V52-L55 PolarHBondContact O-N 3.29Å; L55-L57 PolarHBondContact O-N 3.36Å; L55-T58 PolarHBondContact O-N 3.36Å; L55-T58 VanDerWaalsContact O-N 3.09Å; L55-T58 PolarHBondContact O-OG1 2.93Å; L55-F59 HydrophobicContact CD2-CE2 3.87Å; L55-F59 HydrophobicContact CG-CD2 4.31Å; L55-F59 HydrophobicContact CG-CE2 3.71Å; L55-F59 VanDerWaalsContact O-CD2 3.29Å; L55-F59 WeakPolarHBondContact O-CD2 3.33Å; L55-F59 PolarHBondContact O-N 2.81Å |
| 56 | S | 87.5 | Confident | 82.5 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 43% | 0.427 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.3 | -38.8 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | V52 H53 M54 T58 F59 I60 | V52-S56 PolarHBondContact O-N 2.75Å; V52-S56 PolarHBondContact O-OG 3.47Å; V52-S56 VanDerWaalsContact O-OG 3.07Å; H53-S56 WeakPolarHBondContact O-CB 3.27Å; H53-S56 PolarHBondContact O-N 2.97Å; M54-S56 VanDerWaalsContact C-N 3.35Å; S56-T58 VanDerWaalsContact C-N 3.33Å; S56-T58 PolarHBondContact O-N 3.26Å; S56-F59 PolarHBondContact O-N 2.92Å; S56-I60 WeakPolarHBondContact O-CG1 3.49Å; S56-I60 PolarHBondContact O-N 2.9Å |
| 57 | L | 88.6 | Confident | 83.6 | Confident | 96 Ų | 96 | 77.4 Ų | 77.4 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.3 | -172.7 | 63.9 | 0 | 0 | 0 | 112.2 | H53 M54 L55 I60 M61 | H53-L57 PolarHBondContact O-N 2.94Å; H53-L57 VanDerWaalsContact O-N 3.14Å; M54-L57 WeakPolarHBondContact O-CB 3.4Å; M54-L57 PolarHBondContact O-N 3.35Å; L55-L57 PolarHBondContact O-N 3.36Å; L57-I60 PolarHBondContact O-N 2.78Å; L57-M61 WeakPolarHBondContact O-CG 3.44Å; L57-M61 PolarHBondContact O-N 3.42Å |
| 58 | T | 92.1 | Very high | 84.9 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 177.9 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | V39 H40 L43 M54 L55 S56 M61 M62 | V39-T58 HydrophobicContact CB-CG2 4.21Å; V39-T58 HydrophobicContact CG1-CG2 3.66Å; H40-T58 HydrophobicContact CB-CG2 4.35Å; H40-T58 PolarHBondContact CD2-OG1 2.98Å; L43-T58 HydrophobicContact CD1-CG2 3.67Å; M54-T58 PolarHBondContact O-N 3.28Å; L55-T58 PolarHBondContact O-N 3.36Å; L55-T58 VanDerWaalsContact O-N 3.09Å; L55-T58 PolarHBondContact O-OG1 2.93Å; S56-T58 VanDerWaalsContact C-N 3.33Å; S56-T58 PolarHBondContact O-N 3.26Å; T58-M61 WeakPolarHBondContact O-CB 3.46Å; T58-M61 PolarHBondContact O-N 2.97Å; T58-M62 WeakPolarHBondContact O-CG 3.48Å; T58-M62 PolarHBondContact O-N 3.42Å |
| 59 | F | 93.6 | Very high | 86.6 | Confident | 105 Ų | 105 | 68.9 Ų | 68.9 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 173.7 | -71.3 | -61.6 | 0 | 0 | 0 | 112.2 | H40 L55 S56 M61 M62 A63 | H40-F59 AromaticContact CD2-CZ 3.87Å; H40-F59 AromaticContact NE2-CE1 3.94Å; H40-F59 AromaticContact NE2-CZ 3.45Å; H40-F59 WeakPolarHBondContact NE2-CZ 3.24Å; L55-F59 HydrophobicContact CD2-CE2 3.87Å; L55-F59 HydrophobicContact CG-CD2 4.31Å; L55-F59 HydrophobicContact CG-CE2 3.71Å; L55-F59 VanDerWaalsContact O-CD2 3.29Å; L55-F59 WeakPolarHBondContact O-CD2 3.33Å; L55-F59 PolarHBondContact O-N 2.81Å; S56-F59 PolarHBondContact O-N 2.92Å; F59-M61 VanDerWaalsContact C-N 3.35Å; F59-M62 PolarHBondContact O-N 3.43Å; F59-A63 WeakPolarHBondContact O-CB 3.32Å; F59-A63 PolarHBondContact O-N 3.38Å |
| 60 | I | 93.5 | Very high | 88.2 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.8 | -66.1 | 166.2 | 0 | 0 | 0 | 110.4 | S56 L57 M62 A63 L64 | S56-I60 WeakPolarHBondContact O-CG1 3.49Å; S56-I60 PolarHBondContact O-N 2.9Å; L57-I60 PolarHBondContact O-N 2.78Å; I60-M62 PolarHBondContact O-N 2.92Å; I60-A63 PolarHBondContact O-N 3.27Å; I60-L64 HydrophobicContact CG2-CD1 4.08Å; I60-L64 HydrophobicContact CG2-CG 4.44Å; I60-L64 WeakPolarHBondContact O-CG 3.24Å; I60-L64 PolarHBondContact O-N 3.08Å |
| 61 | M | 94 | Very high | 89.8 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58 | -46 | 176.1 | -75.7 | 175 | 47.4 | 0 | 0 | 112.4 | L57 T58 F59 G65 | L57-M61 WeakPolarHBondContact O-CG 3.44Å; L57-M61 PolarHBondContact O-N 3.42Å; T58-M61 WeakPolarHBondContact O-CB 3.46Å; T58-M61 PolarHBondContact O-N 2.97Å; F59-M61 VanDerWaalsContact C-N 3.35Å; M61-G65 PolarHBondContact O-N 2.74Å |
| 62 | M | 96.4 | Very high | 91.4 | Very high | 57 Ų | 57 | 60.1 Ų | 60.1 | 28% | 0.281 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 177.4 | -69.7 | 173.7 | 64.4 | 0 | 0 | 112 | T58 F59 I60 L64 G65 C66 | T58-M62 WeakPolarHBondContact O-CG 3.48Å; T58-M62 PolarHBondContact O-N 3.42Å; F59-M62 PolarHBondContact O-N 3.43Å; I60-M62 PolarHBondContact O-N 2.92Å; M62-L64 PolarHBondContact O-N 3.24Å; M62-G65 PolarHBondContact O-N 3.15Å; M62-C66 PolarHBondContact O-N 2.94Å; M62-C66 PolarHBondContact O-SG 2.91Å; M62-C66 VanDerWaalsContact O-SG 3.37Å |
| 63 | A | 96.4 | Very high | 92.5 | Very high | 62 Ų | 62 | 57 Ų | 57 | 51% | 0.512 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F59 I60 G65 C66 L67 | F59-A63 WeakPolarHBondContact O-CB 3.32Å; F59-A63 PolarHBondContact O-N 3.38Å; I60-A63 PolarHBondContact O-N 3.27Å; A63-G65 VanDerWaalsContact C-N 3.34Å; A63-C66 PolarHBondContact O-N 3.49Å; A63-L67 PolarHBondContact O-N 3.28Å |
| 64 | L | 95.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 51.9 Ų | 51.9 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 173.5 | -70.2 | 173.8 | 0 | 0 | 0 | 111.6 | L32 I60 M62 C66 L67 L68 I100 | L32-L64 HydrophobicContact CD1-CB 4.4Å; I60-L64 HydrophobicContact CG2-CD1 4.08Å; I60-L64 HydrophobicContact CG2-CG 4.44Å; I60-L64 WeakPolarHBondContact O-CG 3.24Å; I60-L64 PolarHBondContact O-N 3.08Å; M62-L64 PolarHBondContact O-N 3.24Å; L64-C66 PolarHBondContact O-N 3.37Å; L64-L67 WeakPolarHBondContact O-CB 3.34Å; L64-L67 PolarHBondContact O-N 2.98Å; L64-L68 PolarHBondContact O-N 3.39Å; L64-I100 HydrophobicContact CD2-CG2 4.46Å |
| 65 | G | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G29 M61 M62 A63 L67 L68 F69 | G29-G65 WeakPolarHBondContact CA-O 3.31Å; M61-G65 PolarHBondContact O-N 2.74Å; M62-G65 PolarHBondContact O-N 3.15Å; A63-G65 VanDerWaalsContact C-N 3.34Å; G65-L67 VanDerWaalsContact C-N 3.33Å; G65-L67 PolarHBondContact O-N 2.88Å; G65-L68 PolarHBondContact O-N 2.84Å; G65-F69 WeakPolarHBondContact O-CB 3.47Å; G65-F69 PolarHBondContact O-N 2.94Å |
| 66 | C | 98 | Very high | 95.6 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 174.9 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | M62 A63 L64 S70 | M62-C66 PolarHBondContact O-N 2.94Å; M62-C66 PolarHBondContact O-SG 2.91Å; M62-C66 VanDerWaalsContact O-SG 3.37Å; A63-C66 PolarHBondContact O-N 3.49Å; L64-C66 PolarHBondContact O-N 3.37Å; C66-S70 WeakPolarHBondContact O-CB 3.36Å; C66-S70 PolarHBondContact O-N 3.27Å; C66-S70 PolarHBondContact O-OG 3.34Å |
| 67 | L | 96.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 176.1 | -178.7 | 64.7 | 0 | 0 | 0 | 111.2 | A63 L64 G65 S70 L71 A97 I100 | A63-L67 PolarHBondContact O-N 3.28Å; L64-L67 WeakPolarHBondContact O-CB 3.34Å; L64-L67 PolarHBondContact O-N 2.98Å; G65-L67 VanDerWaalsContact C-N 3.33Å; G65-L67 PolarHBondContact O-N 2.88Å; L67-S70 PolarHBondContact O-N 3.21Å; L67-L71 HydrophobicContact CG-CD1 4.44Å; L67-L71 WeakPolarHBondContact O-CG 3.31Å; L67-L71 PolarHBondContact O-N 2.84Å; L67-A97 HydrophobicContact CD2-CB 4.14Å; L67-I100 HydrophobicContact CD2-CD1 3.9Å |
| 68 | L | 96.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 178 | -68.9 | -177.4 | 0 | 0 | 0 | 112.5 | F28 L32 L64 G65 S70 L71 G72 | F28-L68 HydrophobicContact CB-CD1 4.19Å; L32-L68 HydrophobicContact CD1-CD1 3.87Å; L64-L68 PolarHBondContact O-N 3.39Å; G65-L68 PolarHBondContact O-N 2.84Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-S70 PolarHBondContact O-N 2.97Å; L68-L71 HydrophobicContact CD2-CD1 4.29Å; L68-L71 PolarHBondContact O-N 3.31Å; L68-G72 PolarHBondContact O-N 2.93Å |
| 69 | F | 98.1 | Very high | 96.5 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 37% | 0.373 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 174.4 | 175.7 | -92.9 | 0 | 0 | 0 | 111.5 | L26 I30 I33 G65 G72 S73 | L26-F69 HydrophobicContact CD1-CD2 3.44Å; L26-F69 VanDerWaalsContact CD1-CD2 3.44Å; L26-F69 HydrophobicContact CD1-CE2 3.61Å; L26-F69 HydrophobicContact CD1-CG 4.18Å; L26-F69 HydrophobicContact CD1-CZ 4.46Å; L26-F69 HydrophobicContact CG-CD2 4.47Å; I30-F69 HydrophobicContact CG1-CD2 3.95Å; I30-F69 HydrophobicContact CG1-CE2 4.33Å; I33-F69 HydrophobicContact CD1-CB 4.21Å; G65-F69 WeakPolarHBondContact O-CB 3.47Å; G65-F69 PolarHBondContact O-N 2.94Å; F69-G72 PolarHBondContact O-N 3.47Å; F69-S73 VanDerWaalsContact O-CB 3.29Å; F69-S73 WeakPolarHBondContact O-CB 3.37Å; F69-S73 PolarHBondContact O-N 3.37Å; F69-S73 PolarHBondContact O-OG 2.78Å |
| 70 | S | 97.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | C66 L67 L68 I74 | C66-S70 WeakPolarHBondContact O-CB 3.36Å; C66-S70 PolarHBondContact O-N 3.27Å; C66-S70 PolarHBondContact O-OG 3.34Å; L67-S70 PolarHBondContact O-N 3.21Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-S70 PolarHBondContact O-N 2.97Å; S70-I74 VanDerWaalsContact O-CB 3.3Å; S70-I74 WeakPolarHBondContact O-CB 3.07Å; S70-I74 VanDerWaalsContact O-CG1 3.27Å; S70-I74 WeakPolarHBondContact O-CG1 3.42Å; S70-I74 PolarHBondContact O-N 3.1Å |
| 71 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.9 | -51.7 | 173.9 | -77.6 | 170.4 | 0 | 0 | 0 | 111.9 | N22 L67 L68 G75 Y90 L93 L94 A97 | N22-L71 PolarHBondContact OD1-O 3.29Å; L67-L71 HydrophobicContact CG-CD1 4.44Å; L67-L71 WeakPolarHBondContact O-CG 3.31Å; L67-L71 PolarHBondContact O-N 2.84Å; L68-L71 HydrophobicContact CD2-CD1 4.29Å; L68-L71 PolarHBondContact O-N 3.31Å; L71-G75 PolarHBondContact O-N 3.03Å; L71-Y90 HydrophobicContact CD2-CE2 4.43Å; L71-Y90 WeakPolarHBondContact O-CE2 3.45Å; L71-L93 HydrophobicContact CD2-CB 3.55Å; L71-L93 HydrophobicContact CG-CB 4.46Å; L71-L94 HydrophobicContact CD2-CD2 3.77Å; L71-L94 HydrophobicContact CD2-CG 3.91Å; L71-A97 HydrophobicContact CD1-CB 3.75Å |
| 72 | G | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N22 L68 F69 G75 I76 | N22-G72 VanDerWaalsContact O-CA 3.24Å; N22-G72 WeakPolarHBondContact O-CA 3.37Å; L68-G72 PolarHBondContact O-N 2.93Å; F69-G72 PolarHBondContact O-N 3.47Å; G72-G75 PolarHBondContact O-N 3.05Å; G72-I76 VanDerWaalsContact O-CG1 3.31Å; G72-I76 WeakPolarHBondContact O-CG1 3.31Å; G72-I76 PolarHBondContact O-N 2.99Å |
| 73 | S | 97.6 | Very high | 96 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -49 | -179.2 | -60 | 0 | 0 | 0 | 0 | 112.2 | L26 F69 I76 L77 | L26-S73 VanDerWaalsContact CD1-OG 3.29Å; L26-S73 WeakPolarHBondContact CD1-OG 3.42Å; F69-S73 VanDerWaalsContact O-CB 3.29Å; F69-S73 WeakPolarHBondContact O-CB 3.37Å; F69-S73 PolarHBondContact O-N 3.37Å; F69-S73 PolarHBondContact O-OG 2.78Å; S73-I76 PolarHBondContact O-N 3.42Å; S73-L77 WeakPolarHBondContact O-CB 3.24Å; S73-L77 PolarHBondContact O-N 3.39Å |
| 74 | I | 98 | Very high | 95.9 | Very high | 39 Ų | 39 | 48.9 Ų | 48.9 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.5 | -36.3 | -179.3 | -66.1 | 167.7 | 0 | 0 | 0 | 110.5 | S70 L77 F78 I86 I89 Y90 L93 | S70-I74 VanDerWaalsContact O-CB 3.3Å; S70-I74 WeakPolarHBondContact O-CB 3.07Å; S70-I74 VanDerWaalsContact O-CG1 3.27Å; S70-I74 WeakPolarHBondContact O-CG1 3.42Å; S70-I74 PolarHBondContact O-N 3.1Å; I74-L77 PolarHBondContact O-N 3.37Å; I74-F78 WeakPolarHBondContact O-CB 3.42Å; I74-F78 PolarHBondContact O-N 2.87Å; I74-I86 HydrophobicContact CG2-CG2 4Å; I74-I89 HydrophobicContact CD1-CG2 4.19Å; I74-I89 HydrophobicContact CG2-CG2 4.44Å; I74-Y90 HydrophobicContact CG2-CD2 4.44Å; I74-L93 HydrophobicContact CD1-CD1 3.32Å |
| 75 | G | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L71 G72 F78 V79 | L71-G75 PolarHBondContact O-N 3.03Å; G72-G75 PolarHBondContact O-N 3.05Å; G75-F78 WeakPolarHBondContact O-CB 3.39Å; G75-F78 PolarHBondContact O-N 3.31Å; G75-V79 WeakPolarHBondContact O-CG2 3.45Å; G75-V79 PolarHBondContact O-N 3.24Å |
| 76 | I | 97.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 174.5 | -67 | 166.7 | 0 | 0 | 0 | 110.6 | N22 L26 G72 S73 F78 V79 L80 | N22-I76 HydrophobicContact CB-CG1 3.95Å; L26-I76 HydrophobicContact CD2-CD1 4.22Å; G72-I76 VanDerWaalsContact O-CG1 3.31Å; G72-I76 WeakPolarHBondContact O-CG1 3.31Å; G72-I76 PolarHBondContact O-N 2.99Å; S73-I76 PolarHBondContact O-N 3.42Å; I76-F78 VanDerWaalsContact C-N 3.27Å; I76-F78 PolarHBondContact O-N 3.47Å; I76-V79 PolarHBondContact O-N 3.44Å; I76-V79 VanDerWaalsContact O-N 3.1Å; I76-L80 HydrophobicContact CG2-CD1 3.92Å; I76-L80 HydrophobicContact CG2-CG 4.28Å; I76-L80 WeakPolarHBondContact O-CG 3.28Å; I76-L80 PolarHBondContact O-N 3.48Å |
| 77 | L | 96.6 | Very high | 95.8 | Very high | 83 Ų | 83 | 52.7 Ų | 52.7 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.8 | -40 | 176.4 | -175.5 | 63.4 | 0 | 0 | 0 | 112 | S73 I74 L80 T81 I86 | S73-L77 WeakPolarHBondContact O-CB 3.24Å; S73-L77 PolarHBondContact O-N 3.39Å; I74-L77 PolarHBondContact O-N 3.37Å; L77-L80 PolarHBondContact O-N 3.49Å; L77-T81 HydrophobicContact CD1-CG2 3.93Å; L77-T81 HydrophobicContact CG-CG2 4.39Å; L77-T81 WeakPolarHBondContact O-CB 3.37Å; L77-T81 VanDerWaalsContact O-CG2 3.27Å; L77-T81 WeakPolarHBondContact O-CG2 3.35Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 3.31Å; L77-I86 HydrophobicContact CB-CG2 4.41Å; L77-I86 HydrophobicContact CD2-CD1 3.94Å; L77-I86 HydrophobicContact CD2-CG2 4.23Å; L77-I86 HydrophobicContact CG-CD1 3.87Å; L77-I86 HydrophobicContact CG-CG2 4.21Å |
| 78 | F | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 173 | 158.3 | -118.4 | 0 | 0 | 0 | 110.9 | L18 I74 G75 I76 L80 T81 G82 I86 N87 Y90 M218 L219 | L18-F78 HydrophobicContact CD1-CE1 3.85Å; I74-F78 WeakPolarHBondContact O-CB 3.42Å; I74-F78 PolarHBondContact O-N 2.87Å; G75-F78 WeakPolarHBondContact O-CB 3.39Å; G75-F78 PolarHBondContact O-N 3.31Å; I76-F78 VanDerWaalsContact C-N 3.27Å; I76-F78 PolarHBondContact O-N 3.47Å; F78-L80 VanDerWaalsContact C-N 3.33Å; F78-L80 PolarHBondContact O-N 3.29Å; F78-T81 PolarHBondContact O-N 3Å; F78-G82 WeakPolarHBondContact O-CA 3.43Å; F78-G82 PolarHBondContact O-N 3.23Å; F78-I86 HydrophobicContact CB-CG2 3.92Å; F78-N87 HydrophobicContact CD2-CB 3.58Å; F78-N87 WeakPolarHBondContact CE1-OD1 3.42Å; F78-N87 HydrophobicContact CE2-CB 3.59Å; F78-N87 HydrophobicContact CG-CB 4.21Å; F78-N87 HydrophobicContact CZ-CB 4.2Å; F78-N87 VanDerWaalsContact CZ-OD1 3.27Å; F78-N87 WeakPolarHBondContact CZ-OD1 3.22Å; F78-Y90 HydrophobicContact CD1-CD1 4.39Å; F78-M218 HydrophobicContact CE1-SD 4Å; F78-M218 HydrophobicContact CZ-CB 4.24Å; F78-M218 HydrophobicContact CZ-CG 4.36Å; F78-M218 HydrophobicContact CZ-SD 3.92Å; F78-L219 HydrophobicContact CE2-CD2 3.71Å; F78-L219 HydrophobicContact CE2-CG 3.87Å; F78-L219 HydrophobicContact CZ-CD2 4.42Å; F78-L219 HydrophobicContact CZ-CG 4.16Å |
| 79 | V | 94.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | -179.4 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | K15 L18 I19 G75 I76 M218 | K15-V79 HydrophobicContact CD-CG1 4.41Å; K15-V79 HydrophobicContact CG-CG1 3.64Å; L18-V79 HydrophobicContact CB-CG2 3.64Å; L18-V79 HydrophobicContact CD1-CG2 4.08Å; I19-V79 HydrophobicContact CD1-CG1 3.9Å; I19-V79 HydrophobicContact CG1-CB 4.44Å; I19-V79 HydrophobicContact CG1-CG1 3.75Å; G75-V79 WeakPolarHBondContact O-CG2 3.45Å; G75-V79 PolarHBondContact O-N 3.24Å; I76-V79 PolarHBondContact O-N 3.44Å; I76-V79 VanDerWaalsContact O-N 3.1Å; V79-M218 HydrophobicContact CG1-CE 4.16Å; V79-M218 HydrophobicContact CG2-SD 4.27Å |
| 80 | L | 92.2 | Very high | 95.9 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | -179.6 | -67.3 | 175.6 | 0 | 0 | 0 | 112.3 | I76 L77 F78 F231 | I76-L80 HydrophobicContact CG2-CD1 3.92Å; I76-L80 HydrophobicContact CG2-CG 4.28Å; I76-L80 WeakPolarHBondContact O-CG 3.28Å; I76-L80 PolarHBondContact O-N 3.48Å; L77-L80 PolarHBondContact O-N 3.49Å; F78-L80 VanDerWaalsContact C-N 3.33Å; F78-L80 PolarHBondContact O-N 3.29Å; L80-F231 WeakPolarHBondContact O-CZ 3.34Å |
| 81 | T | 91.2 | Very high | 95.9 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 28% | 0.282 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -91.3 | -28.6 | -174.1 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | L77 F78 R83 I86 | L77-T81 HydrophobicContact CD1-CG2 3.93Å; L77-T81 HydrophobicContact CG-CG2 4.39Å; L77-T81 WeakPolarHBondContact O-CB 3.37Å; L77-T81 VanDerWaalsContact O-CG2 3.27Å; L77-T81 WeakPolarHBondContact O-CG2 3.35Å; L77-T81 PolarHBondContact O-N 2.91Å; L77-T81 PolarHBondContact O-OG1 3.31Å; F78-T81 PolarHBondContact O-N 3Å; T81-R83 PolarHBondContact O-N 2.97Å; T81-R83 PolarHBondContact OG1-N 3.19Å; T81-I86 HydrophobicContact CG2-CD1 4.18Å; T81-I86 WeakPolarHBondContact OG1-CD1 3.41Å |
| 82 | G | 90.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | trans | 60.3 | 21.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | F78 | F78-G82 WeakPolarHBondContact O-CA 3.43Å; F78-G82 PolarHBondContact O-N 3.23Å | ||
| 83 | R | 92.3 | Very high | 95.8 | Very high | 169 Ų | 169 | 57.6 Ų | 57.6 | 64% | 0.638 | 29% | 0.292 | S | S | * | . | trans | -85.2 | 129.3 | -175.8 | -72.1 | 179 | -178.4 | -167.6 | 2.2 | 111.5 | T81 K85 I86 N87 | T81-R83 PolarHBondContact O-N 2.97Å; T81-R83 PolarHBondContact OG1-N 3.19Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 3.43Å; R83-I86 HydrophobicContact CB-CD1 4.23Å; R83-I86 HydrophobicContact CB-CG1 4.04Å; R83-I86 PolarHBondContact O-N 3.33Å; R83-I86 VanDerWaalsContact O-N 3.16Å; R83-N87 PolarHBondContact O-N 2.76Å | ||
| 84 | R | 94.5 | Very high | 95.8 | Very high | 156 Ų | 156 | 55.6 Ų | 55.6 | 59% | 0.589 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.4 | -39.9 | 178.7 | -64.3 | -171.8 | -165.6 | 169.5 | 12.6 | 113.6 | I86 N87 A88 L219 | R84-I86 VanDerWaalsContact C-N 3.3Å; R84-I86 PolarHBondContact O-N 3.5Å; R84-N87 PolarHBondContact O-N 2.88Å; R84-A88 PolarHBondContact O-N 3.33Å; R84-L219 HydrophobicContact CB-CD1 4.42Å; R84-L219 HydrophobicContact CG-CD1 4.16Å; R84-L219 HydrophobicContact CG-CD2 3.91Å |
| 85 | K | 96.6 | Very high | 95.8 | Very high | 181 Ų | 181 | 58.3 Ų | 58.3 | 79% | 0.787 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.6 | -38.4 | 179 | -67.9 | -174.8 | 179.2 | -175.5 | 0 | 112.3 | R83 A88 I89 | R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 3.43Å; K85-A88 PolarHBondContact O-N 3.03Å; K85-I89 PolarHBondContact O-N 3.22Å |
| 86 | I | 96.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 61.3 Ų | 61.3 | 14% | 0.144 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.2 | -41.8 | -179.8 | -54.7 | -171.2 | 0 | 0 | 0 | 110.4 | I74 L77 F78 T81 R83 R84 A88 I89 Y90 | I74-I86 HydrophobicContact CG2-CG2 4Å; L77-I86 HydrophobicContact CB-CG2 4.41Å; L77-I86 HydrophobicContact CD2-CD1 3.94Å; L77-I86 HydrophobicContact CD2-CG2 4.23Å; L77-I86 HydrophobicContact CG-CD1 3.87Å; L77-I86 HydrophobicContact CG-CG2 4.21Å; F78-I86 HydrophobicContact CB-CG2 3.92Å; T81-I86 HydrophobicContact CG2-CD1 4.18Å; T81-I86 WeakPolarHBondContact OG1-CD1 3.41Å; R83-I86 HydrophobicContact CB-CD1 4.23Å; R83-I86 HydrophobicContact CB-CG1 4.04Å; R83-I86 PolarHBondContact O-N 3.33Å; R83-I86 VanDerWaalsContact O-N 3.16Å; R84-I86 VanDerWaalsContact C-N 3.3Å; R84-I86 PolarHBondContact O-N 3.5Å; I86-A88 VanDerWaalsContact C-N 3.27Å; I86-A88 PolarHBondContact O-N 3.49Å; I86-I89 PolarHBondContact O-N 3.01Å; I86-Y90 WeakPolarHBondContact O-CB 3.48Å; I86-Y90 PolarHBondContact O-N 2.88Å |
| 87 | N | 96.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 172.1 | -171 | 76.5 | 0 | 0 | 0 | 112.3 | F78 R83 R84 Y90 T91 L219 | F78-N87 HydrophobicContact CD2-CB 3.58Å; F78-N87 WeakPolarHBondContact CE1-OD1 3.42Å; F78-N87 HydrophobicContact CE2-CB 3.59Å; F78-N87 HydrophobicContact CG-CB 4.21Å; F78-N87 HydrophobicContact CZ-CB 4.2Å; F78-N87 VanDerWaalsContact CZ-OD1 3.27Å; F78-N87 WeakPolarHBondContact CZ-OD1 3.22Å; R83-N87 PolarHBondContact O-N 2.76Å; R84-N87 PolarHBondContact O-N 2.88Å; N87-Y90 WeakPolarHBondContact O-CB 3.46Å; N87-Y90 PolarHBondContact O-N 3.42Å; N87-T91 PolarHBondContact ND2-OG1 3.45Å; N87-T91 WeakPolarHBondContact O-CB 3.42Å; N87-T91 PolarHBondContact O-N 3.38Å; N87-T91 PolarHBondContact O-OG1 2.88Å; N87-L219 HydrophobicContact CB-CD1 3.59Å; N87-L219 HydrophobicContact CB-CD2 4.44Å; N87-L219 HydrophobicContact CB-CG 4.14Å; N87-L219 WeakPolarHBondContact ND2-CD1 3.4Å |
| 88 | A | 97.2 | Very high | 95.7 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R84 K85 I86 Y90 T91 V92 | R84-A88 PolarHBondContact O-N 3.33Å; K85-A88 PolarHBondContact O-N 3.03Å; I86-A88 VanDerWaalsContact C-N 3.27Å; I86-A88 PolarHBondContact O-N 3.49Å; A88-Y90 VanDerWaalsContact C-N 3.35Å; A88-T91 PolarHBondContact O-N 2.91Å; A88-V92 WeakPolarHBondContact O-CG2 3.26Å; A88-V92 PolarHBondContact O-N 3.36Å |
| 89 | I | 97.5 | Very high | 95.7 | Very high | 96 Ų | 96 | 59.1 Ų | 59.1 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 174.3 | -62.2 | 168.2 | 0 | 0 | 0 | 110.4 | I74 K85 I86 T91 V92 L93 | I74-I89 HydrophobicContact CD1-CG2 4.19Å; I74-I89 HydrophobicContact CG2-CG2 4.44Å; K85-I89 PolarHBondContact O-N 3.22Å; I86-I89 PolarHBondContact O-N 3.01Å; I89-T91 PolarHBondContact O-N 2.86Å; I89-V92 PolarHBondContact O-N 3.19Å; I89-L93 HydrophobicContact CG2-CD1 4.15Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 3.08Å |
| 90 | Y | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.7 | -47.6 | 176.6 | -179.8 | -122.4 | 0 | 0 | 0 | 112.5 | N22 L71 I74 F78 I86 N87 A88 L93 L94 S211 | N22-Y90 PolarHBondContact ND2-OH 2.98Å; N22-Y90 VanDerWaalsContact ND2-OH 3.08Å; N22-Y90 WeakPolarHBondContact OD1-CE2 3.37Å; N22-Y90 PolarHBondContact OD1-OH 3.44Å; L71-Y90 HydrophobicContact CD2-CE2 4.43Å; L71-Y90 WeakPolarHBondContact O-CE2 3.45Å; I74-Y90 HydrophobicContact CG2-CD2 4.44Å; F78-Y90 HydrophobicContact CD1-CD1 4.39Å; I86-Y90 WeakPolarHBondContact O-CB 3.48Å; I86-Y90 PolarHBondContact O-N 2.88Å; N87-Y90 WeakPolarHBondContact O-CB 3.46Å; N87-Y90 PolarHBondContact O-N 3.42Å; A88-Y90 VanDerWaalsContact C-N 3.35Å; Y90-L93 PolarHBondContact O-N 3.36Å; Y90-L94 HydrophobicContact CD1-CD1 3.91Å; Y90-L94 HydrophobicContact CD2-CD1 4.44Å; Y90-L94 HydrophobicContact CD2-CG 4.39Å; Y90-L94 HydrophobicContact CE1-CD1 3.42Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.42Å; Y90-L94 HydrophobicContact CE1-CG 4.33Å; Y90-L94 HydrophobicContact CE2-CD1 4.01Å; Y90-L94 HydrophobicContact CE2-CD2 4.32Å; Y90-L94 HydrophobicContact CE2-CG 4.04Å; Y90-L94 HydrophobicContact CG-CD1 4.39Å; Y90-L94 VanDerWaalsContact CZ-CD1 3.49Å; Y90-L94 WeakPolarHBondContact O-CG 3.2Å; Y90-L94 PolarHBondContact O-N 2.88Å; Y90-S211 WeakPolarHBondContact OH-CB 3.36Å |
| 91 | T | 97.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 58 Ų | 58 | 16% | 0.16 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | N87 A88 I89 L93 L94 I95 | N87-T91 PolarHBondContact ND2-OG1 3.45Å; N87-T91 WeakPolarHBondContact O-CB 3.42Å; N87-T91 PolarHBondContact O-N 3.38Å; N87-T91 PolarHBondContact O-OG1 2.88Å; A88-T91 PolarHBondContact O-N 2.91Å; I89-T91 PolarHBondContact O-N 2.86Å; T91-L93 VanDerWaalsContact C-N 3.34Å; T91-L93 PolarHBondContact O-N 2.93Å; T91-L94 PolarHBondContact O-N 2.84Å; T91-I95 HydrophobicContact CG2-CD1 4.05Å; T91-I95 VanDerWaalsContact O-CG1 3.31Å; T91-I95 WeakPolarHBondContact O-CG1 3.48Å; T91-I95 PolarHBondContact O-N 2.92Å |
| 92 | V | 97.7 | Very high | 96.1 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | A88 I89 L94 I95 V96 | A88-V92 WeakPolarHBondContact O-CG2 3.26Å; A88-V92 PolarHBondContact O-N 3.36Å; I89-V92 PolarHBondContact O-N 3.19Å; V92-L94 PolarHBondContact O-N 3.39Å; V92-I95 PolarHBondContact O-N 2.82Å; V92-V96 WeakPolarHBondContact O-CG2 3.4Å; V92-V96 PolarHBondContact O-N 2.95Å |
| 93 | L | 97 | Very high | 96.4 | Very high | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 177.4 | -71.1 | 172.6 | 0 | 0 | 0 | 112.5 | L71 I74 I89 Y90 T91 I95 V96 A97 | L71-L93 HydrophobicContact CD2-CB 3.55Å; L71-L93 HydrophobicContact CG-CB 4.46Å; I74-L93 HydrophobicContact CD1-CD1 3.32Å; I89-L93 HydrophobicContact CG2-CD1 4.15Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 3.08Å; Y90-L93 PolarHBondContact O-N 3.36Å; T91-L93 VanDerWaalsContact C-N 3.34Å; T91-L93 PolarHBondContact O-N 2.93Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 PolarHBondContact O-N 3.37Å; L93-V96 PolarHBondContact O-N 3Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 3.22Å |
| 94 | L | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 175.2 | -76.1 | 174 | 0 | 0 | 0 | 111.5 | L71 Y90 T91 V92 A97 A98 E208 M212 | L71-L94 HydrophobicContact CD2-CD2 3.77Å; L71-L94 HydrophobicContact CD2-CG 3.91Å; Y90-L94 HydrophobicContact CD1-CD1 3.91Å; Y90-L94 HydrophobicContact CD2-CD1 4.44Å; Y90-L94 HydrophobicContact CD2-CG 4.39Å; Y90-L94 HydrophobicContact CE1-CD1 3.42Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.42Å; Y90-L94 HydrophobicContact CE1-CG 4.33Å; Y90-L94 HydrophobicContact CE2-CD1 4.01Å; Y90-L94 HydrophobicContact CE2-CD2 4.32Å; Y90-L94 HydrophobicContact CE2-CG 4.04Å; Y90-L94 HydrophobicContact CG-CD1 4.39Å; Y90-L94 VanDerWaalsContact CZ-CD1 3.49Å; Y90-L94 WeakPolarHBondContact O-CG 3.2Å; Y90-L94 PolarHBondContact O-N 2.88Å; T91-L94 PolarHBondContact O-N 2.84Å; V92-L94 PolarHBondContact O-N 3.39Å; L94-A97 PolarHBondContact O-N 3.24Å; L94-A98 VanDerWaalsContact O-CB 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.42Å; L94-A98 PolarHBondContact O-N 3.47Å; L94-E208 HydrophobicContact CD2-CB 4.14Å; L94-E208 HydrophobicContact CD2-CG 4.07Å; L94-M212 HydrophobicContact CB-CE 3.49Å; L94-M212 VanDerWaalsContact CB-CE 3.49Å; L94-M212 HydrophobicContact CB-CG 3.82Å; L94-M212 HydrophobicContact CB-SD 4.46Å; L94-M212 HydrophobicContact CD1-CB 4.34Å; L94-M212 HydrophobicContact CD1-CG 3.54Å; L94-M212 HydrophobicContact CG-CG 4.32Å; L94-M212 WeakPolarHBondContact O-CE 3.24Å |
| 95 | I | 97.3 | Very high | 96.5 | Very high | 96 Ų | 96 | 52.6 Ų | 52.6 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 177.3 | -69.9 | 165.7 | 0 | 0 | 0 | 110.3 | T91 V92 L93 A98 S99 M212 | T91-I95 HydrophobicContact CG2-CD1 4.05Å; T91-I95 VanDerWaalsContact O-CG1 3.31Å; T91-I95 WeakPolarHBondContact O-CG1 3.48Å; T91-I95 PolarHBondContact O-N 2.92Å; V92-I95 PolarHBondContact O-N 2.82Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 PolarHBondContact O-N 3.37Å; I95-A98 PolarHBondContact O-N 2.9Å; I95-S99 WeakPolarHBondContact O-CB 3.48Å; I95-S99 PolarHBondContact O-N 3.3Å; I95-S99 PolarHBondContact O-OG 3.34Å; I95-M212 HydrophobicContact CG1-CE 3.99Å; I95-M212 HydrophobicContact CG1-SD 4.32Å |
| 96 | V | 96.5 | Very high | 96.5 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 38% | 0.382 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | V92 L93 A98 S99 I100 | V92-V96 WeakPolarHBondContact O-CG2 3.4Å; V92-V96 PolarHBondContact O-N 2.95Å; L93-V96 PolarHBondContact O-N 3Å; V96-A98 PolarHBondContact O-N 3.33Å; V96-S99 PolarHBondContact O-N 3.4Å; V96-S99 PolarHBondContact O-OG 2.99Å; V96-I100 HydrophobicContact CG1-CD1 3.91Å; V96-I100 WeakPolarHBondContact O-CG1 3.27Å; V96-I100 PolarHBondContact O-N 2.68Å |
| 97 | A | 96.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L67 L71 L93 L94 S99 I100 G101 | L67-A97 HydrophobicContact CD2-CB 4.14Å; L71-A97 HydrophobicContact CD1-CB 3.75Å; L93-A97 WeakPolarHBondContact O-CB 3.37Å; L93-A97 PolarHBondContact O-N 3.22Å; L94-A97 PolarHBondContact O-N 3.24Å; A97-S99 VanDerWaalsContact C-N 3.32Å; A97-S99 PolarHBondContact O-N 2.93Å; A97-I100 PolarHBondContact O-N 2.77Å; A97-G101 PolarHBondContact O-N 3.48Å |
| 98 | A | 96.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L94 I95 V96 G101 I102 L205 E208 M212 | L94-A98 VanDerWaalsContact O-CB 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.42Å; L94-A98 PolarHBondContact O-N 3.47Å; I95-A98 PolarHBondContact O-N 2.9Å; V96-A98 PolarHBondContact O-N 3.33Å; A98-G101 PolarHBondContact O-N 2.96Å; A98-I102 VanDerWaalsContact O-CG1 3.28Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 2.92Å; A98-L205 HydrophobicContact CB-CD2 4.08Å; A98-E208 WeakPolarHBondContact CA-OE2 2.99Å; A98-E208 WeakPolarHBondContact CB-OE2 3.36Å; A98-E208 PolarHBondContact N-OE2 3.37Å; A98-M212 HydrophobicContact CB-CE 4.17Å |
| 99 | S | 96.1 | Very high | 95.9 | Very high | 59 Ų | 59 | 50.5 Ų | 50.5 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -43 | 177.2 | 74.8 | 0 | 0 | 0 | 0 | 112.3 | I95 V96 A97 I102 V103 | I95-S99 WeakPolarHBondContact O-CB 3.48Å; I95-S99 PolarHBondContact O-N 3.3Å; I95-S99 PolarHBondContact O-OG 3.34Å; V96-S99 PolarHBondContact O-N 3.4Å; V96-S99 PolarHBondContact O-OG 2.99Å; A97-S99 VanDerWaalsContact C-N 3.32Å; A97-S99 PolarHBondContact O-N 2.93Å; S99-I102 PolarHBondContact O-N 3.44Å; S99-V103 WeakPolarHBondContact O-CG2 3.37Å; S99-V103 PolarHBondContact O-N 3.44Å |
| 100 | I | 95.4 | Very high | 95.6 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 174.4 | -67.3 | 167.3 | 0 | 0 | 0 | 109.6 | L64 L67 V96 A97 I102 V103 V104 | L64-I100 HydrophobicContact CD2-CG2 4.46Å; L67-I100 HydrophobicContact CD2-CD1 3.9Å; V96-I100 HydrophobicContact CG1-CD1 3.91Å; V96-I100 WeakPolarHBondContact O-CG1 3.27Å; V96-I100 PolarHBondContact O-N 2.68Å; A97-I100 PolarHBondContact O-N 2.77Å; I100-I102 PolarHBondContact O-N 3.13Å; I100-V103 PolarHBondContact O-N 3.16Å; I100-V104 HydrophobicContact CG2-CG2 4.25Å; I100-V104 VanDerWaalsContact O-CG2 3.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.34Å; I100-V104 PolarHBondContact O-N 3.2Å |
| 101 | G | 95.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57 | -46.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A97 A98 V104 I105 | A97-G101 PolarHBondContact O-N 3.48Å; A98-G101 PolarHBondContact O-N 2.96Å; G101-V104 PolarHBondContact O-N 3.47Å; G101-I105 VanDerWaalsContact O-CG1 3.29Å; G101-I105 WeakPolarHBondContact O-CG1 3.45Å; G101-I105 PolarHBondContact O-N 3.01Å |
| 102 | I | 96.1 | Very high | 94.6 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 177 | -67.8 | 163.8 | 0 | 0 | 0 | 111.1 | A98 S99 I100 V104 I105 V106 L205 | A98-I102 VanDerWaalsContact O-CG1 3.28Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 2.92Å; S99-I102 PolarHBondContact O-N 3.44Å; I100-I102 PolarHBondContact O-N 3.13Å; I102-V104 VanDerWaalsContact C-N 3.32Å; I102-V104 PolarHBondContact O-N 3.31Å; I102-I105 PolarHBondContact O-N 3.41Å; I102-V106 HydrophobicContact CG2-CG2 4.47Å; I102-V106 WeakPolarHBondContact O-CG2 3.36Å; I102-V106 PolarHBondContact O-N 2.88Å; I102-L205 HydrophobicContact CG1-CD1 3.94Å; I102-L205 HydrophobicContact CG1-CD2 4.2Å |
| 103 | V | 96.1 | Very high | 94 | Very high | 94 Ų | 94 | 60.8 Ų | 60.8 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | S99 I100 V106 T107 | S99-V103 WeakPolarHBondContact O-CG2 3.37Å; S99-V103 PolarHBondContact O-N 3.44Å; I100-V103 PolarHBondContact O-N 3.16Å; V103-V106 PolarHBondContact O-N 3.36Å; V103-T107 WeakPolarHBondContact O-CB 3.15Å; V103-T107 PolarHBondContact O-N 3.3Å; V103-T107 PolarHBondContact O-OG1 2.88Å |
| 104 | V | 94.6 | Very high | 93.4 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 177 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | I100 G101 I102 V106 T107 T108 L201 | I100-V104 HydrophobicContact CG2-CG2 4.25Å; I100-V104 VanDerWaalsContact O-CG2 3.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.34Å; I100-V104 PolarHBondContact O-N 3.2Å; G101-V104 PolarHBondContact O-N 3.47Å; I102-V104 VanDerWaalsContact C-N 3.32Å; I102-V104 PolarHBondContact O-N 3.31Å; V104-V106 PolarHBondContact O-N 3.01Å; V104-T107 PolarHBondContact O-N 2.98Å; V104-T108 WeakPolarHBondContact O-CB 3.44Å; V104-T108 PolarHBondContact O-N 3.17Å; V104-T108 PolarHBondContact O-OG1 3.08Å; V104-L201 HydrophobicContact CB-CD1 3.96Å; V104-L201 HydrophobicContact CG1-CD1 3.44Å; V104-L201 VanDerWaalsContact CG1-CD1 3.44Å |
| 105 | I | 95.2 | Very high | 92.4 | Very high | 32 Ų | 32 | 66 Ų | 66 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 176.8 | -70.7 | 170.9 | 0 | 0 | 0 | 110.5 | G101 I102 T107 T108 C109 L201 L205 | G101-I105 VanDerWaalsContact O-CG1 3.29Å; G101-I105 WeakPolarHBondContact O-CG1 3.45Å; G101-I105 PolarHBondContact O-N 3.01Å; I102-I105 PolarHBondContact O-N 3.41Å; I105-T107 PolarHBondContact O-N 3.19Å; I105-T108 PolarHBondContact O-N 3.48Å; I105-C109 WeakPolarHBondContact O-CB 3.3Å; I105-C109 PolarHBondContact O-N 3.45Å; I105-C109 PolarHBondContact O-SG 3.05Å; I105-L201 HydrophobicContact CD1-CB 3.77Å; I105-L201 HydrophobicContact CG1-CB 3.64Å; I105-L201 HydrophobicContact CG1-CD1 3.93Å; I105-L201 HydrophobicContact CG1-CG 4.46Å; I105-L205 HydrophobicContact CD1-CD1 3.46Å; I105-L205 VanDerWaalsContact CD1-CD1 3.46Å; I105-L205 HydrophobicContact CD1-CG 4.36Å |
| 106 | V | 95.5 | Very high | 91.2 | Very high | 76 Ų | 76 | 63.6 Ų | 63.6 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | -179.7 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | I102 V103 V104 T108 C109 M110 | I102-V106 HydrophobicContact CG2-CG2 4.47Å; I102-V106 WeakPolarHBondContact O-CG2 3.36Å; I102-V106 PolarHBondContact O-N 2.88Å; V103-V106 PolarHBondContact O-N 3.36Å; V104-V106 PolarHBondContact O-N 3.01Å; V106-T108 VanDerWaalsContact C-N 3.33Å; V106-T108 PolarHBondContact O-N 2.83Å; V106-C109 PolarHBondContact O-N 3.38Å; V106-M110 VanDerWaalsContact O-CG 3.28Å; V106-M110 WeakPolarHBondContact O-CG 3.38Å; V106-M110 PolarHBondContact O-N 3.06Å |
| 107 | T | 93.4 | Very high | 90.3 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | V103 V104 I105 M110 L111 | V103-T107 WeakPolarHBondContact O-CB 3.15Å; V103-T107 PolarHBondContact O-N 3.3Å; V103-T107 PolarHBondContact O-OG1 2.88Å; V104-T107 PolarHBondContact O-N 2.98Å; I105-T107 PolarHBondContact O-N 3.19Å; T107-M110 PolarHBondContact O-N 3.13Å; T107-L111 VanDerWaalsContact O-CB 3.27Å; T107-L111 WeakPolarHBondContact O-CB 3.27Å; T107-L111 PolarHBondContact O-N 2.87Å |
| 108 | T | 92.4 | Very high | 89.7 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 8% | 0.08 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 179 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | V104 I105 V106 L111 R112 L194 I197 I198 | V104-T108 WeakPolarHBondContact O-CB 3.44Å; V104-T108 PolarHBondContact O-N 3.17Å; V104-T108 PolarHBondContact O-OG1 3.08Å; I105-T108 PolarHBondContact O-N 3.48Å; V106-T108 VanDerWaalsContact C-N 3.33Å; V106-T108 PolarHBondContact O-N 2.83Å; T108-L111 PolarHBondContact O-N 2.92Å; T108-R112 WeakPolarHBondContact O-CB 3.48Å; T108-R112 PolarHBondContact O-N 3.06Å; T108-L194 HydrophobicContact CG2-CB 4.05Å; T108-L194 HydrophobicContact CG2-CD2 3.58Å; T108-L194 HydrophobicContact CG2-CG 4.37Å; T108-I197 HydrophobicContact CG2-CG2 4.34Å; T108-I198 HydrophobicContact CG2-CD1 3.91Å; T108-I198 HydrophobicContact CG2-CG1 3.67Å |
| 109 | C | 91.6 | Very high | 89.1 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 34% | 0.338 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 173.8 | -74.4 | 0 | 0 | 0 | 0 | 112 | I105 V106 R112 Q113 | I105-C109 WeakPolarHBondContact O-CB 3.3Å; I105-C109 PolarHBondContact O-N 3.45Å; I105-C109 PolarHBondContact O-SG 3.05Å; V106-C109 PolarHBondContact O-N 3.38Å; C109-R112 WeakPolarHBondContact O-CB 3.33Å; C109-R112 PolarHBondContact O-N 3.25Å; C109-Q113 PolarHBondContact O-N 3.09Å |
| 110 | M | 91.1 | Very high | 88.8 | Confident | 102 Ų | 102 | 71.7 Ų | 71.7 | 50% | 0.502 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 176.3 | -65.7 | -63.2 | 158.2 | 0 | 0 | 111.6 | V106 T107 Q113 K114 | V106-M110 VanDerWaalsContact O-CG 3.28Å; V106-M110 WeakPolarHBondContact O-CG 3.38Å; V106-M110 PolarHBondContact O-N 3.06Å; T107-M110 PolarHBondContact O-N 3.13Å; M110-Q113 PolarHBondContact O-N 3.22Å; M110-K114 PolarHBondContact O-N 3.41Å |
| 111 | L | 87.7 | Confident | 88.5 | Confident | 60 Ų | 60 | 73 Ų | 73 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 176.1 | -178 | 59.5 | 0 | 0 | 0 | 110.3 | T107 T108 Q113 K114 M115 M118 L194 | T107-L111 VanDerWaalsContact O-CB 3.27Å; T107-L111 WeakPolarHBondContact O-CB 3.27Å; T107-L111 PolarHBondContact O-N 2.87Å; T108-L111 PolarHBondContact O-N 2.92Å; L111-Q113 PolarHBondContact O-N 3.27Å; L111-K114 PolarHBondContact O-N 3.31Å; L111-M115 HydrophobicContact CD1-CE 4.28Å; L111-M115 HydrophobicContact CD1-SD 3.33Å; L111-M115 WeakPolarHBondContact CD1-SD 3.47Å; L111-M115 HydrophobicContact CD2-SD 4.36Å; L111-M115 HydrophobicContact CG-CE 4.22Å; L111-M115 HydrophobicContact CG-SD 3.45Å; L111-M115 WeakPolarHBondContact CG-SD 3.39Å; L111-M115 WeakPolarHBondContact O-CG 3.36Å; L111-M115 PolarHBondContact O-N 3.05Å; L111-M115 VanDerWaalsContact O-N 3.13Å; L111-M118 HydrophobicContact CD1-CE 3.68Å; L111-M118 HydrophobicContact CD1-SD 3.98Å; L111-L194 HydrophobicContact CD2-CD2 3.93Å; L111-L194 HydrophobicContact CG-CD1 4.37Å; L111-L194 HydrophobicContact CG-CD2 4.49Å |
| 112 | R | 87.2 | Confident | 88.2 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 41% | 0.408 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -52.3 | -39 | 177.9 | -165.4 | -177.4 | 171 | -170.9 | -5.1 | 113 | T108 C109 Q191 L194 | T108-R112 WeakPolarHBondContact O-CB 3.48Å; T108-R112 PolarHBondContact O-N 3.06Å; C109-R112 WeakPolarHBondContact O-CB 3.33Å; C109-R112 PolarHBondContact O-N 3.25Å; R112-Q191 VanDerWaalsContact NE-OE1 3.17Å; R112-Q191 PolarHBondContact O-NE2 2.68Å; R112-L194 HydrophobicContact CB-CD1 4.05Å; R112-L194 HydrophobicContact CG-CD1 4.3Å |
| 113 | Q | 85.9 | Confident | 87.9 | Confident | 157 Ų | 157 | 71.4 Ų | 71.4 | 73% | 0.734 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70.5 | -32 | 177.8 | -68.6 | 179 | -18.7 | 0 | 0 | 113.1 | C109 M110 L111 | C109-Q113 PolarHBondContact O-N 3.09Å; M110-Q113 PolarHBondContact O-N 3.22Å; L111-Q113 PolarHBondContact O-N 3.27Å |
| 114 | K | 83.8 | Confident | 87.7 | Confident | 146 Ų | 146 | 70.3 Ų | 70.3 | 64% | 0.635 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -88.5 | -12.9 | -176.7 | -66.5 | -177.2 | 179.5 | -178.1 | 0 | 114.2 | M110 L111 G116 M118 | M110-K114 PolarHBondContact O-N 3.41Å; L111-K114 PolarHBondContact O-N 3.31Å; K114-G116 VanDerWaalsContact C-N 3.31Å; K114-G116 PolarHBondContact O-N 3.24Å; K114-M118 HydrophobicContact CB-CE 4.45Å |
| 115 | M | 76.2 | Confident | 87.4 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.6 | -37.6 | -168.2 | -61.7 | -48.7 | -93.3 | 0 | 0 | 114.6 | L111 M117 M118 F119 N187 V190 L194 | L111-M115 HydrophobicContact CD1-CE 4.28Å; L111-M115 HydrophobicContact CD1-SD 3.33Å; L111-M115 WeakPolarHBondContact CD1-SD 3.47Å; L111-M115 HydrophobicContact CD2-SD 4.36Å; L111-M115 HydrophobicContact CG-CE 4.22Å; L111-M115 HydrophobicContact CG-SD 3.45Å; L111-M115 WeakPolarHBondContact CG-SD 3.39Å; L111-M115 WeakPolarHBondContact O-CG 3.36Å; L111-M115 PolarHBondContact O-N 3.05Å; L111-M115 VanDerWaalsContact O-N 3.13Å; M115-M117 PolarHBondContact O-N 3.29Å; M115-M118 PolarHBondContact O-N 3.43Å; M115-M118 HydrophobicContact SD-SD 4.3Å; M115-F119 HydrophobicContact CE-CD2 3.92Å; M115-F119 HydrophobicContact CE-CE2 3.13Å; M115-F119 HydrophobicContact CE-CZ 3.71Å; M115-N187 PolarHBondContact O-OD1 2.68Å; M115-V190 HydrophobicContact CE-CB 4.23Å; M115-V190 HydrophobicContact CE-CG1 3.28Å; M115-L194 HydrophobicContact CE-CD1 4.13Å; M115-L194 HydrophobicContact CG-CD1 3.73Å; M115-L194 HydrophobicContact SD-CD1 4.25Å |
| 116 | G | 72.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 46% | 0.464 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -50.3 | -37 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K114 N187 | K114-G116 VanDerWaalsContact C-N 3.31Å; K114-G116 PolarHBondContact O-N 3.24Å; G116-N187 PolarHBondContact O-ND2 3.39Å |
| 117 | M | 76.7 | Confident | 86.8 | Confident | 122 Ų | 122 | 66.6 Ų | 66.6 | 60% | 0.601 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -99.8 | -20.6 | 178.2 | -64.9 | -172 | -74.1 | 0 | 0 | 114.2 | M115 N121 | M115-M117 PolarHBondContact O-N 3.29Å; M117-N121 VanDerWaalsContact O-CG 3.23Å; M117-N121 PolarHBondContact O-N 3.49Å; M117-N121 VanDerWaalsContact O-N 3.16Å; M117-N121 PolarHBondContact O-ND2 2.89Å |
| 118 | M | 84.3 | Confident | 86.5 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -52.4 | -171.1 | -174.6 | -175.5 | -71.4 | 0 | 0 | 111.8 | L111 K114 M115 R120 N121 I122 | L111-M118 HydrophobicContact CD1-CE 3.68Å; L111-M118 HydrophobicContact CD1-SD 3.98Å; K114-M118 HydrophobicContact CB-CE 4.45Å; M115-M118 PolarHBondContact O-N 3.43Å; M115-M118 HydrophobicContact SD-SD 4.3Å; M118-R120 VanDerWaalsContact C-N 3.35Å; M118-R120 PolarHBondContact O-N 3.01Å; M118-N121 PolarHBondContact O-N 3.11Å; M118-I122 HydrophobicContact CG-CD1 3.76Å; M118-I122 HydrophobicContact CG-CG1 4.49Å; M118-I122 VanDerWaalsContact O-CG1 3.31Å; M118-I122 WeakPolarHBondContact O-CG1 3.38Å; M118-I122 PolarHBondContact O-N 3.25Å; M118-I122 HydrophobicContact SD-CD1 4.41Å |
| 119 | F | 84.1 | Confident | 86.2 | Confident | 31 Ų | 31 | 71.5 Ų | 71.5 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.1 | -37.3 | -178 | -79.7 | -61.8 | 0 | 0 | 0 | 112.9 | M115 N121 I122 I123 L186 N187 V190 | M115-F119 HydrophobicContact CE-CD2 3.92Å; M115-F119 HydrophobicContact CE-CE2 3.13Å; M115-F119 HydrophobicContact CE-CZ 3.71Å; F119-N121 VanDerWaalsContact C-N 3.29Å; F119-N121 PolarHBondContact O-N 2.85Å; F119-I122 HydrophobicContact CD1-CD1 4.32Å; F119-I122 PolarHBondContact O-N 3.42Å; F119-I123 VanDerWaalsContact O-CG1 3.28Å; F119-I123 WeakPolarHBondContact O-CG1 3.29Å; F119-I123 PolarHBondContact O-N 3.4Å; F119-L186 HydrophobicContact CB-CD2 4.23Å; F119-L186 HydrophobicContact CD1-CD2 3.32Å; F119-L186 HydrophobicContact CD1-CG 3.93Å; F119-L186 HydrophobicContact CD2-CD2 4.41Å; F119-L186 HydrophobicContact CD2-CG 4.15Å; F119-L186 HydrophobicContact CE1-CD2 3.67Å; F119-L186 HydrophobicContact CE1-CG 4.08Å; F119-L186 HydrophobicContact CE2-CG 4.23Å; F119-L186 HydrophobicContact CG-CD2 3.76Å; F119-L186 HydrophobicContact CG-CG 3.98Å; F119-L186 HydrophobicContact CZ-CD2 4.32Å; F119-L186 HydrophobicContact CZ-CG 4.24Å; F119-N187 WeakPolarHBondContact CD2-OD1 3.28Å; F119-V190 HydrophobicContact CE2-CB 3.62Å; F119-V190 HydrophobicContact CE2-CG1 3.71Å; F119-V190 HydrophobicContact CE2-CG2 3.51Å; F119-V190 HydrophobicContact CZ-CB 4.12Å; F119-V190 HydrophobicContact CZ-CG1 4.04Å; F119-V190 HydrophobicContact CZ-CG2 3.58Å |
| 120 | R | 90 | Very high | 85.8 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.5 | -49.3 | 173 | -171.1 | -180 | 66.7 | -164.7 | 3.4 | 110.8 | M118 I123 K124 A152 D153 A183 | M118-R120 VanDerWaalsContact C-N 3.35Å; M118-R120 PolarHBondContact O-N 3.01Å; R120-I123 PolarHBondContact O-N 2.92Å; R120-K124 WeakPolarHBondContact O-CB 3.38Å; R120-K124 WeakPolarHBondContact O-CG 3.35Å; R120-K124 PolarHBondContact O-N 3.35Å; R120-A152 HydrophobicContact CG-CB 4.31Å; R120-D153 WeakPolarHBondContact CD-OD1 3.38Å; R120-D153 WeakPolarHBondContact CG-OD1 2.94Å; R120-A183 HydrophobicContact CB-CB 3.78Å; R120-A183 HydrophobicContact CG-CB 4.12Å |
| 121 | N | 90 | Very high | 85.5 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 179.2 | -67.9 | -10.5 | 0 | 0 | 0 | 112.1 | M117 M118 F119 I123 K124 D125 | M117-N121 VanDerWaalsContact O-CG 3.23Å; M117-N121 PolarHBondContact O-N 3.49Å; M117-N121 VanDerWaalsContact O-N 3.16Å; M117-N121 PolarHBondContact O-ND2 2.89Å; M118-N121 PolarHBondContact O-N 3.11Å; F119-N121 VanDerWaalsContact C-N 3.29Å; F119-N121 PolarHBondContact O-N 2.85Å; N121-I123 PolarHBondContact O-N 3.41Å; N121-K124 PolarHBondContact O-N 2.98Å; N121-D125 VanDerWaalsContact O-CB 3.29Å; N121-D125 WeakPolarHBondContact O-CB 3.37Å; N121-D125 PolarHBondContact O-N 3.3Å |
| 122 | I | 88 | Confident | 85.2 | Confident | 66 Ų | 66 | 78.3 Ų | 78.3 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 177.7 | -69.6 | 167.2 | 0 | 0 | 0 | 111.2 | M118 F119 D125 S126 F139 | M118-I122 HydrophobicContact CG-CD1 3.76Å; M118-I122 HydrophobicContact CG-CG1 4.49Å; M118-I122 VanDerWaalsContact O-CG1 3.31Å; M118-I122 WeakPolarHBondContact O-CG1 3.38Å; M118-I122 PolarHBondContact O-N 3.25Å; M118-I122 HydrophobicContact SD-CD1 4.41Å; F119-I122 HydrophobicContact CD1-CD1 4.32Å; F119-I122 PolarHBondContact O-N 3.42Å; I122-D125 PolarHBondContact O-N 3.07Å; I122-S126 WeakPolarHBondContact O-CB 3.27Å; I122-S126 PolarHBondContact O-N 2.98Å; I122-S126 PolarHBondContact O-OG 3.45Å; I122-F139 HydrophobicContact CG2-CE1 4.14Å; I122-F139 HydrophobicContact CG2-CZ 4.39Å |
| 123 | I | 90.2 | Very high | 84.8 | Confident | 3 Ų | 3 | 78.6 Ų | 78.6 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.7 | -45.1 | -179.8 | -62.8 | 166.9 | 0 | 0 | 0 | 109.8 | F119 R120 N121 D125 S126 I127 A152 C182 A183 L186 | F119-I123 VanDerWaalsContact O-CG1 3.28Å; F119-I123 WeakPolarHBondContact O-CG1 3.29Å; F119-I123 PolarHBondContact O-N 3.4Å; R120-I123 PolarHBondContact O-N 2.92Å; N121-I123 PolarHBondContact O-N 3.41Å; I123-D125 VanDerWaalsContact C-N 3.31Å; I123-D125 PolarHBondContact O-N 3.19Å; I123-S126 PolarHBondContact O-N 3.47Å; I123-I127 HydrophobicContact CG2-CD1 3.88Å; I123-I127 HydrophobicContact CG2-CG1 4.4Å; I123-I127 VanDerWaalsContact O-CG1 3.31Å; I123-I127 WeakPolarHBondContact O-CG1 3.45Å; I123-I127 PolarHBondContact O-N 2.98Å; I123-A152 HydrophobicContact CB-CB 3.83Å; I123-A152 HydrophobicContact CG2-CB 3.69Å; I123-C182 HydrophobicContact CD1-CB 3.82Å; I123-A183 HydrophobicContact CD1-CB 4.41Å; I123-L186 HydrophobicContact CD1-CD2 4.27Å |
| 124 | K | 91.6 | Very high | 84.5 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.6 | -74 | -165.9 | 179.1 | -166.5 | 0 | 112.4 | R120 N121 I127 K128 A152 D153 D157 | R120-K124 WeakPolarHBondContact O-CB 3.38Å; R120-K124 WeakPolarHBondContact O-CG 3.35Å; R120-K124 PolarHBondContact O-N 3.35Å; N121-K124 PolarHBondContact O-N 2.98Å; K124-I127 PolarHBondContact O-N 3.5Å; K124-K128 WeakPolarHBondContact O-CG 3.28Å; K124-K128 PolarHBondContact O-N 3.36Å; K124-A152 HydrophobicContact CD-CB 4.39Å; K124-A152 HydrophobicContact CG-CB 3.46Å; K124-A152 VanDerWaalsContact CG-CB 3.46Å; K124-D153 WeakPolarHBondContact CE-OD2 3.32Å; K124-D153 IonicContact NZ-OD2 2.71Å; K124-D153 PolarHBondContact NZ-OD2 2.89Å; K124-D157 WeakPolarHBondContact CE-OD1 3.36Å; K124-D157 IonicContact NZ-OD1 2.67Å |
| 125 | D | 89 | Confident | 84.3 | Confident | 77 Ų | 77 | 71.5 Ų | 71.5 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 178.1 | -160.8 | 52.4 | 0 | 0 | 0 | 112 | N121 I122 I123 I127 K128 H129 | N121-D125 VanDerWaalsContact O-CB 3.29Å; N121-D125 WeakPolarHBondContact O-CB 3.37Å; N121-D125 PolarHBondContact O-N 3.3Å; I122-D125 PolarHBondContact O-N 3.07Å; I123-D125 VanDerWaalsContact C-N 3.31Å; I123-D125 PolarHBondContact O-N 3.19Å; D125-I127 VanDerWaalsContact C-N 3.33Å; D125-I127 PolarHBondContact O-N 2.95Å; D125-K128 PolarHBondContact O-N 3.29Å; D125-H129 PolarHBondContact O-N 2.92Å |
| 126 | S | 87.3 | Confident | 84.6 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 173.9 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | I122 I123 H129 Y130 | I122-S126 WeakPolarHBondContact O-CB 3.27Å; I122-S126 PolarHBondContact O-N 2.98Å; I122-S126 PolarHBondContact O-OG 3.45Å; I123-S126 PolarHBondContact O-N 3.47Å; S126-H129 CarbonylContact O-C 3.48Å; S126-H129 PolarHBondContact O-N 3Å; S126-Y130 WeakPolarHBondContact O-CA 3.29Å; S126-Y130 PolarHBondContact O-N 3.38Å |
| 127 | I | 89.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 174.1 | -68.9 | 166 | 0 | 0 | 0 | 110.5 | I123 K124 D125 H129 Y130 V140 D157 Y158 L163 | I123-I127 HydrophobicContact CG2-CD1 3.88Å; I123-I127 HydrophobicContact CG2-CG1 4.4Å; I123-I127 VanDerWaalsContact O-CG1 3.31Å; I123-I127 WeakPolarHBondContact O-CG1 3.45Å; I123-I127 PolarHBondContact O-N 2.98Å; K124-I127 PolarHBondContact O-N 3.5Å; D125-I127 VanDerWaalsContact C-N 3.33Å; D125-I127 PolarHBondContact O-N 2.95Å; I127-H129 PolarHBondContact O-N 2.7Å; I127-H129 VanDerWaalsContact O-N 3.16Å; I127-Y130 WeakPolarHBondContact O-CB 3.28Å; I127-Y130 PolarHBondContact O-N 2.9Å; I127-V140 HydrophobicContact CG1-CG1 4.32Å; I127-D157 HydrophobicContact CD1-CB 4.02Å; I127-Y158 HydrophobicContact CD1-CE2 4.35Å; I127-Y158 HydrophobicContact CG1-CE1 4.17Å; I127-Y158 HydrophobicContact CG2-CD1 3.91Å; I127-Y158 HydrophobicContact CG2-CE1 3.88Å; I127-Y158 HydrophobicContact CG2-CG 4.5Å; I127-L163 HydrophobicContact CG2-CD1 3.98Å; I127-L163 WeakPolarHBondContact O-CD1 3.49Å |
| 128 | K | 88 | Confident | 85.7 | Confident | 143 Ų | 143 | 69.4 Ų | 69.4 | 62% | 0.622 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58 | -31.3 | 175.9 | -71.4 | 175.9 | -177.6 | -179.5 | 0 | 113.2 | K124 D125 | K124-K128 WeakPolarHBondContact O-CG 3.28Å; K124-K128 PolarHBondContact O-N 3.36Å; D125-K128 PolarHBondContact O-N 3.29Å |
| 129 | H | 85.8 | Confident | 85.7 | Confident | 59 Ų | 59 | 69 Ų | 69 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 11.8 | 178.6 | -66.9 | -43.1 | 0 | 0 | 0 | 114.2 | D125 S126 I127 M131 R132 K133 Y136 | D125-H129 PolarHBondContact O-N 2.92Å; S126-H129 CarbonylContact O-C 3.48Å; S126-H129 PolarHBondContact O-N 3Å; I127-H129 PolarHBondContact O-N 2.7Å; I127-H129 VanDerWaalsContact O-N 3.16Å; H129-M131 PolarHBondContact O-N 3.33Å; H129-R132 PolarHBondContact O-N 3.23Å; H129-K133 PolarHBondContact O-N 3.01Å; H129-Y136 HydrophobicContact CB-CD2 3.62Å; H129-Y136 HydrophobicContact CB-CE2 3.89Å; H129-Y136 HydrophobicContact CB-CG 4.18Å |
| 130 | Y | 83.7 | Confident | 85.9 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 12% | 0.122 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -49.7 | -174.6 | -172.4 | -85.4 | 0 | 0 | 0 | 112.2 | S126 I127 R132 A137 V140 N141 Y158 P166 | S126-Y130 WeakPolarHBondContact O-CA 3.29Å; S126-Y130 PolarHBondContact O-N 3.38Å; I127-Y130 WeakPolarHBondContact O-CB 3.28Å; I127-Y130 PolarHBondContact O-N 2.9Å; Y130-R132 VanDerWaalsContact C-N 3.3Å; Y130-R132 PolarHBondContact O-N 3.07Å; Y130-A137 HydrophobicContact CD1-CB 4.19Å; Y130-A137 HydrophobicContact CD2-CB 4.04Å; Y130-A137 HydrophobicContact CE1-CB 3.96Å; Y130-A137 HydrophobicContact CE2-CB 3.83Å; Y130-A137 HydrophobicContact CG-CB 4.21Å; Y130-V140 HydrophobicContact CD2-CB 4.37Å; Y130-V140 HydrophobicContact CE2-CB 4.33Å; Y130-N141 WeakPolarHBondContact CE2-OD1 3.46Å; Y130-N141 PolarHBondContact OH-ND2 3.25Å; Y130-N141 PolarHBondContact OH-OD1 2.82Å; Y130-Y158 HydrophobicContact CD2-CE1 4.31Å; Y130-Y158 HydrophobicContact CE2-CE1 4.5Å; Y130-P166 HydrophobicContact CE2-CB 4.5Å; Y130-P166 WeakPolarHBondContact OH-CB 3.45Å |
| 131 | M | 83.2 | Confident | 86 | Confident | 127 Ų | 127 | 65.2 Ų | 65.2 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -15 | 179.4 | -62 | -60 | -136.2 | 0 | 0 | 113.8 | H129 L163 P164 | H129-M131 PolarHBondContact O-N 3.33Å; M131-L163 HydrophobicContact CE-CD2 4.49Å; M131-L163 HydrophobicContact CG-CD2 3.47Å; M131-L163 VanDerWaalsContact CG-CD2 3.47Å; M131-P164 HydrophobicContact CE-CG 3.76Å |
| 132 | R | 82 | Confident | 86 | Confident | 197 Ų | 197 | 64.5 Ų | 64.5 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -36.1 | -172 | -170.3 | 178.1 | -179 | 179.9 | 3.1 | 112.8 | H129 Y130 | H129-R132 PolarHBondContact O-N 3.23Å; Y130-R132 VanDerWaalsContact C-N 3.3Å; Y130-R132 PolarHBondContact O-N 3.07Å |
| 133 | K | 78.1 | Confident | 86.1 | Confident | 115 Ų | 115 | 62.2 Ų | 62.2 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | trans | -136.3 | 131 | 175.9 | -57 | -172.6 | -179.1 | 175.6 | 0 | 111 | H129 S135 Y136 A137 | H129-K133 PolarHBondContact O-N 3.01Å; K133-S135 PolarHBondContact O-N 3.42Å; K133-Y136 HydrophobicContact CB-CD2 3.8Å; K133-Y136 HydrophobicContact CB-CE2 4.28Å; K133-Y136 HydrophobicContact CD-CD2 4.22Å; K133-Y136 HydrophobicContact CD-CE2 3.84Å; K133-Y136 HydrophobicContact CG-CD2 4.24Å; K133-Y136 HydrophobicContact CG-CE2 4.27Å; K133-Y136 PolarHBondContact O-N 3.39Å; K133-A137 PolarHBondContact O-N 3.28Å | ||
| 134 | N | 81.2 | Confident | 86.3 | Confident | 118 Ų | 118 | 62.1 Ų | 62.1 | 63% | 0.631 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -56.8 | -26.9 | 176.2 | -165.3 | 38.8 | 0 | 0 | 0 | 112.9 | A138 | N134-A138 VanDerWaalsContact O-CB 3.24Å; N134-A138 WeakPolarHBondContact O-CB 3.36Å; N134-A138 PolarHBondContact O-N 2.89Å |
| 135 | S | 78.9 | Confident | 86.3 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.8 | 59.9 | 0 | 0 | 0 | 0 | 113.4 | K133 F139 | K133-S135 PolarHBondContact O-N 3.42Å; S135-F139 VanDerWaalsContact O-CB 3.31Å; S135-F139 WeakPolarHBondContact O-CB 3.45Å; S135-F139 PolarHBondContact O-N 3.42Å |
| 136 | Y | 82.1 | Confident | 86.4 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72 | -42.9 | 177.2 | -68.8 | -66.9 | 0 | 0 | 0 | 110.6 | H129 K133 A138 F139 V140 | H129-Y136 HydrophobicContact CB-CD2 3.62Å; H129-Y136 HydrophobicContact CB-CE2 3.89Å; H129-Y136 HydrophobicContact CB-CG 4.18Å; K133-Y136 HydrophobicContact CB-CD2 3.8Å; K133-Y136 HydrophobicContact CB-CE2 4.28Å; K133-Y136 HydrophobicContact CD-CD2 4.22Å; K133-Y136 HydrophobicContact CD-CE2 3.84Å; K133-Y136 HydrophobicContact CG-CD2 4.24Å; K133-Y136 HydrophobicContact CG-CE2 4.27Å; K133-Y136 PolarHBondContact O-N 3.39Å; Y136-A138 PolarHBondContact O-N 2.95Å; Y136-F139 PolarHBondContact O-N 2.75Å; Y136-V140 WeakPolarHBondContact O-CG2 3.39Å; Y136-V140 PolarHBondContact O-N 3.02Å |
| 137 | A | 86.3 | Confident | 86.7 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y130 K133 V140 N141 | Y130-A137 HydrophobicContact CD1-CB 4.19Å; Y130-A137 HydrophobicContact CD2-CB 4.04Å; Y130-A137 HydrophobicContact CE1-CB 3.96Å; Y130-A137 HydrophobicContact CE2-CB 3.83Å; Y130-A137 HydrophobicContact CG-CB 4.21Å; K133-A137 PolarHBondContact O-N 3.28Å; A137-V140 PolarHBondContact O-N 2.93Å; A137-N141 WeakPolarHBondContact O-CB 3.48Å; A137-N141 PolarHBondContact O-N 2.95Å; A137-N141 PolarHBondContact O-ND2 2.64Å |
| 138 | A | 85.4 | Confident | 86.9 | Confident | 46 Ų | 46 | 75.5 Ų | 75.5 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N134 Y136 V140 N141 T142 | N134-A138 VanDerWaalsContact O-CB 3.24Å; N134-A138 WeakPolarHBondContact O-CB 3.36Å; N134-A138 PolarHBondContact O-N 2.89Å; Y136-A138 PolarHBondContact O-N 2.95Å; A138-V140 PolarHBondContact O-N 3.26Å; A138-N141 PolarHBondContact O-N 3.14Å; A138-T142 WeakPolarHBondContact O-CB 3.45Å; A138-T142 PolarHBondContact O-N 3.28Å; A138-T142 PolarHBondContact O-OG1 3.28Å |
| 139 | F | 85.1 | Confident | 87.2 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.1 | -51 | 178.7 | 173 | -104.9 | 0 | 0 | 0 | 112.4 | I122 S135 Y136 I143 | I122-F139 HydrophobicContact CG2-CE1 4.14Å; I122-F139 HydrophobicContact CG2-CZ 4.39Å; S135-F139 VanDerWaalsContact O-CB 3.31Å; S135-F139 WeakPolarHBondContact O-CB 3.45Å; S135-F139 PolarHBondContact O-N 3.42Å; Y136-F139 PolarHBondContact O-N 2.75Å; F139-I143 HydrophobicContact CD1-CD1 4.15Å; F139-I143 HydrophobicContact CD2-CD1 4.13Å; F139-I143 HydrophobicContact CE1-CD1 3.63Å; F139-I143 HydrophobicContact CE2-CD1 3.61Å; F139-I143 HydrophobicContact CG-CD1 4.39Å; F139-I143 HydrophobicContact CZ-CD1 3.34Å; F139-I143 WeakPolarHBondContact O-CG1 3.35Å; F139-I143 PolarHBondContact O-N 2.79Å |
| 140 | V | 89.3 | Confident | 87.7 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.4 | -43.5 | -179.7 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | I127 Y130 Y136 A137 A138 T142 I143 Q144 Y158 | I127-V140 HydrophobicContact CG1-CG1 4.32Å; Y130-V140 HydrophobicContact CD2-CB 4.37Å; Y130-V140 HydrophobicContact CE2-CB 4.33Å; Y136-V140 WeakPolarHBondContact O-CG2 3.39Å; Y136-V140 PolarHBondContact O-N 3.02Å; A137-V140 PolarHBondContact O-N 2.93Å; A138-V140 PolarHBondContact O-N 3.26Å; V140-T142 VanDerWaalsContact C-N 3.35Å; V140-T142 PolarHBondContact O-N 2.85Å; V140-I143 PolarHBondContact O-N 3.16Å; V140-Q144 HydrophobicContact CG1-CG 4.19Å; V140-Q144 VanDerWaalsContact CG1-OE1 3.27Å; V140-Q144 WeakPolarHBondContact O-CB 3.29Å; V140-Q144 VanDerWaalsContact O-CG 3.24Å; V140-Q144 WeakPolarHBondContact O-CG 3.26Å; V140-Q144 PolarHBondContact O-N 3.48Å; V140-Y158 WeakPolarHBondContact CG1-OH 3.16Å |
| 141 | N | 91.3 | Very high | 88.2 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 178.2 | -73 | -17.3 | 0 | 0 | 0 | 112.5 | Y130 A137 A138 Q144 L145 S168 | Y130-N141 WeakPolarHBondContact CE2-OD1 3.46Å; Y130-N141 PolarHBondContact OH-ND2 3.25Å; Y130-N141 PolarHBondContact OH-OD1 2.82Å; A137-N141 WeakPolarHBondContact O-CB 3.48Å; A137-N141 PolarHBondContact O-N 2.95Å; A137-N141 PolarHBondContact O-ND2 2.64Å; A138-N141 PolarHBondContact O-N 3.14Å; N141-Q144 PolarHBondContact O-N 2.97Å; N141-L145 WeakPolarHBondContact O-CB 3.19Å; N141-L145 WeakPolarHBondContact O-CG 3.4Å; N141-L145 PolarHBondContact O-N 3.27Å; N141-S168 PolarHBondContact OD1-OG 3.49Å |
| 142 | T | 89.1 | Confident | 88.7 | Confident | 77 Ų | 77 | 58.3 Ų | 58.3 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 177.5 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | A138 V140 Q146 | A138-T142 WeakPolarHBondContact O-CB 3.45Å; A138-T142 PolarHBondContact O-N 3.28Å; A138-T142 PolarHBondContact O-OG1 3.28Å; V140-T142 VanDerWaalsContact C-N 3.35Å; V140-T142 PolarHBondContact O-N 2.85Å; T142-Q146 WeakPolarHBondContact O-CB 3.28Å; T142-Q146 PolarHBondContact O-N 2.99Å |
| 143 | I | 91.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 177.5 | -69.5 | 169.8 | 0 | 0 | 0 | 110.5 | F139 V140 Q146 H147 C182 L186 | F139-I143 HydrophobicContact CD1-CD1 4.15Å; F139-I143 HydrophobicContact CD2-CD1 4.13Å; F139-I143 HydrophobicContact CE1-CD1 3.63Å; F139-I143 HydrophobicContact CE2-CD1 3.61Å; F139-I143 HydrophobicContact CG-CD1 4.39Å; F139-I143 HydrophobicContact CZ-CD1 3.34Å; F139-I143 WeakPolarHBondContact O-CG1 3.35Å; F139-I143 PolarHBondContact O-N 2.79Å; V140-I143 PolarHBondContact O-N 3.16Å; I143-Q146 PolarHBondContact O-N 3.41Å; I143-H147 WeakPolarHBondContact O-CB 3.11Å; I143-H147 PolarHBondContact O-N 3.36Å; I143-C182 HydrophobicContact CG2-CB 3.94Å; I143-L186 HydrophobicContact CD1-CD2 4.27Å |
| 144 | Q | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | -178.4 | -71.6 | 178.7 | 174.1 | 0 | 0 | 112.1 | V140 N141 K148 C149 Y158 S168 C169 | V140-Q144 HydrophobicContact CG1-CG 4.19Å; V140-Q144 VanDerWaalsContact CG1-OE1 3.27Å; V140-Q144 WeakPolarHBondContact O-CB 3.29Å; V140-Q144 VanDerWaalsContact O-CG 3.24Å; V140-Q144 WeakPolarHBondContact O-CG 3.26Å; V140-Q144 PolarHBondContact O-N 3.48Å; N141-Q144 PolarHBondContact O-N 2.97Å; Q144-K148 VanDerWaalsContact O-CA 3.27Å; Q144-K148 WeakPolarHBondContact O-CA 3.32Å; Q144-K148 PolarHBondContact O-N 3.46Å; Q144-C149 WeakPolarHBondContact CA-O 3.36Å; Q144-C149 WeakPolarHBondContact CB-O 3.43Å; Q144-C149 VanDerWaalsContact CG-O 3.27Å; Q144-C149 WeakPolarHBondContact CG-O 3.39Å; Q144-C149 PolarHBondContact O-N 3.06Å; Q144-Y158 PolarHBondContact NE2-OH 3.41Å; Q144-Y158 PolarHBondContact OE1-OH 3.38Å; Q144-S168 PolarHBondContact NE2-OG 2.9Å; Q144-C169 VanDerWaalsContact CD-SG 3.55Å; Q144-C169 PolarHBondContact NE2-SG 3.02Å |
| 145 | L | 92 | Very high | 90.6 | Very high | 101 Ų | 101 | 43.9 Ų | 43.9 | 53% | 0.529 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.6 | -44.8 | 177.1 | -75.7 | 165 | 0 | 0 | 0 | 112.2 | N141 | N141-L145 WeakPolarHBondContact O-CB 3.19Å; N141-L145 WeakPolarHBondContact O-CG 3.4Å; N141-L145 PolarHBondContact O-N 3.27Å |
| 146 | Q | 91.2 | Very high | 91.2 | Very high | 137 Ų | 137 | 47 Ų | 47 | 64% | 0.64 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -73.6 | -33.1 | -174.3 | -174 | 173.8 | -22.3 | 0 | 0 | 112.6 | T142 I143 | T142-Q146 WeakPolarHBondContact O-CB 3.28Å; T142-Q146 PolarHBondContact O-N 2.99Å; I143-Q146 PolarHBondContact O-N 3.41Å |
| 147 | H | 93.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 25% | 0.25 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -110.4 | 5.8 | -175.9 | -63.8 | -58.4 | 0 | 0 | 0 | 114.1 | I143 C149 I185 I189 | I143-H147 WeakPolarHBondContact O-CB 3.11Å; I143-H147 PolarHBondContact O-N 3.36Å; H147-C149 VanDerWaalsContact C-N 3.34Å; H147-C149 PolarHBondContact O-N 2.94Å; H147-I185 HydrophobicContact CB-CG2 4.06Å; H147-I189 WeakPolarHBondContact CE1-CD1 3.49Å; H147-I189 WeakPolarHBondContact ND1-CD1 3.13Å |
| 148 | K | 93.4 | Very high | 92.1 | Very high | 143 Ų | 143 | 44.2 Ų | 44.2 | 62% | 0.622 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 51.8 | 175.6 | -61.1 | -178.7 | -180 | -178.7 | 0 | 112 | Q144 H178 | Q144-K148 VanDerWaalsContact O-CA 3.27Å; Q144-K148 WeakPolarHBondContact O-CA 3.32Å; Q144-K148 PolarHBondContact O-N 3.46Å; K148-H178 VanDerWaalsContact C-CG 3.44Å; K148-H178 PolarHBondContact O-ND1 3.39Å |
| 149 | C | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -134.6 | 163.6 | -176.4 | 61.2 | 0 | 0 | 0 | 0 | 109.7 | Q144 H147 E180 C182 I185 | Q144-C149 WeakPolarHBondContact CA-O 3.36Å; Q144-C149 WeakPolarHBondContact CB-O 3.43Å; Q144-C149 VanDerWaalsContact CG-O 3.27Å; Q144-C149 WeakPolarHBondContact CG-O 3.39Å; Q144-C149 PolarHBondContact O-N 3.06Å; H147-C149 VanDerWaalsContact C-N 3.34Å; H147-C149 PolarHBondContact O-N 2.94Å; C149-E180 CarbonylContact C-O 3.47Å; C149-E180 VanDerWaalsContact CA-O 3.28Å; C149-E180 WeakPolarHBondContact CA-O 3.25Å; C149-E180 VanDerWaalsContact CB-O 3.32Å; C149-E180 WeakPolarHBondContact CB-O 3.49Å; C149-C182 HydrophobicContact CB-CB 3.93Å; C149-C182 WeakPolarHBondContact CB-SG 3.31Å; C149-C182 WeakPolarHBondContact SG-CA 3.38Å; C149-C182 WeakPolarHBondContact SG-CB 3.27Å; C149-C182 CovalentContact SG-SG 2.03Å; C149-C182 PolarHBondContact SG-SG 3.25Å; C149-I185 HydrophobicContact CB-CD1 3.69Å | ||
| 150 | C | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -139.5 | 131 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 112 | S154 V155 C169 H178 E180 | C150-S154 CarbonylContact O-C 3.27Å; C150-S154 WeakPolarHBondContact O-CA 3.42Å; C150-V155 HydrophobicContact CB-CG2 3.87Å; C150-C169 VanDerWaalsContact CA-SG 3.59Å; C150-C169 HydrophobicContact CB-CB 3.66Å; C150-C169 WeakPolarHBondContact CB-SG 3.34Å; C150-C169 WeakPolarHBondContact SG-CB 3.24Å; C150-C169 CovalentContact SG-SG 2.03Å; C150-C169 PolarHBondContact SG-SG 3.01Å; C150-H178 HydrophobicContact CB-CB 4.15Å; C150-H178 WeakPolarHBondContact CB-O 3.32Å; C150-E180 PolarHBondContact N-O 3.26Å | ||
| 151 | G | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 70.6 | -176 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C182 | G151-C182 WeakPolarHBondContact O-CB 3.38Å; G151-C182 PolarHBondContact O-N 3.49Å; G151-C182 PolarHBondContact O-SG 2.88Å |
| 152 | A | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -78.1 | -55.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R120 I123 K124 D157 G181 C182 A183 | R120-A152 HydrophobicContact CG-CB 4.31Å; I123-A152 HydrophobicContact CB-CB 3.83Å; I123-A152 HydrophobicContact CG2-CB 3.69Å; K124-A152 HydrophobicContact CD-CB 4.39Å; K124-A152 HydrophobicContact CG-CB 3.46Å; K124-A152 VanDerWaalsContact CG-CB 3.46Å; A152-D157 WeakPolarHBondContact CA-OD2 3.31Å; A152-D157 WeakPolarHBondContact CB-OD2 3.45Å; A152-D157 PolarHBondContact N-OD2 3.45Å; A152-G181 CarbonylContact O-C 3.51Å; A152-G181 WeakPolarHBondContact O-CA 3.27Å; A152-C182 PolarHBondContact O-N 2.78Å; A152-A183 WeakPolarHBondContact O-CB 3.33Å; A152-A183 PolarHBondContact O-N 3.39Å |
| 153 | D | 93.9 | Very high | 92.4 | Very high | 72 Ų | 72 | 53 Ų | 53 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -104 | -35.5 | 178.1 | -61.3 | -41.8 | 0 | 0 | 0 | 111.2 | R120 K124 D157 G181 | R120-D153 WeakPolarHBondContact CD-OD1 3.38Å; R120-D153 WeakPolarHBondContact CG-OD1 2.94Å; K124-D153 WeakPolarHBondContact CE-OD2 3.32Å; K124-D153 IonicContact NZ-OD2 2.71Å; K124-D153 PolarHBondContact NZ-OD2 2.89Å; D153-D157 PolarHBondContact N-OD2 2.87Å; D153-G181 WeakPolarHBondContact O-CA 3.24Å |
| 154 | S | 94.1 | Very high | 92.4 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -165.6 | 173.5 | 176.4 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | C150 M156 D157 | C150-S154 CarbonylContact O-C 3.27Å; C150-S154 WeakPolarHBondContact O-CA 3.42Å; S154-M156 PolarHBondContact O-N 3.01Å; S154-M156 WeakPolarHBondContact OG-CB 3.28Å; S154-M156 PolarHBondContact OG-N 3.33Å; S154-D157 PolarHBondContact N-OD2 3.38Å; S154-D157 WeakPolarHBondContact O-CB 3.14Å; S154-D157 PolarHBondContact O-N 3.38Å |
| 155 | V | 92.6 | Very high | 92.3 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -29.7 | 170.7 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | C150 D157 Y158 V165 P177 H178 | C150-V155 HydrophobicContact CB-CG2 3.87Å; V155-D157 PolarHBondContact O-N 2.98Å; V155-Y158 PolarHBondContact O-N 2.86Å; V155-V165 HydrophobicContact CG1-CB 4.46Å; V155-V165 HydrophobicContact CG1-CG1 3.94Å; V155-V165 HydrophobicContact CG1-CG2 3.6Å; V155-P177 HydrophobicContact CB-CG 4.49Å; V155-P177 HydrophobicContact CG1-CB 4.24Å; V155-P177 HydrophobicContact CG1-CG 3.94Å; V155-P177 HydrophobicContact CG2-CB 3.86Å; V155-P177 HydrophobicContact CG2-CG 3.78Å; V155-H178 WeakPolarHBondContact CG2-O 3.08Å |
| 156 | M | 92.9 | Very high | 92.3 | Very high | 103 Ų | 103 | 53.7 Ų | 53.7 | 51% | 0.507 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66 | -17.1 | -179 | -61.7 | -62.7 | 97.7 | 0 | 0 | 113.7 | S154 Y158 T159 V160 | S154-M156 PolarHBondContact O-N 3.01Å; S154-M156 WeakPolarHBondContact OG-CB 3.28Å; S154-M156 PolarHBondContact OG-N 3.33Å; M156-Y158 PolarHBondContact O-N 3.42Å; M156-T159 WeakPolarHBondContact CA-OG1 3.33Å; M156-T159 HydrophobicContact CE-CG2 4.16Å; M156-T159 PolarHBondContact O-N 3.47Å; M156-T159 VanDerWaalsContact O-N 3.17Å; M156-T159 PolarHBondContact O-OG1 3.2Å; M156-V160 WeakPolarHBondContact O-CB 3.41Å; M156-V160 VanDerWaalsContact O-CG2 3.31Å; M156-V160 WeakPolarHBondContact O-CG2 3.25Å; M156-V160 PolarHBondContact O-N 3.27Å |
| 157 | D | 92.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -28.4 | 175.2 | -72.9 | -40.7 | 0 | 0 | 0 | 112.1 | K124 I127 A152 D153 S154 V155 S161 | K124-D157 WeakPolarHBondContact CE-OD1 3.36Å; K124-D157 IonicContact NZ-OD1 2.67Å; I127-D157 HydrophobicContact CD1-CB 4.02Å; A152-D157 WeakPolarHBondContact CA-OD2 3.31Å; A152-D157 WeakPolarHBondContact CB-OD2 3.45Å; A152-D157 PolarHBondContact N-OD2 3.45Å; D153-D157 PolarHBondContact N-OD2 2.87Å; S154-D157 PolarHBondContact N-OD2 3.38Å; S154-D157 WeakPolarHBondContact O-CB 3.14Å; S154-D157 PolarHBondContact O-N 3.38Å; V155-D157 PolarHBondContact O-N 2.98Å; D157-S161 WeakPolarHBondContact O-CB 3.37Å; D157-S161 PolarHBondContact O-N 3.3Å; D157-S161 PolarHBondContact O-OG 2.91Å |
| 158 | Y | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.4 | -47 | 173.2 | -71 | -78.8 | 0 | 0 | 0 | 111.9 | I127 Y130 V140 Q144 V155 M156 V160 S161 N162 L163 P166 | I127-Y158 HydrophobicContact CD1-CE2 4.35Å; I127-Y158 HydrophobicContact CG1-CE1 4.17Å; I127-Y158 HydrophobicContact CG2-CD1 3.91Å; I127-Y158 HydrophobicContact CG2-CE1 3.88Å; I127-Y158 HydrophobicContact CG2-CG 4.5Å; Y130-Y158 HydrophobicContact CD2-CE1 4.31Å; Y130-Y158 HydrophobicContact CE2-CE1 4.5Å; V140-Y158 WeakPolarHBondContact CG1-OH 3.16Å; Q144-Y158 PolarHBondContact NE2-OH 3.41Å; Q144-Y158 PolarHBondContact OE1-OH 3.38Å; V155-Y158 PolarHBondContact O-N 2.86Å; M156-Y158 PolarHBondContact O-N 3.42Å; Y158-V160 PolarHBondContact O-N 2.86Å; Y158-S161 CarbonylContact O-C 3.44Å; Y158-S161 PolarHBondContact O-N 2.96Å; Y158-S161 VanDerWaalsContact O-N 3.08Å; Y158-N162 PolarHBondContact O-N 2.88Å; Y158-L163 CarbonylContact C-O 3.51Å; Y158-L163 HydrophobicContact CD1-CB 4.04Å; Y158-L163 PolarHBondContact O-N 3.4Å; Y158-P166 HydrophobicContact CE1-CG 3.93Å; Y158-P166 HydrophobicContact CE2-CG 4.04Å; Y158-P166 VanDerWaalsContact CZ-CD 3.43Å; Y158-P166 WeakPolarHBondContact OH-CG 3.38Å |
| 159 | T | 89.3 | Confident | 92.4 | Very high | 67 Ų | 67 | 44 Ų | 44 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | -177.8 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | M156 S161 N162 | M156-T159 WeakPolarHBondContact CA-OG1 3.33Å; M156-T159 HydrophobicContact CE-CG2 4.16Å; M156-T159 PolarHBondContact O-N 3.47Å; M156-T159 VanDerWaalsContact O-N 3.17Å; M156-T159 PolarHBondContact O-OG1 3.2Å; T159-S161 PolarHBondContact O-N 3.3Å; T159-N162 PolarHBondContact O-N 3.4Å |
| 160 | V | 90.2 | Very high | 92.2 | Very high | 117 Ų | 117 | 47.4 Ų | 47.4 | 71% | 0.709 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.4 | -30.7 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | M156 Y158 N162 | M156-V160 WeakPolarHBondContact O-CB 3.41Å; M156-V160 VanDerWaalsContact O-CG2 3.31Å; M156-V160 WeakPolarHBondContact O-CG2 3.25Å; M156-V160 PolarHBondContact O-N 3.27Å; Y158-V160 PolarHBondContact O-N 2.86Å; V160-N162 VanDerWaalsContact C-N 3.28Å; V160-N162 PolarHBondContact O-N 2.94Å |
| 161 | S | 87.8 | Confident | 91.6 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 6 | 177.1 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | D157 Y158 T159 L163 | D157-S161 WeakPolarHBondContact O-CB 3.37Å; D157-S161 PolarHBondContact O-N 3.3Å; D157-S161 PolarHBondContact O-OG 2.91Å; Y158-S161 CarbonylContact O-C 3.44Å; Y158-S161 PolarHBondContact O-N 2.96Å; Y158-S161 VanDerWaalsContact O-N 3.08Å; T159-S161 PolarHBondContact O-N 3.3Å; S161-L163 PolarHBondContact O-N 3.12Å |
| 162 | N | 90 | Very high | 90.6 | Very high | 153 Ų | 153 | 57.7 Ų | 57.7 | 82% | 0.818 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 36.7 | -171.8 | -60.7 | -58.2 | 0 | 0 | 0 | 113.2 | Y158 T159 V160 | Y158-N162 PolarHBondContact O-N 2.88Å; T159-N162 PolarHBondContact O-N 3.4Å; V160-N162 VanDerWaalsContact C-N 3.28Å; V160-N162 PolarHBondContact O-N 2.94Å |
| 163 | L | 90 | Very high | 89.4 | Confident | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | trans | -110.7 | 144.7 | 179.5 | -69.1 | 173 | 0 | 0 | 0 | 110.9 | I127 M131 Y158 S161 | I127-L163 HydrophobicContact CG2-CD1 3.98Å; I127-L163 WeakPolarHBondContact O-CD1 3.49Å; M131-L163 HydrophobicContact CE-CD2 4.49Å; M131-L163 HydrophobicContact CG-CD2 3.47Å; M131-L163 VanDerWaalsContact CG-CD2 3.47Å; Y158-L163 CarbonylContact C-O 3.51Å; Y158-L163 HydrophobicContact CD1-CB 4.04Å; Y158-L163 PolarHBondContact O-N 3.4Å; S161-L163 PolarHBondContact O-N 3.12Å | ||
| 164 | P | 91.2 | Very high | 88.4 | Confident | 85 Ų | 85 | 66 Ų | 66 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 144.2 | 169.5 | 29.5 | -33.6 | 0 | 0 | 0 | 110.2 | M131 | M131-P164 HydrophobicContact CE-CG 3.76Š|
| 165 | V | 91.9 | Very high | 87.8 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 22% | 0.218 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 125.6 | 173.1 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | V155 C169 Y170 P177 | V155-V165 HydrophobicContact CG1-CB 4.46Å; V155-V165 HydrophobicContact CG1-CG1 3.94Å; V155-V165 HydrophobicContact CG1-CG2 3.6Å; V165-C169 HydrophobicContact CG1-CB 3.74Å; V165-Y170 HydrophobicContact CB-CE2 4.26Å; V165-Y170 HydrophobicContact CG1-CE2 3.74Å; V165-P177 HydrophobicContact CG1-CB 4.43Å |
| 166 | P | 92.2 | Very high | 87.6 | Confident | 13 Ų | 13 | 74.3 Ų | 74.3 | 8% | 0.084 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 153.2 | -175.3 | 31.5 | -37.1 | 0 | 0 | 0 | 111.9 | Y130 Y158 S168 C169 Y170 | Y130-P166 HydrophobicContact CE2-CB 4.5Å; Y130-P166 WeakPolarHBondContact OH-CB 3.45Å; Y158-P166 HydrophobicContact CE1-CG 3.93Å; Y158-P166 HydrophobicContact CE2-CG 4.04Å; Y158-P166 VanDerWaalsContact CZ-CD 3.43Å; Y158-P166 WeakPolarHBondContact OH-CG 3.38Å; P166-S168 WeakPolarHBondContact CG-OG 3.37Å; P166-S168 PolarHBondContact O-N 3.42Å; P166-C169 WeakPolarHBondContact O-CB 3.27Å; P166-C169 PolarHBondContact O-N 3.22Å; P166-Y170 WeakPolarHBondContact O-CD2 3.41Å |
| 167 | V | 91.4 | Very high | 87.5 | Confident | 128 Ų | 128 | 71 Ų | 71 | 78% | 0.776 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -56.1 | -26.6 | 177.8 | -64.8 | 0 | 0 | 0 | 0 | 113.4 | C169 Y170 | V167-C169 PolarHBondContact O-N 3.48Å; V167-Y170 PolarHBondContact O-N 2.89Å; V167-Y170 VanDerWaalsContact O-N 3.1Å |
| 168 | S | 92.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -65.5 | -16.4 | 176.1 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | N141 Q144 P166 Y170 | N141-S168 PolarHBondContact OD1-OG 3.49Å; Q144-S168 PolarHBondContact NE2-OG 2.9Å; P166-S168 WeakPolarHBondContact CG-OG 3.37Å; P166-S168 PolarHBondContact O-N 3.42Å; S168-Y170 VanDerWaalsContact C-N 3.34Å |
| 169 | C | 94.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -81.9 | -13.1 | 173.5 | -76.6 | 0 | 0 | 0 | 0 | 113.3 | Q144 C150 V165 P166 V167 P177 H178 | Q144-C169 VanDerWaalsContact CD-SG 3.55Å; Q144-C169 PolarHBondContact NE2-SG 3.02Å; C150-C169 VanDerWaalsContact CA-SG 3.59Å; C150-C169 HydrophobicContact CB-CB 3.66Å; C150-C169 WeakPolarHBondContact CB-SG 3.34Å; C150-C169 WeakPolarHBondContact SG-CB 3.24Å; C150-C169 CovalentContact SG-SG 2.03Å; C150-C169 PolarHBondContact SG-SG 3.01Å; V165-C169 HydrophobicContact CG1-CB 3.74Å; P166-C169 WeakPolarHBondContact O-CB 3.27Å; P166-C169 PolarHBondContact O-N 3.22Å; V167-C169 PolarHBondContact O-N 3.48Å; C169-P177 HydrophobicContact CB-CB 4.12Å; C169-P177 CarbonylContact O-C 3.59Å; C169-P177 VanDerWaalsContact O-CA 3.27Å; C169-P177 WeakPolarHBondContact O-CA 3.38Å; C169-H178 PolarHBondContact O-CD2 3.49Å; C169-H178 PolarHBondContact O-N 3.4Å |
| 170 | Y | 92.7 | Very high | 87.2 | Confident | 71 Ų | 71 | 79.9 Ų | 79.9 | 28% | 0.278 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -100.1 | 134.2 | -177.1 | -62.5 | -94.8 | 0 | 0 | 0 | 109 | V165 P166 V167 S168 T175 P177 | V165-Y170 HydrophobicContact CB-CE2 4.26Å; V165-Y170 HydrophobicContact CG1-CE2 3.74Å; P166-Y170 WeakPolarHBondContact O-CD2 3.41Å; V167-Y170 PolarHBondContact O-N 2.89Å; V167-Y170 VanDerWaalsContact O-N 3.1Å; S168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-T175 WeakPolarHBondContact CE1-O 3.35Å; Y170-P177 HydrophobicContact CD1-CB 4.33Å; Y170-P177 HydrophobicContact CE1-CB 4.06Å; Y170-P177 HydrophobicContact CE1-CG 4.29Å |
| 171 | P | 82.5 | Confident | 87.4 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | trans | -61.4 | 147.9 | 169.4 | 26 | -30.6 | 0 | 0 | 0 | 109.1 | K173 G174 T176 | P171-K173 PolarHBondContact O-N 3.15Å; P171-G174 PolarHBondContact O-N 2.88Å; P171-T176 VanDerWaalsContact CD-O 3.26Å; P171-T176 WeakPolarHBondContact CD-O 3.43Å | ||
| 172 | D | 72.3 | Confident | 87.7 | Confident | 159 Ų | 159 | 72.9 Ų | 72.9 | 85% | 0.85 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 109 | -178.8 | -79.1 | -39.4 | 0 | 0 | 0 | 111 | ||
| 173 | K | 68.2 | Low | 87.8 | Confident | 218 Ų | 218 | 65.8 Ų | 65.8 | 95% | 0.948 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 7.9 | -177.5 | -47.8 | 170.4 | -178.4 | 178.2 | 0 | 117.5 | P171 | P171-K173 PolarHBondContact O-N 3.15Š|
| 174 | G | 73.6 | Confident | 87.9 | Confident | 28 Ų | 28 | 72 Ų | 72 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | trans | -84 | 149.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P171 | P171-G174 PolarHBondContact O-N 2.88Š| ||
| 175 | T | 82.4 | Confident | 87.9 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 82% | 0.822 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -94.2 | -10.8 | 169.3 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | Y170 | Y170-T175 WeakPolarHBondContact CE1-O 3.35Š|
| 176 | T | 88 | Confident | 87.9 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -105.5 | 124.6 | -179.3 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | P171 | P171-T176 VanDerWaalsContact CD-O 3.26Å; P171-T176 WeakPolarHBondContact CD-O 3.43Å |
| 177 | P | 90 | Very high | 87.8 | Confident | 33 Ų | 33 | 70 Ų | 70 | 21% | 0.214 | 38% | 0.377 | C | S | . | . | trans | -70.6 | 159.7 | 175.4 | 30.6 | -34.1 | 0 | 0 | 0 | 111.4 | V155 V165 C169 Y170 | V155-P177 HydrophobicContact CB-CG 4.49Å; V155-P177 HydrophobicContact CG1-CB 4.24Å; V155-P177 HydrophobicContact CG1-CG 3.94Å; V155-P177 HydrophobicContact CG2-CB 3.86Å; V155-P177 HydrophobicContact CG2-CG 3.78Å; V165-P177 HydrophobicContact CG1-CB 4.43Å; C169-P177 HydrophobicContact CB-CB 4.12Å; C169-P177 CarbonylContact O-C 3.59Å; C169-P177 VanDerWaalsContact O-CA 3.27Å; C169-P177 WeakPolarHBondContact O-CA 3.38Å; Y170-P177 HydrophobicContact CD1-CB 4.33Å; Y170-P177 HydrophobicContact CE1-CB 4.06Å; Y170-P177 HydrophobicContact CE1-CG 4.29Å | ||
| 178 | H | 90.2 | Very high | 87.8 | Confident | 33 Ų | 33 | 67 Ų | 67 | 15% | 0.153 | 37% | 0.365 | C | S | . | . | trans | -57.2 | 136.1 | 170.6 | -66.9 | -62.7 | 0 | 0 | 0 | 111 | K148 C150 V155 C169 | K148-H178 VanDerWaalsContact C-CG 3.44Å; K148-H178 PolarHBondContact O-ND1 3.39Å; C150-H178 HydrophobicContact CB-CB 4.15Å; C150-H178 WeakPolarHBondContact CB-O 3.32Å; V155-H178 WeakPolarHBondContact CG2-O 3.08Å; C169-H178 PolarHBondContact O-CD2 3.49Å; C169-H178 PolarHBondContact O-N 3.4Å | ||
| 179 | N | 88 | Confident | 87.7 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 72% | 0.717 | 38% | 0.377 | S | S | * | . | trans | -86.6 | -24.5 | -178 | -69.4 | -32.6 | 0 | 0 | 0 | 111.8 | ||||
| 180 | E | 91.5 | Very high | 87.5 | Confident | 107 Ų | 107 | 70.5 Ų | 70.5 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -77.6 | 133.6 | -176.7 | -58.9 | 82.7 | -179.2 | 0 | 0 | 112.3 | C149 C150 I185 | C149-E180 CarbonylContact C-O 3.47Å; C149-E180 VanDerWaalsContact CA-O 3.28Å; C149-E180 WeakPolarHBondContact CA-O 3.25Å; C149-E180 VanDerWaalsContact CB-O 3.32Å; C149-E180 WeakPolarHBondContact CB-O 3.49Å; C150-E180 PolarHBondContact N-O 3.26Å; E180-I185 HydrophobicContact CB-CD1 3.88Å |
| 181 | G | 93.8 | Very high | 87.5 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | trans | -72.9 | 137.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A152 D153 A183 | A152-G181 CarbonylContact O-C 3.51Å; A152-G181 WeakPolarHBondContact O-CA 3.27Å; D153-G181 WeakPolarHBondContact O-CA 3.24Å; G181-A183 PolarHBondContact O-N 2.89Å | ||
| 182 | C | 94.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.8 | -21.6 | -179.1 | -65 | 0 | 0 | 0 | 0 | 113.8 | I123 I143 C149 G151 A152 L186 | I123-C182 HydrophobicContact CD1-CB 3.82Å; I143-C182 HydrophobicContact CG2-CB 3.94Å; C149-C182 HydrophobicContact CB-CB 3.93Å; C149-C182 WeakPolarHBondContact CB-SG 3.31Å; C149-C182 WeakPolarHBondContact SG-CA 3.38Å; C149-C182 WeakPolarHBondContact SG-CB 3.27Å; C149-C182 CovalentContact SG-SG 2.03Å; C149-C182 PolarHBondContact SG-SG 3.25Å; G151-C182 WeakPolarHBondContact O-CB 3.38Å; G151-C182 PolarHBondContact O-N 3.49Å; G151-C182 PolarHBondContact O-SG 2.88Å; A152-C182 PolarHBondContact O-N 2.78Å; C182-L186 WeakPolarHBondContact O-CB 3.49Å; C182-L186 PolarHBondContact O-N 3.49Å |
| 183 | A | 92.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.8 | -44.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R120 I123 A152 G181 N187 | R120-A183 HydrophobicContact CB-CB 3.78Å; R120-A183 HydrophobicContact CG-CB 4.12Å; I123-A183 HydrophobicContact CD1-CB 4.41Å; A152-A183 WeakPolarHBondContact O-CB 3.33Å; A152-A183 PolarHBondContact O-N 3.39Å; G181-A183 PolarHBondContact O-N 2.89Å; A183-N187 WeakPolarHBondContact O-CB 3.19Å; A183-N187 PolarHBondContact O-N 3.39Å; A183-N187 PolarHBondContact O-ND2 3.39Å |
| 184 | E | 90.5 | Very high | 90 | Very high | 162 Ų | 162 | 64.7 Ų | 64.7 | 76% | 0.757 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.5 | -45.1 | -179.4 | -173.4 | 174.6 | 179.5 | 0 | 0 | 111.5 | L186 N187 A188 | E184-L186 PolarHBondContact O-N 2.97Å; E184-N187 WeakPolarHBondContact O-CB 3.22Å; E184-N187 PolarHBondContact O-N 3.34Å; E184-A188 PolarHBondContact O-N 2.9Å |
| 185 | I | 92.4 | Very high | 91 | Very high | 49 Ų | 49 | 66 Ų | 66 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 177.8 | -65.2 | 163.4 | 0 | 0 | 0 | 110.5 | H147 C149 E180 N187 A188 I189 | H147-I185 HydrophobicContact CB-CG2 4.06Å; C149-I185 HydrophobicContact CB-CD1 3.69Å; E180-I185 HydrophobicContact CB-CD1 3.88Å; I185-N187 PolarHBondContact O-N 3.05Å; I185-A188 PolarHBondContact O-N 3.06Å; I185-I189 HydrophobicContact CG2-CD1 3.82Å; I185-I189 VanDerWaalsContact O-CG1 3.32Å; I185-I189 WeakPolarHBondContact O-CG1 3.36Å; I185-I189 PolarHBondContact O-N 2.86Å |
| 186 | L | 91.5 | Very high | 91.5 | Very high | 19 Ų | 19 | 66.1 Ų | 66.1 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.2 | -38 | -179.8 | -171 | 58.7 | 0 | 0 | 0 | 111.9 | F119 I123 I143 C182 E184 A188 I189 V190 | F119-L186 HydrophobicContact CB-CD2 4.23Å; F119-L186 HydrophobicContact CD1-CD2 3.32Å; F119-L186 HydrophobicContact CD1-CG 3.93Å; F119-L186 HydrophobicContact CD2-CD2 4.41Å; F119-L186 HydrophobicContact CD2-CG 4.15Å; F119-L186 HydrophobicContact CE1-CD2 3.67Å; F119-L186 HydrophobicContact CE1-CG 4.08Å; F119-L186 HydrophobicContact CE2-CG 4.23Å; F119-L186 HydrophobicContact CG-CD2 3.76Å; F119-L186 HydrophobicContact CG-CG 3.98Å; F119-L186 HydrophobicContact CZ-CD2 4.32Å; F119-L186 HydrophobicContact CZ-CG 4.24Å; I123-L186 HydrophobicContact CD1-CD2 4.27Å; I143-L186 HydrophobicContact CD1-CD2 4.27Å; C182-L186 WeakPolarHBondContact O-CB 3.49Å; C182-L186 PolarHBondContact O-N 3.49Å; E184-L186 PolarHBondContact O-N 2.97Å; L186-A188 PolarHBondContact O-N 2.74Å; L186-I189 PolarHBondContact O-N 2.94Å; L186-V190 HydrophobicContact CD1-CG2 3.95Å; L186-V190 HydrophobicContact CG-CG2 4.25Å; L186-V190 WeakPolarHBondContact O-CB 3.27Å; L186-V190 VanDerWaalsContact O-CG2 3.25Å; L186-V190 WeakPolarHBondContact O-CG2 3.21Å; L186-V190 PolarHBondContact O-N 2.97Å |
| 187 | N | 90.8 | Very high | 91.7 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -49.8 | 171.8 | -80.8 | -23.1 | 0 | 0 | 0 | 110.9 | M115 G116 F119 A183 E184 I185 I189 V190 Q191 | M115-N187 PolarHBondContact O-OD1 2.68Å; G116-N187 PolarHBondContact O-ND2 3.39Å; F119-N187 WeakPolarHBondContact CD2-OD1 3.28Å; A183-N187 WeakPolarHBondContact O-CB 3.19Å; A183-N187 PolarHBondContact O-N 3.39Å; A183-N187 PolarHBondContact O-ND2 3.39Å; E184-N187 WeakPolarHBondContact O-CB 3.22Å; E184-N187 PolarHBondContact O-N 3.34Å; I185-N187 PolarHBondContact O-N 3.05Å; N187-I189 PolarHBondContact O-N 3.49Å; N187-V190 PolarHBondContact O-N 2.99Å; N187-Q191 VanDerWaalsContact O-CB 3.24Å; N187-Q191 WeakPolarHBondContact O-CB 3.24Å; N187-Q191 WeakPolarHBondContact O-CG 3.45Å; N187-Q191 PolarHBondContact O-N 2.65Å |
| 188 | A | 91.2 | Very high | 91.9 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E184 I185 L186 R192 | E184-A188 PolarHBondContact O-N 2.9Å; I185-A188 PolarHBondContact O-N 3.06Å; L186-A188 PolarHBondContact O-N 2.74Å; A188-R192 PolarHBondContact O-N 3.2Å; A188-R192 VanDerWaalsContact O-N 3.15Å |
| 189 | I | 90.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 26% | 0.256 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 178.1 | -70 | 170.3 | 0 | 0 | 0 | 110.7 | H147 I185 L186 N187 R192 Y193 | H147-I189 WeakPolarHBondContact CE1-CD1 3.49Å; H147-I189 WeakPolarHBondContact ND1-CD1 3.13Å; I185-I189 HydrophobicContact CG2-CD1 3.82Å; I185-I189 VanDerWaalsContact O-CG1 3.32Å; I185-I189 WeakPolarHBondContact O-CG1 3.36Å; I185-I189 PolarHBondContact O-N 2.86Å; L186-I189 PolarHBondContact O-N 2.94Å; N187-I189 PolarHBondContact O-N 3.49Å; I189-R192 WeakPolarHBondContact O-CB 3.35Å; I189-R192 PolarHBondContact O-N 2.98Å; I189-Y193 HydrophobicContact CG2-CD2 3.76Å; I189-Y193 HydrophobicContact CG2-CE2 3.6Å; I189-Y193 VanDerWaalsContact O-CD2 3.25Å; I189-Y193 WeakPolarHBondContact O-CD2 3.01Å; I189-Y193 PolarHBondContact O-N 3.36Å |
| 190 | V | 90 | Very high | 92.4 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.2 | -37.4 | -175 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | M115 F119 L186 N187 R192 Y193 L194 | M115-V190 HydrophobicContact CE-CB 4.23Å; M115-V190 HydrophobicContact CE-CG1 3.28Å; F119-V190 HydrophobicContact CE2-CB 3.62Å; F119-V190 HydrophobicContact CE2-CG1 3.71Å; F119-V190 HydrophobicContact CE2-CG2 3.51Å; F119-V190 HydrophobicContact CZ-CB 4.12Å; F119-V190 HydrophobicContact CZ-CG1 4.04Å; F119-V190 HydrophobicContact CZ-CG2 3.58Å; L186-V190 HydrophobicContact CD1-CG2 3.95Å; L186-V190 HydrophobicContact CG-CG2 4.25Å; L186-V190 WeakPolarHBondContact O-CB 3.27Å; L186-V190 VanDerWaalsContact O-CG2 3.25Å; L186-V190 WeakPolarHBondContact O-CG2 3.21Å; L186-V190 PolarHBondContact O-N 2.97Å; N187-V190 PolarHBondContact O-N 2.99Å; V190-R192 PolarHBondContact O-N 3.13Å; V190-Y193 PolarHBondContact O-N 2.93Å; V190-Y193 VanDerWaalsContact O-N 3.12Å; V190-L194 HydrophobicContact CG1-CD1 4.07Å; V190-L194 HydrophobicContact CG1-CG 4.03Å; V190-L194 VanDerWaalsContact O-CG 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.21Å; V190-L194 PolarHBondContact O-N 2.84Å |
| 191 | Q | 91.6 | Very high | 92.4 | Very high | 52 Ų | 52 | 61.9 Ų | 61.9 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.4 | -41.8 | 170.6 | -77 | -73 | -17.2 | 0 | 0 | 112 | R112 N187 T195 | R112-Q191 VanDerWaalsContact NE-OE1 3.17Å; R112-Q191 PolarHBondContact O-NE2 2.68Å; N187-Q191 VanDerWaalsContact O-CB 3.24Å; N187-Q191 WeakPolarHBondContact O-CB 3.24Å; N187-Q191 WeakPolarHBondContact O-CG 3.45Å; N187-Q191 PolarHBondContact O-N 2.65Å; Q191-T195 WeakPolarHBondContact O-CB 3.37Å; Q191-T195 PolarHBondContact O-N 3.06Å; Q191-T195 PolarHBondContact O-OG1 3.18Å |
| 192 | R | 92.2 | Very high | 92.4 | Very high | 167 Ų | 167 | 64.5 Ų | 64.5 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.3 | -47.5 | 175.5 | 179.6 | -178.9 | -74.9 | -154.5 | -0.8 | 111.2 | A188 I189 V190 T195 Y196 | A188-R192 PolarHBondContact O-N 3.2Å; A188-R192 VanDerWaalsContact O-N 3.15Å; I189-R192 WeakPolarHBondContact O-CB 3.35Å; I189-R192 PolarHBondContact O-N 2.98Å; V190-R192 PolarHBondContact O-N 3.13Å; R192-T195 WeakPolarHBondContact O-CB 3.04Å; R192-T195 PolarHBondContact O-N 3.29Å; R192-Y196 HydrophobicContact CG-CD2 3.91Å; R192-Y196 HydrophobicContact CG-CE2 3.37Å; R192-Y196 WeakPolarHBondContact O-CD2 3.16Å; R192-Y196 PolarHBondContact O-N 2.82Å |
| 193 | Y | 92.1 | Very high | 92.4 | Very high | 149 Ų | 149 | 67.2 Ų | 67.2 | 58% | 0.584 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 175.8 | -78.9 | -69 | 0 | 0 | 0 | 113.6 | I189 V190 T195 Y196 I197 | I189-Y193 HydrophobicContact CG2-CD2 3.76Å; I189-Y193 HydrophobicContact CG2-CE2 3.6Å; I189-Y193 VanDerWaalsContact O-CD2 3.25Å; I189-Y193 WeakPolarHBondContact O-CD2 3.01Å; I189-Y193 PolarHBondContact O-N 3.36Å; V190-Y193 PolarHBondContact O-N 2.93Å; V190-Y193 VanDerWaalsContact O-N 3.12Å; Y193-T195 VanDerWaalsContact C-N 3.25Å; Y193-T195 PolarHBondContact O-N 3.25Å; Y193-Y196 PolarHBondContact O-N 2.97Å; Y193-Y196 VanDerWaalsContact O-N 3.16Å; Y193-I197 WeakPolarHBondContact O-CG1 3.19Å; Y193-I197 PolarHBondContact O-N 3.17Å |
| 194 | L | 92.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 68.7 Ų | 68.7 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 175.6 | -66.1 | 175 | 0 | 0 | 0 | 110.9 | T108 L111 R112 M115 V190 I197 I198 | T108-L194 HydrophobicContact CG2-CB 4.05Å; T108-L194 HydrophobicContact CG2-CD2 3.58Å; T108-L194 HydrophobicContact CG2-CG 4.37Å; L111-L194 HydrophobicContact CD2-CD2 3.93Å; L111-L194 HydrophobicContact CG-CD1 4.37Å; L111-L194 HydrophobicContact CG-CD2 4.49Å; R112-L194 HydrophobicContact CB-CD1 4.05Å; R112-L194 HydrophobicContact CG-CD1 4.3Å; M115-L194 HydrophobicContact CE-CD1 4.13Å; M115-L194 HydrophobicContact CG-CD1 3.73Å; M115-L194 HydrophobicContact SD-CD1 4.25Å; V190-L194 HydrophobicContact CG1-CD1 4.07Å; V190-L194 HydrophobicContact CG1-CG 4.03Å; V190-L194 VanDerWaalsContact O-CG 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.21Å; V190-L194 PolarHBondContact O-N 2.84Å; L194-I197 PolarHBondContact O-N 2.03Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.45Å; L194-I198 PolarHBondContact O-N 3.43Å |
| 195 | T | 93.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176 | -57 | 0 | 0 | 0 | 0 | 111.6 | Q191 R192 Y193 I198 S199 | Q191-T195 WeakPolarHBondContact O-CB 3.37Å; Q191-T195 PolarHBondContact O-N 3.06Å; Q191-T195 PolarHBondContact O-OG1 3.18Å; R192-T195 WeakPolarHBondContact O-CB 3.04Å; R192-T195 PolarHBondContact O-N 3.29Å; Y193-T195 VanDerWaalsContact C-N 3.25Å; Y193-T195 PolarHBondContact O-N 3.25Å; T195-I198 PolarHBondContact O-N 2.96Å; T195-S199 WeakPolarHBondContact O-CB 3.27Å; T195-S199 PolarHBondContact O-N 3.49Å; T195-S199 PolarHBondContact O-OG 2.89Å |
| 196 | Y | 94.3 | Very high | 92.8 | Very high | 136 Ų | 136 | 63.4 Ų | 63.4 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 174.3 | -72.8 | -55.9 | 0 | 0 | 0 | 113 | R192 Y193 S199 L200 | R192-Y196 HydrophobicContact CG-CD2 3.91Å; R192-Y196 HydrophobicContact CG-CE2 3.37Å; R192-Y196 WeakPolarHBondContact O-CD2 3.16Å; R192-Y196 PolarHBondContact O-N 2.82Å; Y193-Y196 PolarHBondContact O-N 2.97Å; Y193-Y196 VanDerWaalsContact O-N 3.16Å; Y196-S199 WeakPolarHBondContact CA-OG 3.32Å; Y196-S199 PolarHBondContact O-OG 3.1Å; Y196-L200 VanDerWaalsContact O-CB 3.29Å; Y196-L200 WeakPolarHBondContact O-CB 3.28Å; Y196-L200 PolarHBondContact O-N 3.34Å |
| 197 | I | 92.6 | Very high | 93 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 176.9 | -69.1 | 168 | 0 | 0 | 0 | 110.4 | T108 Y193 L194 S199 L200 L201 | T108-I197 HydrophobicContact CG2-CG2 4.34Å; Y193-I197 WeakPolarHBondContact O-CG1 3.19Å; Y193-I197 PolarHBondContact O-N 3.17Å; L194-I197 PolarHBondContact O-N 2.03Å; I197-S199 PolarHBondContact O-N 2.97Å; I197-L200 PolarHBondContact O-N 3.2Å; I197-L201 HydrophobicContact CG2-CD1 3.84Å; I197-L201 HydrophobicContact CG2-CG 4.46Å; I197-L201 WeakPolarHBondContact O-CB 3.26Å; I197-L201 WeakPolarHBondContact O-CG 3.07Å; I197-L201 PolarHBondContact O-N 2.85Å |
| 198 | I | 93.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 64 Ų | 64 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 178.3 | -68.4 | 163.9 | 0 | 0 | 0 | 110.5 | T108 L194 T195 L201 S202 | T108-I198 HydrophobicContact CG2-CD1 3.91Å; T108-I198 HydrophobicContact CG2-CG1 3.67Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.45Å; L194-I198 PolarHBondContact O-N 3.43Å; T195-I198 PolarHBondContact O-N 2.96Å; I198-L201 PolarHBondContact O-N 3.4Å; I198-S202 VanDerWaalsContact O-CB 3.26Å; I198-S202 WeakPolarHBondContact O-CB 3.44Å; I198-S202 PolarHBondContact O-N 3.41Å; I198-S202 PolarHBondContact O-OG 3.36Å |
| 199 | S | 94 | Very high | 93.4 | Very high | 60 Ų | 60 | 65.4 Ų | 65.4 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | -179 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | T195 Y196 I197 S202 A203 | T195-S199 WeakPolarHBondContact O-CB 3.27Å; T195-S199 PolarHBondContact O-N 3.49Å; T195-S199 PolarHBondContact O-OG 2.89Å; Y196-S199 WeakPolarHBondContact CA-OG 3.32Å; Y196-S199 PolarHBondContact O-OG 3.1Å; I197-S199 PolarHBondContact O-N 2.97Å; S199-S202 PolarHBondContact O-N 3.01Å; S199-S202 PolarHBondContact O-OG 3.03Å; S199-A203 PolarHBondContact O-N 2.97Å |
| 200 | L | 93.2 | Very high | 93.7 | Very high | 112 Ų | 112 | 64.8 Ų | 64.8 | 59% | 0.586 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.6 | -50.3 | 176.8 | -178.4 | 63.2 | 0 | 0 | 0 | 111.7 | Y196 I197 S202 A203 V204 | Y196-L200 VanDerWaalsContact O-CB 3.29Å; Y196-L200 WeakPolarHBondContact O-CB 3.28Å; Y196-L200 PolarHBondContact O-N 3.34Å; I197-L200 PolarHBondContact O-N 3.2Å; L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 PolarHBondContact O-N 3.06Å; L200-A203 PolarHBondContact O-N 3.16Å; L200-A203 VanDerWaalsContact O-N 3.13Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 3.35Å |
| 201 | L | 93.2 | Very high | 94.1 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -36 | -179.9 | -70 | 174.3 | 0 | 0 | 0 | 112.3 | V104 I105 I197 I198 A203 V204 L205 | V104-L201 HydrophobicContact CB-CD1 3.96Å; V104-L201 HydrophobicContact CG1-CD1 3.44Å; V104-L201 VanDerWaalsContact CG1-CD1 3.44Å; I105-L201 HydrophobicContact CD1-CB 3.77Å; I105-L201 HydrophobicContact CG1-CB 3.64Å; I105-L201 HydrophobicContact CG1-CD1 3.93Å; I105-L201 HydrophobicContact CG1-CG 4.46Å; I197-L201 HydrophobicContact CG2-CD1 3.84Å; I197-L201 HydrophobicContact CG2-CG 4.46Å; I197-L201 WeakPolarHBondContact O-CB 3.26Å; I197-L201 WeakPolarHBondContact O-CG 3.07Å; I197-L201 PolarHBondContact O-N 2.85Å; I198-L201 PolarHBondContact O-N 3.4Å; L201-A203 PolarHBondContact O-N 2.78Å; L201-V204 PolarHBondContact O-N 3.29Å; L201-L205 PolarHBondContact O-N 3.46Å |
| 202 | S | 93.4 | Very high | 94.4 | Very high | 65 Ų | 65 | 62.6 Ų | 62.6 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -27.1 | 175.4 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | I198 S199 L200 P206 | I198-S202 VanDerWaalsContact O-CB 3.26Å; I198-S202 WeakPolarHBondContact O-CB 3.44Å; I198-S202 PolarHBondContact O-N 3.41Å; I198-S202 PolarHBondContact O-OG 3.36Å; S199-S202 PolarHBondContact O-N 3.01Å; S199-S202 PolarHBondContact O-OG 3.03Å; L200-S202 VanDerWaalsContact C-N 3.32Å; L200-S202 PolarHBondContact O-N 3.06Å; S202-P206 WeakPolarHBondContact O-CD 3.37Å; S202-P206 WeakPolarHBondContact O-CG 3.35Å |
| 203 | A | 93.6 | Very high | 94.6 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 50% | 0.496 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -84.5 | -32.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S199 L200 L201 P206 | S199-A203 PolarHBondContact O-N 2.97Å; L200-A203 PolarHBondContact O-N 3.16Å; L200-A203 VanDerWaalsContact O-N 3.13Å; L201-A203 PolarHBondContact O-N 2.78Å; A203-P206 WeakPolarHBondContact O-CD 3.33Å; A203-P206 WeakPolarHBondContact O-CG 3.12Å |
| 204 | V | 93.9 | Very high | 94.8 | Very high | 33 Ų | 33 | 52.1 Ų | 52.1 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.8 | -42 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | L200 L201 M207 E208 | L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 3.35Å; L201-V204 PolarHBondContact O-N 3.29Å; V204-M207 HydrophobicContact CG1-CE 4.42Å; V204-M207 CarbonylContact O-C 3.32Å; V204-M207 WeakPolarHBondContact O-CA 3.48Å; V204-M207 WeakPolarHBondContact O-CB 3.29Å; V204-M207 PolarHBondContact O-N 3.17Å; V204-M207 VanDerWaalsContact O-N 3.08Å; V204-E208 HydrophobicContact CG1-CG 4.09Å; V204-E208 WeakPolarHBondContact O-CG 3.05Å; V204-E208 PolarHBondContact O-N 2.91Å |
| 205 | L | 95.2 | Very high | 95 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 15% | 0.152 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -54.8 | -51.8 | 179.9 | -73.9 | 178.3 | 0 | 0 | 0 | 114.7 | A98 I102 I105 L201 M207 E208 I209 | A98-L205 HydrophobicContact CB-CD2 4.08Å; I102-L205 HydrophobicContact CG1-CD1 3.94Å; I102-L205 HydrophobicContact CG1-CD2 4.2Å; I105-L205 HydrophobicContact CD1-CD1 3.46Å; I105-L205 VanDerWaalsContact CD1-CD1 3.46Å; I105-L205 HydrophobicContact CD1-CG 4.36Å; L201-L205 PolarHBondContact O-N 3.46Å; L205-M207 VanDerWaalsContact C-N 3.26Å; L205-M207 PolarHBondContact O-N 2.86Å; L205-E208 PolarHBondContact O-N 3.18Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 2.89Å |
| 206 | P | 95.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 53 Ų | 53 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -30.4 | 176.3 | 24.9 | -33.3 | 0 | 0 | 0 | 112.2 | S202 A203 A210 | S202-P206 WeakPolarHBondContact O-CD 3.37Å; S202-P206 WeakPolarHBondContact O-CG 3.35Å; A203-P206 WeakPolarHBondContact O-CD 3.33Å; A203-P206 WeakPolarHBondContact O-CG 3.12Å; P206-A210 WeakPolarHBondContact O-CB 3.31Å; P206-A210 PolarHBondContact O-N 3.33Å |
| 207 | M | 95.3 | Very high | 95.2 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 173.5 | -177 | -176.3 | 69.4 | 0 | 0 | 111.8 | V204 L205 S211 | V204-M207 HydrophobicContact CG1-CE 4.42Å; V204-M207 CarbonylContact O-C 3.32Å; V204-M207 WeakPolarHBondContact O-CA 3.48Å; V204-M207 WeakPolarHBondContact O-CB 3.29Å; V204-M207 PolarHBondContact O-N 3.17Å; V204-M207 VanDerWaalsContact O-N 3.08Å; L205-M207 VanDerWaalsContact C-N 3.26Å; L205-M207 PolarHBondContact O-N 2.86Å; M207-S211 WeakPolarHBondContact O-CB 3.12Å; M207-S211 PolarHBondContact O-N 3.24Å; M207-S211 PolarHBondContact O-OG 3.42Å |
| 208 | E | 96.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 174.5 | -71.2 | 177.3 | 168.8 | 0 | 0 | 111 | L94 A98 V204 L205 A210 S211 M212 | L94-E208 HydrophobicContact CD2-CB 4.14Å; L94-E208 HydrophobicContact CD2-CG 4.07Å; A98-E208 WeakPolarHBondContact CA-OE2 2.99Å; A98-E208 WeakPolarHBondContact CB-OE2 3.36Å; A98-E208 PolarHBondContact N-OE2 3.37Å; V204-E208 HydrophobicContact CG1-CG 4.09Å; V204-E208 WeakPolarHBondContact O-CG 3.05Å; V204-E208 PolarHBondContact O-N 2.91Å; L205-E208 PolarHBondContact O-N 3.18Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A210 PolarHBondContact O-N 3.28Å; E208-S211 CarbonylContact O-C 3.22Å; E208-S211 WeakPolarHBondContact O-CA 3.44Å; E208-S211 WeakPolarHBondContact O-CB 3.38Å; E208-S211 PolarHBondContact O-N 3.48Å; E208-S211 VanDerWaalsContact O-N 3.08Å; E208-M212 WeakPolarHBondContact O-CG 3.35Å; E208-M212 PolarHBondContact O-N 3.23Å |
| 209 | I | 95.9 | Very high | 95.2 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 176.9 | -64.7 | 167.7 | 0 | 0 | 0 | 110.5 | L205 S211 M212 V213 | L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 2.89Å; I209-S211 VanDerWaalsContact C-N 3.28Å; I209-S211 PolarHBondContact O-N 2.95Å; I209-M212 WeakPolarHBondContact O-CB 3.33Å; I209-M212 PolarHBondContact O-N 3.46Å; I209-V213 WeakPolarHBondContact O-CG2 3.38Å; I209-V213 PolarHBondContact O-N 2.67Å |
| 210 | A | 97 | Very high | 95.1 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F17 P206 E208 V213 C214 | F17-A210 HydrophobicContact CE1-CB 4.13Å; F17-A210 HydrophobicContact CZ-CB 3.85Å; P206-A210 WeakPolarHBondContact O-CB 3.31Å; P206-A210 PolarHBondContact O-N 3.33Å; E208-A210 VanDerWaalsContact C-N 3.34Å; E208-A210 PolarHBondContact O-N 3.28Å; A210-V213 PolarHBondContact O-N 3.49Å; A210-C214 VanDerWaalsContact O-CB 3.24Å; A210-C214 WeakPolarHBondContact O-CB 3.34Å; A210-C214 PolarHBondContact O-N 3.44Å; A210-C214 PolarHBondContact O-SG 3.16Å |
| 211 | S | 97.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | S21 Y90 M207 E208 I209 G215 | S21-S211 PolarHBondContact OG-OG 3.4Å; Y90-S211 WeakPolarHBondContact OH-CB 3.36Å; M207-S211 WeakPolarHBondContact O-CB 3.12Å; M207-S211 PolarHBondContact O-N 3.24Å; M207-S211 PolarHBondContact O-OG 3.42Å; E208-S211 CarbonylContact O-C 3.22Å; E208-S211 WeakPolarHBondContact O-CA 3.44Å; E208-S211 WeakPolarHBondContact O-CB 3.38Å; E208-S211 PolarHBondContact O-N 3.48Å; E208-S211 VanDerWaalsContact O-N 3.08Å; I209-S211 VanDerWaalsContact C-N 3.28Å; I209-S211 PolarHBondContact O-N 2.95Å; S211-G215 PolarHBondContact O-N 3.48Å |
| 212 | M | 97 | Very high | 94.6 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 15% | 0.148 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -51.9 | 172.7 | -63.2 | 173.3 | -169.1 | 0 | 0 | 111 | L94 I95 A98 E208 I209 C214 G215 I216 | L94-M212 HydrophobicContact CB-CE 3.49Å; L94-M212 VanDerWaalsContact CB-CE 3.49Å; L94-M212 HydrophobicContact CB-CG 3.82Å; L94-M212 HydrophobicContact CB-SD 4.46Å; L94-M212 HydrophobicContact CD1-CB 4.34Å; L94-M212 HydrophobicContact CD1-CG 3.54Å; L94-M212 HydrophobicContact CG-CG 4.32Å; L94-M212 WeakPolarHBondContact O-CE 3.24Å; I95-M212 HydrophobicContact CG1-CE 3.99Å; I95-M212 HydrophobicContact CG1-SD 4.32Å; A98-M212 HydrophobicContact CB-CE 4.17Å; E208-M212 WeakPolarHBondContact O-CG 3.35Å; E208-M212 PolarHBondContact O-N 3.23Å; I209-M212 WeakPolarHBondContact O-CB 3.33Å; I209-M212 PolarHBondContact O-N 3.46Å; M212-C214 PolarHBondContact O-N 2.88Å; M212-G215 PolarHBondContact O-N 3.04Å; M212-I216 WeakPolarHBondContact O-CG1 3.42Å; M212-I216 PolarHBondContact O-N 2.03Å; M212-I216 VanDerWaalsContact O-N 3.15Å |
| 213 | V | 97.2 | Very high | 94.3 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | -179.8 | 175.1 | 0 | 0 | 0 | 0 | 110.3 | I209 A210 G215 I216 L217 | I209-V213 WeakPolarHBondContact O-CG2 3.38Å; I209-V213 PolarHBondContact O-N 2.67Å; A210-V213 PolarHBondContact O-N 3.49Å; V213-G215 VanDerWaalsContact C-N 3.31Å; V213-G215 PolarHBondContact O-N 3.21Å; V213-I216 PolarHBondContact O-N 2.97Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 HydrophobicContact CG1-CG 4.25Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.11Å; V213-L217 PolarHBondContact O-N 2.97Å |
| 214 | C | 97 | Very high | 93.8 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 14% | 0.135 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 178 | -72 | 0 | 0 | 0 | 0 | 112.4 | L14 F17 L18 A210 M212 L217 M218 | L14-C214 HydrophobicContact CD2-CB 3.81Å; L14-C214 VanDerWaalsContact CD2-SG 3.56Å; F17-C214 HydrophobicContact CD1-CB 4.18Å; F17-C214 HydrophobicContact CE1-CB 4.48Å; L18-C214 HydrophobicContact CD1-CB 4.2Å; L18-C214 HydrophobicContact CD2-CB 4.01Å; L18-C214 HydrophobicContact CG-CB 4.01Å; A210-C214 VanDerWaalsContact O-CB 3.24Å; A210-C214 WeakPolarHBondContact O-CB 3.34Å; A210-C214 PolarHBondContact O-N 3.44Å; A210-C214 PolarHBondContact O-SG 3.16Å; M212-C214 PolarHBondContact O-N 2.88Å; C214-L217 PolarHBondContact O-N 3.39Å; C214-M218 VanDerWaalsContact O-CB 3.23Å; C214-M218 WeakPolarHBondContact O-CB 3.4Å; C214-M218 PolarHBondContact O-N 3.2Å |
| 215 | G | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | S211 M212 V213 M218 L219 | S211-G215 PolarHBondContact O-N 3.48Å; M212-G215 PolarHBondContact O-N 3.04Å; V213-G215 VanDerWaalsContact C-N 3.31Å; V213-G215 PolarHBondContact O-N 3.21Å; G215-M218 PolarHBondContact O-N 2.79Å; G215-L219 PolarHBondContact O-N 3.3Å |
| 216 | I | 95.6 | Very high | 92.4 | Very high | 87 Ų | 87 | 46.7 Ų | 46.7 | 45% | 0.446 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 176.2 | -63.6 | 167.6 | 0 | 0 | 0 | 110.9 | M212 V213 M218 L219 N220 | M212-I216 WeakPolarHBondContact O-CG1 3.42Å; M212-I216 PolarHBondContact O-N 2.03Å; M212-I216 VanDerWaalsContact O-N 3.15Å; V213-I216 PolarHBondContact O-N 2.97Å; I216-M218 VanDerWaalsContact C-N 3.34Å; I216-M218 PolarHBondContact O-N 2.9Å; I216-L219 WeakPolarHBondContact O-CB 3.37Å; I216-L219 PolarHBondContact O-N 2.8Å; I216-N220 PolarHBondContact O-N 3.04Å; I216-N220 VanDerWaalsContact O-N 3.16Å |
| 217 | L | 95.2 | Very high | 91.4 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 41% | 0.414 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 178.4 | -68.4 | 176.9 | 0 | 0 | 0 | 111.7 | L14 V213 C214 L219 N220 K221 | L14-L217 HydrophobicContact CD1-CB 3.8Å; L14-L217 HydrophobicContact CD2-CB 4.33Å; L14-L217 HydrophobicContact CD2-CD1 4.34Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 HydrophobicContact CG1-CG 4.25Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.11Å; V213-L217 PolarHBondContact O-N 2.97Å; C214-L217 PolarHBondContact O-N 3.39Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L219 PolarHBondContact O-N 2.84Å; L217-N220 PolarHBondContact O-N 3.43Å; L217-K221 PolarHBondContact O-N 2.8Å; L217-K221 VanDerWaalsContact O-N 3.1Å |
| 218 | M | 93.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 176.5 | -174.4 | -176.4 | 175.7 | 0 | 0 | 111 | Y11 L18 F78 V79 C214 G215 I216 N220 K221 V222 | Y11-M218 HydrophobicContact CD2-CG 4.13Å; Y11-M218 HydrophobicContact CE2-CE 3.72Å; Y11-M218 HydrophobicContact CE2-CG 3.76Å; Y11-M218 WeakPolarHBondContact OH-CE 2.98Å; L18-M218 HydrophobicContact CD1-CB 4.47Å; L18-M218 HydrophobicContact CD1-SD 3.81Å; F78-M218 HydrophobicContact CE1-SD 4Å; F78-M218 HydrophobicContact CZ-CB 4.24Å; F78-M218 HydrophobicContact CZ-CG 4.36Å; F78-M218 HydrophobicContact CZ-SD 3.92Å; V79-M218 HydrophobicContact CG1-CE 4.16Å; V79-M218 HydrophobicContact CG2-SD 4.27Å; C214-M218 VanDerWaalsContact O-CB 3.23Å; C214-M218 WeakPolarHBondContact O-CB 3.4Å; C214-M218 PolarHBondContact O-N 3.2Å; G215-M218 PolarHBondContact O-N 2.79Å; I216-M218 VanDerWaalsContact C-N 3.34Å; I216-M218 PolarHBondContact O-N 2.9Å; M218-N220 VanDerWaalsContact C-N 3.28Å; M218-N220 PolarHBondContact O-N 2.87Å; M218-K221 PolarHBondContact O-N 3.08Å; M218-V222 VanDerWaalsContact O-CB 3.28Å; M218-V222 WeakPolarHBondContact O-CB 3.03Å; M218-V222 PolarHBondContact O-N 3.23Å |
| 219 | L | 93 | Very high | 89.4 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -27.1 | 176.1 | -82.3 | -174 | 0 | 0 | 0 | 114.7 | F78 R84 N87 G215 I216 L217 V222 K223 | F78-L219 HydrophobicContact CE2-CD2 3.71Å; F78-L219 HydrophobicContact CE2-CG 3.87Å; F78-L219 HydrophobicContact CZ-CD2 4.42Å; F78-L219 HydrophobicContact CZ-CG 4.16Å; R84-L219 HydrophobicContact CB-CD1 4.42Å; R84-L219 HydrophobicContact CG-CD1 4.16Å; R84-L219 HydrophobicContact CG-CD2 3.91Å; N87-L219 HydrophobicContact CB-CD1 3.59Å; N87-L219 HydrophobicContact CB-CD2 4.44Å; N87-L219 HydrophobicContact CB-CG 4.14Å; N87-L219 WeakPolarHBondContact ND2-CD1 3.4Å; G215-L219 PolarHBondContact O-N 3.3Å; I216-L219 WeakPolarHBondContact O-CB 3.37Å; I216-L219 PolarHBondContact O-N 2.8Å; L217-L219 VanDerWaalsContact C-N 3.34Å; L217-L219 PolarHBondContact O-N 2.84Å; L219-V222 HydrophobicContact CD2-CG1 4.37Å; L219-V222 WeakPolarHBondContact O-CG1 3.33Å; L219-K223 WeakPolarHBondContact O-CE 3.46Å |
| 220 | N | 91.4 | Very high | 88.3 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -77.8 | -43.1 | 175 | -73.8 | -23.9 | 0 | 0 | 0 | 110.7 | I216 L217 M218 | I216-N220 PolarHBondContact O-N 3.04Å; I216-N220 VanDerWaalsContact O-N 3.16Å; L217-N220 PolarHBondContact O-N 3.43Å; M218-N220 VanDerWaalsContact C-N 3.28Å; M218-N220 PolarHBondContact O-N 2.87Å |
| 221 | K | 88.9 | Confident | 87 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 15% | 0.148 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.4 | -32.9 | 178.4 | -68.3 | -169.2 | 179.7 | -67.1 | 0 | 113.8 | D7 Q10 Y11 L14 L217 M218 K223 S224 I225 | D7-K221 IonicContact OD1-NZ 3.55Å; D7-K221 PolarHBondContact OD1-NZ 3.29Å; Q10-K221 HydrophobicContact CB-CD 4.1Å; Y11-K221 HydrophobicContact CD2-CB 4.19Å; L14-K221 HydrophobicContact CD1-CD 4.24Å; L217-K221 PolarHBondContact O-N 2.8Å; L217-K221 VanDerWaalsContact O-N 3.1Å; M218-K221 PolarHBondContact O-N 3.08Å; K221-K223 PolarHBondContact O-N 3.47Å; K221-K223 VanDerWaalsContact O-N 3.07Å; K221-S224 PolarHBondContact O-N 2.67Å; K221-S224 PolarHBondContact O-OG 3.46Å; K221-I225 WeakPolarHBondContact O-CG1 3.45Å; K221-I225 PolarHBondContact O-N 3.17Å |
| 222 | V | 88.1 | Confident | 85.4 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.3 | -179.3 | 78.5 | 0 | 0 | 0 | 0 | 112.3 | Y11 M218 L219 R230 | Y11-V222 HydrophobicContact CE2-CB 4.16Å; Y11-V222 HydrophobicContact CE2-CG2 4.24Å; M218-V222 VanDerWaalsContact O-CB 3.28Å; M218-V222 WeakPolarHBondContact O-CB 3.03Å; M218-V222 PolarHBondContact O-N 3.23Å; L219-V222 HydrophobicContact CD2-CG1 4.37Å; L219-V222 WeakPolarHBondContact O-CG1 3.33Å; V222-R230 PolarHBondContact O-NH2 3.34Å |
| 223 | K | 85.5 | Confident | 83.5 | Confident | 117 Ų | 117 | 71.4 Ų | 71.4 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -30.5 | 176.4 | -58.3 | 179.2 | -153.9 | 175 | 0 | 113.1 | L219 K221 | L219-K223 WeakPolarHBondContact O-CE 3.46Å; K221-K223 PolarHBondContact O-N 3.47Å; K221-K223 VanDerWaalsContact O-N 3.07Å |
| 224 | S | 83.5 | Confident | 81.1 | Confident | 69 Ų | 69 | 76.8 Ų | 76.8 | 48% | 0.483 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.3 | 179.4 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | K221 | K221-S224 PolarHBondContact O-N 2.67Å; K221-S224 PolarHBondContact O-OG 3.46Å |
| 225 | I | 81.7 | Confident | 80.3 | Confident | 11 Ų | 11 | 79.6 Ų | 79.6 | 6% | 0.056 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -105.4 | 117.8 | -175 | -60.9 | 173.8 | 0 | 0 | 0 | 110.2 | Y11 K221 T229 R230 | Y11-I225 HydrophobicContact CD1-CD1 3.75Å; Y11-I225 HydrophobicContact CD2-CD1 3.77Å; Y11-I225 HydrophobicContact CE1-CD1 4.41Å; Y11-I225 HydrophobicContact CE2-CD1 4.41Å; Y11-I225 HydrophobicContact CG-CD1 3.38Å; K221-I225 WeakPolarHBondContact O-CG1 3.45Å; K221-I225 PolarHBondContact O-N 3.17Å; I225-T229 WeakPolarHBondContact CG2-OG1 3.48Å; I225-R230 HydrophobicContact CG2-CG 3.99Å; I225-R230 PolarHBondContact O-NE 3.43Å; I225-R230 PolarHBondContact O-NH2 3.5Å |
| 226 | P | 77.7 | Confident | 79.4 | Confident | 76 Ų | 76 | 83.8 Ų | 83.8 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | trans | -63.1 | 149.9 | 178.5 | 24.1 | -30.7 | 0 | 0 | 0 | 111.4 | K228 T229 | P226-K228 VanDerWaalsContact C-N 3.29Å; P226-K228 PolarHBondContact O-N 3.19Å; P226-T229 HydrophobicContact CG-CG2 4.26Å; P226-T229 PolarHBondContact O-N 3.19Å; P226-T229 VanDerWaalsContact O-N 3.12Å; P226-T229 PolarHBondContact O-OG1 3.22Å | ||
| 227 | W | 75.9 | Confident | 78.5 | Confident | 180 Ų | 180 | 83.6 Ų | 83.6 | 68% | 0.682 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -57.3 | -39.3 | -171 | -167.5 | 70.7 | 0 | 0 | 0 | 113.5 | T229 R230 F231 | W227-T229 VanDerWaalsContact C-N 3.3Å; W227-T229 PolarHBondContact O-N 3.03Å; W227-R230 WeakPolarHBondContact O-CB 3.31Å; W227-R230 PolarHBondContact O-N 3.27Å; W227-R230 VanDerWaalsContact O-N 3.13Å; W227-F231 HydrophobicContact CZ2-CE2 4.33Å; W227-F231 AromaticContact NE1-CE2 3.99Å |
| 228 | K | 73.9 | Confident | 77.5 | Confident | 189 Ų | 189 | 83.9 Ų | 83.9 | 82% | 0.822 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -59.4 | -33.5 | 179 | -69.1 | -170.2 | 178.2 | -172.6 | 0 | 113.8 | P226 R230 | P226-K228 VanDerWaalsContact C-N 3.29Å; P226-K228 PolarHBondContact O-N 3.19Å; K228-R230 VanDerWaalsContact C-N 3.33Å |
| 229 | T | 75 | Confident | 76.5 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -83.7 | -7.6 | -178.9 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | I225 P226 W227 F231 | I225-T229 WeakPolarHBondContact CG2-OG1 3.48Å; P226-T229 HydrophobicContact CG-CG2 4.26Å; P226-T229 PolarHBondContact O-N 3.19Å; P226-T229 VanDerWaalsContact O-N 3.12Å; P226-T229 PolarHBondContact O-OG1 3.22Å; W227-T229 VanDerWaalsContact C-N 3.3Å; W227-T229 PolarHBondContact O-N 3.03Å; T229-F231 VanDerWaalsContact C-N 3.32Å; T229-F231 PolarHBondContact O-N 3.04Å |
| 230 | R | 71.8 | Confident | 75.4 | Confident | 51 Ų | 51 | 93.7 Ų | 93.7 | 19% | 0.192 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -73.5 | -23.2 | -179.4 | -61.6 | -177 | -172.1 | 174.8 | 2.5 | 113.8 | K15 V222 I225 W227 K228 | K15-R230 PolarHBondContact NZ-O 3.03Å; V222-R230 PolarHBondContact O-NH2 3.34Å; I225-R230 HydrophobicContact CG2-CG 3.99Å; I225-R230 PolarHBondContact O-NE 3.43Å; I225-R230 PolarHBondContact O-NH2 3.5Å; W227-R230 WeakPolarHBondContact O-CB 3.31Å; W227-R230 PolarHBondContact O-N 3.27Å; W227-R230 VanDerWaalsContact O-N 3.13Å; K228-R230 VanDerWaalsContact C-N 3.33Å |
| 231 | F | 70.8 | Confident | 74.3 | Confident | 96 Ų | 96 | 93.9 Ų | 93.9 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -120 | 1.2 | -177.9 | -59.6 | -76.5 | 0 | 0 | 0 | 113.7 | L80 W227 T229 H233 | L80-F231 WeakPolarHBondContact O-CZ 3.34Å; W227-F231 HydrophobicContact CZ2-CE2 4.33Å; W227-F231 AromaticContact NE1-CE2 3.99Å; T229-F231 VanDerWaalsContact C-N 3.32Å; T229-F231 PolarHBondContact O-N 3.04Å; F231-H233 PolarHBondContact O-CD2 2.95Å; F231-H233 PolarHBondContact O-N 2.93Å |
| 232 | A | 64.6 | Low | 73.2 | Confident | 47 Ų | 47 | 98.5 Ų | 98.5 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | trans | -63.2 | 107.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | R12 | R12-A232 PolarHBondContact NH2-O 3.31Š| ||
| 233 | H | 55.5 | Low | 71.9 | Confident | 178 Ų | 178 | 105.9 Ų | 105.9 | 82% | 0.824 | 55% | 0.547 | S | S | * | . | trans | -67.6 | 132.5 | 156.3 | -68.3 | -84.6 | 0 | 0 | 0 | 106.6 | F231 | F231-H233 PolarHBondContact O-CD2 2.95Å; F231-H233 PolarHBondContact O-N 2.93Å | ||
| 234 | C | 47.1 | Very low | 70.7 | Confident | 188 Ų | 188 | 104.9 Ų | 104.9 | 100% | 1.27 | 55% | 0.551 | S | S | * | * | trans | -63.5 | 0 | 167.2 | -71.8 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 234 of 234 residues in 439.2 ms
(Link to these results)