| 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 | 42.9 | Very low | 42.8 | Very low | 120 Ų | 120 | 61.9 Ų | 61.9 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | 0 | 118.9 | 0 | -87.4 | 176.6 | -73.6 | 0 | 0 | 107.3 | D5 R95 | M1-D5 VanDerWaalsContact CA-OD2 3.27Å; M1-D5 WeakPolarHBondContact CA-OD2 3.31Å; M1-D5 HydrophobicContact CB-CB 4.19Å; M1-D5 HydrophobicContact CG-CB 3.96Å; M1-R95 HydrophobicContact CE-CG 4.2Å | |||
| 2 | T | 40.3 | Very low | 43.4 | Very low | 91 Ų | 91 | 57.1 Ų | 57.1 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | trans | -81.6 | 163.4 | 172.1 | 58.4 | 0 | 0 | 0 | 0 | 109.1 | R4 D5 | T2-R4 PolarHBondContact O-N 2.87Å; T2-D5 PolarHBondContact N-OD2 3.18Å; T2-D5 PolarHBondContact O-N 2.98Å | ||
| 3 | S | 40.1 | Very low | 44.1 | Very low | 106 Ų | 106 | 52.8 Ų | 52.8 | 74% | 0.741 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -49.3 | -25.5 | 175.1 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | C6 A7 | S3-C6 WeakPolarHBondContact O-CB 3.1Å; S3-C6 PolarHBondContact O-N 3.43Å; S3-A7 PolarHBondContact O-N 3.49Å |
| 4 | R | 35.3 | Very low | 44.7 | Very low | 193 Ų | 193 | 50.9 Ų | 50.9 | 73% | 0.728 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.7 | -44.2 | 175.8 | -171 | 174.8 | -178.8 | 168.2 | 0.4 | 113.6 | T2 C6 A7 V8 | T2-R4 PolarHBondContact O-N 2.87Å; R4-C6 PolarHBondContact O-N 3.33Å; R4-A7 PolarHBondContact O-N 3.45Å; R4-V8 WeakPolarHBondContact O-CG2 3.3Å; R4-V8 PolarHBondContact O-N 2.93Å |
| 5 | D | 37.5 | Very low | 44.9 | Very low | 53 Ų | 53 | 49.1 Ų | 49.1 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -31.6 | 178 | -69.5 | -44.9 | 0 | 0 | 0 | 111.4 | M1 T2 R9 | M1-D5 VanDerWaalsContact CA-OD2 3.27Å; M1-D5 WeakPolarHBondContact CA-OD2 3.31Å; M1-D5 HydrophobicContact CB-CB 4.19Å; M1-D5 HydrophobicContact CG-CB 3.96Å; T2-D5 PolarHBondContact N-OD2 3.18Å; T2-D5 PolarHBondContact O-N 2.98Å; D5-R9 WeakPolarHBondContact O-CB 3.49Å; D5-R9 VanDerWaalsContact O-CD 3.23Å; D5-R9 WeakPolarHBondContact O-CD 3.5Å; D5-R9 WeakPolarHBondContact O-CG 3.35Å; D5-R9 PolarHBondContact O-N 3.16Å |
| 6 | C | 41.2 | Very low | 45.1 | Very low | 27 Ų | 27 | 46.3 Ų | 46.3 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.5 | -50.4 | 178.8 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | S3 R4 V8 R9 A10 Y87 | S3-C6 WeakPolarHBondContact O-CB 3.1Å; S3-C6 PolarHBondContact O-N 3.43Å; R4-C6 PolarHBondContact O-N 3.33Å; C6-V8 PolarHBondContact O-N 3.46Å; C6-R9 PolarHBondContact O-N 3.25Å; C6-A10 PolarHBondContact O-N 3.22Å; C6-Y87 VanDerWaalsContact CA-OH 3.25Å; C6-Y87 WeakPolarHBondContact CA-OH 3.05Å; C6-Y87 HydrophobicContact CB-CD1 4.2Å; C6-Y87 HydrophobicContact CB-CE1 3.37Å; C6-Y87 HydrophobicContact CB-CE2 3.94Å; C6-Y87 WeakPolarHBondContact CB-OH 3.07Å; C6-Y87 VanDerWaalsContact O-CD2 3.22Å; C6-Y87 WeakPolarHBondContact O-CD2 3.36Å; C6-Y87 WeakPolarHBondContact O-CE2 3.47Å; C6-Y87 PolarHBondContact SG-OH 3.46Å |
| 7 | A | 41.9 | Very low | 45.2 | Very low | 23 Ų | 23 | 43.6 Ų | 43.6 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S3 R4 R9 A10 A11 L73 | S3-A7 PolarHBondContact O-N 3.49Å; R4-A7 PolarHBondContact O-N 3.45Å; A7-R9 VanDerWaalsContact C-N 3.33Å; A7-R9 PolarHBondContact O-N 2.77Å; A7-A10 PolarHBondContact O-N 2.85Å; A7-A11 WeakPolarHBondContact O-CB 3.44Å; A7-A11 PolarHBondContact O-N 2.72Å; A7-L73 HydrophobicContact CB-CD1 3.97Å; A7-L73 HydrophobicContact CB-CD2 4.03Å |
| 8 | V | 43.5 | Very low | 45.3 | Very low | 24 Ų | 24 | 42.7 Ų | 42.7 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 176.6 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | R4 C6 A11 F12 L66 A69 L73 | R4-V8 WeakPolarHBondContact O-CG2 3.3Å; R4-V8 PolarHBondContact O-N 2.93Å; C6-V8 PolarHBondContact O-N 3.46Å; V8-A11 PolarHBondContact O-N 3.44Å; V8-F12 WeakPolarHBondContact O-CB 3.42Å; V8-F12 PolarHBondContact O-N 3.37Å; V8-L66 HydrophobicContact CG1-CD2 3.29Å; V8-A69 HydrophobicContact CB-CB 4.29Å; V8-A69 HydrophobicContact CG1-CB 3.72Å; V8-A69 WeakPolarHBondContact O-CB 3.44Å; V8-L73 HydrophobicContact CG2-CD1 4.46Å |
| 9 | R | 51 | Low | 45 | Very low | 43 Ų | 43 | 44.5 Ų | 44.5 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 178.1 | -75.7 | 170 | -167.7 | -125.4 | -0.2 | 112.6 | D5 C6 A7 L13 Y87 I94 L98 | D5-R9 WeakPolarHBondContact O-CB 3.49Å; D5-R9 VanDerWaalsContact O-CD 3.23Å; D5-R9 WeakPolarHBondContact O-CD 3.5Å; D5-R9 WeakPolarHBondContact O-CG 3.35Å; D5-R9 PolarHBondContact O-N 3.16Å; C6-R9 PolarHBondContact O-N 3.25Å; A7-R9 VanDerWaalsContact C-N 3.33Å; A7-R9 PolarHBondContact O-N 2.77Å; R9-L13 PolarHBondContact O-N 2.95Å; R9-Y87 HydrophobicContact CB-CE2 3.94Å; R9-I94 HydrophobicContact CB-CD1 4Å; R9-I94 HydrophobicContact CB-CG2 3.91Å; R9-I94 HydrophobicContact CG-CG2 3.71Å; R9-L98 HydrophobicContact CG-CD1 4.33Å; R9-L98 VanDerWaalsContact NH1-CD1 3.25Å |
| 10 | A | 49.4 | Very low | 44.9 | Very low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C6 A7 L13 F14 I83 Y87 | C6-A10 PolarHBondContact O-N 3.22Å; A7-A10 PolarHBondContact O-N 2.85Å; A10-L13 PolarHBondContact O-N 3.33Å; A10-F14 WeakPolarHBondContact O-CB 3.49Å; A10-F14 PolarHBondContact O-N 3Å; A10-I83 HydrophobicContact CB-CG2 3.24Å; A10-Y87 HydrophobicContact CB-CD2 3.54Å; A10-Y87 HydrophobicContact CB-CG 3.83Å |
| 11 | A | 47.5 | Very low | 44.8 | Very low | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A7 V8 L13 F14 V15 A69 V72 L73 | A7-A11 WeakPolarHBondContact O-CB 3.44Å; A7-A11 PolarHBondContact O-N 2.72Å; V8-A11 PolarHBondContact O-N 3.44Å; A11-L13 PolarHBondContact O-N 3.45Å; A11-F14 CarbonylContact O-C 3.41Å; A11-F14 WeakPolarHBondContact O-CB 3.28Å; A11-F14 PolarHBondContact O-N 3.23Å; A11-F14 VanDerWaalsContact O-N 3.09Å; A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.14Å; A11-A69 HydrophobicContact CB-CB 4Å; A11-A69 WeakPolarHBondContact CB-O 3.29Å; A11-V72 HydrophobicContact CB-CB 4.34Å; A11-V72 HydrophobicContact CB-CG1 3.9Å; A11-L73 HydrophobicContact CB-CB 4.48Å; A11-L73 HydrophobicContact CB-CD1 4.39Å; A11-L73 HydrophobicContact CB-CD2 3.68Å; A11-L73 HydrophobicContact CB-CG 3.49Å; A11-L73 VanDerWaalsContact CB-CG 3.49Å |
| 12 | F | 50.4 | Low | 44.9 | Very low | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.5 | -47.6 | 174 | -176.2 | -102.2 | 0 | 0 | 0 | 112.9 | V8 F14 V15 Q16 L56 Y59 I65 T68 A69 | V8-F12 WeakPolarHBondContact O-CB 3.42Å; V8-F12 PolarHBondContact O-N 3.37Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 2.91Å; F12-V15 PolarHBondContact O-N 3.2Å; F12-Q16 PolarHBondContact O-N 2.95Å; F12-L56 HydrophobicContact CD1-CD2 4.44Å; F12-L56 HydrophobicContact CE1-CD2 3.63Å; F12-Y59 HydrophobicContact CE2-CD1 4.1Å; F12-Y59 HydrophobicContact CE2-CD2 4.34Å; F12-Y59 AromaticContact CE2-CE1 3.97Å; F12-Y59 HydrophobicContact CE2-CE1 3.97Å; F12-Y59 HydrophobicContact CE2-CE2 4.29Å; F12-Y59 HydrophobicContact CE2-CG 4.26Å; F12-Y59 HydrophobicContact CZ-CD1 4.3Å; F12-Y59 AromaticContact CZ-CD2 3.77Å; F12-Y59 HydrophobicContact CZ-CD2 3.77Å; F12-Y59 HydrophobicContact CZ-CE1 4.35Å; F12-Y59 AromaticContact CZ-CE2 3.91Å; F12-Y59 HydrophobicContact CZ-CE2 3.91Å; F12-Y59 AromaticContact CZ-CG 3.99Å; F12-Y59 HydrophobicContact CZ-CG 3.99Å; F12-I65 HydrophobicContact CB-CG2 4.28Å; F12-I65 HydrophobicContact CD1-CG2 4.23Å; F12-I65 HydrophobicContact CD2-CB 3.9Å; F12-I65 HydrophobicContact CD2-CG1 4.3Å; F12-I65 HydrophobicContact CD2-CG2 3.31Å; F12-I65 HydrophobicContact CE1-CG2 4.41Å; F12-I65 HydrophobicContact CE2-CB 3.73Å; F12-I65 HydrophobicContact CE2-CG1 3.62Å; F12-I65 HydrophobicContact CE2-CG2 3.53Å; F12-I65 HydrophobicContact CG-CG2 3.67Å; F12-I65 HydrophobicContact CZ-CB 4.4Å; F12-I65 HydrophobicContact CZ-CD1 4.4Å; F12-I65 HydrophobicContact CZ-CG1 3.93Å; F12-I65 HydrophobicContact CZ-CG2 4.05Å; F12-T68 HydrophobicContact CD2-CG2 4.5Å; F12-A69 HydrophobicContact CB-CB 4.24Å |
| 13 | L | 51.8 | Low | 44.9 | Very low | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.5 | -67.4 | -176 | 0 | 0 | 0 | 112.2 | R9 A10 A11 Q16 V17 F52 F86 I94 | R9-L13 PolarHBondContact O-N 2.95Å; A10-L13 PolarHBondContact O-N 3.33Å; A11-L13 PolarHBondContact O-N 3.45Å; L13-Q16 PolarHBondContact O-N 3.29Å; L13-V17 WeakPolarHBondContact O-CB 3.43Å; L13-V17 VanDerWaalsContact O-CG2 3.32Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.46Å; L13-V17 VanDerWaalsContact O-N 3.14Å; L13-F52 HydrophobicContact CD2-CE1 4.27Å; L13-F52 HydrophobicContact CD2-CE2 3.46Å; L13-F52 VanDerWaalsContact CD2-CE2 3.46Å; L13-F52 HydrophobicContact CD2-CZ 3.13Å; L13-F86 HydrophobicContact CB-CE1 3.85Å; L13-F86 HydrophobicContact CD1-CD1 4.48Å; L13-F86 HydrophobicContact CD1-CE1 3.76Å; L13-F86 HydrophobicContact CG-CE1 4.48Å; L13-I94 HydrophobicContact CD1-CD1 3.28Å; L13-I94 HydrophobicContact CD1-CG1 3.68Å; L13-I94 HydrophobicContact CD2-CG1 4.24Å; L13-I94 HydrophobicContact CG-CD1 3.84Å; L13-I94 HydrophobicContact CG-CG1 4.11Å |
| 14 | F | 53.7 | Low | 44.9 | Very low | 25 Ų | 25 | 49.1 Ų | 49.1 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | 178.6 | -171 | -98.5 | 0 | 0 | 0 | 111.6 | A10 A11 F12 Q16 V17 L18 V72 | A10-F14 WeakPolarHBondContact O-CB 3.49Å; A10-F14 PolarHBondContact O-N 3Å; A11-F14 CarbonylContact O-C 3.41Å; A11-F14 WeakPolarHBondContact O-CB 3.28Å; A11-F14 PolarHBondContact O-N 3.23Å; A11-F14 VanDerWaalsContact O-N 3.09Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 2.91Å; F14-Q16 VanDerWaalsContact C-N 3.31Å; F14-Q16 PolarHBondContact O-N 2.77Å; F14-V17 WeakPolarHBondContact O-CB 3.27Å; F14-V17 PolarHBondContact O-N 3.25Å; F14-L18 HydrophobicContact CD1-CD1 3.53Å; F14-L18 HydrophobicContact CD1-CD2 4.4Å; F14-L18 HydrophobicContact CD1-CG 3.75Å; F14-L18 HydrophobicContact CE1-CD1 3.3Å; F14-L18 HydrophobicContact CE1-CD2 3.93Å; F14-L18 HydrophobicContact CE1-CG 3.69Å; F14-L18 HydrophobicContact CE2-CD2 4.49Å; F14-L18 HydrophobicContact CG-CG 4.44Å; F14-L18 HydrophobicContact CZ-CD1 4.15Å; F14-L18 HydrophobicContact CZ-CD2 3.95Å; F14-L18 HydrophobicContact CZ-CG 4.19Å; F14-L18 WeakPolarHBondContact O-CB 3.33Å; F14-L18 VanDerWaalsContact O-CG 3.26Å; F14-L18 WeakPolarHBondContact O-CG 3.47Å; F14-L18 PolarHBondContact O-N 2.99Å; F14-V72 HydrophobicContact CB-CG1 4.13Å; F14-V72 HydrophobicContact CD1-CG1 3.38Å; F14-V72 HydrophobicContact CE1-CG1 4.18Å; F14-V72 HydrophobicContact CG-CG1 4.2Å |
| 15 | V | 47.1 | Very low | 45.3 | Very low | 24 Ų | 24 | 43.5 Ų | 43.5 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -40 | 178 | -167.3 | 0 | 0 | 0 | 0 | 111.3 | A11 F12 L18 A19 T68 V72 | A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.14Å; F12-V15 PolarHBondContact O-N 3.2Å; V15-L18 PolarHBondContact O-N 3.3Å; V15-A19 WeakPolarHBondContact O-CB 3.39Å; V15-A19 PolarHBondContact O-N 3.26Å; V15-T68 HydrophobicContact CB-CG2 3.5Å; V15-T68 HydrophobicContact CG1-CG2 3.32Å; V15-T68 HydrophobicContact CG2-CG2 3.47Å; V15-T68 VanDerWaalsContact CG2-CG2 3.47Å; V15-T68 VanDerWaalsContact CG2-O 3.29Å; V15-T68 WeakPolarHBondContact CG2-O 3.43Å; V15-V72 HydrophobicContact CB-CB 4.43Å; V15-V72 HydrophobicContact CB-CG2 3.78Å; V15-V72 HydrophobicContact CG1-CG2 3.82Å; V15-V72 HydrophobicContact CG2-CB 3.3Å; V15-V72 HydrophobicContact CG2-CG1 3.81Å; V15-V72 HydrophobicContact CG2-CG2 3.1Å |
| 16 | Q | 48.4 | Very low | 45.5 | Very low | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.6 | -40.4 | -177.9 | -70.8 | -173.3 | -19.4 | 0 | 0 | 111.8 | F12 L13 F14 A19 E20 I55 Y59 | F12-Q16 PolarHBondContact O-N 2.95Å; L13-Q16 PolarHBondContact O-N 3.29Å; F14-Q16 VanDerWaalsContact C-N 3.31Å; F14-Q16 PolarHBondContact O-N 2.77Å; Q16-A19 PolarHBondContact O-N 2.84Å; Q16-E20 PolarHBondContact O-N 3.09Å; Q16-I55 HydrophobicContact CG-CG2 4.15Å; Q16-Y59 VanDerWaalsContact NE2-CZ 3.34Å; Q16-Y59 PolarHBondContact NE2-OH 3.42Å |
| 17 | V | 47.3 | Very low | 45.4 | Very low | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53 | -58.9 | 166.4 | 159.8 | 0 | 0 | 0 | 0 | 109.1 | L13 F14 A19 E20 F21 L43 Y46 | L13-V17 WeakPolarHBondContact O-CB 3.43Å; L13-V17 VanDerWaalsContact O-CG2 3.32Å; L13-V17 WeakPolarHBondContact O-CG2 3.44Å; L13-V17 PolarHBondContact O-N 3.46Å; L13-V17 VanDerWaalsContact O-N 3.14Å; F14-V17 WeakPolarHBondContact O-CB 3.27Å; F14-V17 PolarHBondContact O-N 3.25Å; V17-A19 VanDerWaalsContact C-N 3.31Å; V17-A19 PolarHBondContact O-N 3.15Å; V17-E20 PolarHBondContact O-N 3.46Å; V17-F21 VanDerWaalsContact C-CD2 3.46Å; V17-F21 HydrophobicContact CB-CD2 4.43Å; V17-F21 HydrophobicContact CB-CE2 4.16Å; V17-F21 HydrophobicContact CG1-CD2 3.6Å; V17-F21 HydrophobicContact CG1-CE2 3.55Å; V17-F21 WeakPolarHBondContact O-CD2 3.49Å; V17-F21 WeakPolarHBondContact O-CE2 3.42Å; V17-F21 PolarHBondContact O-N 2.99Å; V17-L43 HydrophobicContact CB-CD2 4Å; V17-L43 HydrophobicContact CG1-CD2 3.1Å; V17-L43 HydrophobicContact CG2-CD2 3.65Å; V17-Y46 HydrophobicContact CG2-CD1 3.89Å; V17-Y46 HydrophobicContact CG2-CE1 4.24Å |
| 18 | L | 45.8 | Very low | 45.4 | Very low | 28 Ų | 28 | 47.6 Ų | 47.6 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -38.1 | -178.9 | -68.9 | -173.2 | 0 | 0 | 0 | 113.9 | F14 V15 F21 I27 V72 | F14-L18 HydrophobicContact CD1-CD1 3.53Å; F14-L18 HydrophobicContact CD1-CD2 4.4Å; F14-L18 HydrophobicContact CD1-CG 3.75Å; F14-L18 HydrophobicContact CE1-CD1 3.3Å; F14-L18 HydrophobicContact CE1-CD2 3.93Å; F14-L18 HydrophobicContact CE1-CG 3.69Å; F14-L18 HydrophobicContact CE2-CD2 4.49Å; F14-L18 HydrophobicContact CG-CG 4.44Å; F14-L18 HydrophobicContact CZ-CD1 4.15Å; F14-L18 HydrophobicContact CZ-CD2 3.95Å; F14-L18 HydrophobicContact CZ-CG 4.19Å; F14-L18 WeakPolarHBondContact O-CB 3.33Å; F14-L18 VanDerWaalsContact O-CG 3.26Å; F14-L18 WeakPolarHBondContact O-CG 3.47Å; F14-L18 PolarHBondContact O-N 2.99Å; V15-L18 PolarHBondContact O-N 3.3Å; L18-F21 CarbonylContact O-C 3.57Å; L18-F21 PolarHBondContact O-N 2.88Å; L18-I27 HydrophobicContact CD2-CB 4.14Å; L18-I27 HydrophobicContact CD2-CD1 3.29Å; L18-I27 HydrophobicContact CD2-CG1 3.73Å; L18-I27 HydrophobicContact CD2-CG2 3.77Å; L18-V72 HydrophobicContact CD1-CG2 4.44Å |
| 19 | A | 40.6 | Very low | 45.4 | Very low | 77 Ų | 77 | 51.8 Ų | 51.8 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -74.4 | -31.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V15 Q16 V17 | V15-A19 WeakPolarHBondContact O-CB 3.39Å; V15-A19 PolarHBondContact O-N 3.26Å; Q16-A19 PolarHBondContact O-N 2.84Å; V17-A19 VanDerWaalsContact C-N 3.31Å; V17-A19 PolarHBondContact O-N 3.15Å |
| 20 | E | 43.3 | Very low | 45 | Very low | 53 Ų | 53 | 51 Ų | 51 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -78.1 | -34.3 | 169 | -79.7 | -163.7 | -174.8 | 0 | 0 | 113.1 | Q16 V17 K22 Y46 E51 I55 | Q16-E20 PolarHBondContact O-N 3.09Å; V17-E20 PolarHBondContact O-N 3.46Å; E20-K22 VanDerWaalsContact C-N 3.28Å; E20-K22 PolarHBondContact O-N 3.12Å; E20-Y46 VanDerWaalsContact CD-CZ 3.41Å; E20-Y46 PolarHBondContact OE1-OH 2.91Å; E20-Y46 WeakPolarHBondContact OE2-CE2 3.46Å; E20-Y46 PolarHBondContact OE2-OH 3.26Å; E20-E51 WeakPolarHBondContact OE1-CG 3.16Å; E20-I55 HydrophobicContact CG-CD1 4.21Å; E20-I55 WeakPolarHBondContact OE1-CD1 3.25Å |
| 21 | F | 41.3 | Very low | 44.5 | Very low | 29 Ų | 29 | 53.6 Ų | 53.6 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | trans | -70.3 | 91.1 | 167.2 | -65 | -59.9 | 0 | 0 | 0 | 109 | V17 L18 H23 I24 I27 Y42 | V17-F21 VanDerWaalsContact C-CD2 3.46Å; V17-F21 HydrophobicContact CB-CD2 4.43Å; V17-F21 HydrophobicContact CB-CE2 4.16Å; V17-F21 HydrophobicContact CG1-CD2 3.6Å; V17-F21 HydrophobicContact CG1-CE2 3.55Å; V17-F21 WeakPolarHBondContact O-CD2 3.49Å; V17-F21 WeakPolarHBondContact O-CE2 3.42Å; V17-F21 PolarHBondContact O-N 2.99Å; L18-F21 CarbonylContact O-C 3.57Å; L18-F21 PolarHBondContact O-N 2.88Å; F21-H23 HydrophobicContact CB-CB 4.37Å; F21-H23 PolarHBondContact O-N 2.95Å; F21-I24 PolarHBondContact O-N 2.93Å; F21-I27 HydrophobicContact CB-CD1 3.79Å; F21-I27 HydrophobicContact CD2-CD1 4.43Å; F21-I27 HydrophobicContact CG-CD1 4.31Å; F21-Y42 HydrophobicContact CE1-CD1 4.17Å; F21-Y42 AromaticContact CE1-CE1 3.4Å; F21-Y42 HydrophobicContact CE1-CE1 3.4Å; F21-Y42 VanDerWaalsContact CE1-CE1 3.4Å; F21-Y42 HydrophobicContact CE1-CE2 4.16Å; F21-Y42 AromaticContact CE1-CZ 3.33Å; F21-Y42 VanDerWaalsContact CE1-OH 3.28Å; F21-Y42 WeakPolarHBondContact CE1-OH 3.49Å; F21-Y42 HydrophobicContact CE2-CD1 4.25Å; F21-Y42 AromaticContact CE2-CE1 3.57Å; F21-Y42 HydrophobicContact CE2-CE1 3.57Å; F21-Y42 AromaticContact CZ-CD1 3.79Å; F21-Y42 HydrophobicContact CZ-CD1 3.79Å; F21-Y42 AromaticContact CZ-CE1 2.85Å; F21-Y42 HydrophobicContact CZ-CE1 2.85Å; F21-Y42 HydrophobicContact CZ-CE2 4.34Å; F21-Y42 AromaticContact CZ-CZ 3.16Å; F21-Y42 WeakPolarHBondContact CZ-OH 3.26Å | ||
| 22 | K | 44.8 | Very low | 44.2 | Very low | 201 Ų | 201 | 56.5 Ų | 56.5 | 87% | 0.874 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -51 | 4.4 | 151.2 | -69.3 | -173.2 | 176.7 | -179.1 | 0 | 113.7 | E20 | E20-K22 VanDerWaalsContact C-N 3.28Å; E20-K22 PolarHBondContact O-N 3.12Å |
| 23 | H | 41.6 | Very low | 43.8 | Very low | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | trans | -107.3 | 44.3 | 173.9 | -57.1 | -65.2 | 0 | 0 | 0 | 112.6 | F21 S25 A26 I27 | F21-H23 HydrophobicContact CB-CB 4.37Å; F21-H23 PolarHBondContact O-N 2.95Å; H23-S25 PolarHBondContact O-N 3.37Å; H23-A26 HydrophobicContact CB-CB 3.72Å; H23-A26 WeakPolarHBondContact O-CA 3.06Å; H23-A26 WeakPolarHBondContact O-CB 3.28Å; H23-A26 PolarHBondContact O-N 3.41Å; H23-I27 PolarHBondContact O-N 3Å; H23-I27 VanDerWaalsContact O-N 3.15Å | ||
| 24 | I | 40.8 | Very low | 43.4 | Very low | 100 Ų | 100 | 71.1 Ų | 71.1 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -45.1 | -36.9 | 164.9 | -68.7 | 173.4 | 0 | 0 | 0 | 110.5 | F21 A26 I27 Q28 | F21-I24 PolarHBondContact O-N 2.93Å; I24-A26 PolarHBondContact O-N 2.98Å; I24-I27 PolarHBondContact O-N 3.28Å; I24-Q28 HydrophobicContact CG2-CG 4.35Å; I24-Q28 WeakPolarHBondContact O-CG 3.35Å; I24-Q28 PolarHBondContact O-N 2.94Å |
| 25 | S | 41.8 | Very low | 43.1 | Very low | 74 Ų | 74 | 73.1 Ų | 73.1 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 173.4 | -48.6 | 0 | 0 | 0 | 0 | 114.1 | H23 Q28 N29 | H23-S25 PolarHBondContact O-N 3.37Å; S25-Q28 PolarHBondContact O-N 2.88Å; S25-N29 VanDerWaalsContact O-CB 3.27Å; S25-N29 WeakPolarHBondContact O-CB 2.99Å; S25-N29 PolarHBondContact O-N 3.14Å; S25-N29 PolarHBondContact O-ND2 3.27Å |
| 26 | A | 41.8 | Very low | 43.2 | Very low | 54 Ų | 54 | 77.4 Ų | 77.4 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71 | -34.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H23 I24 N29 S30 | H23-A26 HydrophobicContact CB-CB 3.72Å; H23-A26 WeakPolarHBondContact O-CA 3.06Å; H23-A26 WeakPolarHBondContact O-CB 3.28Å; H23-A26 PolarHBondContact O-N 3.41Å; I24-A26 PolarHBondContact O-N 2.98Å; A26-N29 PolarHBondContact O-N 3.37Å; A26-S30 WeakPolarHBondContact O-CB 3.44Å; A26-S30 PolarHBondContact O-N 3.49Å; A26-S30 VanDerWaalsContact O-N 3.14Å; A26-S30 PolarHBondContact O-OG 3.44Å |
| 27 | I | 40.7 | Very low | 43.2 | Very low | 14 Ų | 14 | 81.2 Ų | 81.2 | 7% | 0.072 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65 | -50.5 | 171 | -69.2 | 129.1 | 0 | 0 | 0 | 109.7 | L18 F21 H23 I24 N29 S30 I31 Y39 | L18-I27 HydrophobicContact CD2-CB 4.14Å; L18-I27 HydrophobicContact CD2-CD1 3.29Å; L18-I27 HydrophobicContact CD2-CG1 3.73Å; L18-I27 HydrophobicContact CD2-CG2 3.77Å; F21-I27 HydrophobicContact CB-CD1 3.79Å; F21-I27 HydrophobicContact CD2-CD1 4.43Å; F21-I27 HydrophobicContact CG-CD1 4.31Å; H23-I27 PolarHBondContact O-N 3Å; H23-I27 VanDerWaalsContact O-N 3.15Å; I24-I27 PolarHBondContact O-N 3.28Å; I27-N29 VanDerWaalsContact C-N 3.27Å; I27-N29 PolarHBondContact O-N 3.15Å; I27-S30 WeakPolarHBondContact CA-OG 3.43Å; I27-S30 CarbonylContact O-C 3.54Å; I27-S30 PolarHBondContact O-N 3.06Å; I27-S30 PolarHBondContact O-OG 3.05Å; I27-I31 HydrophobicContact CG2-CD1 4.37Å; I27-I31 HydrophobicContact CG2-CG1 4.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.27Å; I27-I31 PolarHBondContact O-N 3.1Å; I27-Y39 HydrophobicContact CG1-CE2 4.22Å |
| 28 | Q | 41.8 | Very low | 43.2 | Very low | 122 Ų | 122 | 84.1 Ų | 84.1 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -55.5 | -41.3 | 175.3 | -73.7 | 176 | -31.6 | 0 | 0 | 112.6 | I24 S25 S30 I31 | I24-Q28 HydrophobicContact CG2-CG 4.35Å; I24-Q28 WeakPolarHBondContact O-CG 3.35Å; I24-Q28 PolarHBondContact O-N 2.94Å; S25-Q28 PolarHBondContact O-N 2.88Å; Q28-S30 PolarHBondContact O-N 2.95Å; Q28-I31 PolarHBondContact O-N 3.04Å |
| 29 | N | 43.2 | Very low | 43.3 | Very low | 111 Ų | 111 | 84.9 Ų | 84.9 | 59% | 0.594 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -10.1 | 177.3 | -74.6 | -33 | 0 | 0 | 0 | 114.7 | S25 A26 I27 K33 | S25-N29 VanDerWaalsContact O-CB 3.27Å; S25-N29 WeakPolarHBondContact O-CB 2.99Å; S25-N29 PolarHBondContact O-N 3.14Å; S25-N29 PolarHBondContact O-ND2 3.27Å; A26-N29 PolarHBondContact O-N 3.37Å; I27-N29 VanDerWaalsContact C-N 3.27Å; I27-N29 PolarHBondContact O-N 3.15Å; N29-K33 WeakPolarHBondContact O-CD 3.22Å; N29-K33 WeakPolarHBondContact O-CE 3.13Å; N29-K33 PolarHBondContact O-NZ 3.21Å |
| 30 | S | 41.1 | Very low | 43.8 | Very low | 26 Ų | 26 | 83.7 Ų | 83.7 | 18% | 0.182 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -10.4 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | A26 I27 Q28 G32 K33 | A26-S30 WeakPolarHBondContact O-CB 3.44Å; A26-S30 PolarHBondContact O-N 3.49Å; A26-S30 VanDerWaalsContact O-N 3.14Å; A26-S30 PolarHBondContact O-OG 3.44Å; I27-S30 WeakPolarHBondContact CA-OG 3.43Å; I27-S30 CarbonylContact O-C 3.54Å; I27-S30 PolarHBondContact O-N 3.06Å; I27-S30 PolarHBondContact O-OG 3.05Å; Q28-S30 PolarHBondContact O-N 2.95Å; S30-G32 PolarHBondContact O-N 2.88Å; S30-K33 WeakPolarHBondContact O-CB 3.05Å; S30-K33 PolarHBondContact O-N 3.37Å; S30-K33 VanDerWaalsContact O-N 3.16Å |
| 31 | I | 40.5 | Very low | 44.1 | Very low | 57 Ų | 57 | 87.1 Ų | 87.1 | 29% | 0.292 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 131.6 | 170.6 | -69.8 | 167.4 | 0 | 0 | 0 | 109.5 | I27 Q28 K33 N79 | I27-I31 HydrophobicContact CG2-CD1 4.37Å; I27-I31 HydrophobicContact CG2-CG1 4.46Å; I27-I31 WeakPolarHBondContact O-CG1 3.27Å; I27-I31 PolarHBondContact O-N 3.1Å; Q28-I31 PolarHBondContact O-N 3.04Å; I31-K33 PolarHBondContact O-N 3.17Å; I31-N79 HydrophobicContact CD1-CB 4.2Å; I31-N79 HydrophobicContact CG2-CB 4.31Å |
| 32 | G | 41.7 | Very low | 44.6 | Very low | 61 Ų | 61 | 90.5 Ų | 90.5 | 63% | 0.629 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -11.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S30 | S30-G32 PolarHBondContact O-N 2.88Š|
| 33 | K | 42 | Very low | 45.1 | Very low | 134 Ų | 134 | 81.5 Ų | 81.5 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -84.9 | 146.1 | 166.9 | -62.8 | 176.6 | -176.5 | 161.6 | 0 | 107.9 | N29 S30 I31 | N29-K33 WeakPolarHBondContact O-CD 3.22Å; N29-K33 WeakPolarHBondContact O-CE 3.13Å; N29-K33 PolarHBondContact O-NZ 3.21Å; S30-K33 WeakPolarHBondContact O-CB 3.05Å; S30-K33 PolarHBondContact O-N 3.37Å; S30-K33 VanDerWaalsContact O-N 3.16Å; I31-K33 PolarHBondContact O-N 3.17Å |
| 34 | Q | 43.3 | Very low | 45.5 | Very low | 179 Ų | 179 | 77 Ų | 77 | 84% | 0.836 | 43% | 0.432 | S | S | * | . | trans | -48.6 | 134.6 | 166.6 | -73 | -173.6 | 7.7 | 0 | 0 | 107.4 | N36 | Q34-N36 PolarHBondContact O-N 3.44Š| ||
| 35 | P | 45.9 | Very low | 46.3 | Very low | 67 Ų | 67 | 75.1 Ų | 75.1 | 44% | 0.435 | 43% | 0.432 | S | S | . | . | trans | -54.2 | 108.2 | -176.6 | 21.7 | -32.3 | 0 | 0 | 0 | 107.6 | S37 V40 L82 | P35-S37 PolarHBondContact O-N 3.21Å; P35-V40 HydrophobicContact CB-CG2 3.63Å; P35-V40 HydrophobicContact CG-CG2 4.35Å; P35-L82 HydrophobicContact CB-CD2 4.12Å; P35-L82 HydrophobicContact CG-CD2 4.37Å | ||
| 36 | N | 48.8 | Very low | 47.1 | Very low | 113 Ų | 113 | 72 Ų | 72 | 60% | 0.604 | 41% | 0.409 | S | S | * | . | trans | -57 | 130.3 | -173.2 | -129.5 | -12.7 | 0 | 0 | 0 | 106.1 | Q34 A38 Y39 V40 | Q34-N36 PolarHBondContact O-N 3.44Å; N36-A38 CarbonylContact O-C 3.3Å; N36-A38 PolarHBondContact O-N 2.96Å; N36-Y39 WeakPolarHBondContact O-CB 3.26Å; N36-Y39 PolarHBondContact O-N 3.25Å; N36-V40 PolarHBondContact O-N 2.76Å | ||
| 37 | S | 49.7 | Very low | 47.9 | Very low | 84 Ų | 84 | 69.9 Ų | 69.9 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -48.3 | -38.4 | -173 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | P35 Y39 V40 M41 | P35-S37 PolarHBondContact O-N 3.21Å; S37-Y39 PolarHBondContact O-N 2.9Å; S37-V40 PolarHBondContact O-N 3.21Å; S37-M41 VanDerWaalsContact O-CB 3.31Å; S37-M41 WeakPolarHBondContact O-CB 3.25Å; S37-M41 WeakPolarHBondContact O-CG 3.39Å; S37-M41 PolarHBondContact O-N 2.84Å |
| 38 | A | 45.9 | Very low | 48.9 | Very low | 63 Ų | 63 | 74.7 Ų | 74.7 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N36 M41 Y42 | N36-A38 CarbonylContact O-C 3.3Å; N36-A38 PolarHBondContact O-N 2.96Å; A38-M41 PolarHBondContact O-N 3.13Å; A38-Y42 VanDerWaalsContact O-CB 3.28Å; A38-Y42 WeakPolarHBondContact O-CB 3.49Å; A38-Y42 PolarHBondContact O-N 3.09Å |
| 39 | Y | 49.9 | Very low | 49.5 | Very low | 44 Ų | 44 | 70.3 Ų | 70.3 | 17% | 0.173 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 178.9 | -178.7 | -111.7 | 0 | 0 | 0 | 111 | I27 N36 S37 M41 Y42 L43 | I27-Y39 HydrophobicContact CG1-CE2 4.22Å; N36-Y39 WeakPolarHBondContact O-CB 3.26Å; N36-Y39 PolarHBondContact O-N 3.25Å; S37-Y39 PolarHBondContact O-N 2.9Å; Y39-M41 VanDerWaalsContact C-N 3.33Å; Y39-M41 PolarHBondContact O-N 3.39Å; Y39-Y42 WeakPolarHBondContact O-CB 3.39Å; Y39-Y42 PolarHBondContact O-N 3.27Å; Y39-L43 HydrophobicContact CD1-CD1 3.99Å; Y39-L43 HydrophobicContact CD1-CG 4.39Å; Y39-L43 HydrophobicContact CE1-CD1 3.54Å; Y39-L43 HydrophobicContact CE1-CD2 4.46Å; Y39-L43 HydrophobicContact CE1-CG 4.11Å; Y39-L43 HydrophobicContact CE2-CD2 4.22Å; Y39-L43 HydrophobicContact CE2-CG 4.39Å; Y39-L43 VanDerWaalsContact O-CG 3.3Å; Y39-L43 WeakPolarHBondContact O-CG 3.49Å; Y39-L43 PolarHBondContact O-N 3.48Å |
| 40 | V | 50.1 | Low | 50.6 | Low | 52 Ų | 52 | 75 Ų | 75 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | P35 N36 S37 Y42 L43 N44 | P35-V40 HydrophobicContact CB-CG2 3.63Å; P35-V40 HydrophobicContact CG-CG2 4.35Å; N36-V40 PolarHBondContact O-N 2.76Å; S37-V40 PolarHBondContact O-N 3.21Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; V40-L43 PolarHBondContact O-N 3.44Å; V40-N44 WeakPolarHBondContact O-CB 3.44Å; V40-N44 PolarHBondContact O-N 2.84Å; V40-N44 PolarHBondContact O-ND2 2.75Å; V40-N44 PolarHBondContact O-OD1 2.95Å |
| 41 | M | 50 | Low | 51.2 | Low | 124 Ų | 124 | 79 Ų | 79 | 61% | 0.611 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.7 | -46.2 | 174.2 | -74.9 | 169.5 | 66.6 | 0 | 0 | 111.6 | S37 A38 Y39 N44 A45 | S37-M41 VanDerWaalsContact O-CB 3.31Å; S37-M41 WeakPolarHBondContact O-CB 3.25Å; S37-M41 WeakPolarHBondContact O-CG 3.39Å; S37-M41 PolarHBondContact O-N 2.84Å; A38-M41 PolarHBondContact O-N 3.13Å; Y39-M41 VanDerWaalsContact C-N 3.33Å; Y39-M41 PolarHBondContact O-N 3.39Å; M41-N44 WeakPolarHBondContact O-CB 3.49Å; M41-N44 PolarHBondContact O-N 3.33Å; M41-A45 PolarHBondContact O-N 3Å |
| 42 | Y | 50.9 | Low | 52.1 | Low | 100 Ų | 100 | 76.7 Ų | 76.7 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 176.5 | 178.9 | -77.6 | 0 | 0 | 0 | 111.2 | F21 A38 Y39 V40 N44 A45 Y46 | F21-Y42 HydrophobicContact CE1-CD1 4.17Å; F21-Y42 AromaticContact CE1-CE1 3.4Å; F21-Y42 HydrophobicContact CE1-CE1 3.4Å; F21-Y42 VanDerWaalsContact CE1-CE1 3.4Å; F21-Y42 HydrophobicContact CE1-CE2 4.16Å; F21-Y42 AromaticContact CE1-CZ 3.33Å; F21-Y42 VanDerWaalsContact CE1-OH 3.28Å; F21-Y42 WeakPolarHBondContact CE1-OH 3.49Å; F21-Y42 HydrophobicContact CE2-CD1 4.25Å; F21-Y42 AromaticContact CE2-CE1 3.57Å; F21-Y42 HydrophobicContact CE2-CE1 3.57Å; F21-Y42 AromaticContact CZ-CD1 3.79Å; F21-Y42 HydrophobicContact CZ-CD1 3.79Å; F21-Y42 AromaticContact CZ-CE1 2.85Å; F21-Y42 HydrophobicContact CZ-CE1 2.85Å; F21-Y42 HydrophobicContact CZ-CE2 4.34Å; F21-Y42 AromaticContact CZ-CZ 3.16Å; F21-Y42 WeakPolarHBondContact CZ-OH 3.26Å; A38-Y42 VanDerWaalsContact O-CB 3.28Å; A38-Y42 WeakPolarHBondContact O-CB 3.49Å; A38-Y42 PolarHBondContact O-N 3.09Å; Y39-Y42 WeakPolarHBondContact O-CB 3.39Å; Y39-Y42 PolarHBondContact O-N 3.27Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; Y42-N44 PolarHBondContact O-N 2.97Å; Y42-A45 PolarHBondContact O-N 3.31Å; Y42-A45 VanDerWaalsContact O-N 3.14Å; Y42-Y46 HydrophobicContact CE1-CG 4.46Å; Y42-Y46 WeakPolarHBondContact O-CB 3.45Å; Y42-Y46 PolarHBondContact O-N 3.45Å |
| 43 | L | 55.2 | Low | 53 | Low | 12 Ų | 12 | 80 Ų | 80 | 6% | 0.063 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 177.9 | -66 | -178.7 | 0 | 0 | 0 | 111.8 | V17 Y39 V40 Y46 V47 F86 | V17-L43 HydrophobicContact CB-CD2 4Å; V17-L43 HydrophobicContact CG1-CD2 3.1Å; V17-L43 HydrophobicContact CG2-CD2 3.65Å; Y39-L43 HydrophobicContact CD1-CD1 3.99Å; Y39-L43 HydrophobicContact CD1-CG 4.39Å; Y39-L43 HydrophobicContact CE1-CD1 3.54Å; Y39-L43 HydrophobicContact CE1-CD2 4.46Å; Y39-L43 HydrophobicContact CE1-CG 4.11Å; Y39-L43 HydrophobicContact CE2-CD2 4.22Å; Y39-L43 HydrophobicContact CE2-CG 4.39Å; Y39-L43 VanDerWaalsContact O-CG 3.3Å; Y39-L43 WeakPolarHBondContact O-CG 3.49Å; Y39-L43 PolarHBondContact O-N 3.48Å; V40-L43 PolarHBondContact O-N 3.44Å; L43-Y46 PolarHBondContact O-N 3.25Å; L43-V47 WeakPolarHBondContact O-CG2 3.13Å; L43-V47 PolarHBondContact O-N 3.42Å; L43-F86 HydrophobicContact CB-CD2 4.34Å; L43-F86 HydrophobicContact CB-CE2 3.61Å; L43-F86 HydrophobicContact CB-CZ 4.28Å; L43-F86 HydrophobicContact CD1-CD2 4.15Å; L43-F86 HydrophobicContact CD1-CE2 4.09Å; L43-F86 HydrophobicContact CG-CE2 4.44Å |
| 44 | N | 51 | Low | 53.5 | Low | 25 Ų | 25 | 81.3 Ų | 81.3 | 13% | 0.134 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 178.3 | -61.7 | -35.6 | 0 | 0 | 0 | 111.7 | V40 M41 Y42 Y46 K89 Y90 | V40-N44 WeakPolarHBondContact O-CB 3.44Å; V40-N44 PolarHBondContact O-N 2.84Å; V40-N44 PolarHBondContact O-ND2 2.75Å; V40-N44 PolarHBondContact O-OD1 2.95Å; M41-N44 WeakPolarHBondContact O-CB 3.49Å; M41-N44 PolarHBondContact O-N 3.33Å; Y42-N44 PolarHBondContact O-N 2.97Å; N44-Y46 VanDerWaalsContact C-N 3.33Å; N44-K89 PolarHBondContact ND2-NZ 3Å; N44-K89 PolarHBondContact OD1-NZ 3.48Å; N44-Y90 WeakPolarHBondContact CA-OH 3.29Å; N44-Y90 WeakPolarHBondContact CB-OH 3.28Å; N44-Y90 WeakPolarHBondContact OD1-CE2 3.32Å; N44-Y90 PolarHBondContact OD1-OH 3.06Å |
| 45 | A | 56.1 | Low | 53.9 | Low | 62 Ų | 62 | 74.3 Ų | 74.3 | 51% | 0.512 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | M41 Y42 E48 S49 | M41-A45 PolarHBondContact O-N 3Å; Y42-A45 PolarHBondContact O-N 3.31Å; Y42-A45 VanDerWaalsContact O-N 3.14Å; A45-E48 PolarHBondContact O-N 2.9Å; A45-S49 PolarHBondContact O-N 3.39Å |
| 46 | Y | 59.5 | Low | 54.3 | Low | 8 Ų | 8 | 71.7 Ų | 71.7 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | -178.6 | -179.3 | -104.6 | 0 | 0 | 0 | 112.8 | V17 E20 Y42 L43 N44 E48 S49 E51 F52 | V17-Y46 HydrophobicContact CG2-CD1 3.89Å; V17-Y46 HydrophobicContact CG2-CE1 4.24Å; E20-Y46 VanDerWaalsContact CD-CZ 3.41Å; E20-Y46 PolarHBondContact OE1-OH 2.91Å; E20-Y46 WeakPolarHBondContact OE2-CE2 3.46Å; E20-Y46 PolarHBondContact OE2-OH 3.26Å; Y42-Y46 HydrophobicContact CE1-CG 4.46Å; Y42-Y46 WeakPolarHBondContact O-CB 3.45Å; Y42-Y46 PolarHBondContact O-N 3.45Å; L43-Y46 PolarHBondContact O-N 3.25Å; N44-Y46 VanDerWaalsContact C-N 3.33Å; Y46-E48 PolarHBondContact O-N 3.09Å; Y46-S49 WeakPolarHBondContact O-CB 3.5Å; Y46-S49 PolarHBondContact O-N 3Å; Y46-S49 PolarHBondContact O-OG 3.23Å; Y46-E51 HydrophobicContact CE2-CB 4.47Å; Y46-E51 HydrophobicContact CE2-CG 4.22Å; Y46-F52 HydrophobicContact CD1-CB 4.43Å; Y46-F52 HydrophobicContact CD1-CD2 4.25Å; Y46-F52 HydrophobicContact CE1-CB 4Å; Y46-F52 AromaticContact CE1-CD2 3.66Å; Y46-F52 HydrophobicContact CE1-CD2 3.66Å; Y46-F52 HydrophobicContact CE1-CG 4.23Å; Y46-F52 HydrophobicContact CE2-CB 4.46Å; Y46-F52 WeakPolarHBondContact O-CB 3.41Å |
| 47 | V | 57.7 | Low | 54.7 | Low | 9 Ų | 9 | 69 Ų | 69 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -24.7 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | L43 F52 F86 Y90 | L43-V47 WeakPolarHBondContact O-CG2 3.13Å; L43-V47 PolarHBondContact O-N 3.42Å; V47-F52 HydrophobicContact CB-CD1 4.44Å; V47-F52 HydrophobicContact CG1-CD1 4.09Å; V47-F52 HydrophobicContact CG1-CE1 3.82Å; V47-F52 HydrophobicContact CG1-CZ 4.4Å; V47-F52 WeakPolarHBondContact O-CD1 2.79Å; V47-F86 HydrophobicContact CG2-CZ 3.75Å; V47-Y90 HydrophobicContact CB-CD1 3.91Å; V47-Y90 HydrophobicContact CB-CE1 3.81Å; V47-Y90 HydrophobicContact CG1-CD1 3.37Å; V47-Y90 HydrophobicContact CG1-CE1 3.72Å; V47-Y90 HydrophobicContact CG1-CG 4.13Å; V47-Y90 HydrophobicContact CG2-CD1 4.21Å; V47-Y90 HydrophobicContact CG2-CE1 4.32Å; V47-Y90 HydrophobicContact CG2-CG 4.39Å |
| 48 | E | 62.2 | Low | 55 | Low | 115 Ų | 115 | 68.2 Ų | 68.2 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -84.9 | -13 | 176.1 | -66 | -179.8 | -177.6 | 0 | 0 | 113 | A45 Y46 R53 | A45-E48 PolarHBondContact O-N 2.9Å; Y46-E48 PolarHBondContact O-N 3.09Å; E48-R53 PolarHBondContact O-NH1 3.44Å |
| 49 | S | 55.8 | Low | 55.4 | Low | 31 Ų | 31 | 68 Ų | 68 | 22% | 0.217 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -66.1 | 158.5 | -178.9 | 79.1 | 0 | 0 | 0 | 0 | 113.3 | A45 Y46 E51 F52 R53 | A45-S49 PolarHBondContact O-N 3.39Å; Y46-S49 WeakPolarHBondContact O-CB 3.5Å; Y46-S49 PolarHBondContact O-N 3Å; Y46-S49 PolarHBondContact O-OG 3.23Å; S49-E51 VanDerWaalsContact C-N 3.33Å; S49-F52 WeakPolarHBondContact OG-CB 3.17Å; S49-F52 PolarHBondContact OG-N 3.28Å; S49-R53 PolarHBondContact O-NH1 3.26Å |
| 50 | R | 65.5 | Low | 55.7 | Low | 210 Ų | 210 | 75.3 Ų | 75.3 | 79% | 0.792 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.3 | -34.4 | 171 | -70.6 | 178.3 | -178.1 | -171.7 | 0.6 | 111.6 | R53 F54 | R50-R53 VanDerWaalsContact CG-NH2 3.33Å; R50-R53 PolarHBondContact O-N 3.46Å; R50-R53 VanDerWaalsContact O-N 3.17Å; R50-F54 PolarHBondContact O-N 3.01Å |
| 51 | E | 54.1 | Low | 56.1 | Low | 108 Ų | 108 | 80.7 Ų | 80.7 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | 179.3 | -179.2 | 167.6 | -148.4 | 0 | 0 | 111.1 | E20 Y46 S49 R53 F54 I55 | E20-E51 WeakPolarHBondContact OE1-CG 3.16Å; Y46-E51 HydrophobicContact CE2-CB 4.47Å; Y46-E51 HydrophobicContact CE2-CG 4.22Å; S49-E51 VanDerWaalsContact C-N 3.33Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-R53 PolarHBondContact O-N 2.84Å; E51-F54 WeakPolarHBondContact O-CB 2.78Å; E51-F54 PolarHBondContact O-N 3.15Å; E51-F54 VanDerWaalsContact O-N 3.11Å; E51-I55 WeakPolarHBondContact O-CG1 3.2Å; E51-I55 PolarHBondContact O-N 3.46Å |
| 52 | F | 58.4 | Low | 56.4 | Low | 9 Ų | 9 | 83.1 Ų | 83.1 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.4 | -42 | 173.8 | 176.6 | -103.6 | 0 | 0 | 0 | 113 | L13 Y46 V47 S49 I55 L56 | L13-F52 HydrophobicContact CD2-CE1 4.27Å; L13-F52 HydrophobicContact CD2-CE2 3.46Å; L13-F52 VanDerWaalsContact CD2-CE2 3.46Å; L13-F52 HydrophobicContact CD2-CZ 3.13Å; Y46-F52 HydrophobicContact CD1-CB 4.43Å; Y46-F52 HydrophobicContact CD1-CD2 4.25Å; Y46-F52 HydrophobicContact CE1-CB 4Å; Y46-F52 AromaticContact CE1-CD2 3.66Å; Y46-F52 HydrophobicContact CE1-CD2 3.66Å; Y46-F52 HydrophobicContact CE1-CG 4.23Å; Y46-F52 HydrophobicContact CE2-CB 4.46Å; Y46-F52 WeakPolarHBondContact O-CB 3.41Å; V47-F52 HydrophobicContact CB-CD1 4.44Å; V47-F52 HydrophobicContact CG1-CD1 4.09Å; V47-F52 HydrophobicContact CG1-CE1 3.82Å; V47-F52 HydrophobicContact CG1-CZ 4.4Å; V47-F52 WeakPolarHBondContact O-CD1 2.79Å; S49-F52 WeakPolarHBondContact OG-CB 3.17Å; S49-F52 PolarHBondContact OG-N 3.28Å; F52-I55 PolarHBondContact O-N 3.09Å; F52-L56 HydrophobicContact CD1-CD1 3.91Å; F52-L56 HydrophobicContact CD1-CG 4.48Å; F52-L56 HydrophobicContact CE1-CD1 3.19Å; F52-L56 HydrophobicContact CE1-CG 3.9Å; F52-L56 HydrophobicContact CE2-CD1 4.35Å; F52-L56 HydrophobicContact CE2-CG 4.17Å; F52-L56 HydrophobicContact CZ-CD1 3.42Å; F52-L56 VanDerWaalsContact CZ-CD1 3.42Å; F52-L56 HydrophobicContact CZ-CD2 4Å; F52-L56 HydrophobicContact CZ-CG 3.67Å; F52-L56 WeakPolarHBondContact O-CB 3.34Å; F52-L56 WeakPolarHBondContact O-CG 3.13Å; F52-L56 PolarHBondContact O-N 3.44Å |
| 53 | R | 60.4 | Low | 56.7 | Low | 131 Ų | 131 | 80.7 Ų | 80.7 | 49% | 0.494 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 176.4 | -71.5 | -169.6 | -70.6 | -82.5 | 7.7 | 112.9 | E48 S49 R50 E51 L56 G57 | E48-R53 PolarHBondContact O-NH1 3.44Å; S49-R53 PolarHBondContact O-NH1 3.26Å; R50-R53 VanDerWaalsContact CG-NH2 3.33Å; R50-R53 PolarHBondContact O-N 3.46Å; R50-R53 VanDerWaalsContact O-N 3.17Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-R53 PolarHBondContact O-N 2.84Å; R53-L56 PolarHBondContact O-N 2.97Å; R53-G57 PolarHBondContact O-N 3.45Å |
| 54 | F | 53.6 | Low | 56.6 | Low | 161 Ų | 161 | 83.4 Ų | 83.4 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.5 | -46.3 | 176.5 | 175.6 | -95.7 | 0 | 0 | 0 | 110.8 | R50 E51 L56 G57 S58 | R50-F54 PolarHBondContact O-N 3.01Å; E51-F54 WeakPolarHBondContact O-CB 2.78Å; E51-F54 PolarHBondContact O-N 3.15Å; E51-F54 VanDerWaalsContact O-N 3.11Å; F54-L56 PolarHBondContact O-N 3.45Å; F54-G57 PolarHBondContact O-N 3.42Å; F54-G57 VanDerWaalsContact O-N 3.15Å; F54-S58 PolarHBondContact O-N 3.43Å; F54-S58 VanDerWaalsContact O-N 3.15Å |
| 55 | I | 52.4 | Low | 56.6 | Low | 33 Ų | 33 | 83.1 Ų | 83.1 | 17% | 0.169 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.3 | -71.5 | -177.4 | 0 | 0 | 0 | 110.9 | Q16 E20 E51 F52 G57 S58 Y59 | Q16-I55 HydrophobicContact CG-CG2 4.15Å; E20-I55 HydrophobicContact CG-CD1 4.21Å; E20-I55 WeakPolarHBondContact OE1-CD1 3.25Å; E51-I55 WeakPolarHBondContact O-CG1 3.2Å; E51-I55 PolarHBondContact O-N 3.46Å; F52-I55 PolarHBondContact O-N 3.09Å; I55-G57 VanDerWaalsContact C-N 3.28Å; I55-G57 PolarHBondContact O-N 3.04Å; I55-S58 PolarHBondContact O-N 3.18Å; I55-S58 PolarHBondContact O-OG 3.14Å; I55-Y59 HydrophobicContact CG2-CE2 3.86Å; I55-Y59 WeakPolarHBondContact O-CD2 3.47Å; I55-Y59 WeakPolarHBondContact O-CE2 3.23Å |
| 56 | L | 52.8 | Low | 56.4 | Low | 12 Ų | 12 | 83.6 Ų | 83.6 | 6% | 0.063 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -53.1 | -49.3 | 172.6 | -81.8 | 175.6 | 0 | 0 | 0 | 111.1 | F12 F52 R53 F54 S58 Y59 W97 | F12-L56 HydrophobicContact CD1-CD2 4.44Å; F12-L56 HydrophobicContact CE1-CD2 3.63Å; F52-L56 HydrophobicContact CD1-CD1 3.91Å; F52-L56 HydrophobicContact CD1-CG 4.48Å; F52-L56 HydrophobicContact CE1-CD1 3.19Å; F52-L56 HydrophobicContact CE1-CG 3.9Å; F52-L56 HydrophobicContact CE2-CD1 4.35Å; F52-L56 HydrophobicContact CE2-CG 4.17Å; F52-L56 HydrophobicContact CZ-CD1 3.42Å; F52-L56 VanDerWaalsContact CZ-CD1 3.42Å; F52-L56 HydrophobicContact CZ-CD2 4Å; F52-L56 HydrophobicContact CZ-CG 3.67Å; F52-L56 WeakPolarHBondContact O-CB 3.34Å; F52-L56 WeakPolarHBondContact O-CG 3.13Å; F52-L56 PolarHBondContact O-N 3.44Å; R53-L56 PolarHBondContact O-N 2.97Å; F54-L56 PolarHBondContact O-N 3.45Å; L56-S58 PolarHBondContact O-N 3.16Å; L56-S58 VanDerWaalsContact O-N 3.15Å; L56-Y59 PolarHBondContact O-N 3.41Å; L56-W97 HydrophobicContact CB-CD2 4.14Å; L56-W97 HydrophobicContact CB-CG 4.36Å; L56-W97 HydrophobicContact CB-CZ2 4.14Å; L56-W97 HydrophobicContact CD1-CB 4.46Å; L56-W97 HydrophobicContact CD1-CD2 4.26Å; L56-W97 HydrophobicContact CD1-CG 3.99Å; L56-W97 HydrophobicContact CD2-CD2 3.74Å; L56-W97 HydrophobicContact CD2-CE3 3.73Å; L56-W97 HydrophobicContact CD2-CG 4.32Å; L56-W97 HydrophobicContact CD2-CH2 4.25Å; L56-W97 HydrophobicContact CD2-CZ2 4.31Å; L56-W97 HydrophobicContact CD2-CZ3 3.97Å; L56-W97 HydrophobicContact CG-CD2 4.3Å; L56-W97 WeakPolarHBondContact O-CZ2 3.46Å |
| 57 | G | 56.9 | Low | 56.1 | Low | 56 Ų | 56 | 88.2 Ų | 88.2 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.5 | -16.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R53 F54 I55 | R53-G57 PolarHBondContact O-N 3.45Å; F54-G57 PolarHBondContact O-N 3.42Å; F54-G57 VanDerWaalsContact O-N 3.15Å; I55-G57 VanDerWaalsContact C-N 3.28Å; I55-G57 PolarHBondContact O-N 3.04Å |
| 58 | S | 56.9 | Low | 55.9 | Low | 68 Ų | 68 | 89.4 Ų | 89.4 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -81.5 | -20.3 | -177.6 | 79.2 | 0 | 0 | 0 | 0 | 113.8 | F54 I55 L56 K60 | F54-S58 PolarHBondContact O-N 3.43Å; F54-S58 VanDerWaalsContact O-N 3.15Å; I55-S58 PolarHBondContact O-N 3.18Å; I55-S58 PolarHBondContact O-OG 3.14Å; L56-S58 PolarHBondContact O-N 3.16Å; L56-S58 VanDerWaalsContact O-N 3.15Å; S58-K60 PolarHBondContact O-N 3.41Å; S58-K60 VanDerWaalsContact O-N 3.15Å |
| 59 | Y | 54.2 | Low | 55.6 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | trans | -80.7 | 98.5 | 177.6 | -68.4 | -96 | 0 | 0 | 0 | 110.5 | F12 Q16 I55 L56 R61 E64 I65 | F12-Y59 HydrophobicContact CE2-CD1 4.1Å; F12-Y59 HydrophobicContact CE2-CD2 4.34Å; F12-Y59 AromaticContact CE2-CE1 3.97Å; F12-Y59 HydrophobicContact CE2-CE1 3.97Å; F12-Y59 HydrophobicContact CE2-CE2 4.29Å; F12-Y59 HydrophobicContact CE2-CG 4.26Å; F12-Y59 HydrophobicContact CZ-CD1 4.3Å; F12-Y59 AromaticContact CZ-CD2 3.77Å; F12-Y59 HydrophobicContact CZ-CD2 3.77Å; F12-Y59 HydrophobicContact CZ-CE1 4.35Å; F12-Y59 AromaticContact CZ-CE2 3.91Å; F12-Y59 HydrophobicContact CZ-CE2 3.91Å; F12-Y59 AromaticContact CZ-CG 3.99Å; F12-Y59 HydrophobicContact CZ-CG 3.99Å; Q16-Y59 VanDerWaalsContact NE2-CZ 3.34Å; Q16-Y59 PolarHBondContact NE2-OH 3.42Å; I55-Y59 HydrophobicContact CG2-CE2 3.86Å; I55-Y59 WeakPolarHBondContact O-CD2 3.47Å; I55-Y59 WeakPolarHBondContact O-CE2 3.23Å; L56-Y59 PolarHBondContact O-N 3.41Å; Y59-R61 VanDerWaalsContact C-N 3.33Å; Y59-E64 HydrophobicContact CD1-CB 4.2Å; Y59-I65 HydrophobicContact CD1-CG1 3.89Å; Y59-I65 HydrophobicContact CG-CD1 4.5Å; Y59-I65 HydrophobicContact CG-CG1 3.97Å | ||
| 60 | K | 55.5 | Low | 55.4 | Low | 197 Ų | 197 | 87.2 Ų | 87.2 | 86% | 0.857 | 42% | 0.419 | S | S | * | . | trans | -74.4 | -24.4 | 177.9 | -63.4 | -175.9 | -179.8 | -179.2 | 0 | 112.9 | S58 | S58-K60 PolarHBondContact O-N 3.41Å; S58-K60 VanDerWaalsContact O-N 3.15Å | ||
| 61 | R | 59 | Low | 54.9 | Low | 165 Ų | 165 | 81.1 Ų | 81.1 | 62% | 0.623 | 41% | 0.405 | S | S | * | . | trans | -123.4 | 121.4 | -169.5 | -63.6 | -173.4 | -69.4 | -166.9 | -1.8 | 111.9 | Y59 G63 E64 | Y59-R61 VanDerWaalsContact C-N 3.33Å; R61-G63 PolarHBondContact O-N 3.33Å; R61-G63 VanDerWaalsContact O-N 3.08Å; R61-E64 HydrophobicContact CB-CG 4.33Å; R61-E64 IonicContact CZ-OE1 3.18Å; R61-E64 IonicContact NE-OE1 2.86Å; R61-E64 PolarHBondContact NE-OE1 2.83Å; R61-E64 IonicContact NH2-OE1 2.68Å; R61-E64 PolarHBondContact NH2-OE1 2.92Å; R61-E64 PolarHBondContact O-N 3.27Å; R61-E64 VanDerWaalsContact O-N 3.09Å | ||
| 62 | R | 55.7 | Low | 54.8 | Low | 175 Ų | 175 | 76.4 Ų | 76.4 | 66% | 0.66 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -49.7 | -35.3 | 173.4 | -177.1 | 174.7 | 176.7 | 151.5 | -2.7 | 112.9 | E64 I65 L66 | R62-E64 PolarHBondContact O-N 3.44Å; R62-I65 WeakPolarHBondContact O-CB 3.42Å; R62-I65 PolarHBondContact O-N 3.3Å; R62-L66 HydrophobicContact CG-CD1 4.14Å; R62-L66 HydrophobicContact CG-CG 4.24Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.11Å; R62-L66 PolarHBondContact O-N 2.77Å |
| 63 | G | 57.2 | Low | 54.5 | Low | 49 Ų | 49 | 78 Ų | 78 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | R61 L66 N67 | R61-G63 PolarHBondContact O-N 3.33Å; R61-G63 VanDerWaalsContact O-N 3.08Å; G63-L66 PolarHBondContact O-N 2.72Å; G63-N67 WeakPolarHBondContact O-CB 3.44Å; G63-N67 PolarHBondContact O-N 2.65Å |
| 64 | E | 53.5 | Low | 54 | Low | 68 Ų | 68 | 76.4 Ų | 76.4 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 178.5 | -67.7 | 165.8 | -176.7 | 0 | 0 | 110.2 | Y59 R61 R62 L66 N67 T68 | Y59-E64 HydrophobicContact CD1-CB 4.2Å; R61-E64 HydrophobicContact CB-CG 4.33Å; R61-E64 IonicContact CZ-OE1 3.18Å; R61-E64 IonicContact NE-OE1 2.86Å; R61-E64 PolarHBondContact NE-OE1 2.83Å; R61-E64 IonicContact NH2-OE1 2.68Å; R61-E64 PolarHBondContact NH2-OE1 2.92Å; R61-E64 PolarHBondContact O-N 3.27Å; R61-E64 VanDerWaalsContact O-N 3.09Å; R62-E64 PolarHBondContact O-N 3.44Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 3Å; E64-N67 PolarHBondContact O-N 2.97Å; E64-T68 VanDerWaalsContact O-CB 3.28Å; E64-T68 WeakPolarHBondContact O-CB 3.22Å; E64-T68 PolarHBondContact O-N 3.17Å; E64-T68 PolarHBondContact O-OG1 3.3Å |
| 65 | I | 51.8 | Low | 53.9 | Low | 19 Ų | 19 | 71.5 Ų | 71.5 | 10% | 0.097 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 176.3 | -57.9 | 176.6 | 0 | 0 | 0 | 110.8 | F12 Y59 R62 A69 W97 | F12-I65 HydrophobicContact CB-CG2 4.28Å; F12-I65 HydrophobicContact CD1-CG2 4.23Å; F12-I65 HydrophobicContact CD2-CB 3.9Å; F12-I65 HydrophobicContact CD2-CG1 4.3Å; F12-I65 HydrophobicContact CD2-CG2 3.31Å; F12-I65 HydrophobicContact CE1-CG2 4.41Å; F12-I65 HydrophobicContact CE2-CB 3.73Å; F12-I65 HydrophobicContact CE2-CG1 3.62Å; F12-I65 HydrophobicContact CE2-CG2 3.53Å; F12-I65 HydrophobicContact CG-CG2 3.67Å; F12-I65 HydrophobicContact CZ-CB 4.4Å; F12-I65 HydrophobicContact CZ-CD1 4.4Å; F12-I65 HydrophobicContact CZ-CG1 3.93Å; F12-I65 HydrophobicContact CZ-CG2 4.05Å; Y59-I65 HydrophobicContact CD1-CG1 3.89Å; Y59-I65 HydrophobicContact CG-CD1 4.5Å; Y59-I65 HydrophobicContact CG-CG1 3.97Å; R62-I65 WeakPolarHBondContact O-CB 3.42Å; R62-I65 PolarHBondContact O-N 3.3Å; I65-A69 VanDerWaalsContact O-CB 3.22Å; I65-A69 WeakPolarHBondContact O-CB 2.94Å; I65-A69 PolarHBondContact O-N 3.31Å; I65-W97 HydrophobicContact CD1-CH2 3.61Å; I65-W97 HydrophobicContact CD1-CZ3 3.96Å |
| 66 | L | 51.6 | Low | 53.7 | Low | 72 Ų | 72 | 70.7 Ų | 70.7 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | -179.5 | -66.9 | -179.1 | 0 | 0 | 0 | 112 | V8 R62 G63 E64 A69 N70 | V8-L66 HydrophobicContact CG1-CD2 3.29Å; R62-L66 HydrophobicContact CG-CD1 4.14Å; R62-L66 HydrophobicContact CG-CG 4.24Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.11Å; R62-L66 PolarHBondContact O-N 2.77Å; G63-L66 PolarHBondContact O-N 2.72Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 3Å; L66-A69 PolarHBondContact O-N 2.96Å; L66-N70 WeakPolarHBondContact O-CB 3.12Å; L66-N70 PolarHBondContact O-N 3.28Å |
| 67 | N | 53.3 | Low | 53.6 | Low | 105 Ų | 105 | 74.8 Ų | 74.8 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.4 | -46.8 | 179.4 | -170.1 | 40.3 | 0 | 0 | 0 | 111 | G63 E64 A69 N70 V71 | G63-N67 WeakPolarHBondContact O-CB 3.44Å; G63-N67 PolarHBondContact O-N 2.65Å; E64-N67 PolarHBondContact O-N 2.97Å; N67-A69 PolarHBondContact O-N 2.57Å; N67-N70 PolarHBondContact O-N 3.01Å; N67-N70 VanDerWaalsContact O-N 3.11Å; N67-V71 WeakPolarHBondContact O-CG2 3.07Å; N67-V71 PolarHBondContact O-N 3.18Å |
| 68 | T | 53.3 | Low | 53.3 | Low | 34 Ų | 34 | 78.8 Ų | 78.8 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 175.7 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | F12 V15 E64 N70 V71 V72 | F12-T68 HydrophobicContact CD2-CG2 4.5Å; V15-T68 HydrophobicContact CB-CG2 3.5Å; V15-T68 HydrophobicContact CG1-CG2 3.32Å; V15-T68 HydrophobicContact CG2-CG2 3.47Å; V15-T68 VanDerWaalsContact CG2-CG2 3.47Å; V15-T68 VanDerWaalsContact CG2-O 3.29Å; V15-T68 WeakPolarHBondContact CG2-O 3.43Å; E64-T68 VanDerWaalsContact O-CB 3.28Å; E64-T68 WeakPolarHBondContact O-CB 3.22Å; E64-T68 PolarHBondContact O-N 3.17Å; E64-T68 PolarHBondContact O-OG1 3.3Å; T68-N70 VanDerWaalsContact C-N 3.31Å; T68-N70 PolarHBondContact O-N 3.36Å; T68-V71 PolarHBondContact O-N 3.17Å; T68-V72 PolarHBondContact O-N 3.31Å |
| 69 | A | 56.8 | Low | 52.8 | Low | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V8 A11 F12 I65 L66 N67 V72 L73 | V8-A69 HydrophobicContact CB-CB 4.29Å; V8-A69 HydrophobicContact CG1-CB 3.72Å; V8-A69 WeakPolarHBondContact O-CB 3.44Å; A11-A69 HydrophobicContact CB-CB 4Å; A11-A69 WeakPolarHBondContact CB-O 3.29Å; F12-A69 HydrophobicContact CB-CB 4.24Å; I65-A69 VanDerWaalsContact O-CB 3.22Å; I65-A69 WeakPolarHBondContact O-CB 2.94Å; I65-A69 PolarHBondContact O-N 3.31Å; L66-A69 PolarHBondContact O-N 2.96Å; N67-A69 PolarHBondContact O-N 2.57Å; A69-V72 PolarHBondContact O-N 3.07Å; A69-L73 WeakPolarHBondContact O-CG 3.42Å; A69-L73 PolarHBondContact O-N 2.92Å |
| 70 | N | 51 | Low | 52.4 | Low | 101 Ų | 101 | 79 Ų | 79 | 54% | 0.54 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | -176.4 | -163.7 | 51.7 | 0 | 0 | 0 | 112.5 | L66 N67 T68 V72 L73 N74 | L66-N70 WeakPolarHBondContact O-CB 3.12Å; L66-N70 PolarHBondContact O-N 3.28Å; N67-N70 PolarHBondContact O-N 3.01Å; N67-N70 VanDerWaalsContact O-N 3.11Å; T68-N70 VanDerWaalsContact C-N 3.31Å; T68-N70 PolarHBondContact O-N 3.36Å; N70-V72 PolarHBondContact O-N 2.85Å; N70-L73 PolarHBondContact O-N 2.75Å; N70-N74 PolarHBondContact O-N 3.23Å |
| 71 | V | 54.7 | Low | 52.1 | Low | 82 Ų | 82 | 76.9 Ų | 76.9 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.3 | -43.3 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | N67 T68 N74 V75 | N67-V71 WeakPolarHBondContact O-CG2 3.07Å; N67-V71 PolarHBondContact O-N 3.18Å; T68-V71 PolarHBondContact O-N 3.17Å; V71-N74 VanDerWaalsContact O-CB 3.31Å; V71-N74 WeakPolarHBondContact O-CB 3.5Å; V71-N74 PolarHBondContact O-N 3.33Å; V71-V75 WeakPolarHBondContact O-CG2 3.34Å; V71-V75 PolarHBondContact O-N 3.02Å |
| 72 | V | 52.1 | Low | 51.6 | Low | 8 Ų | 8 | 71.7 Ų | 71.7 | 5% | 0.048 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -77.2 | -33.8 | -178.9 | 156.8 | 0 | 0 | 0 | 0 | 113.9 | A11 F14 V15 L18 T68 A69 N70 N74 V75 A76 | A11-V72 HydrophobicContact CB-CB 4.34Å; A11-V72 HydrophobicContact CB-CG1 3.9Å; F14-V72 HydrophobicContact CB-CG1 4.13Å; F14-V72 HydrophobicContact CD1-CG1 3.38Å; F14-V72 HydrophobicContact CE1-CG1 4.18Å; F14-V72 HydrophobicContact CG-CG1 4.2Å; V15-V72 HydrophobicContact CB-CB 4.43Å; V15-V72 HydrophobicContact CB-CG2 3.78Å; V15-V72 HydrophobicContact CG1-CG2 3.82Å; V15-V72 HydrophobicContact CG2-CB 3.3Å; V15-V72 HydrophobicContact CG2-CG1 3.81Å; V15-V72 HydrophobicContact CG2-CG2 3.1Å; L18-V72 HydrophobicContact CD1-CG2 4.44Å; T68-V72 PolarHBondContact O-N 3.31Å; A69-V72 PolarHBondContact O-N 3.07Å; N70-V72 PolarHBondContact O-N 2.85Å; V72-N74 PolarHBondContact O-N 3.24Å; V72-V75 PolarHBondContact O-N 3.34Å; V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.42Å; V72-A76 PolarHBondContact O-N 3.32Å |
| 73 | L | 51.2 | Low | 51.3 | Low | 42 Ų | 42 | 64.2 Ų | 64.2 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 168.1 | -76.1 | 176.5 | 0 | 0 | 0 | 110.4 | A7 V8 A11 A69 N70 S77 I83 | A7-L73 HydrophobicContact CB-CD1 3.97Å; A7-L73 HydrophobicContact CB-CD2 4.03Å; V8-L73 HydrophobicContact CG2-CD1 4.46Å; A11-L73 HydrophobicContact CB-CB 4.48Å; A11-L73 HydrophobicContact CB-CD1 4.39Å; A11-L73 HydrophobicContact CB-CD2 3.68Å; A11-L73 HydrophobicContact CB-CG 3.49Å; A11-L73 VanDerWaalsContact CB-CG 3.49Å; A69-L73 WeakPolarHBondContact O-CG 3.42Å; A69-L73 PolarHBondContact O-N 2.92Å; N70-L73 PolarHBondContact O-N 2.75Å; L73-S77 WeakPolarHBondContact O-CA 3.5Å; L73-S77 WeakPolarHBondContact O-CB 3.31Å; L73-S77 PolarHBondContact O-N 3.4Å; L73-I83 HydrophobicContact CD2-CD1 3.99Å |
| 74 | N | 51.7 | Low | 50.6 | Low | 99 Ų | 99 | 69.7 Ų | 69.7 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 175.8 | -162.4 | 28.5 | 0 | 0 | 0 | 111.2 | N70 V71 V72 S77 Q78 | N70-N74 PolarHBondContact O-N 3.23Å; V71-N74 VanDerWaalsContact O-CB 3.31Å; V71-N74 WeakPolarHBondContact O-CB 3.5Å; V71-N74 PolarHBondContact O-N 3.33Å; V72-N74 PolarHBondContact O-N 3.24Å; N74-S77 PolarHBondContact O-N 3.36Å; N74-Q78 VanDerWaalsContact O-CG 3.25Å; N74-Q78 WeakPolarHBondContact O-CG 3.32Å; N74-Q78 PolarHBondContact O-N 3.26Å |
| 75 | V | 49.8 | Very low | 50.4 | Low | 58 Ų | 58 | 71.2 Ų | 71.2 | 35% | 0.352 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | V71 V72 Q78 N79 | V71-V75 WeakPolarHBondContact O-CG2 3.34Å; V71-V75 PolarHBondContact O-N 3.02Å; V72-V75 PolarHBondContact O-N 3.34Å; V75-Q78 WeakPolarHBondContact O-CB 2.8Å; V75-Q78 PolarHBondContact O-N 3Å; V75-N79 PolarHBondContact O-N 3.38Å; V75-N79 VanDerWaalsContact O-N 3.09Å; V75-N79 PolarHBondContact O-ND2 2.93Å |
| 76 | A | 49.8 | Very low | 50.3 | Low | 15 Ų | 15 | 71.6 Ų | 71.6 | 12% | 0.124 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -74.4 | -30.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V72 Q78 N79 G80 I83 | V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.42Å; V72-A76 PolarHBondContact O-N 3.32Å; A76-Q78 VanDerWaalsContact C-N 3.33Å; A76-N79 CarbonylContact O-C 3.6Å; A76-N79 VanDerWaalsContact O-C 3.3Å; A76-N79 PolarHBondContact O-N 2.78Å; A76-N79 VanDerWaalsContact O-N 3.13Å; A76-G80 PolarHBondContact O-N 3.33Å; A76-I83 HydrophobicContact CB-CD1 3.16Å; A76-I83 HydrophobicContact CB-CG1 3.79Å |
| 77 | S | 50.1 | Low | 50.1 | Low | 99 Ų | 99 | 69.3 Ų | 69.3 | 69% | 0.692 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.9 | -38.7 | 170.5 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | L73 N74 N79 | L73-S77 WeakPolarHBondContact O-CA 3.5Å; L73-S77 WeakPolarHBondContact O-CB 3.31Å; L73-S77 PolarHBondContact O-N 3.4Å; N74-S77 PolarHBondContact O-N 3.36Å; S77-N79 PolarHBondContact O-N 2.75Å |
| 78 | Q | 50.6 | Low | 50.2 | Low | 140 Ų | 140 | 74.8 Ų | 74.8 | 65% | 0.654 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.9 | -29.5 | 170.3 | -71 | 171.5 | 3.9 | 0 | 0 | 112 | N74 V75 A76 | N74-Q78 VanDerWaalsContact O-CG 3.25Å; N74-Q78 WeakPolarHBondContact O-CG 3.32Å; N74-Q78 PolarHBondContact O-N 3.26Å; V75-Q78 WeakPolarHBondContact O-CB 2.8Å; V75-Q78 PolarHBondContact O-N 3Å; A76-Q78 VanDerWaalsContact C-N 3.33Å |
| 79 | N | 47.2 | Very low | 50.5 | Low | 72 Ų | 72 | 78.6 Ų | 78.6 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 9.6 | -176 | -68.4 | -68.8 | 0 | 0 | 0 | 115 | I31 V75 A76 S77 Q81 | I31-N79 HydrophobicContact CD1-CB 4.2Å; I31-N79 HydrophobicContact CG2-CB 4.31Å; V75-N79 PolarHBondContact O-N 3.38Å; V75-N79 VanDerWaalsContact O-N 3.09Å; V75-N79 PolarHBondContact O-ND2 2.93Å; A76-N79 CarbonylContact O-C 3.6Å; A76-N79 VanDerWaalsContact O-C 3.3Å; A76-N79 PolarHBondContact O-N 2.78Å; A76-N79 VanDerWaalsContact O-N 3.13Å; S77-N79 PolarHBondContact O-N 2.75Å; N79-Q81 PolarHBondContact O-N 3.45Å; N79-Q81 VanDerWaalsContact O-N 3.09Å |
| 80 | G | 44.9 | Very low | 50.3 | Low | 60 Ų | 60 | 78.7 Ų | 78.7 | 62% | 0.619 | 41% | 0.413 | S | S | * | . | trans | 75.6 | -27.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | A76 | A76-G80 PolarHBondContact O-N 3.33Š| ||
| 81 | Q | 48.6 | Very low | 50.5 | Low | 151 Ų | 151 | 75.1 Ų | 75.1 | 71% | 0.706 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -143.6 | 3.8 | -155.8 | -69.7 | -170.9 | -9.4 | 0 | 0 | 122.5 | N79 | N79-Q81 PolarHBondContact O-N 3.45Å; N79-Q81 VanDerWaalsContact O-N 3.09Å |
| 82 | L | 49.1 | Very low | 50.8 | Low | 56 Ų | 56 | 77.6 Ų | 77.6 | 29% | 0.293 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -124.5 | -7.6 | -166.5 | -68.7 | 172.5 | 0 | 0 | 0 | 119.5 | P35 | P35-L82 HydrophobicContact CB-CD2 4.12Å; P35-L82 HydrophobicContact CG-CD2 4.37Å |
| 83 | I | 48.8 | Very low | 50.9 | Low | 19 Ų | 19 | 81.9 Ų | 81.9 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -81 | -36.6 | -168.1 | -65.7 | -170.4 | 0 | 0 | 0 | 114 | A10 L73 A76 Y87 | A10-I83 HydrophobicContact CB-CG2 3.24Å; L73-I83 HydrophobicContact CD2-CD1 3.99Å; A76-I83 HydrophobicContact CB-CD1 3.16Å; A76-I83 HydrophobicContact CB-CG1 3.79Å; I83-Y87 PolarHBondContact O-N 2.92Å; I83-Y87 VanDerWaalsContact O-N 3.15Å |
| 84 | F | 43.5 | Very low | 50.9 | Low | 164 Ų | 164 | 80.5 Ų | 80.5 | 72% | 0.719 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.2 | -43.4 | -165.7 | -69.1 | -79.2 | 0 | 0 | 0 | 115.9 | F86 Y87 R88 | F84-F86 VanDerWaalsContact C-N 3.35Å; F84-F86 PolarHBondContact O-N 3.5Å; F84-Y87 PolarHBondContact O-N 3.45Å; F84-R88 PolarHBondContact O-N 3.46Å |
| 85 | P | 49.9 | Very low | 51.2 | Low | 99 Ų | 99 | 81.3 Ų | 81.3 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.9 | -40 | 179.3 | -23.1 | 34.7 | 0 | 0 | 0 | 112.6 | R88 K89 | P85-R88 PolarHBondContact O-N 2.84Å; P85-K89 PolarHBondContact O-N 2.92Å |
| 86 | F | 47.9 | Very low | 51.7 | Low | 27 Ų | 27 | 87.5 Ų | 87.5 | 12% | 0.118 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 178.6 | -175 | -100.8 | 0 | 0 | 0 | 111.7 | L13 L43 V47 F84 R88 K89 Y90 | L13-F86 HydrophobicContact CB-CE1 3.85Å; L13-F86 HydrophobicContact CD1-CD1 4.48Å; L13-F86 HydrophobicContact CD1-CE1 3.76Å; L13-F86 HydrophobicContact CG-CE1 4.48Å; L43-F86 HydrophobicContact CB-CD2 4.34Å; L43-F86 HydrophobicContact CB-CE2 3.61Å; L43-F86 HydrophobicContact CB-CZ 4.28Å; L43-F86 HydrophobicContact CD1-CD2 4.15Å; L43-F86 HydrophobicContact CD1-CE2 4.09Å; L43-F86 HydrophobicContact CG-CE2 4.44Å; V47-F86 HydrophobicContact CG2-CZ 3.75Å; F84-F86 VanDerWaalsContact C-N 3.35Å; F84-F86 PolarHBondContact O-N 3.5Å; F86-R88 VanDerWaalsContact C-N 3.34Å; F86-R88 PolarHBondContact O-N 3.11Å; F86-K89 PolarHBondContact O-N 3.36Å; F86-Y90 HydrophobicContact CD1-CD2 4.24Å; F86-Y90 AromaticContact CD2-CD2 3.66Å; F86-Y90 HydrophobicContact CD2-CD2 3.66Å; F86-Y90 AromaticContact CD2-CE2 3.72Å; F86-Y90 HydrophobicContact CD2-CE2 3.72Å; F86-Y90 AromaticContact CE1-CD2 3.99Å; F86-Y90 HydrophobicContact CE1-CD2 3.99Å; F86-Y90 AromaticContact CE2-CD2 3.35Å; F86-Y90 HydrophobicContact CE2-CD2 3.35Å; F86-Y90 AromaticContact CE2-CE2 3.31Å; F86-Y90 HydrophobicContact CE2-CE2 3.31Å; F86-Y90 HydrophobicContact CE2-CG 4.44Å; F86-Y90 HydrophobicContact CG-CD2 4.1Å; F86-Y90 AromaticContact CZ-CD2 3.55Å; F86-Y90 HydrophobicContact CZ-CD2 3.55Å; F86-Y90 AromaticContact CZ-CE2 3.92Å; F86-Y90 HydrophobicContact CZ-CE2 3.92Å; F86-Y90 HydrophobicContact CZ-CG 4.28Å; F86-Y90 WeakPolarHBondContact O-CD2 3.45Å; F86-Y90 PolarHBondContact O-N 3.03Å; F86-Y90 VanDerWaalsContact O-N 3.15Å |
| 87 | Y | 49 | Very low | 51.7 | Low | 24 Ų | 24 | 90.6 Ų | 90.6 | 9% | 0.094 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -54.5 | -48.7 | 175.6 | 175.6 | -106.6 | 0 | 0 | 0 | 112.7 | C6 R9 A10 I83 F84 K89 Y90 H91 I94 | C6-Y87 VanDerWaalsContact CA-OH 3.25Å; C6-Y87 WeakPolarHBondContact CA-OH 3.05Å; C6-Y87 HydrophobicContact CB-CD1 4.2Å; C6-Y87 HydrophobicContact CB-CE1 3.37Å; C6-Y87 HydrophobicContact CB-CE2 3.94Å; C6-Y87 WeakPolarHBondContact CB-OH 3.07Å; C6-Y87 VanDerWaalsContact O-CD2 3.22Å; C6-Y87 WeakPolarHBondContact O-CD2 3.36Å; C6-Y87 WeakPolarHBondContact O-CE2 3.47Å; C6-Y87 PolarHBondContact SG-OH 3.46Å; R9-Y87 HydrophobicContact CB-CE2 3.94Å; A10-Y87 HydrophobicContact CB-CD2 3.54Å; A10-Y87 HydrophobicContact CB-CG 3.83Å; I83-Y87 PolarHBondContact O-N 2.92Å; I83-Y87 VanDerWaalsContact O-N 3.15Å; F84-Y87 PolarHBondContact O-N 3.45Å; Y87-K89 PolarHBondContact O-N 3.47Å; Y87-Y90 PolarHBondContact O-N 2.93Å; Y87-H91 HydrophobicContact CE2-CB 4.33Å; Y87-H91 AromaticContact CE2-CD2 3.99Å; Y87-H91 AromaticContact CZ-CD2 3.73Å; Y87-H91 AromaticContact CZ-CE1 3.98Å; Y87-H91 AromaticContact CZ-CG 3.77Å; Y87-H91 AromaticContact CZ-ND1 3.98Å; Y87-H91 AromaticContact CZ-NE2 3.96Å; Y87-H91 WeakPolarHBondContact O-CB 2.92Å; Y87-H91 PolarHBondContact O-N 3.11Å; Y87-H91 PolarHBondContact OH-CD2 3.39Å; Y87-H91 PolarHBondContact OH-CE1 2.91Å; Y87-H91 PolarHBondContact OH-ND1 2.92Å; Y87-H91 PolarHBondContact OH-NE2 3.27Å; Y87-I94 HydrophobicContact CE2-CD1 4.5Å |
| 88 | R | 55.4 | Low | 51.3 | Low | 221 Ų | 221 | 89.7 Ų | 89.7 | 83% | 0.834 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.4 | -37.8 | -177.3 | -165.9 | 177.1 | -160.7 | 150.6 | 3.8 | 111.6 | F84 P85 F86 | F84-R88 PolarHBondContact O-N 3.46Å; P85-R88 PolarHBondContact O-N 2.84Å; F86-R88 VanDerWaalsContact C-N 3.34Å; F86-R88 PolarHBondContact O-N 3.11Å |
| 89 | K | 57.8 | Low | 51.8 | Low | 113 Ų | 113 | 95 Ų | 95 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.9 | -43.6 | -179.9 | -172.4 | 173.2 | 179.3 | -176.1 | 0 | 112.9 | N44 P85 F86 Y87 | N44-K89 PolarHBondContact ND2-NZ 3Å; N44-K89 PolarHBondContact OD1-NZ 3.48Å; P85-K89 PolarHBondContact O-N 2.92Å; F86-K89 PolarHBondContact O-N 3.36Å; Y87-K89 PolarHBondContact O-N 3.47Å |
| 90 | Y | 53.8 | Low | 52 | Low | 3 Ų | 3 | 96.1 Ų | 96.1 | 1% | 0.012 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -96.2 | -4.7 | -171.1 | -71 | -71.4 | 0 | 0 | 0 | 115.5 | N44 V47 F86 Y87 K92 Y93 I94 | N44-Y90 WeakPolarHBondContact CA-OH 3.29Å; N44-Y90 WeakPolarHBondContact CB-OH 3.28Å; N44-Y90 WeakPolarHBondContact OD1-CE2 3.32Å; N44-Y90 PolarHBondContact OD1-OH 3.06Å; V47-Y90 HydrophobicContact CB-CD1 3.91Å; V47-Y90 HydrophobicContact CB-CE1 3.81Å; V47-Y90 HydrophobicContact CG1-CD1 3.37Å; V47-Y90 HydrophobicContact CG1-CE1 3.72Å; V47-Y90 HydrophobicContact CG1-CG 4.13Å; V47-Y90 HydrophobicContact CG2-CD1 4.21Å; V47-Y90 HydrophobicContact CG2-CE1 4.32Å; V47-Y90 HydrophobicContact CG2-CG 4.39Å; F86-Y90 HydrophobicContact CD1-CD2 4.24Å; F86-Y90 AromaticContact CD2-CD2 3.66Å; F86-Y90 HydrophobicContact CD2-CD2 3.66Å; F86-Y90 AromaticContact CD2-CE2 3.72Å; F86-Y90 HydrophobicContact CD2-CE2 3.72Å; F86-Y90 AromaticContact CE1-CD2 3.99Å; F86-Y90 HydrophobicContact CE1-CD2 3.99Å; F86-Y90 AromaticContact CE2-CD2 3.35Å; F86-Y90 HydrophobicContact CE2-CD2 3.35Å; F86-Y90 AromaticContact CE2-CE2 3.31Å; F86-Y90 HydrophobicContact CE2-CE2 3.31Å; F86-Y90 HydrophobicContact CE2-CG 4.44Å; F86-Y90 HydrophobicContact CG-CD2 4.1Å; F86-Y90 AromaticContact CZ-CD2 3.55Å; F86-Y90 HydrophobicContact CZ-CD2 3.55Å; F86-Y90 AromaticContact CZ-CE2 3.92Å; F86-Y90 HydrophobicContact CZ-CE2 3.92Å; F86-Y90 HydrophobicContact CZ-CG 4.28Å; F86-Y90 WeakPolarHBondContact O-CD2 3.45Å; F86-Y90 PolarHBondContact O-N 3.03Å; F86-Y90 VanDerWaalsContact O-N 3.15Å; Y87-Y90 PolarHBondContact O-N 2.93Å; Y90-K92 PolarHBondContact O-N 2.98Å; Y90-Y93 AromaticContact CD1-CD2 3.86Å; Y90-Y93 HydrophobicContact CD1-CD2 3.86Å; Y90-Y93 HydrophobicContact CD1-CE2 4.15Å; Y90-Y93 HydrophobicContact CE1-CE2 4.4Å; Y90-Y93 PolarHBondContact O-N 2.96Å; Y90-I94 PolarHBondContact O-N 3.46Å |
| 91 | H | 55.3 | Low | 52.4 | Low | 25 Ų | 25 | 98 Ų | 98 | 12% | 0.116 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -50.6 | -36.8 | -177.5 | -174.9 | -163.5 | 0 | 0 | 0 | 114.5 | Y87 Y93 I94 R95 | Y87-H91 HydrophobicContact CE2-CB 4.33Å; Y87-H91 AromaticContact CE2-CD2 3.99Å; Y87-H91 AromaticContact CZ-CD2 3.73Å; Y87-H91 AromaticContact CZ-CE1 3.98Å; Y87-H91 AromaticContact CZ-CG 3.77Å; Y87-H91 AromaticContact CZ-ND1 3.98Å; Y87-H91 AromaticContact CZ-NE2 3.96Å; Y87-H91 WeakPolarHBondContact O-CB 2.92Å; Y87-H91 PolarHBondContact O-N 3.11Å; Y87-H91 PolarHBondContact OH-CD2 3.39Å; Y87-H91 PolarHBondContact OH-CE1 2.91Å; Y87-H91 PolarHBondContact OH-ND1 2.92Å; Y87-H91 PolarHBondContact OH-NE2 3.27Å; H91-Y93 PolarHBondContact O-N 3.15Å; H91-I94 PolarHBondContact O-N 3.39Å; H91-R95 PolarHBondContact CE1-NE 3.08Å; H91-R95 PolarHBondContact CE1-NH2 3.15Å; H91-R95 PolarHBondContact ND1-NE 3.15Å; H91-R95 PolarHBondContact ND1-NH2 3.09Å; H91-R95 VanDerWaalsContact ND1-NH2 3.12Å; H91-R95 WeakPolarHBondContact NE2-CG 3.43Å; H91-R95 PolarHBondContact NE2-NE 3.43Å; H91-R95 WeakPolarHBondContact O-CG 3.19Å; H91-R95 PolarHBondContact O-N 3.05Å |
| 92 | K | 61.2 | Low | 52.6 | Low | 135 Ų | 135 | 95.1 Ų | 95.1 | 59% | 0.587 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | -179.5 | 71.3 | -179.9 | -176.3 | 179.7 | 0 | 113.2 | Y90 R96 | Y90-K92 PolarHBondContact O-N 2.98Å; K92-R96 PolarHBondContact O-N 3.36Å; K92-R96 VanDerWaalsContact O-N 3.1Å |
| 93 | Y | 54.5 | Low | 52.8 | Low | 98 Ų | 98 | 97.4 Ų | 97.4 | 38% | 0.384 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.1 | -41.9 | -179.9 | -60.8 | -82 | 0 | 0 | 0 | 110.6 | Y90 H91 R95 R96 W97 | Y90-Y93 AromaticContact CD1-CD2 3.86Å; Y90-Y93 HydrophobicContact CD1-CD2 3.86Å; Y90-Y93 HydrophobicContact CD1-CE2 4.15Å; Y90-Y93 HydrophobicContact CE1-CE2 4.4Å; Y90-Y93 PolarHBondContact O-N 2.96Å; H91-Y93 PolarHBondContact O-N 3.15Å; Y93-R95 PolarHBondContact O-N 3.35Å; Y93-R96 PolarHBondContact O-N 2.86Å; Y93-W97 PolarHBondContact O-N 2.68Å |
| 94 | I | 50.5 | Low | 53.1 | Low | 12 Ų | 12 | 102.3 Ų | 102.3 | 6% | 0.062 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.9 | -49.8 | 167 | 0 | 0 | 0 | 111.2 | R9 L13 Y87 Y90 H91 R96 W97 L98 | R9-I94 HydrophobicContact CB-CD1 4Å; R9-I94 HydrophobicContact CB-CG2 3.91Å; R9-I94 HydrophobicContact CG-CG2 3.71Å; L13-I94 HydrophobicContact CD1-CD1 3.28Å; L13-I94 HydrophobicContact CD1-CG1 3.68Å; L13-I94 HydrophobicContact CD2-CG1 4.24Å; L13-I94 HydrophobicContact CG-CD1 3.84Å; L13-I94 HydrophobicContact CG-CG1 4.11Å; Y87-I94 HydrophobicContact CE2-CD1 4.5Å; Y90-I94 PolarHBondContact O-N 3.46Å; H91-I94 PolarHBondContact O-N 3.39Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-W97 PolarHBondContact O-N 3.41Å; I94-L98 HydrophobicContact CG2-CD1 4.03Å; I94-L98 WeakPolarHBondContact O-CG 3.47Å; I94-L98 PolarHBondContact O-N 2.84Å; I94-L98 VanDerWaalsContact O-N 3.16Å |
| 95 | R | 57.5 | Low | 53.7 | Low | 116 Ų | 116 | 98.1 Ų | 98.1 | 44% | 0.438 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 175 | -73.4 | -169.4 | -149.9 | -163.4 | 13.7 | 112.7 | M1 H91 Y93 W97 R99 | M1-R95 HydrophobicContact CE-CG 4.2Å; H91-R95 PolarHBondContact CE1-NE 3.08Å; H91-R95 PolarHBondContact CE1-NH2 3.15Å; H91-R95 PolarHBondContact ND1-NE 3.15Å; H91-R95 PolarHBondContact ND1-NH2 3.09Å; H91-R95 VanDerWaalsContact ND1-NH2 3.12Å; H91-R95 WeakPolarHBondContact NE2-CG 3.43Å; H91-R95 PolarHBondContact NE2-NE 3.43Å; H91-R95 WeakPolarHBondContact O-CG 3.19Å; H91-R95 PolarHBondContact O-N 3.05Å; Y93-R95 PolarHBondContact O-N 3.35Å; R95-W97 VanDerWaalsContact C-N 3.3Å; R95-R99 PolarHBondContact O-N 3.15Å |
| 96 | R | 60.2 | Low | 54 | Low | 188 Ų | 188 | 98.1 Ų | 98.1 | 71% | 0.709 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.9 | -37.1 | 178.6 | -176.4 | 172.7 | -179 | 159.3 | 0.4 | 111.4 | K92 Y93 I94 | K92-R96 PolarHBondContact O-N 3.36Å; K92-R96 VanDerWaalsContact O-N 3.1Å; Y93-R96 PolarHBondContact O-N 2.86Å; I94-R96 VanDerWaalsContact C-N 3.34Å |
| 97 | W | 49.9 | Very low | 54.5 | Low | 81 Ų | 81 | 103.5 Ų | 103.5 | 31% | 0.307 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -74.3 | -29.8 | 179.5 | 179.6 | 72 | 0 | 0 | 0 | 114 | L56 I65 Y93 I94 R95 R99 | L56-W97 HydrophobicContact CB-CD2 4.14Å; L56-W97 HydrophobicContact CB-CG 4.36Å; L56-W97 HydrophobicContact CB-CZ2 4.14Å; L56-W97 HydrophobicContact CD1-CB 4.46Å; L56-W97 HydrophobicContact CD1-CD2 4.26Å; L56-W97 HydrophobicContact CD1-CG 3.99Å; L56-W97 HydrophobicContact CD2-CD2 3.74Å; L56-W97 HydrophobicContact CD2-CE3 3.73Å; L56-W97 HydrophobicContact CD2-CG 4.32Å; L56-W97 HydrophobicContact CD2-CH2 4.25Å; L56-W97 HydrophobicContact CD2-CZ2 4.31Å; L56-W97 HydrophobicContact CD2-CZ3 3.97Å; L56-W97 HydrophobicContact CG-CD2 4.3Å; L56-W97 WeakPolarHBondContact O-CZ2 3.46Å; I65-W97 HydrophobicContact CD1-CH2 3.61Å; I65-W97 HydrophobicContact CD1-CZ3 3.96Å; Y93-W97 PolarHBondContact O-N 2.68Å; I94-W97 PolarHBondContact O-N 3.41Å; R95-W97 VanDerWaalsContact C-N 3.3Å; W97-R99 VanDerWaalsContact C-N 3.34Å |
| 98 | L | 42.7 | Very low | 54.9 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 42% | 0.419 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -6.4 | 178.4 | -75.2 | 169.7 | 0 | 0 | 0 | 114.8 | R9 I94 | R9-L98 HydrophobicContact CG-CD1 4.33Å; R9-L98 VanDerWaalsContact NH1-CD1 3.25Å; I94-L98 HydrophobicContact CG2-CD1 4.03Å; I94-L98 WeakPolarHBondContact O-CG 3.47Å; I94-L98 PolarHBondContact O-N 2.84Å; I94-L98 VanDerWaalsContact O-N 3.16Å |
| 99 | R | 60.1 | Low | 54.9 | Low | 250 Ų | 250 | 100.1 Ų | 100.1 | 94% | 0.943 | 41% | 0.406 | S | S | * | . | trans | -87.7 | 0 | 168.7 | -77.3 | -174.3 | -75.8 | 179.8 | -2.7 | 108.1 | R95 W97 | R95-R99 PolarHBondContact O-N 3.15Å; W97-R99 VanDerWaalsContact C-N 3.34Å |
Retrieved 99 of 99 residues in 295.5 ms
(Link to these results)