| 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 | 58.2 | Low | 77.4 | Confident | 129 Ų | 129 | 120.1 Ų | 120.1 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | 0 | 130.4 | 0 | -87.6 | 164.8 | 69.2 | 0 | 0 | 110 | Q5 R6 L9 | M1-Q5 HydrophobicContact CB-CB 4.16Å; M1-Q5 VanDerWaalsContact CE-C 3.45Å; M1-Q5 HydrophobicContact CE-CB 3.72Å; M1-Q5 WeakPolarHBondContact CE-O 3.38Å; M1-Q5 HydrophobicContact CG-CB 4.09Å; M1-R6 HydrophobicContact CB-CG 4.17Å; M1-R6 HydrophobicContact CE-CB 4.47Å; M1-R6 HydrophobicContact CE-CG 3.9Å; M1-L9 HydrophobicContact CE-CB 4.27Å; M1-L9 HydrophobicContact CE-CD2 4.24Å | |||
| 2 | K | 78.1 | Confident | 78.1 | Confident | 175 Ų | 175 | 117.6 Ų | 117.6 | 76% | 0.761 | 59% | 0.587 | S | S | * | * | trans | -66.9 | 150.2 | 172 | -66.6 | -178.8 | 178.6 | 179 | 0 | 109.3 | K4 Q5 R6 | K2-K4 PolarHBondContact O-N 3.49Å; K2-Q5 WeakPolarHBondContact O-CB 3.2Å; K2-Q5 PolarHBondContact O-N 2.84Å; K2-R6 PolarHBondContact O-N 3.2Å | ||
| 3 | L | 77.1 | Confident | 78.7 | Confident | 139 Ų | 139 | 116.3 Ų | 116.3 | 73% | 0.728 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -47.5 | -39.9 | -176.6 | -173.1 | 67.2 | 0 | 0 | 0 | 113 | Q5 R6 V7 | L3-Q5 VanDerWaalsContact C-N 3.35Å; L3-Q5 PolarHBondContact O-N 3.4Å; L3-R6 PolarHBondContact O-N 2.91Å; L3-R6 VanDerWaalsContact O-N 3.13Å; L3-V7 WeakPolarHBondContact O-CG2 3.44Å; L3-V7 PolarHBondContact O-N 2.98Å; L3-V7 VanDerWaalsContact O-N 3.11Å |
| 4 | K | 72.1 | Confident | 79.2 | Confident | 178 Ų | 178 | 115.4 Ų | 115.4 | 77% | 0.774 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.6 | -39.9 | 175.3 | -69.9 | -171.9 | 175.9 | -174.2 | 0 | 113.8 | K2 R6 V7 V8 | K2-K4 PolarHBondContact O-N 3.49Å; K4-R6 VanDerWaalsContact C-N 3.35Å; K4-V7 PolarHBondContact O-N 3Å; K4-V8 VanDerWaalsContact O-CG2 3.32Å; K4-V8 WeakPolarHBondContact O-CG2 3.42Å; K4-V8 PolarHBondContact O-N 2.72Å; K4-V8 VanDerWaalsContact O-N 3.1Å |
| 5 | Q | 75.4 | Confident | 79.6 | Confident | 110 Ų | 110 | 112.8 Ų | 112.8 | 51% | 0.514 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.8 | -32.5 | 177.7 | -73.6 | 174.8 | -44.1 | 0 | 0 | 112.1 | M1 K2 L3 L9 | M1-Q5 HydrophobicContact CB-CB 4.16Å; M1-Q5 VanDerWaalsContact CE-C 3.45Å; M1-Q5 HydrophobicContact CE-CB 3.72Å; M1-Q5 WeakPolarHBondContact CE-O 3.38Å; M1-Q5 HydrophobicContact CG-CB 4.09Å; K2-Q5 WeakPolarHBondContact O-CB 3.2Å; K2-Q5 PolarHBondContact O-N 2.84Å; L3-Q5 VanDerWaalsContact C-N 3.35Å; L3-Q5 PolarHBondContact O-N 3.4Å; Q5-L9 WeakPolarHBondContact O-CB 3.15Å; Q5-L9 PolarHBondContact O-N 2.79Å |
| 6 | R | 78.9 | Confident | 79.8 | Confident | 151 Ų | 151 | 111.5 Ų | 111.5 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.6 | -40.4 | 176.7 | -70.1 | -177.2 | 175.2 | 171.5 | -1.3 | 111.5 | M1 K2 L3 K4 L9 L10 | M1-R6 HydrophobicContact CB-CG 4.17Å; M1-R6 HydrophobicContact CE-CB 4.47Å; M1-R6 HydrophobicContact CE-CG 3.9Å; K2-R6 PolarHBondContact O-N 3.2Å; L3-R6 PolarHBondContact O-N 2.91Å; L3-R6 VanDerWaalsContact O-N 3.13Å; K4-R6 VanDerWaalsContact C-N 3.35Å; R6-L9 PolarHBondContact O-N 2.6Å; R6-L10 WeakPolarHBondContact O-CB 3.34Å; R6-L10 PolarHBondContact O-N 3.33Å |
| 7 | V | 80.4 | Confident | 79.8 | Confident | 90 Ų | 90 | 112.3 Ų | 112.3 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L3 K4 L10 A11 | L3-V7 WeakPolarHBondContact O-CG2 3.44Å; L3-V7 PolarHBondContact O-N 2.98Å; L3-V7 VanDerWaalsContact O-N 3.11Å; K4-V7 PolarHBondContact O-N 3Å; V7-L10 PolarHBondContact O-N 3.48Å; V7-A11 WeakPolarHBondContact O-CB 3.47Å; V7-A11 PolarHBondContact O-N 3.03Å |
| 8 | V | 82.2 | Confident | 79.6 | Confident | 85 Ų | 85 | 110.8 Ų | 110.8 | 52% | 0.515 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -42.6 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | K4 L10 A11 I12 | K4-V8 VanDerWaalsContact O-CG2 3.32Å; K4-V8 WeakPolarHBondContact O-CG2 3.42Å; K4-V8 PolarHBondContact O-N 2.72Å; K4-V8 VanDerWaalsContact O-N 3.1Å; V8-L10 PolarHBondContact O-N 3.46Å; V8-A11 PolarHBondContact O-N 3.02Å; V8-I12 HydrophobicContact CG1-CD1 3.79Å; V8-I12 HydrophobicContact CG1-CG1 4.46Å; V8-I12 VanDerWaalsContact O-CG1 3.29Å; V8-I12 WeakPolarHBondContact O-CG1 3.43Å; V8-I12 PolarHBondContact O-N 2.87Å |
| 9 | L | 82.1 | Confident | 79.1 | Confident | 92 Ų | 92 | 112.2 Ų | 112.2 | 48% | 0.482 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.4 | -41.9 | 177.3 | -161.1 | 82.7 | 0 | 0 | 0 | 111.7 | M1 Q5 R6 I12 L13 | M1-L9 HydrophobicContact CE-CB 4.27Å; M1-L9 HydrophobicContact CE-CD2 4.24Å; Q5-L9 WeakPolarHBondContact O-CB 3.15Å; Q5-L9 PolarHBondContact O-N 2.79Å; R6-L9 PolarHBondContact O-N 2.6Å; L9-I12 PolarHBondContact O-N 2.59Å; L9-L13 HydrophobicContact CG-CD1 4.36Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.41Å |
| 10 | L | 83.2 | Confident | 78.5 | Confident | 119 Ų | 119 | 110 Ų | 110 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.6 | -41.6 | 175.5 | -108.5 | 138.6 | 0 | 0 | 0 | 112 | R6 V7 V8 L13 L14 | R6-L10 WeakPolarHBondContact O-CB 3.34Å; R6-L10 PolarHBondContact O-N 3.33Å; V7-L10 PolarHBondContact O-N 3.48Å; V8-L10 PolarHBondContact O-N 3.46Å; L10-L13 PolarHBondContact O-N 2.97Å; L10-L14 WeakPolarHBondContact O-CB 3.19Å; L10-L14 PolarHBondContact O-N 3.37Å |
| 11 | A | 83.7 | Confident | 77.5 | Confident | 53 Ų | 53 | 110.4 Ų | 110.4 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V7 V8 L14 V15 | V7-A11 WeakPolarHBondContact O-CB 3.47Å; V7-A11 PolarHBondContact O-N 3.03Å; V8-A11 PolarHBondContact O-N 3.02Å; A11-L14 PolarHBondContact O-N 2.84Å; A11-V15 VanDerWaalsContact O-CG2 3.31Å; A11-V15 WeakPolarHBondContact O-CG2 3.19Å; A11-V15 PolarHBondContact O-N 3.06Å |
| 12 | I | 86.4 | Confident | 77.5 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.4 | -68.4 | 167.1 | 0 | 0 | 0 | 110.8 | V8 L9 L14 V15 I16 | V8-I12 HydrophobicContact CG1-CD1 3.79Å; V8-I12 HydrophobicContact CG1-CG1 4.46Å; V8-I12 VanDerWaalsContact O-CG1 3.29Å; V8-I12 WeakPolarHBondContact O-CG1 3.43Å; V8-I12 PolarHBondContact O-N 2.87Å; L9-I12 PolarHBondContact O-N 2.59Å; I12-L14 VanDerWaalsContact C-N 3.31Å; I12-L14 PolarHBondContact O-N 2.92Å; I12-V15 PolarHBondContact O-N 2.92Å; I12-I16 HydrophobicContact CG2-CD1 3.72Å; I12-I16 HydrophobicContact CG2-CG1 4.38Å; I12-I16 WeakPolarHBondContact O-CB 3.32Å; I12-I16 VanDerWaalsContact O-CG1 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.43Å; I12-I16 PolarHBondContact O-N 2.93Å |
| 13 | L | 86.1 | Confident | 76.3 | Confident | 101 Ų | 101 | 106.2 Ų | 106.2 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 177 | -73.7 | 170 | 0 | 0 | 0 | 112.2 | L9 L10 I16 F17 | L9-L13 HydrophobicContact CG-CD1 4.36Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 2.97Å; L13-I16 PolarHBondContact O-N 3.06Å; L13-F17 VanDerWaalsContact O-CB 3.25Å; L13-F17 WeakPolarHBondContact O-CB 3.49Å; L13-F17 PolarHBondContact O-N 3.32Å |
| 14 | L | 85.8 | Confident | 75 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176 | -154.4 | 97.1 | 0 | 0 | 0 | 111.4 | L10 A11 I12 F17 I18 | L10-L14 WeakPolarHBondContact O-CB 3.19Å; L10-L14 PolarHBondContact O-N 3.37Å; A11-L14 PolarHBondContact O-N 2.84Å; I12-L14 VanDerWaalsContact C-N 3.31Å; I12-L14 PolarHBondContact O-N 2.92Å; L14-F17 PolarHBondContact O-N 2.66Å; L14-I18 HydrophobicContact CD2-CD1 4Å; L14-I18 HydrophobicContact CG-CD1 4.23Å; L14-I18 WeakPolarHBondContact O-CB 3.32Å; L14-I18 WeakPolarHBondContact O-CD1 3.34Å; L14-I18 VanDerWaalsContact O-CG1 3.23Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.05Å |
| 15 | V | 84.4 | Confident | 73.9 | Confident | 76 Ų | 76 | 100.3 Ų | 100.3 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 174.9 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | A11 I12 F17 I18 F19 | A11-V15 VanDerWaalsContact O-CG2 3.31Å; A11-V15 WeakPolarHBondContact O-CG2 3.19Å; A11-V15 PolarHBondContact O-N 3.06Å; I12-V15 PolarHBondContact O-N 2.92Å; V15-F17 VanDerWaalsContact C-N 3.3Å; V15-F17 PolarHBondContact O-N 3.24Å; V15-I18 PolarHBondContact O-N 2.84Å; V15-F19 HydrophobicContact CG1-CD2 3.58Å; V15-F19 HydrophobicContact CG1-CE2 3.76Å; V15-F19 WeakPolarHBondContact O-CB 3.46Å; V15-F19 WeakPolarHBondContact O-CD2 3.48Å; V15-F19 PolarHBondContact O-N 2.8Å |
| 16 | I | 83.1 | Confident | 72.3 | Confident | 92 Ų | 92 | 100.2 Ų | 100.2 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 175.5 | -68.4 | 167.4 | 0 | 0 | 0 | 110.6 | I12 L13 F19 T20 | I12-I16 HydrophobicContact CG2-CD1 3.72Å; I12-I16 HydrophobicContact CG2-CG1 4.38Å; I12-I16 WeakPolarHBondContact O-CB 3.32Å; I12-I16 VanDerWaalsContact O-CG1 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.43Å; I12-I16 PolarHBondContact O-N 2.93Å; L13-I16 PolarHBondContact O-N 3.06Å; I16-F19 PolarHBondContact O-N 2.72Å; I16-T20 WeakPolarHBondContact O-CB 3.38Å; I16-T20 PolarHBondContact O-N 2.82Å; I16-T20 PolarHBondContact O-OG1 3.31Å |
| 17 | F | 79.7 | Confident | 70.5 | Confident | 125 Ų | 125 | 96.7 Ų | 96.7 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.7 | -175.6 | -100.4 | 0 | 0 | 0 | 112.2 | L13 L14 V15 T20 K21 | L13-F17 VanDerWaalsContact O-CB 3.25Å; L13-F17 WeakPolarHBondContact O-CB 3.49Å; L13-F17 PolarHBondContact O-N 3.32Å; L14-F17 PolarHBondContact O-N 2.66Å; V15-F17 VanDerWaalsContact C-N 3.3Å; V15-F17 PolarHBondContact O-N 3.24Å; F17-T20 VanDerWaalsContact CA-OG1 3.3Å; F17-T20 WeakPolarHBondContact CA-OG1 3.27Å; F17-T20 PolarHBondContact O-OG1 3.3Å; F17-K21 HydrophobicContact CE1-CD 4.22Å; F17-K21 HydrophobicContact CZ-CD 4.48Å; F17-K21 WeakPolarHBondContact O-CB 3.47Å; F17-K21 PolarHBondContact O-N 2.71Å |
| 18 | I | 75.9 | Confident | 68.7 | Low | 85 Ų | 85 | 98.8 Ų | 98.8 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 175.4 | -70.5 | 161.4 | 0 | 0 | 0 | 110.1 | L14 V15 K21 V22 | L14-I18 HydrophobicContact CD2-CD1 4Å; L14-I18 HydrophobicContact CG-CD1 4.23Å; L14-I18 WeakPolarHBondContact O-CB 3.32Å; L14-I18 WeakPolarHBondContact O-CD1 3.34Å; L14-I18 VanDerWaalsContact O-CG1 3.23Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 3.05Å; V15-I18 PolarHBondContact O-N 2.84Å; I18-K21 PolarHBondContact O-N 2.81Å; I18-V22 HydrophobicContact CG2-CG2 4.33Å; I18-V22 WeakPolarHBondContact O-CB 3.28Å; I18-V22 VanDerWaalsContact O-CG2 3.27Å; I18-V22 WeakPolarHBondContact O-CG2 3.17Å; I18-V22 PolarHBondContact O-N 3.32Å |
| 19 | F | 70.7 | Confident | 67 | Low | 138 Ų | 138 | 100.8 Ų | 100.8 | 61% | 0.605 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 178 | -90.4 | -80.5 | 0 | 0 | 0 | 112.1 | V15 I16 V22 F23 | V15-F19 HydrophobicContact CG1-CD2 3.58Å; V15-F19 HydrophobicContact CG1-CE2 3.76Å; V15-F19 WeakPolarHBondContact O-CB 3.46Å; V15-F19 WeakPolarHBondContact O-CD2 3.48Å; V15-F19 PolarHBondContact O-N 2.8Å; I16-F19 PolarHBondContact O-N 2.72Å; F19-V22 PolarHBondContact O-N 2.83Å; F19-F23 VanDerWaalsContact O-CB 3.25Å; F19-F23 WeakPolarHBondContact O-CB 3.43Å; F19-F23 PolarHBondContact O-N 2.8Å |
| 20 | T | 66 | Low | 65.5 | Low | 68 Ų | 68 | 98.4 Ų | 98.4 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 174.7 | 36.2 | 0 | 0 | 0 | 0 | 111.8 | I16 F17 L24 | I16-T20 WeakPolarHBondContact O-CB 3.38Å; I16-T20 PolarHBondContact O-N 2.82Å; I16-T20 PolarHBondContact O-OG1 3.31Å; F17-T20 VanDerWaalsContact CA-OG1 3.3Å; F17-T20 WeakPolarHBondContact CA-OG1 3.27Å; F17-T20 PolarHBondContact O-OG1 3.3Å; T20-L24 WeakPolarHBondContact O-CB 3.33Å; T20-L24 WeakPolarHBondContact O-CD1 3.35Å; T20-L24 WeakPolarHBondContact O-CG 3.47Å; T20-L24 PolarHBondContact O-N 3.31Å |
| 21 | K | 58.6 | Low | 65 | Low | 119 Ų | 119 | 95.8 Ų | 95.8 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | 172.8 | -119.3 | -166.3 | 175.1 | -167.6 | 0 | 111.8 | F17 I18 L24 I25 | F17-K21 HydrophobicContact CE1-CD 4.22Å; F17-K21 HydrophobicContact CZ-CD 4.48Å; F17-K21 WeakPolarHBondContact O-CB 3.47Å; F17-K21 PolarHBondContact O-N 2.71Å; I18-K21 PolarHBondContact O-N 2.81Å; K21-L24 PolarHBondContact O-N 2.9Å; K21-I25 HydrophobicContact CB-CD1 4.32Å; K21-I25 HydrophobicContact CD-CD1 4.37Å; K21-I25 HydrophobicContact CG-CD1 4.22Å; K21-I25 VanDerWaalsContact O-CB 3.23Å; K21-I25 WeakPolarHBondContact O-CB 3.05Å; K21-I25 VanDerWaalsContact O-CD1 3.29Å; K21-I25 WeakPolarHBondContact O-CD1 3.48Å; K21-I25 WeakPolarHBondContact O-CG1 3.01Å; K21-I25 PolarHBondContact O-N 2.92Å |
| 22 | V | 58.2 | Low | 64.4 | Low | 68 Ų | 68 | 96.7 Ų | 96.7 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | I18 F19 L24 I25 D26 | I18-V22 HydrophobicContact CG2-CG2 4.33Å; I18-V22 WeakPolarHBondContact O-CB 3.28Å; I18-V22 VanDerWaalsContact O-CG2 3.27Å; I18-V22 WeakPolarHBondContact O-CG2 3.17Å; I18-V22 PolarHBondContact O-N 3.32Å; F19-V22 PolarHBondContact O-N 2.83Å; V22-L24 PolarHBondContact O-N 3.09Å; V22-I25 PolarHBondContact O-N 3.24Å; V22-D26 VanDerWaalsContact O-CB 3.3Å; V22-D26 WeakPolarHBondContact O-CB 3.2Å; V22-D26 PolarHBondContact O-N 3.38Å |
| 23 | F | 52.9 | Low | 63.7 | Low | 148 Ų | 148 | 93 Ų | 93 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.1 | -31.4 | 178.1 | -135.3 | -94.7 | 0 | 0 | 0 | 113.3 | F19 N27 | F19-F23 VanDerWaalsContact O-CB 3.25Å; F19-F23 WeakPolarHBondContact O-CB 3.43Å; F19-F23 PolarHBondContact O-N 2.8Å; F23-N27 VanDerWaalsContact CD1-ND2 3.27Å; F23-N27 WeakPolarHBondContact CD1-ND2 3.32Å; F23-N27 VanDerWaalsContact O-CB 3.24Å; F23-N27 WeakPolarHBondContact O-CB 3.32Å; F23-N27 PolarHBondContact O-N 3.27Å; F23-N27 PolarHBondContact O-ND2 3.31Å |
| 24 | L | 50.3 | Low | 63.5 | Low | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -75 | -40.6 | 173.6 | -85 | 157.6 | 0 | 0 | 0 | 111.3 | T20 K21 V22 N27 L28 | T20-L24 WeakPolarHBondContact O-CB 3.33Å; T20-L24 WeakPolarHBondContact O-CD1 3.35Å; T20-L24 WeakPolarHBondContact O-CG 3.47Å; T20-L24 PolarHBondContact O-N 3.31Å; K21-L24 PolarHBondContact O-N 2.9Å; V22-L24 PolarHBondContact O-N 3.09Å; L24-N27 CarbonylContact O-C 3.51Å; L24-N27 PolarHBondContact O-N 2.99Å; L24-L28 VanDerWaalsContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CB 3.21Å; L24-L28 VanDerWaalsContact O-CD1 3.23Å; L24-L28 WeakPolarHBondContact O-CD1 3.47Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 2.04Å |
| 25 | I | 47.8 | Very low | 63.4 | Low | 85 Ų | 85 | 89.9 Ų | 89.9 | 44% | 0.436 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 178.1 | -67.9 | 163 | 0 | 0 | 0 | 110.1 | K21 V22 N27 L28 D29 | K21-I25 HydrophobicContact CB-CD1 4.32Å; K21-I25 HydrophobicContact CD-CD1 4.37Å; K21-I25 HydrophobicContact CG-CD1 4.22Å; K21-I25 VanDerWaalsContact O-CB 3.23Å; K21-I25 WeakPolarHBondContact O-CB 3.05Å; K21-I25 VanDerWaalsContact O-CD1 3.29Å; K21-I25 WeakPolarHBondContact O-CD1 3.48Å; K21-I25 WeakPolarHBondContact O-CG1 3.01Å; K21-I25 PolarHBondContact O-N 2.92Å; V22-I25 PolarHBondContact O-N 3.24Å; I25-N27 VanDerWaalsContact C-N 3.3Å; I25-N27 PolarHBondContact O-N 2.93Å; I25-L28 PolarHBondContact O-N 2.98Å; I25-D29 PolarHBondContact O-N 2.96Å |
| 26 | D | 41.3 | Very low | 63.4 | Low | 108 Ų | 108 | 91 Ų | 91 | 58% | 0.578 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.7 | -27.1 | 175.6 | -73.4 | -19.3 | 0 | 0 | 0 | 112.8 | V22 | V22-D26 VanDerWaalsContact O-CB 3.3Å; V22-D26 WeakPolarHBondContact O-CB 3.2Å; V22-D26 PolarHBondContact O-N 3.38Å |
| 27 | N | 42.5 | Very low | 63.7 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -87.4 | -15 | 172.9 | -83 | -60.3 | 0 | 0 | 0 | 114.2 | F23 L24 I25 | F23-N27 VanDerWaalsContact CD1-ND2 3.27Å; F23-N27 WeakPolarHBondContact CD1-ND2 3.32Å; F23-N27 VanDerWaalsContact O-CB 3.24Å; F23-N27 WeakPolarHBondContact O-CB 3.32Å; F23-N27 PolarHBondContact O-N 3.27Å; F23-N27 PolarHBondContact O-ND2 3.31Å; L24-N27 CarbonylContact O-C 3.51Å; L24-N27 PolarHBondContact O-N 2.99Å; I25-N27 VanDerWaalsContact C-N 3.3Å; I25-N27 PolarHBondContact O-N 2.93Å |
| 28 | L | 41.5 | Very low | 64.2 | Low | 134 Ų | 134 | 85.3 Ų | 85.3 | 70% | 0.702 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -78.6 | -23.9 | 174.7 | -85.5 | 156.2 | 0 | 0 | 0 | 111.5 | L24 I25 | L24-L28 VanDerWaalsContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CB 3.21Å; L24-L28 VanDerWaalsContact O-CD1 3.23Å; L24-L28 WeakPolarHBondContact O-CD1 3.47Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 2.04Å; I25-L28 PolarHBondContact O-N 2.98Å |
| 29 | D | 45.8 | Very low | 65 | Low | 127 Ų | 127 | 89.9 Ų | 89.9 | 68% | 0.679 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -86.3 | -2.2 | -174.9 | -91.3 | -16.7 | 0 | 0 | 0 | 116 | I25 | I25-D29 PolarHBondContact O-N 2.96Š|
| 30 | T | 52.5 | Low | 66 | Low | 42 Ų | 42 | 83.7 Ų | 83.7 | 26% | 0.258 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -140.1 | 100.2 | 166.1 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | R35 | T30-R35 PolarHBondContact O-NE 3.26Å; T30-R35 PolarHBondContact O-NH2 3.21Å |
| 31 | S | 71.5 | Confident | 67.3 | Low | 64 Ų | 64 | 81.5 Ų | 81.5 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | trans | -50.5 | 151.3 | 167.4 | 72.2 | 0 | 0 | 0 | 0 | 109.8 | A33 N34 R35 | S31-A33 PolarHBondContact O-N 2.91Å; S31-A33 VanDerWaalsContact O-N 3.1Å; S31-N34 PolarHBondContact O-N 3.29Å; S31-N34 PolarHBondContact OG-N 2.94Å; S31-R35 PolarHBondContact O-N 3.27Å; S31-R35 VanDerWaalsContact O-N 3.16Å | ||
| 32 | A | 70.8 | Confident | 69.1 | Low | 72 Ų | 72 | 81.2 Ų | 81.2 | 60% | 0.595 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -53.2 | -33.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R35 E36 | A32-R35 PolarHBondContact O-N 2.63Å; A32-E36 PolarHBondContact O-N 2.71Å; A32-E36 VanDerWaalsContact O-N 3.12Å |
| 33 | A | 73.3 | Confident | 70.8 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 10% | 0.099 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | S31 R35 E36 D37 R403 | S31-A33 PolarHBondContact O-N 2.91Å; S31-A33 VanDerWaalsContact O-N 3.1Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 3.44Å; A33-E36 WeakPolarHBondContact O-CB 3.17Å; A33-E36 PolarHBondContact O-N 3.45Å; A33-E36 VanDerWaalsContact O-N 3.11Å; A33-D37 PolarHBondContact O-N 2.83Å; A33-R403 VanDerWaalsContact CA-NH2 3.3Å |
| 34 | N | 80.9 | Confident | 72.8 | Confident | 32 Ų | 32 | 76.7 Ų | 76.7 | 17% | 0.171 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | 177.5 | -167.1 | 16.5 | 0 | 0 | 0 | 112.3 | S31 E36 D37 Q38 Y344 | S31-N34 PolarHBondContact O-N 3.29Å; S31-N34 PolarHBondContact OG-N 2.94Å; N34-E36 VanDerWaalsContact C-N 3.33Å; N34-E36 PolarHBondContact O-N 2.85Å; N34-D37 PolarHBondContact O-N 2.63Å; N34-Q38 WeakPolarHBondContact O-CB 3.36Å; N34-Q38 PolarHBondContact O-N 3.16Å; N34-Y344 PolarHBondContact OD1-OH 2.96Å |
| 35 | R | 83.5 | Confident | 75 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 40% | 0.404 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 174.9 | -76.8 | -175.2 | -89.1 | -171.4 | -10.9 | 112.7 | T30 S31 A32 A33 R39 | T30-R35 PolarHBondContact O-NE 3.26Å; T30-R35 PolarHBondContact O-NH2 3.21Å; S31-R35 PolarHBondContact O-N 3.27Å; S31-R35 VanDerWaalsContact O-N 3.16Å; A32-R35 PolarHBondContact O-N 2.63Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 3.44Å; R35-R39 WeakPolarHBondContact O-CG 3.31Å; R35-R39 PolarHBondContact O-N 3.4Å; R35-R39 VanDerWaalsContact O-N 3.1Å |
| 36 | E | 85.2 | Confident | 77.2 | Confident | 99 Ų | 99 | 74.9 Ų | 74.9 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.1 | -46.1 | 175.9 | -169.4 | 173.9 | 168.5 | 0 | 0 | 111.3 | A32 A33 N34 Q38 R39 A40 R403 | A32-E36 PolarHBondContact O-N 2.71Å; A32-E36 VanDerWaalsContact O-N 3.12Å; A33-E36 WeakPolarHBondContact O-CB 3.17Å; A33-E36 PolarHBondContact O-N 3.45Å; A33-E36 VanDerWaalsContact O-N 3.11Å; N34-E36 VanDerWaalsContact C-N 3.33Å; N34-E36 PolarHBondContact O-N 2.85Å; E36-Q38 VanDerWaalsContact C-N 3.25Å; E36-Q38 PolarHBondContact O-N 3.35Å; E36-R39 PolarHBondContact O-N 2.98Å; E36-R39 VanDerWaalsContact O-N 3.07Å; E36-A40 PolarHBondContact O-N 3.27Å; E36-R403 VanDerWaalsContact CD-NH2 3.29Å; E36-R403 IonicContact OE2-CZ 2.86Å; E36-R403 IonicContact OE2-NH1 3.75Å; E36-R403 PolarHBondContact OE2-NH1 3.22Å; E36-R403 IonicContact OE2-NH2 3.03Å; E36-R403 PolarHBondContact OE2-NH2 2.95Å |
| 37 | D | 88.4 | Confident | 79.6 | Confident | 17 Ų | 17 | 72 Ų | 72 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 175.8 | -70.7 | -20.4 | 0 | 0 | 0 | 112 | A33 N34 A40 F41 N340 R341 Y344 | A33-D37 PolarHBondContact O-N 2.83Å; N34-D37 PolarHBondContact O-N 2.63Å; D37-A40 PolarHBondContact O-N 2.99Å; D37-F41 WeakPolarHBondContact O-CB 3.38Å; D37-F41 PolarHBondContact O-N 2.76Å; D37-N340 HydrophobicContact CB-CB 4.28Å; D37-N340 PolarHBondContact OD2-ND2 3.38Å; D37-R341 PolarHBondContact O-NH1 2.78Å; D37-Y344 HydrophobicContact CB-CE2 4.38Å |
| 38 | Q | 90.6 | Very high | 82.1 | Confident | 81 Ų | 81 | 69 Ų | 69 | 38% | 0.379 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.3 | -170.3 | 179.3 | 10.7 | 0 | 0 | 111.1 | N34 E36 F41 H42 Y344 | N34-Q38 WeakPolarHBondContact O-CB 3.36Å; N34-Q38 PolarHBondContact O-N 3.16Å; E36-Q38 VanDerWaalsContact C-N 3.25Å; E36-Q38 PolarHBondContact O-N 3.35Å; Q38-F41 WeakPolarHBondContact O-CB 3.32Å; Q38-F41 PolarHBondContact O-N 3.3Å; Q38-H42 PolarHBondContact O-N 2.95Å; Q38-H42 PolarHBondContact O-ND1 3.37Å; Q38-Y344 HydrophobicContact CB-CE2 4.49Å |
| 39 | R | 91.9 | Very high | 84.5 | Confident | 181 Ų | 181 | 71 Ų | 71 | 68% | 0.683 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 176.2 | -73 | 174.4 | -173.9 | 176.1 | 1.7 | 111.6 | R35 E36 F41 H42 R43 | R35-R39 WeakPolarHBondContact O-CG 3.31Å; R35-R39 PolarHBondContact O-N 3.4Å; R35-R39 VanDerWaalsContact O-N 3.1Å; E36-R39 PolarHBondContact O-N 2.98Å; E36-R39 VanDerWaalsContact O-N 3.07Å; R39-F41 VanDerWaalsContact C-N 3.27Å; R39-F41 PolarHBondContact O-N 3.39Å; R39-H42 PolarHBondContact O-N 3.46Å; R39-R43 PolarHBondContact O-N 3.09Å |
| 40 | A | 91.6 | Very high | 86.7 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E36 D37 R43 M44 E79 | E36-A40 PolarHBondContact O-N 3.27Å; D37-A40 PolarHBondContact O-N 2.99Å; A40-R43 PolarHBondContact O-N 3.2Å; A40-M44 WeakPolarHBondContact O-CB 3.49Å; A40-M44 PolarHBondContact O-N 2.9Å; A40-E79 WeakPolarHBondContact CA-OE1 3.38Å; A40-E79 VanDerWaalsContact CB-OE1 3.3Å; A40-E79 WeakPolarHBondContact CB-OE1 3.39Å |
| 41 | F | 94.7 | Very high | 88.5 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 10% | 0.096 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.1 | -175.8 | -106.4 | 0 | 0 | 0 | 112.4 | D37 Q38 R39 R43 M44 M45 R341 Y344 L345 V349 | D37-F41 WeakPolarHBondContact O-CB 3.38Å; D37-F41 PolarHBondContact O-N 2.76Å; Q38-F41 WeakPolarHBondContact O-CB 3.32Å; Q38-F41 PolarHBondContact O-N 3.3Å; R39-F41 VanDerWaalsContact C-N 3.27Å; R39-F41 PolarHBondContact O-N 3.39Å; F41-R43 PolarHBondContact O-N 3.48Å; F41-M44 HydrophobicContact CD2-CE 3.52Å; F41-M44 HydrophobicContact CE2-CE 3.53Å; F41-M44 HydrophobicContact CG-CE 4.48Å; F41-M44 HydrophobicContact CZ-CE 4.48Å; F41-M44 PolarHBondContact O-N 3.2Å; F41-M45 HydrophobicContact CD1-CG 4.17Å; F41-M45 HydrophobicContact CD2-CG 4.46Å; F41-M45 HydrophobicContact CE1-CG 3.74Å; F41-M45 HydrophobicContact CE1-SD 4.5Å; F41-M45 HydrophobicContact CE2-CG 4.07Å; F41-M45 HydrophobicContact CE2-SD 4.19Å; F41-M45 HydrophobicContact CZ-CG 3.68Å; F41-M45 HydrophobicContact CZ-SD 3.89Å; F41-M45 WeakPolarHBondContact O-CG 3.38Å; F41-M45 PolarHBondContact O-N 3.34Å; F41-R341 VanDerWaalsContact N-NH1 3.18Å; F41-Y344 HydrophobicContact CB-CD2 3.9Å; F41-Y344 HydrophobicContact CB-CE2 4.4Å; F41-Y344 HydrophobicContact CD1-CD2 4.4Å; F41-Y344 HydrophobicContact CD1-CG 4.21Å; F41-Y344 HydrophobicContact CD2-CD2 4.11Å; F41-Y344 HydrophobicContact CD2-CG 4.25Å; F41-Y344 AromaticContact CG-CD2 3.87Å; F41-Y344 HydrophobicContact CG-CD2 3.87Å; F41-Y344 HydrophobicContact CG-CG 4.07Å; F41-L345 HydrophobicContact CE2-CD2 3.85Å; F41-L345 HydrophobicContact CE2-CG 4.09Å; F41-L345 HydrophobicContact CZ-CD2 4.45Å; F41-V349 HydrophobicContact CZ-CG1 4.08Å |
| 42 | H | 95.4 | Very high | 89.6 | Confident | 112 Ų | 112 | 69.2 Ų | 69.2 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 179.5 | -71.2 | 86.8 | 0 | 0 | 0 | 112 | Q38 R39 M45 A46 | Q38-H42 PolarHBondContact O-N 2.95Å; Q38-H42 PolarHBondContact O-ND1 3.37Å; R39-H42 PolarHBondContact O-N 3.46Å; H42-M45 PolarHBondContact O-N 3.28Å; H42-A46 WeakPolarHBondContact O-CB 3.32Å; H42-A46 PolarHBondContact O-N 2.86Å |
| 43 | R | 94.2 | Very high | 90.5 | Very high | 104 Ų | 104 | 67.4 Ų | 67.4 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 174.6 | -73.6 | -170.3 | -65.1 | -176.5 | -3 | 111.4 | R39 A40 F41 M45 A46 S47 E79 E80 | R39-R43 PolarHBondContact O-N 3.09Å; A40-R43 PolarHBondContact O-N 3.2Å; F41-R43 PolarHBondContact O-N 3.48Å; R43-M45 PolarHBondContact O-N 2.9Å; R43-A46 PolarHBondContact O-N 3.45Å; R43-S47 PolarHBondContact O-N 3.47Å; R43-S47 VanDerWaalsContact O-N 3.09Å; R43-S47 PolarHBondContact O-OG 2.9Å; R43-E79 IonicContact CZ-OE1 3.8Å; R43-E79 IonicContact CZ-OE2 2.72Å; R43-E79 IonicContact NE-OE1 2.84Å; R43-E79 PolarHBondContact NE-OE1 3.25Å; R43-E79 IonicContact NH2-OE1 2.68Å; R43-E79 PolarHBondContact NH2-OE1 3.18Å; R43-E79 IonicContact NH2-OE2 3.13Å; R43-E79 PolarHBondContact NH2-OE2 2.87Å; R43-E80 IonicContact CZ-OE1 3.53Å; R43-E80 IonicContact NH1-OE1 3.13Å; R43-E80 PolarHBondContact NH1-OE1 3.43Å |
| 44 | M | 94.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.089 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 175.6 | 177.3 | -78.6 | -65.5 | 0 | 0 | 111.8 | A40 F41 A46 S47 L48 I156 | A40-M44 WeakPolarHBondContact O-CB 3.49Å; A40-M44 PolarHBondContact O-N 2.9Å; F41-M44 HydrophobicContact CD2-CE 3.52Å; F41-M44 HydrophobicContact CE2-CE 3.53Å; F41-M44 HydrophobicContact CG-CE 4.48Å; F41-M44 HydrophobicContact CZ-CE 4.48Å; F41-M44 PolarHBondContact O-N 3.2Å; M44-A46 VanDerWaalsContact C-N 3.26Å; M44-A46 PolarHBondContact O-N 2.89Å; M44-S47 CarbonylContact O-C 3.58Å; M44-S47 PolarHBondContact O-N 3.39Å; M44-S47 VanDerWaalsContact O-N 3.08Å; M44-S47 PolarHBondContact O-OG 3.24Å; M44-L48 PolarHBondContact O-N 2.95Å; M44-L48 HydrophobicContact SD-CD2 3.56Å; M44-L48 VanDerWaalsContact SD-CD2 3.56Å; M44-L48 HydrophobicContact SD-CG 4.29Å; M44-I156 HydrophobicContact CE-CG2 4.41Å; M44-I156 WeakPolarHBondContact CE-O 3.45Å; M44-I156 HydrophobicContact SD-CB 4.43Å; M44-I156 HydrophobicContact SD-CG1 4.27Å; M44-I156 HydrophobicContact SD-CG2 4.48Å |
| 45 | M | 96.6 | Very high | 91.7 | Very high | 65 Ų | 65 | 78.3 Ų | 78.3 | 32% | 0.32 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | 178.3 | -72.6 | -61 | -63 | 0 | 0 | 112.3 | F41 H42 R43 S47 L48 V349 A353 | F41-M45 HydrophobicContact CD1-CG 4.17Å; F41-M45 HydrophobicContact CD2-CG 4.46Å; F41-M45 HydrophobicContact CE1-CG 3.74Å; F41-M45 HydrophobicContact CE1-SD 4.5Å; F41-M45 HydrophobicContact CE2-CG 4.07Å; F41-M45 HydrophobicContact CE2-SD 4.19Å; F41-M45 HydrophobicContact CZ-CG 3.68Å; F41-M45 HydrophobicContact CZ-SD 3.89Å; F41-M45 WeakPolarHBondContact O-CG 3.38Å; F41-M45 PolarHBondContact O-N 3.34Å; H42-M45 PolarHBondContact O-N 3.28Å; R43-M45 PolarHBondContact O-N 2.9Å; M45-S47 VanDerWaalsContact C-N 3.34Å; M45-L48 HydrophobicContact CE-CD1 3.84Å; M45-L48 WeakPolarHBondContact O-CG 3.14Å; M45-L48 HydrophobicContact SD-CD1 3.88Å; M45-V349 HydrophobicContact CE-CG1 4.24Å; M45-V349 HydrophobicContact SD-CG1 4.42Å; M45-A353 HydrophobicContact CE-CB 4.36Å; M45-A353 HydrophobicContact SD-CB 4.1Å |
| 46 | A | 94.7 | Very high | 91.9 | Very high | 90 Ų | 90 | 75 Ų | 75 | 74% | 0.744 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -72.2 | -25.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H42 R43 M44 | H42-A46 WeakPolarHBondContact O-CB 3.32Å; H42-A46 PolarHBondContact O-N 2.86Å; R43-A46 PolarHBondContact O-N 3.45Å; M44-A46 VanDerWaalsContact C-N 3.26Å; M44-A46 PolarHBondContact O-N 2.89Å |
| 47 | S | 91.9 | Very high | 91.6 | Very high | 48 Ų | 48 | 75.9 Ų | 75.9 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 13.5 | -177.2 | 67.7 | 0 | 0 | 0 | 0 | 114.5 | R43 M44 M45 R49 R155 | R43-S47 PolarHBondContact O-N 3.47Å; R43-S47 VanDerWaalsContact O-N 3.09Å; R43-S47 PolarHBondContact O-OG 2.9Å; M44-S47 CarbonylContact O-C 3.58Å; M44-S47 PolarHBondContact O-N 3.39Å; M44-S47 VanDerWaalsContact O-N 3.08Å; M44-S47 PolarHBondContact O-OG 3.24Å; M45-S47 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 3.46Å; S47-R155 PolarHBondContact O-NH2 3.27Å |
| 48 | L | 93.8 | Very high | 91 | Very high | 12 Ų | 12 | 80.9 Ų | 80.9 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | trans | -57.3 | -47.9 | 178.7 | -72.8 | 175.2 | 0 | 0 | 0 | 112.2 | M44 M45 V50 I156 A353 A356 A357 | M44-L48 PolarHBondContact O-N 2.95Å; M44-L48 HydrophobicContact SD-CD2 3.56Å; M44-L48 VanDerWaalsContact SD-CD2 3.56Å; M44-L48 HydrophobicContact SD-CG 4.29Å; M45-L48 HydrophobicContact CE-CD1 3.84Å; M45-L48 WeakPolarHBondContact O-CG 3.14Å; M45-L48 HydrophobicContact SD-CD1 3.88Å; L48-V50 PolarHBondContact O-N 3.13Å; L48-I156 HydrophobicContact CD2-CD1 4.19Å; L48-I156 HydrophobicContact CD2-CG1 3.64Å; L48-A353 HydrophobicContact CD1-CB 3.81Å; L48-A353 HydrophobicContact CD2-CB 4.24Å; L48-A356 HydrophobicContact CD1-CB 4.4Å; L48-A357 HydrophobicContact CB-CB 4.42Å; L48-A357 HydrophobicContact CD2-CB 4.23Å; L48-A357 WeakPolarHBondContact O-CA 3.23Å | ||
| 49 | R | 91.9 | Very high | 90 | Very high | 176 Ų | 176 | 83.1 Ų | 83.1 | 66% | 0.664 | 41% | 0.407 | S | S | * | . | trans | -80.2 | 116.6 | -179.9 | -66.5 | -176.4 | -177.7 | -174.4 | 1.7 | 108.9 | S47 | S47-R49 PolarHBondContact O-N 3.46Š| ||
| 50 | V | 92 | Very high | 89.5 | Confident | 18 Ų | 18 | 82.6 Ų | 82.6 | 11% | 0.109 | 42% | 0.417 | C | S | . | . | trans | -108.7 | 110.1 | 175 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | L48 L84 M88 R155 | L48-V50 PolarHBondContact O-N 3.13Å; V50-L84 HydrophobicContact CG1-CB 4.4Å; V50-L84 HydrophobicContact CG1-CG 4.11Å; V50-L84 HydrophobicContact CG2-CD2 3.82Å; V50-L84 HydrophobicContact CG2-CG 4.34Å; V50-M88 HydrophobicContact CG1-SD 4.3Å; V50-R155 VanDerWaalsContact CG2-NH1 3.33Å | ||
| 51 | E | 91.4 | Very high | 89.2 | Confident | 141 Ų | 141 | 85.1 Ų | 85.1 | 66% | 0.659 | 43% | 0.428 | S | S | * | . | trans | -73.8 | 129.2 | 171.7 | -171.3 | 171.6 | -175.4 | 0 | 0 | 108.9 | D53 G85 | E51-D53 PolarHBondContact O-N 3.27Å; E51-G85 WeakPolarHBondContact O-CA 3.36Å | ||
| 52 | L | 93.2 | Very high | 89.1 | Confident | 38 Ų | 38 | 85.9 Ų | 85.9 | 20% | 0.199 | 44% | 0.436 | C | S | . | . | trans | -79.9 | 77 | 178.6 | -61.4 | -171.6 | 0 | 0 | 0 | 110 | M88 H89 V166 P362 | L52-M88 HydrophobicContact CD2-CB 3.4Å; L52-M88 HydrophobicContact CD2-CE 4.5Å; L52-H89 HydrophobicContact CB-CB 4.05Å; L52-H89 PolarHBondContact O-CD2 3.31Å; L52-H89 VanDerWaalsContact O-CD2 3.26Å; L52-V166 HydrophobicContact CD1-CG2 4.34Å; L52-P362 HydrophobicContact CD1-CG 3.75Å | ||
| 53 | D | 91 | Very high | 89.2 | Confident | 34 Ų | 34 | 81.5 Ų | 81.5 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | trans | -105.9 | 127.9 | -179.3 | -171.4 | -33.2 | 0 | 0 | 0 | 111 | E51 R55 A86 | E51-D53 PolarHBondContact O-N 3.27Å; D53-R55 VanDerWaalsContact CG-NE 3.34Å; D53-R55 PolarHBondContact O-N 3.4Å; D53-R55 VanDerWaalsContact O-N 3.15Å; D53-R55 VanDerWaalsContact OD1-CB 3.3Å; D53-R55 WeakPolarHBondContact OD1-CB 3.31Å; D53-R55 WeakPolarHBondContact OD1-CG 3.44Å; D53-R55 PolarHBondContact OD1-N 3.34Å; D53-R55 IonicContact OD1-NE 2.59Å; D53-R55 PolarHBondContact OD1-NE 3.34Å; D53-R55 IonicContact OD2-CZ 2.74Å; D53-R55 IonicContact OD2-NE 3.54Å; D53-R55 PolarHBondContact OD2-NE 2.98Å; D53-R55 IonicContact OD2-NH2 2.87Å; D53-R55 PolarHBondContact OD2-NH2 3.23Å; D53-A86 WeakPolarHBondContact O-CA 3.42Å; D53-A86 WeakPolarHBondContact O-CB 3.42Å; D53-A86 PolarHBondContact O-N 2.83Å | ||
| 54 | P | 90.1 | Very high | 89.3 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | trans | -64.9 | -10.7 | 178 | 25.9 | -35 | 0 | 0 | 0 | 115.6 | L56 | P54-L56 PolarHBondContact O-N 3.16Š| ||
| 55 | R | 89.1 | Confident | 89.3 | Confident | 190 Ų | 190 | 81.1 Ų | 81.1 | 72% | 0.717 | 42% | 0.419 | S | S | * | . | trans | -65.4 | 130.3 | -176.3 | -73.3 | -178.7 | -66.7 | 165.5 | 3.6 | 111.9 | D53 A86 | D53-R55 VanDerWaalsContact CG-NE 3.34Å; D53-R55 PolarHBondContact O-N 3.4Å; D53-R55 VanDerWaalsContact O-N 3.15Å; D53-R55 VanDerWaalsContact OD1-CB 3.3Å; D53-R55 WeakPolarHBondContact OD1-CB 3.31Å; D53-R55 WeakPolarHBondContact OD1-CG 3.44Å; D53-R55 PolarHBondContact OD1-N 3.34Å; D53-R55 IonicContact OD1-NE 2.59Å; D53-R55 PolarHBondContact OD1-NE 3.34Å; D53-R55 IonicContact OD2-CZ 2.74Å; D53-R55 IonicContact OD2-NE 3.54Å; D53-R55 PolarHBondContact OD2-NE 2.98Å; D53-R55 IonicContact OD2-NH2 2.87Å; D53-R55 PolarHBondContact OD2-NH2 3.23Å; R55-A86 WeakPolarHBondContact O-CB 3.43Å | ||
| 56 | L | 86.3 | Confident | 89.3 | Confident | 38 Ų | 38 | 78.4 Ų | 78.4 | 20% | 0.199 | 41% | 0.406 | C | S | . | . | trans | -110 | 139.9 | 171.1 | -65 | 174.9 | 0 | 0 | 0 | 109.5 | P54 H58 Q61 I66 E83 A86 | P54-L56 PolarHBondContact O-N 3.16Å; L56-H58 VanDerWaalsContact C-N 3.26Å; L56-H58 PolarHBondContact O-N 3.02Å; L56-Q61 VanDerWaalsContact CD1-O 3.26Å; L56-Q61 WeakPolarHBondContact CD1-O 3.35Å; L56-I66 HydrophobicContact CD1-CD1 4.14Å; L56-I66 HydrophobicContact CD2-CD1 3.74Å; L56-I66 HydrophobicContact CG-CD1 4.43Å; L56-E83 HydrophobicContact CD2-CB 4.14Å; L56-E83 HydrophobicContact CD2-CG 4.3Å; L56-A86 HydrophobicContact CD2-CB 3.37Å; L56-A86 HydrophobicContact CG-CB 4.2Å | ||
| 57 | D | 79.3 | Confident | 89.4 | Confident | 116 Ų | 116 | 74.4 Ų | 74.4 | 62% | 0.62 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -64.9 | -33.9 | 176.2 | -73.7 | -8.9 | 0 | 0 | 0 | 111.5 | ||
| 58 | H | 76.1 | Confident | 89.6 | Confident | 122 Ų | 122 | 73.9 Ų | 73.9 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -114.3 | 102.5 | 175.1 | -63.5 | -57.6 | 0 | 0 | 0 | 111.5 | L56 L60 Q61 | L56-H58 VanDerWaalsContact C-N 3.26Å; L56-H58 PolarHBondContact O-N 3.02Å; H58-L60 PolarHBondContact O-N 2.96Å; H58-Q61 PolarHBondContact O-N 3.44Å |
| 59 | T | 70.6 | Confident | 89.7 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 79% | 0.785 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -7.2 | -172.4 | 62.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 60 | L | 79.8 | Confident | 89.9 | Confident | 170 Ų | 170 | 72.2 Ų | 72.2 | 89% | 0.89 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -14.6 | -178.1 | -67.2 | 175.7 | 0 | 0 | 0 | 113.5 | H58 | H58-L60 PolarHBondContact O-N 2.96Š|
| 61 | Q | 86.3 | Confident | 90.1 | Very high | 63 Ų | 63 | 71.8 Ų | 71.8 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -101.6 | 144.9 | 179.5 | -65.7 | -177.8 | -55.9 | 0 | 0 | 110.7 | L56 H58 I66 | L56-Q61 VanDerWaalsContact CD1-O 3.26Å; L56-Q61 WeakPolarHBondContact CD1-O 3.35Å; H58-Q61 PolarHBondContact O-N 3.44Å; Q61-I66 HydrophobicContact CB-CD1 4.07Å; Q61-I66 HydrophobicContact CB-CG1 3.89Å |
| 62 | S | 93.5 | Very high | 90.2 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | trans | -74.5 | 152.6 | 167.4 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | W64 E65 I66 | S62-W64 PolarHBondContact O-N 3.01Å; S62-W64 VanDerWaalsContact O-N 3.11Å; S62-E65 WeakPolarHBondContact CB-OE2 3.38Å; S62-E65 PolarHBondContact N-OE2 2.87Å; S62-E65 PolarHBondContact O-N 3.03Å; S62-E65 VanDerWaalsContact O-N 3.17Å; S62-E65 VanDerWaalsContact OG-CD 3.25Å; S62-E65 VanDerWaalsContact OG-CG 3.26Å; S62-E65 WeakPolarHBondContact OG-CG 3.25Å; S62-E65 PolarHBondContact OG-N 3.32Å; S62-E65 PolarHBondContact OG-OE2 3.41Å; S62-I66 PolarHBondContact O-N 3.47Å | ||
| 63 | P | 95.9 | Very high | 90.1 | Very high | 20 Ų | 20 | 67.9 Ų | 67.9 | 13% | 0.13 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.2 | -24.9 | 174.2 | 23.3 | -32.6 | 0 | 0 | 0 | 112.5 | A67 V87 A90 | P63-A67 WeakPolarHBondContact O-CB 3.19Å; P63-A67 PolarHBondContact O-N 3.23Å; P63-A67 VanDerWaalsContact O-N 3.09Å; P63-V87 HydrophobicContact CB-CG2 4.03Å; P63-V87 WeakPolarHBondContact O-CG2 3.26Å; P63-A90 HydrophobicContact CB-CB 4.21Å; P63-A90 HydrophobicContact CG-CB 3.78Å |
| 64 | W | 96.6 | Very high | 90.1 | Very high | 15 Ų | 15 | 69.7 Ų | 69.7 | 6% | 0.057 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.6 | -43.2 | 178.4 | -46 | 146.7 | 0 | 0 | 0 | 112.1 | S62 A67 A68 V87 A90 M91 K94 L114 E115 Q118 L223 | S62-W64 PolarHBondContact O-N 3.01Å; S62-W64 VanDerWaalsContact O-N 3.11Å; W64-A67 PolarHBondContact O-N 2.8Å; W64-A68 VanDerWaalsContact O-CB 3.31Å; W64-A68 WeakPolarHBondContact O-CB 3.24Å; W64-A68 PolarHBondContact O-N 2.91Å; W64-V87 HydrophobicContact CZ3-CG1 4.46Å; W64-A90 HydrophobicContact CH2-CB 3.35Å; W64-A90 HydrophobicContact CZ2-CB 3.97Å; W64-A90 HydrophobicContact CZ3-CB 3.78Å; W64-M91 HydrophobicContact CH2-CG 4.27Å; W64-M91 HydrophobicContact CZ3-CG 3.94Å; W64-K94 HydrophobicContact CH2-CG 4.4Å; W64-K94 HydrophobicContact CZ2-CB 4.29Å; W64-K94 HydrophobicContact CZ2-CG 3.94Å; W64-L114 HydrophobicContact CH2-CD1 3.97Å; W64-L114 HydrophobicContact CZ2-CB 4.26Å; W64-L114 HydrophobicContact CZ2-CD1 4.2Å; W64-E115 PolarHBondContact NE1-O 2.89Å; W64-Q118 HydrophobicContact CB-CB 4.37Å; W64-Q118 HydrophobicContact CD2-CB 3.58Å; W64-Q118 HydrophobicContact CD2-CG 3.79Å; W64-Q118 HydrophobicContact CE3-CB 4.19Å; W64-Q118 HydrophobicContact CE3-CG 3.88Å; W64-Q118 HydrophobicContact CG-CB 3.66Å; W64-Q118 HydrophobicContact CG-CG 4.12Å; W64-Q118 HydrophobicContact CZ2-CB 4.16Å; W64-Q118 HydrophobicContact CZ3-CG 4.32Å; W64-L223 HydrophobicContact CE3-CD1 4.46Å; W64-L223 HydrophobicContact CZ3-CD1 4.46Å |
| 65 | E | 95.6 | Very high | 90.3 | Very high | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 176.4 | -73 | 160.1 | 145.6 | 0 | 0 | 111.3 | S62 A68 Q69 | S62-E65 WeakPolarHBondContact CB-OE2 3.38Å; S62-E65 PolarHBondContact N-OE2 2.87Å; S62-E65 PolarHBondContact O-N 3.03Å; S62-E65 VanDerWaalsContact O-N 3.17Å; S62-E65 VanDerWaalsContact OG-CD 3.25Å; S62-E65 VanDerWaalsContact OG-CG 3.26Å; S62-E65 WeakPolarHBondContact OG-CG 3.25Å; S62-E65 PolarHBondContact OG-N 3.32Å; S62-E65 PolarHBondContact OG-OE2 3.41Å; E65-A68 PolarHBondContact O-N 3.29Å; E65-Q69 VanDerWaalsContact O-CG 3.25Å; E65-Q69 WeakPolarHBondContact O-CG 3.24Å; E65-Q69 PolarHBondContact O-N 3.22Å |
| 66 | I | 95.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.5 | -52.3 | 176.1 | -66.5 | 166.5 | 0 | 0 | 0 | 110 | L56 Q61 S62 A68 Q69 W70 E83 | L56-I66 HydrophobicContact CD1-CD1 4.14Å; L56-I66 HydrophobicContact CD2-CD1 3.74Å; L56-I66 HydrophobicContact CG-CD1 4.43Å; Q61-I66 HydrophobicContact CB-CD1 4.07Å; Q61-I66 HydrophobicContact CB-CG1 3.89Å; S62-I66 PolarHBondContact O-N 3.47Å; I66-A68 VanDerWaalsContact C-N 3.27Å; I66-A68 PolarHBondContact O-N 3.13Å; I66-Q69 PolarHBondContact O-N 3.42Å; I66-Q69 VanDerWaalsContact O-N 3.16Å; I66-W70 HydrophobicContact CG2-CH2 4.24Å; I66-W70 HydrophobicContact CG2-CZ2 3.47Å; I66-W70 VanDerWaalsContact CG2-CZ2 3.47Å; I66-W70 PolarHBondContact O-N 3.45Å; I66-E83 HydrophobicContact CD1-CG 4.33Å; I66-E83 HydrophobicContact CG2-CB 4.08Å; I66-E83 HydrophobicContact CG2-CG 4.28Å |
| 67 | A | 96.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 5% | 0.05 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -33.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P63 W64 W70 V87 L223 | P63-A67 WeakPolarHBondContact O-CB 3.19Å; P63-A67 PolarHBondContact O-N 3.23Å; P63-A67 VanDerWaalsContact O-N 3.09Å; W64-A67 PolarHBondContact O-N 2.8Å; A67-W70 HydrophobicContact CB-CE3 4.09Å; A67-W70 HydrophobicContact CB-CZ3 4.12Å; A67-V87 HydrophobicContact CB-CG1 3.91Å; A67-V87 HydrophobicContact CB-CG2 4.22Å; A67-L223 HydrophobicContact CB-CD2 3.76Å |
| 68 | A | 96.8 | Very high | 91.9 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.8 | -35 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | W64 E65 I66 W70 V71 P226 | W64-A68 VanDerWaalsContact O-CB 3.31Å; W64-A68 WeakPolarHBondContact O-CB 3.24Å; W64-A68 PolarHBondContact O-N 2.91Å; E65-A68 PolarHBondContact O-N 3.29Å; I66-A68 VanDerWaalsContact C-N 3.27Å; I66-A68 PolarHBondContact O-N 3.13Å; A68-W70 VanDerWaalsContact C-N 3.27Å; A68-W70 PolarHBondContact O-N 3.03Å; A68-V71 PolarHBondContact O-N 3.06Å; A68-P226 HydrophobicContact CB-CB 4.22Å; A68-P226 HydrophobicContact CB-CG 3.64Å |
| 69 | Q | 95.4 | Very high | 92.6 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -71.3 | -21.1 | 178.7 | -73.8 | 170 | 8.6 | 0 | 0 | 113.3 | E65 I66 V71 | E65-Q69 VanDerWaalsContact O-CG 3.25Å; E65-Q69 WeakPolarHBondContact O-CG 3.24Å; E65-Q69 PolarHBondContact O-N 3.22Å; I66-Q69 PolarHBondContact O-N 3.42Å; I66-Q69 VanDerWaalsContact O-N 3.16Å; Q69-V71 VanDerWaalsContact C-N 3.33Å |
| 70 | W | 96.5 | Very high | 93.5 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 11% | 0.106 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -27 | 176.6 | -69.4 | -18.5 | 0 | 0 | 0 | 114.3 | I66 A67 A68 V72 P78 T81 E83 V87 L164 | I66-W70 HydrophobicContact CG2-CH2 4.24Å; I66-W70 HydrophobicContact CG2-CZ2 3.47Å; I66-W70 VanDerWaalsContact CG2-CZ2 3.47Å; I66-W70 PolarHBondContact O-N 3.45Å; A67-W70 HydrophobicContact CB-CE3 4.09Å; A67-W70 HydrophobicContact CB-CZ3 4.12Å; A68-W70 VanDerWaalsContact C-N 3.27Å; A68-W70 PolarHBondContact O-N 3.03Å; W70-V72 PolarHBondContact O-N 2.55Å; W70-P78 VanDerWaalsContact CG-CD 3.46Å; W70-P78 HydrophobicContact CG-CG 4.15Å; W70-T81 HydrophobicContact CZ2-CG2 4.48Å; W70-E83 HydrophobicContact CH2-CB 4.43Å; W70-E83 HydrophobicContact CZ2-CB 4.07Å; W70-V87 HydrophobicContact CH2-CB 4.48Å; W70-V87 HydrophobicContact CH2-CG2 3.72Å; W70-V87 HydrophobicContact CZ3-CG2 4.09Å; W70-L164 HydrophobicContact CZ3-CD2 4.06Å |
| 71 | V | 96 | Very high | 94 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | trans | -75.5 | 122.3 | -172.4 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | A68 Q69 V76 L225 P226 W229 F296 | A68-V71 PolarHBondContact O-N 3.06Å; Q69-V71 VanDerWaalsContact C-N 3.33Å; V71-V76 HydrophobicContact CG2-CG1 4.31Å; V71-V76 WeakPolarHBondContact CG2-O 3.41Å; V71-L225 HydrophobicContact CG2-CD2 4.4Å; V71-P226 HydrophobicContact CB-CG 4.38Å; V71-P226 HydrophobicContact CG2-CG 3.99Å; V71-W229 HydrophobicContact CG1-CB 4.47Å; V71-W229 HydrophobicContact CG1-CD2 4.31Å; V71-W229 HydrophobicContact CG1-CG 3.84Å; V71-W229 VanDerWaalsContact O-CE2 3.31Å; V71-W229 WeakPolarHBondContact O-CZ2 3.36Å; V71-W229 PolarHBondContact O-NE1 2.98Å; V71-F296 HydrophobicContact CG1-CE1 4.31Å; V71-F296 HydrophobicContact CG1-CE2 3.9Å; V71-F296 HydrophobicContact CG1-CZ 3.46Å; V71-F296 VanDerWaalsContact CG1-CZ 3.46Å | ||
| 72 | V | 93.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -137.2 | 171.5 | 176 | -59 | 0 | 0 | 0 | 0 | 109.7 | W70 R74 E75 | W70-V72 PolarHBondContact O-N 2.55Å; V72-R74 PolarHBondContact O-N 3.48Å; V72-E75 HydrophobicContact CG2-CG 3.41Å; V72-E75 VanDerWaalsContact CG2-CG 3.41Å; V72-E75 PolarHBondContact N-O 3.19Å; V72-E75 PolarHBondContact O-N 3.17Å |
| 73 | P | 90.9 | Very high | 94.3 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.1 | -170.7 | -29.4 | 37.4 | 0 | 0 | 0 | 116.3 | W229 M304 | P73-W229 HydrophobicContact CG-CH2 3.71Å; P73-W229 HydrophobicContact CG-CZ3 3.98Å; P73-M304 PolarHBondContact O-N 3.42Å; P73-M304 VanDerWaalsContact O-N 3.16Å |
| 74 | R | 92.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 27% | 0.272 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 2.8 | -174.2 | -63.7 | -56.4 | -53 | 176.9 | 3.5 | 115 | V72 D274 A302 | V72-R74 PolarHBondContact O-N 3.48Å; R74-D274 IonicContact CZ-OD1 3.16Å; R74-D274 IonicContact CZ-OD2 3.66Å; R74-D274 IonicContact NH1-OD1 3.74Å; R74-D274 IonicContact NH1-OD2 2.82Å; R74-D274 PolarHBondContact NH1-OD2 3.09Å; R74-D274 IonicContact NH2-OD1 3.38Å; R74-D274 PolarHBondContact NH2-OD1 3.31Å; R74-D274 IonicContact NH2-OD2 2.84Å; R74-D274 PolarHBondContact NH2-OD2 3.02Å; R74-A302 WeakPolarHBondContact CD-O 3.47Å; R74-A302 PolarHBondContact NH1-O 2.87Å |
| 75 | E | 93.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -159 | 142.5 | 172.7 | 57 | -174.3 | -163 | 0 | 0 | 111.7 | V72 R160 M304 | V72-E75 HydrophobicContact CG2-CG 3.41Å; V72-E75 VanDerWaalsContact CG2-CG 3.41Å; V72-E75 PolarHBondContact N-O 3.19Å; V72-E75 PolarHBondContact O-N 3.17Å; E75-R160 WeakPolarHBondContact CA-O 3.29Å; E75-R160 HydrophobicContact CB-CB 4.11Å; E75-R160 IonicContact OE2-CZ 2.84Å; E75-R160 VanDerWaalsContact OE2-CZ 3.25Å; E75-R160 IonicContact OE2-NE 3.53Å; E75-R160 PolarHBondContact OE2-NE 3.08Å; E75-R160 IonicContact OE2-NH2 3.59Å; E75-R160 PolarHBondContact OE2-NH2 3.29Å; E75-M304 VanDerWaalsContact C-CE 3.5Å; E75-M304 VanDerWaalsContact CA-CE 3.44Å |
| 76 | V | 97.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -82.2 | -28.9 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | V71 R160 L225 M304 | V71-V76 HydrophobicContact CG2-CG1 4.31Å; V71-V76 WeakPolarHBondContact CG2-O 3.41Å; V76-R160 PolarHBondContact N-O 3.41Å; V76-L225 HydrophobicContact CG1-CD2 3.82Å; V76-L225 HydrophobicContact CG2-CD2 4.48Å; V76-M304 HydrophobicContact CG2-CE 3.61Å |
| 77 | Y | 96.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -146.1 | 147.7 | 176 | 56.1 | -92.2 | 0 | 0 | 0 | 110.2 | T81 F151 D154 R155 R160 A162 L164 | Y77-T81 HydrophobicContact CD2-CG2 4.31Å; Y77-F151 HydrophobicContact CD1-CE2 4.48Å; Y77-F151 HydrophobicContact CE1-CD2 4.44Å; Y77-F151 AromaticContact CE1-CE2 3.88Å; Y77-F151 HydrophobicContact CE1-CE2 3.88Å; Y77-D154 PolarHBondContact OH-OD2 3.14Å; Y77-R155 HydrophobicContact CE2-CG 3.76Å; Y77-R155 WeakPolarHBondContact OH-CA 3.41Å; Y77-R155 WeakPolarHBondContact OH-CG 3.25Å; Y77-R155 PolarHBondContact OH-N 3.47Å; Y77-R160 HydrophobicContact CD2-CB 4.19Å; Y77-R160 HydrophobicContact CD2-CG 4.12Å; Y77-R160 HydrophobicContact CE1-CB 4.29Å; Y77-R160 HydrophobicContact CE2-CB 3.8Å; Y77-R160 HydrophobicContact CE2-CG 3.54Å; Y77-R160 WeakPolarHBondContact O-CB 3.35Å; Y77-R160 WeakPolarHBondContact O-CD 3.46Å; Y77-R160 PolarHBondContact O-NE 3.41Å; Y77-R160 WeakPolarHBondContact OH-CA 3.47Å; Y77-A162 WeakPolarHBondContact CE1-O 3.22Å; Y77-L164 HydrophobicContact CD1-CD1 3.88Å; Y77-L164 HydrophobicContact CG-CD1 4.41Å |
| 78 | P | 94.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 38 Ų | 38 | 20% | 0.195 | 20% | 0.203 | C | C | . | . | trans | -69.8 | 167.2 | -179.2 | 23.6 | -30.1 | 0 | 0 | 0 | 112.6 | W70 E80 T81 | W70-P78 VanDerWaalsContact CG-CD 3.46Å; W70-P78 HydrophobicContact CG-CG 4.15Å; P78-E80 VanDerWaalsContact C-N 3.34Å; P78-E80 WeakPolarHBondContact CG-O 3.49Å; P78-T81 HydrophobicContact CB-CG2 4.45Å; P78-T81 HydrophobicContact CG-CG2 3.62Å; P78-T81 WeakPolarHBondContact O-CG2 2.94Å | ||
| 79 | E | 89.9 | Confident | 94.6 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 29% | 0.285 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -62.6 | -42.9 | 173.8 | -173 | -176.6 | 165.1 | 0 | 0 | 111.5 | A40 R43 | A40-E79 WeakPolarHBondContact CA-OE1 3.38Å; A40-E79 VanDerWaalsContact CB-OE1 3.3Å; A40-E79 WeakPolarHBondContact CB-OE1 3.39Å; R43-E79 IonicContact CZ-OE1 3.8Å; R43-E79 IonicContact CZ-OE2 2.72Å; R43-E79 IonicContact NE-OE1 2.84Å; R43-E79 PolarHBondContact NE-OE1 3.25Å; R43-E79 IonicContact NH2-OE1 2.68Å; R43-E79 PolarHBondContact NH2-OE1 3.18Å; R43-E79 IonicContact NH2-OE2 3.13Å; R43-E79 PolarHBondContact NH2-OE2 2.87Å |
| 80 | E | 90.3 | Very high | 94.7 | Very high | 125 Ų | 125 | 32.7 Ų | 32.7 | 58% | 0.584 | 17% | 0.173 | S | C | * | . | trans | -97.4 | 110.5 | 176.2 | -66.2 | -178.3 | -171.5 | 0 | 0 | 109.1 | R43 P78 | R43-E80 IonicContact CZ-OE1 3.53Å; R43-E80 IonicContact NH1-OE1 3.13Å; R43-E80 PolarHBondContact NH1-OE1 3.43Å; P78-E80 VanDerWaalsContact C-N 3.34Å; P78-E80 WeakPolarHBondContact CG-O 3.49Å | ||
| 81 | T | 90.5 | Very high | 94.8 | Very high | 21 Ų | 21 | 31.4 Ų | 31.4 | 13% | 0.129 | 17% | 0.168 | C | C | . | . | trans | -130.6 | 69.7 | -173 | 39.7 | 0 | 0 | 0 | 0 | 111.1 | W70 Y77 P78 E83 L84 | W70-T81 HydrophobicContact CZ2-CG2 4.48Å; Y77-T81 HydrophobicContact CD2-CG2 4.31Å; P78-T81 HydrophobicContact CB-CG2 4.45Å; P78-T81 HydrophobicContact CG-CG2 3.62Å; P78-T81 WeakPolarHBondContact O-CG2 2.94Å; T81-E83 PolarHBondContact O-N 2.89Å; T81-L84 VanDerWaalsContact O-CB 3.29Å; T81-L84 WeakPolarHBondContact O-CB 3.49Å; T81-L84 PolarHBondContact O-N 3.09Å; T81-L84 VanDerWaalsContact O-N 3.14Å | ||
| 82 | P | 90.8 | Very high | 94.9 | Very high | 91 Ų | 91 | 31.8 Ų | 31.8 | 59% | 0.591 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -32.1 | -175.7 | 19.2 | -25.3 | 0 | 0 | 0 | 113 | L84 | P82-L84 VanDerWaalsContact C-N 3.34Å; P82-L84 PolarHBondContact O-N 3.03Å |
| 83 | E | 94.7 | Very high | 95.1 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 12% | 0.121 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 3.6 | -178.7 | -49.9 | 83.3 | 172.7 | 0 | 0 | 113.8 | L56 I66 W70 T81 G85 A86 V87 | L56-E83 HydrophobicContact CD2-CB 4.14Å; L56-E83 HydrophobicContact CD2-CG 4.3Å; I66-E83 HydrophobicContact CD1-CG 4.33Å; I66-E83 HydrophobicContact CG2-CB 4.08Å; I66-E83 HydrophobicContact CG2-CG 4.28Å; W70-E83 HydrophobicContact CH2-CB 4.43Å; W70-E83 HydrophobicContact CZ2-CB 4.07Å; T81-E83 PolarHBondContact O-N 2.89Å; E83-G85 PolarHBondContact O-N 3.08Å; E83-A86 PolarHBondContact O-N 2.96Å; E83-V87 WeakPolarHBondContact O-CG2 3.33Å; E83-V87 PolarHBondContact O-N 3.28Å |
| 84 | L | 95.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.2 | -40.5 | -179.8 | -179.1 | 57 | 0 | 0 | 0 | 112.1 | V50 T81 P82 A86 V87 M88 F151 L164 | V50-L84 HydrophobicContact CG1-CB 4.4Å; V50-L84 HydrophobicContact CG1-CG 4.11Å; V50-L84 HydrophobicContact CG2-CD2 3.82Å; V50-L84 HydrophobicContact CG2-CG 4.34Å; T81-L84 VanDerWaalsContact O-CB 3.29Å; T81-L84 WeakPolarHBondContact O-CB 3.49Å; T81-L84 PolarHBondContact O-N 3.09Å; T81-L84 VanDerWaalsContact O-N 3.14Å; P82-L84 VanDerWaalsContact C-N 3.34Å; P82-L84 PolarHBondContact O-N 3.03Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 3.41Å; L84-V87 PolarHBondContact O-N 3.46Å; L84-M88 HydrophobicContact CD1-CG 3.98Å; L84-M88 HydrophobicContact CD1-SD 3.89Å; L84-M88 HydrophobicContact CG-CG 4.42Å; L84-M88 HydrophobicContact CG-SD 3.94Å; L84-M88 WeakPolarHBondContact O-CB 3.1Å; L84-M88 WeakPolarHBondContact O-CG 3.46Å; L84-M88 PolarHBondContact O-N 3.15Å; L84-F151 HydrophobicContact CD1-CZ 4.26Å; L84-L164 HydrophobicContact CD1-CD2 3.5Å; L84-L164 HydrophobicContact CD1-CG 3.89Å |
| 85 | G | 96.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | E51 E83 H89 | E51-G85 WeakPolarHBondContact O-CA 3.36Å; E83-G85 PolarHBondContact O-N 3.08Å; G85-H89 WeakPolarHBondContact O-CB 3.48Å; G85-H89 PolarHBondContact O-N 3.42Å |
| 86 | A | 97 | Very high | 96 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 5% | 0.05 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.6 | -39.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D53 R55 L56 E83 L84 A90 | D53-A86 WeakPolarHBondContact O-CA 3.42Å; D53-A86 WeakPolarHBondContact O-CB 3.42Å; D53-A86 PolarHBondContact O-N 2.83Å; R55-A86 WeakPolarHBondContact O-CB 3.43Å; L56-A86 HydrophobicContact CD2-CB 3.37Å; L56-A86 HydrophobicContact CG-CB 4.2Å; E83-A86 PolarHBondContact O-N 2.96Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 3.41Å; A86-A90 WeakPolarHBondContact O-CB 3.45Å; A86-A90 PolarHBondContact O-N 2.89Å |
| 87 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -48.6 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | P63 W64 A67 W70 E83 L84 H89 A90 M91 L164 L223 | P63-V87 HydrophobicContact CB-CG2 4.03Å; P63-V87 WeakPolarHBondContact O-CG2 3.26Å; W64-V87 HydrophobicContact CZ3-CG1 4.46Å; A67-V87 HydrophobicContact CB-CG1 3.91Å; A67-V87 HydrophobicContact CB-CG2 4.22Å; W70-V87 HydrophobicContact CH2-CB 4.48Å; W70-V87 HydrophobicContact CH2-CG2 3.72Å; W70-V87 HydrophobicContact CZ3-CG2 4.09Å; E83-V87 WeakPolarHBondContact O-CG2 3.33Å; E83-V87 PolarHBondContact O-N 3.28Å; L84-V87 PolarHBondContact O-N 3.46Å; V87-H89 PolarHBondContact O-N 2.91Å; V87-A90 PolarHBondContact O-N 3.18Å; V87-M91 HydrophobicContact CG1-SD 4.25Å; V87-M91 WeakPolarHBondContact O-CG 3.19Å; V87-M91 PolarHBondContact O-N 3.23Å; V87-L164 HydrophobicContact CB-CD2 4.18Å; V87-L164 HydrophobicContact CG1-CD2 3.62Å; V87-L223 HydrophobicContact CG1-CD2 4.32Å |
| 88 | M | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 178.1 | -69.7 | -178.4 | 70.9 | 0 | 0 | 112 | V50 L52 L84 A90 M91 S92 F151 L164 V166 | V50-M88 HydrophobicContact CG1-SD 4.3Å; L52-M88 HydrophobicContact CD2-CB 3.4Å; L52-M88 HydrophobicContact CD2-CE 4.5Å; L84-M88 HydrophobicContact CD1-CG 3.98Å; L84-M88 HydrophobicContact CD1-SD 3.89Å; L84-M88 HydrophobicContact CG-CG 4.42Å; L84-M88 HydrophobicContact CG-SD 3.94Å; L84-M88 WeakPolarHBondContact O-CB 3.1Å; L84-M88 WeakPolarHBondContact O-CG 3.46Å; L84-M88 PolarHBondContact O-N 3.15Å; M88-A90 VanDerWaalsContact C-N 3.35Å; M88-A90 PolarHBondContact O-N 2.94Å; M88-M91 PolarHBondContact O-N 3.29Å; M88-S92 PolarHBondContact O-N 3.27Å; M88-S92 PolarHBondContact O-OG 3.06Å; M88-F151 HydrophobicContact CE-CE1 3.94Å; M88-F151 HydrophobicContact SD-CE1 3.93Å; M88-F151 HydrophobicContact SD-CZ 4.35Å; M88-L164 HydrophobicContact CG-CD2 4.49Å; M88-V166 HydrophobicContact CB-CG2 4.48Å; M88-V166 HydrophobicContact CE-CB 4.05Å; M88-V166 HydrophobicContact CE-CG2 3.99Å |
| 89 | H | 98.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 22% | 0.218 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 172.6 | 175.3 | -92.4 | 0 | 0 | 0 | 110.7 | L52 G85 V87 M91 S92 T93 | L52-H89 HydrophobicContact CB-CB 4.05Å; L52-H89 PolarHBondContact O-CD2 3.31Å; L52-H89 VanDerWaalsContact O-CD2 3.26Å; G85-H89 WeakPolarHBondContact O-CB 3.48Å; G85-H89 PolarHBondContact O-N 3.42Å; V87-H89 PolarHBondContact O-N 2.91Å; H89-M91 PolarHBondContact O-N 3.48Å; H89-S92 PolarHBondContact O-N 3.49Å; H89-S92 PolarHBondContact O-OG 2.93Å; H89-T93 PolarHBondContact CE1-OG1 3.38Å; H89-T93 PolarHBondContact O-N 2.84Å; H89-T93 PolarHBondContact O-OG1 3.44Å |
| 90 | A | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P63 W64 A86 V87 M88 S92 T93 K94 | P63-A90 HydrophobicContact CB-CB 4.21Å; P63-A90 HydrophobicContact CG-CB 3.78Å; W64-A90 HydrophobicContact CH2-CB 3.35Å; W64-A90 HydrophobicContact CZ2-CB 3.97Å; W64-A90 HydrophobicContact CZ3-CB 3.78Å; A86-A90 WeakPolarHBondContact O-CB 3.45Å; A86-A90 PolarHBondContact O-N 2.89Å; V87-A90 PolarHBondContact O-N 3.18Å; M88-A90 VanDerWaalsContact C-N 3.35Å; M88-A90 PolarHBondContact O-N 2.94Å; A90-S92 VanDerWaalsContact C-N 3.3Å; A90-S92 PolarHBondContact O-N 2.99Å; A90-T93 PolarHBondContact O-N 3.29Å; A90-K94 HydrophobicContact CB-CG 3.98Å; A90-K94 WeakPolarHBondContact O-CB 3.04Å; A90-K94 VanDerWaalsContact O-CG 3.22Å; A90-K94 WeakPolarHBondContact O-CG 3.26Å; A90-K94 PolarHBondContact O-N 3.21Å |
| 91 | M | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 175.7 | -70 | 170.1 | 65.8 | 0 | 0 | 112.2 | W64 V87 M88 H89 L164 V166 R168 V221 L223 | W64-M91 HydrophobicContact CH2-CG 4.27Å; W64-M91 HydrophobicContact CZ3-CG 3.94Å; V87-M91 HydrophobicContact CG1-SD 4.25Å; V87-M91 WeakPolarHBondContact O-CG 3.19Å; V87-M91 PolarHBondContact O-N 3.23Å; M88-M91 PolarHBondContact O-N 3.29Å; H89-M91 PolarHBondContact O-N 3.48Å; M91-L164 HydrophobicContact CE-CB 4.33Å; M91-L164 WeakPolarHBondContact CE-O 3.3Å; M91-L164 HydrophobicContact SD-CB 4.04Å; M91-V166 HydrophobicContact CB-CG1 3.58Å; M91-V166 HydrophobicContact CE-CG1 4.18Å; M91-R168 PolarHBondContact O-NH1 2.82Å; M91-V221 HydrophobicContact CB-CG1 4.34Å; M91-V221 HydrophobicContact CE-CG1 4.08Å; M91-V221 WeakPolarHBondContact CE-O 3.48Å; M91-L223 HydrophobicContact CE-CB 3.78Å; M91-L223 HydrophobicContact CG-CD1 4.26Å; M91-L223 HydrophobicContact SD-CB 4Å; M91-L223 HydrophobicContact SD-CD1 4.21Å; M91-L223 HydrophobicContact SD-CG 4.48Å |
| 92 | S | 98.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 12% | 0.119 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -76.1 | -27.3 | -178.6 | 70.4 | 0 | 0 | 0 | 0 | 114.1 | M88 H89 A90 R168 | M88-S92 PolarHBondContact O-N 3.27Å; M88-S92 PolarHBondContact O-OG 3.06Å; H89-S92 PolarHBondContact O-N 3.49Å; H89-S92 PolarHBondContact O-OG 2.93Å; A90-S92 VanDerWaalsContact C-N 3.3Å; A90-S92 PolarHBondContact O-N 2.99Å; S92-R168 VanDerWaalsContact O-CD 3.32Å; S92-R168 WeakPolarHBondContact O-CD 3.34Å; S92-R168 WeakPolarHBondContact O-CG 3.39Å; S92-R168 PolarHBondContact O-NE 3.39Å |
| 93 | T | 97.9 | Very high | 94.7 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 45% | 0.454 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -118.9 | -24.6 | -169.2 | 59.9 | 0 | 0 | 0 | 0 | 115.6 | H89 A90 K95 | H89-T93 PolarHBondContact CE1-OG1 3.38Å; H89-T93 PolarHBondContact O-N 2.84Å; H89-T93 PolarHBondContact O-OG1 3.44Å; A90-T93 PolarHBondContact O-N 3.29Å; T93-K95 PolarHBondContact O-N 2.82Å |
| 94 | K | 98.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 45.2 Ų | 45.2 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -62.4 | 140.6 | -175.7 | -76.5 | -68.9 | -163.1 | 174.9 | 0 | 111.3 | W64 A90 I96 L114 E115 R168 | W64-K94 HydrophobicContact CH2-CG 4.4Å; W64-K94 HydrophobicContact CZ2-CB 4.29Å; W64-K94 HydrophobicContact CZ2-CG 3.94Å; A90-K94 HydrophobicContact CB-CG 3.98Å; A90-K94 WeakPolarHBondContact O-CB 3.04Å; A90-K94 VanDerWaalsContact O-CG 3.22Å; A90-K94 WeakPolarHBondContact O-CG 3.26Å; A90-K94 PolarHBondContact O-N 3.21Å; K94-I96 PolarHBondContact O-N 3.41Å; K94-L114 HydrophobicContact CB-CB 4.21Å; K94-L114 HydrophobicContact CB-CD1 4.45Å; K94-E115 HydrophobicContact CD-CB 4.42Å; K94-E115 WeakPolarHBondContact CD-OE2 3.48Å; K94-E115 IonicContact NZ-OE2 3.88Å; K94-E115 PolarHBondContact NZ-OE2 2.83Å; K94-R168 PolarHBondContact O-NH1 3.47Å; K94-R168 PolarHBondContact O-NH2 3.26Å |
| 95 | K | 98.6 | Very high | 92.7 | Very high | 139 Ų | 139 | 47 Ų | 47 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -57 | 135.3 | -179.5 | -179.3 | 178.3 | 178.2 | -177.9 | 0 | 110.3 | T93 I97 L114 E115 | T93-K95 PolarHBondContact O-N 2.82Å; K95-I97 HydrophobicContact CG-CG2 4.34Å; K95-L114 CarbonylContact O-C 3.51Å; K95-L114 WeakPolarHBondContact O-CA 3.43Å; K95-E115 HydrophobicContact CB-CB 4.4Å; K95-E115 PolarHBondContact O-N 3.4Å |
| 96 | I | 98.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.1 | 170.8 | -59.6 | 159.7 | 0 | 0 | 0 | 107.5 | K94 K98 L112 L114 V170 E175 I176 V179 | K94-I96 PolarHBondContact O-N 3.41Å; I96-K98 WeakPolarHBondContact CG2-O 3.24Å; I96-L112 HydrophobicContact CD1-CD1 3.86Å; I96-L112 HydrophobicContact CG1-CD1 4.25Å; I96-L112 HydrophobicContact CG2-CB 4.21Å; I96-L112 HydrophobicContact CG2-CD2 4.2Å; I96-L114 HydrophobicContact CG1-CD2 3.79Å; I96-V170 HydrophobicContact CD1-CG1 3.78Å; I96-V170 HydrophobicContact CD1-CG2 4.25Å; I96-E175 HydrophobicContact CD1-CB 4.35Å; I96-I176 HydrophobicContact CD1-CD1 3.76Å; I96-I176 HydrophobicContact CG2-CD1 4.29Å; I96-V179 HydrophobicContact CG2-CG2 4.03Å |
| 97 | I | 98.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 41% | 0.405 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -15.8 | -176.8 | 61.7 | 166.4 | 0 | 0 | 0 | 113 | K95 I113 E115 | K95-I97 HydrophobicContact CG-CG2 4.34Å; I97-I113 HydrophobicContact CD1-CG2 4Å; I97-I113 HydrophobicContact CG1-CB 4.18Å; I97-I113 HydrophobicContact CG1-CG2 3.93Å; I97-I113 VanDerWaalsContact CG1-O 3.25Å; I97-I113 WeakPolarHBondContact CG1-O 3.45Å; I97-I113 PolarHBondContact N-O 3.02Å; I97-E115 HydrophobicContact CG2-CB 4.37Å |
| 98 | K | 98.6 | Very high | 91.9 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 143 | 171.4 | -166.1 | 179.4 | 178.7 | -178.8 | 0 | 109.9 | I96 L112 I113 V179 | I96-K98 WeakPolarHBondContact CG2-O 3.24Å; K98-L112 CarbonylContact O-C 3.57Å; K98-L112 WeakPolarHBondContact O-CA 3.33Å; K98-I113 HydrophobicContact CB-CB 3.96Å; K98-I113 HydrophobicContact CB-CD1 4.07Å; K98-I113 HydrophobicContact CB-CG1 4.06Å; K98-I113 HydrophobicContact CD-CD1 3.83Å; K98-I113 HydrophobicContact CG-CD1 4.49Å; K98-I113 PolarHBondContact N-O 2.82Å; K98-I113 PolarHBondContact O-N 3.44Å; K98-V179 CarbonylContact C-O 3.6Å; K98-V179 WeakPolarHBondContact CA-O 3.4Å |
| 99 | A | 98.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L111 L112 I176 V179 A180 T181 L184 | A99-L111 CarbonylContact C-O 3.56Å; A99-L111 WeakPolarHBondContact CA-O 3.41Å; A99-L112 HydrophobicContact CB-CD2 3.61Å; A99-I176 HydrophobicContact CB-CD1 4.27Å; A99-I176 HydrophobicContact CB-CG2 3.96Å; A99-V179 HydrophobicContact CB-CG2 4.29Å; A99-V179 PolarHBondContact N-O 2.92Å; A99-A180 HydrophobicContact CB-CB 4.29Å; A99-A180 CarbonylContact O-C 3.56Å; A99-A180 VanDerWaalsContact O-CA 3.25Å; A99-A180 WeakPolarHBondContact O-CA 3.33Å; A99-T181 PolarHBondContact O-N 3.42Å; A99-L184 HydrophobicContact CB-CD2 3.8Å |
| 100 | D | 97.3 | Very high | 91.8 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 167.2 | 177.8 | -156.7 | -2.8 | 0 | 0 | 0 | 110.3 | A110 L111 T181 | D100-A110 CarbonylContact O-C 3.59Å; D100-A110 WeakPolarHBondContact O-CA 3.38Å; D100-L111 PolarHBondContact N-O 3.49Å; D100-L111 PolarHBondContact O-N 3.34Å; D100-T181 HydrophobicContact CB-CG2 3.84Å; D100-T181 WeakPolarHBondContact OD1-CG2 3.33Å; D100-T181 PolarHBondContact OD1-OG1 3.4Å |
| 101 | V | 91.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 146.9 | 168 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | Q183 L184 K200 | V101-Q183 HydrophobicContact CG1-CG 4.17Å; V101-Q183 VanDerWaalsContact CG2-CD 3.43Å; V101-Q183 HydrophobicContact CG2-CG 3.75Å; V101-L184 HydrophobicContact CG1-CB 4.02Å; V101-L184 HydrophobicContact CG1-CD1 3.93Å; V101-K200 HydrophobicContact CB-CB 4.39Å; V101-K200 HydrophobicContact CG1-CB 4.17Å; V101-K200 HydrophobicContact CG1-CG 4.3Å; V101-K200 HydrophobicContact CG2-CB 4.42Å |
| 102 | G | 76.2 | Confident | 91.7 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | trans | -58.5 | 140.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K104 K109 | G102-K104 PolarHBondContact O-N 3.47Å; G102-K109 PolarHBondContact N-O 3.01Å; G102-K109 VanDerWaalsContact N-O 3.09Å | ||
| 103 | Y | 62 | Low | 91.8 | Very high | 178 Ų | 178 | 53.8 Ų | 53.8 | 70% | 0.698 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -75 | 110.5 | 174.8 | -176.2 | -98 | 0 | 0 | 0 | 110.4 | ||
| 104 | K | 69.3 | Low | 91.8 | Very high | 151 Ų | 151 | 50.2 Ų | 50.2 | 66% | 0.657 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 59 | 164.2 | 177.1 | -59.4 | 178.9 | 176.9 | 163.1 | 0 | 113.3 | G102 K109 | G102-K104 PolarHBondContact O-N 3.47Å; K104-K109 WeakPolarHBondContact O-CE 3.45Å |
| 105 | G | 79.1 | Confident | 91.8 | Very high | 40 Ų | 40 | 51 Ų | 51 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | trans | 120.5 | 169 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y202 | G105-Y202 PolarHBondContact O-N 2.87Å; G105-Y202 VanDerWaalsContact O-N 3.14Å | ||
| 106 | T | 86.1 | Confident | 91.7 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -91.6 | -30.1 | -172.3 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | C201 Y203 | T106-C201 PolarHBondContact O-SG 3.42Å; T106-Y203 HydrophobicContact CG2-CD2 4.43Å; T106-Y203 HydrophobicContact CG2-CE2 3.99Å; T106-Y203 WeakPolarHBondContact O-CB 3.45Å; T106-Y203 VanDerWaalsContact O-CD2 3.23Å; T106-Y203 WeakPolarHBondContact O-CD2 3.27Å; T106-Y203 PolarHBondContact O-N 2.9Å; T106-Y203 VanDerWaalsContact O-N 3.14Å |
| 107 | Q | 93.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -112.3 | 160.1 | -171 | -62.8 | -68 | -29.8 | 0 | 0 | 112.8 | K109 D142 C201 | Q107-K109 PolarHBondContact O-N 3.49Å; Q107-D142 HydrophobicContact CB-CB 4.28Å; Q107-D142 WeakPolarHBondContact CG-OD1 3.37Å; Q107-C201 WeakPolarHBondContact O-CB 3.41Å |
| 108 | L | 95.2 | Very high | 91.5 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | trans | -68.7 | 123 | -179 | 177.3 | 57.4 | 0 | 0 | 0 | 111.4 | P124 F197 Y198 A210 | L108-P124 HydrophobicContact CD2-CG 3.91Å; L108-P124 HydrophobicContact CG-CG 4.04Å; L108-F197 HydrophobicContact CD1-CD2 4.07Å; L108-F197 HydrophobicContact CD1-CE2 3.67Å; L108-F197 HydrophobicContact CD2-CE2 4.28Å; L108-F197 HydrophobicContact CG-CE2 4.2Å; L108-Y198 WeakPolarHBondContact CD1-O 3.34Å; L108-A210 HydrophobicContact CD2-CB 3.62Å | ||
| 109 | K | 96.1 | Very high | 91.5 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | trans | -153.7 | 153.8 | 171.9 | 61.6 | -171.1 | 176.5 | -177.1 | 0 | 110.7 | G102 K104 Q107 V121 F122 K123 | G102-K109 PolarHBondContact N-O 3.01Å; G102-K109 VanDerWaalsContact N-O 3.09Å; K104-K109 WeakPolarHBondContact O-CE 3.45Å; Q107-K109 PolarHBondContact O-N 3.49Å; K109-V121 HydrophobicContact CB-CG1 4.02Å; K109-V121 HydrophobicContact CD-CG1 4.04Å; K109-V121 HydrophobicContact CG-CG1 4.44Å; K109-F122 WeakPolarHBondContact CA-O 3.22Å; K109-K123 HydrophobicContact CB-CG 4.25Å | ||
| 110 | A | 96.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 145.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D100 L112 F122 | D100-A110 CarbonylContact O-C 3.59Å; D100-A110 WeakPolarHBondContact O-CA 3.38Å; A110-L112 HydrophobicContact CB-CD2 4.21Å; A110-F122 HydrophobicContact CB-CB 4.36Å; A110-F122 HydrophobicContact CB-CD1 4.48Å; A110-F122 PolarHBondContact N-O 3.04Å; A110-F122 PolarHBondContact O-N 2.87Å |
| 111 | L | 97.9 | Very high | 91.5 | Very high | 44 Ų | 44 | 45 Ų | 45 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.5 | 166.1 | 175.2 | 65.6 | 0 | 0 | 0 | 107.6 | A99 D100 K119 W224 | A99-L111 CarbonylContact C-O 3.56Å; A99-L111 WeakPolarHBondContact CA-O 3.41Å; D100-L111 PolarHBondContact N-O 3.49Å; D100-L111 PolarHBondContact O-N 3.34Å; L111-K119 HydrophobicContact CD1-CB 4.27Å; L111-W224 HydrophobicContact CD1-CE3 4.29Å; L111-W224 HydrophobicContact CD1-CZ3 4.31Å |
| 112 | L | 98.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 149.7 | 174.8 | -49.6 | 179.7 | 0 | 0 | 0 | 109.8 | I96 K98 A99 A110 K119 V120 F122 I176 | I96-L112 HydrophobicContact CD1-CD1 3.86Å; I96-L112 HydrophobicContact CG1-CD1 4.25Å; I96-L112 HydrophobicContact CG2-CB 4.21Å; I96-L112 HydrophobicContact CG2-CD2 4.2Å; K98-L112 CarbonylContact O-C 3.57Å; K98-L112 WeakPolarHBondContact O-CA 3.33Å; A99-L112 HydrophobicContact CB-CD2 3.61Å; A110-L112 HydrophobicContact CB-CD2 4.21Å; L112-K119 WeakPolarHBondContact O-CA 3.45Å; L112-V120 HydrophobicContact CB-CG2 3.72Å; L112-V120 HydrophobicContact CD1-CG2 4.47Å; L112-V120 HydrophobicContact CG-CG2 4.49Å; L112-V120 PolarHBondContact N-O 2.89Å; L112-V120 PolarHBondContact O-N 2.85Å; L112-F122 HydrophobicContact CD1-CB 3.57Å; L112-F122 HydrophobicContact CD1-CD2 4.4Å; L112-F122 HydrophobicContact CD1-CG 4.06Å; L112-F122 HydrophobicContact CG-CB 3.89Å; L112-I176 HydrophobicContact CD1-CD1 4.36Å; L112-I176 HydrophobicContact CD2-CD1 3.72Å |
| 113 | I | 98.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 20% | 0.195 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.7 | 166.6 | -53.9 | -175.3 | 0 | 0 | 0 | 107.3 | I97 K98 Q118 | I97-I113 HydrophobicContact CD1-CG2 4Å; I97-I113 HydrophobicContact CG1-CB 4.18Å; I97-I113 HydrophobicContact CG1-CG2 3.93Å; I97-I113 VanDerWaalsContact CG1-O 3.25Å; I97-I113 WeakPolarHBondContact CG1-O 3.45Å; I97-I113 PolarHBondContact N-O 3.02Å; K98-I113 HydrophobicContact CB-CB 3.96Å; K98-I113 HydrophobicContact CB-CD1 4.07Å; K98-I113 HydrophobicContact CB-CG1 4.06Å; K98-I113 HydrophobicContact CD-CD1 3.83Å; K98-I113 HydrophobicContact CG-CD1 4.49Å; K98-I113 PolarHBondContact N-O 2.82Å; K98-I113 PolarHBondContact O-N 3.44Å; I113-Q118 WeakPolarHBondContact CA-O 3.43Å |
| 114 | L | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 158.1 | 175.5 | -55.2 | -175.2 | 0 | 0 | 0 | 110.4 | W64 K94 K95 I96 G116 G117 Q118 V120 | W64-L114 HydrophobicContact CH2-CD1 3.97Å; W64-L114 HydrophobicContact CZ2-CB 4.26Å; W64-L114 HydrophobicContact CZ2-CD1 4.2Å; K94-L114 HydrophobicContact CB-CB 4.21Å; K94-L114 HydrophobicContact CB-CD1 4.45Å; K95-L114 CarbonylContact O-C 3.51Å; K95-L114 WeakPolarHBondContact O-CA 3.43Å; I96-L114 HydrophobicContact CG1-CD2 3.79Å; L114-G116 PolarHBondContact O-N 2.9Å; L114-G117 PolarHBondContact O-N 3.27Å; L114-Q118 PolarHBondContact N-O 3.32Å; L114-V120 HydrophobicContact CD1-CG1 3.86Å; L114-V120 HydrophobicContact CD1-CG2 4.28Å; L114-V120 HydrophobicContact CD2-CG2 4.18Å; L114-V120 HydrophobicContact CG-CG1 4.19Å; L114-V120 HydrophobicContact CG-CG2 4.02Å |
| 115 | E | 98.1 | Very high | 96.1 | Very high | 89 Ų | 89 | 32.1 Ų | 32.1 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 133.8 | 169.9 | -177.7 | -173.7 | -113.7 | 0 | 0 | 110.8 | W64 K94 K95 I97 | W64-E115 PolarHBondContact NE1-O 2.89Å; K94-E115 HydrophobicContact CD-CB 4.42Å; K94-E115 WeakPolarHBondContact CD-OE2 3.48Å; K94-E115 IonicContact NZ-OE2 3.88Å; K94-E115 PolarHBondContact NZ-OE2 2.83Å; K95-E115 HydrophobicContact CB-CB 4.4Å; K95-E115 PolarHBondContact O-N 3.4Å; I97-E115 HydrophobicContact CG2-CB 4.37Å |
| 116 | G | 95.5 | Very high | 97 | Very high | 66 Ų | 66 | 32.2 Ų | 32.2 | 68% | 0.68 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91 | 2.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L114 Q118 | L114-G116 PolarHBondContact O-N 2.9Å; G116-Q118 VanDerWaalsContact C-N 3.32Å; G116-Q118 PolarHBondContact O-N 3.2Å |
| 117 | G | 97.1 | Very high | 97.5 | Very high | 48 Ų | 48 | 31.1 Ų | 31.1 | 50% | 0.495 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 83.1 | 2.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L114 K119 | L114-G117 PolarHBondContact O-N 3.27Å; G117-K119 PolarHBondContact O-N 3.47Å |
| 118 | Q | 98.1 | Very high | 97.7 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | trans | -69 | 125.5 | -178.6 | -178.5 | 58 | 52.1 | 0 | 0 | 111.5 | W64 I113 L114 G116 V120 L223 W224 | W64-Q118 HydrophobicContact CB-CB 4.37Å; W64-Q118 HydrophobicContact CD2-CB 3.58Å; W64-Q118 HydrophobicContact CD2-CG 3.79Å; W64-Q118 HydrophobicContact CE3-CB 4.19Å; W64-Q118 HydrophobicContact CE3-CG 3.88Å; W64-Q118 HydrophobicContact CG-CB 3.66Å; W64-Q118 HydrophobicContact CG-CG 4.12Å; W64-Q118 HydrophobicContact CZ2-CB 4.16Å; W64-Q118 HydrophobicContact CZ3-CG 4.32Å; I113-Q118 WeakPolarHBondContact CA-O 3.43Å; L114-Q118 PolarHBondContact N-O 3.32Å; G116-Q118 VanDerWaalsContact C-N 3.32Å; G116-Q118 PolarHBondContact O-N 3.2Å; Q118-V120 HydrophobicContact CG-CG1 4.35Å; Q118-L223 HydrophobicContact CG-CD1 3.49Å; Q118-L223 VanDerWaalsContact CG-CD1 3.49Å; Q118-W224 PolarHBondContact NE2-O 3.16Å | ||
| 119 | K | 98.2 | Very high | 97.8 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 31% | 0.309 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 140.6 | 172.4 | -63.6 | 171.7 | -166 | 154.8 | 0 | 109.9 | L111 L112 G117 W224 D227 | L111-K119 HydrophobicContact CD1-CB 4.27Å; L112-K119 WeakPolarHBondContact O-CA 3.45Å; G117-K119 PolarHBondContact O-N 3.47Å; K119-W224 HydrophobicContact CB-CB 3.62Å; K119-W224 HydrophobicContact CB-CD2 4.39Å; K119-W224 HydrophobicContact CB-CG 3.88Å; K119-W224 HydrophobicContact CD-CG 4.37Å; K119-W224 WeakPolarHBondContact O-CB 3.3Å; K119-W224 PolarHBondContact O-N 3.01Å; K119-W224 VanDerWaalsContact O-N 3.13Å; K119-D227 IonicContact NZ-OD1 2.7Å; K119-D227 IonicContact NZ-OD2 2.78Å |
| 120 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.7 | 171.5 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | L112 L114 Q118 V221 T222 L223 | L112-V120 HydrophobicContact CB-CG2 3.72Å; L112-V120 HydrophobicContact CD1-CG2 4.47Å; L112-V120 HydrophobicContact CG-CG2 4.49Å; L112-V120 PolarHBondContact N-O 2.89Å; L112-V120 PolarHBondContact O-N 2.85Å; L114-V120 HydrophobicContact CD1-CG1 3.86Å; L114-V120 HydrophobicContact CD1-CG2 4.28Å; L114-V120 HydrophobicContact CD2-CG2 4.18Å; L114-V120 HydrophobicContact CG-CG1 4.19Å; L114-V120 HydrophobicContact CG-CG2 4.02Å; Q118-V120 HydrophobicContact CG-CG1 4.35Å; V120-V221 HydrophobicContact CB-CG1 3.59Å; V120-V221 HydrophobicContact CG1-CG1 3.83Å; V120-V221 HydrophobicContact CG2-CG1 3.63Å; V120-T222 CarbonylContact C-O 3.57Å; V120-T222 VanDerWaalsContact CA-O 3.24Å; V120-T222 WeakPolarHBondContact CA-O 3.4Å; V120-T222 WeakPolarHBondContact CB-O 3.37Å; V120-L223 HydrophobicContact CG1-CD1 4.17Å |
| 121 | V | 97.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 43 Ų | 43 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.7 | 169.7 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | K109 K123 V221 T222 W224 | K109-V121 HydrophobicContact CB-CG1 4.02Å; K109-V121 HydrophobicContact CD-CG1 4.04Å; K109-V121 HydrophobicContact CG-CG1 4.44Å; V121-K123 HydrophobicContact CG1-CG 4.25Å; V121-V221 CarbonylContact O-C 3.59Å; V121-V221 WeakPolarHBondContact O-CA 3.39Å; V121-T222 PolarHBondContact N-O 2.84Å; V121-T222 PolarHBondContact O-N 2.87Å; V121-W224 HydrophobicContact CG2-CE3 3.65Å; V121-W224 HydrophobicContact CG2-CZ3 3.51Å |
| 122 | F | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.9 | 171.2 | 179.5 | -104.2 | 0 | 0 | 0 | 110.4 | K109 A110 L112 P124 V170 M217 S220 V221 | K109-F122 WeakPolarHBondContact CA-O 3.22Å; A110-F122 HydrophobicContact CB-CB 4.36Å; A110-F122 HydrophobicContact CB-CD1 4.48Å; A110-F122 PolarHBondContact N-O 3.04Å; A110-F122 PolarHBondContact O-N 2.87Å; L112-F122 HydrophobicContact CD1-CB 3.57Å; L112-F122 HydrophobicContact CD1-CD2 4.4Å; L112-F122 HydrophobicContact CD1-CG 4.06Å; L112-F122 HydrophobicContact CG-CB 3.89Å; F122-P124 HydrophobicContact CE1-CB 3.97Å; F122-V170 HydrophobicContact CE2-CG2 3.91Å; F122-V170 HydrophobicContact CZ-CG2 4.25Å; F122-M217 HydrophobicContact CE1-CG 4.28Å; F122-M217 HydrophobicContact CE1-SD 3.98Å; F122-M217 HydrophobicContact CZ-CG 4.03Å; F122-M217 HydrophobicContact CZ-SD 4.34Å; F122-S220 VanDerWaalsContact CA-O 3.3Å; F122-S220 WeakPolarHBondContact CA-O 3.23Å; F122-V221 HydrophobicContact CD2-CG2 4.09Å |
| 123 | K | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116.8 | 170.9 | -63.1 | -167.1 | -178.7 | -174.8 | 0 | 108.8 | K109 V121 D142 H144 E147 G219 S220 D309 A311 | K109-K123 HydrophobicContact CB-CG 4.25Å; V121-K123 HydrophobicContact CG1-CG 4.25Å; K123-D142 HydrophobicContact CD-CB 4.36Å; K123-D142 WeakPolarHBondContact CE-OD2 3.25Å; K123-D142 IonicContact NZ-OD2 3.68Å; K123-D142 PolarHBondContact NZ-OD2 3.44Å; K123-H144 VanDerWaalsContact O-CB 3.25Å; K123-H144 WeakPolarHBondContact O-CB 3.49Å; K123-E147 HydrophobicContact CD-CG 4.13Å; K123-E147 WeakPolarHBondContact CE-OE1 3.35Å; K123-E147 IonicContact NZ-OE1 3.71Å; K123-E147 PolarHBondContact NZ-OE1 3.16Å; K123-G219 CarbonylContact O-C 3.51Å; K123-G219 WeakPolarHBondContact O-CA 3.1Å; K123-S220 PolarHBondContact N-O 2.85Å; K123-S220 PolarHBondContact O-N 3.44Å; K123-D309 IonicContact NZ-OD1 2.71Å; K123-D309 PolarHBondContact NZ-OD1 2.75Å; K123-A311 HydrophobicContact CD-CB 3.95Å |
| 124 | P | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 153.3 | -176.6 | 32.2 | -36.3 | 0 | 0 | 0 | 111.4 | L108 F122 R126 F197 A210 M217 | L108-P124 HydrophobicContact CD2-CG 3.91Å; L108-P124 HydrophobicContact CG-CG 4.04Å; F122-P124 HydrophobicContact CE1-CB 3.97Å; P124-R126 PolarHBondContact O-N 3.25Å; P124-F197 HydrophobicContact CB-CZ 4.34Å; P124-F197 HydrophobicContact CG-CZ 4.12Å; P124-A210 HydrophobicContact CB-CB 3.84Å; P124-A210 HydrophobicContact CG-CB 3.68Å; P124-M217 HydrophobicContact CB-CE 4.26Å; P124-M217 HydrophobicContact CB-CG 4.22Å; P124-M217 HydrophobicContact CB-SD 3.35Å; P124-M217 WeakPolarHBondContact CB-SD 3.44Å |
| 125 | K | 98.6 | Very high | 97.5 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | trans | -58.3 | 131.7 | 168.8 | 177.4 | 174.3 | -177.6 | 177.2 | 0 | 111.1 | Y127 H144 E218 | K125-Y127 WeakPolarHBondContact CE-O 3.4Å; K125-Y127 WeakPolarHBondContact CG-O 3.14Å; K125-H144 WeakPolarHBondContact CA-ND1 3.45Å; K125-E218 HydrophobicContact CB-CB 4.21Å; K125-E218 VanDerWaalsContact CB-O 3.24Å; K125-E218 WeakPolarHBondContact CB-O 3.4Å; K125-E218 HydrophobicContact CD-CB 4.03Å; K125-E218 HydrophobicContact CD-CG 4.42Å; K125-E218 WeakPolarHBondContact CD-OE2 3.49Å; K125-E218 PolarHBondContact N-O 3.24Å; K125-E218 IonicContact NZ-OE2 2.88Å; K125-E218 PolarHBondContact NZ-OE2 2.96Å | ||
| 126 | R | 98 | Very high | 97.2 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | trans | -117.6 | -24.8 | 176.8 | -58.9 | -56.9 | -57.5 | -76.2 | 5.2 | 113.8 | P124 Y141 E208 | P124-R126 PolarHBondContact O-N 3.25Å; R126-Y141 HydrophobicContact CB-CD2 3.96Å; R126-Y141 HydrophobicContact CB-CG 4.37Å; R126-Y141 HydrophobicContact CG-CD2 4.37Å; R126-Y141 HydrophobicContact CG-CG 4.39Å; R126-Y141 VanDerWaalsContact CZ-CD2 3.44Å; R126-Y141 VanDerWaalsContact NH1-CD1 3.27Å; R126-Y141 VanDerWaalsContact NH2-CZ 3.28Å; R126-E208 PolarHBondContact NH2-O 2.76Å | ||
| 127 | Y | 98.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -136.1 | 159.1 | -175.4 | -60.4 | -70.1 | 0 | 0 | 0 | 111.4 | K125 Y131 Y141 R143 | K125-Y127 WeakPolarHBondContact CE-O 3.4Å; K125-Y127 WeakPolarHBondContact CG-O 3.14Å; Y127-Y131 AromaticContact CD1-CD1 3.33Å; Y127-Y131 HydrophobicContact CD1-CD1 3.33Å; Y127-Y131 AromaticContact CD1-CD2 3.99Å; Y127-Y131 HydrophobicContact CD1-CD2 3.99Å; Y127-Y131 AromaticContact CD1-CE1 3.4Å; Y127-Y131 HydrophobicContact CD1-CE1 3.4Å; Y127-Y131 HydrophobicContact CD1-CE2 4.07Å; Y127-Y131 AromaticContact CD1-CG 3.64Å; Y127-Y131 HydrophobicContact CD1-CG 3.64Å; Y127-Y131 AromaticContact CD1-CZ 3.79Å; Y127-Y131 HydrophobicContact CD2-CD1 4.31Å; Y127-Y131 AromaticContact CE1-CD1 3.77Å; Y127-Y131 HydrophobicContact CE1-CD1 3.77Å; Y127-Y131 AromaticContact CE1-CE1 3.3Å; Y127-Y131 HydrophobicContact CE1-CE1 3.3Å; Y127-Y131 HydrophobicContact CE1-CE2 4.24Å; Y127-Y131 HydrophobicContact CE1-CG 4.39Å; Y127-Y131 AromaticContact CE1-CZ 3.59Å; Y127-Y131 AromaticContact CG-CD1 3.63Å; Y127-Y131 HydrophobicContact CG-CD1 3.63Å; Y127-Y131 HydrophobicContact CG-CE1 4.07Å; Y127-Y131 HydrophobicContact CG-CG 4.01Å; Y127-Y131 AromaticContact CZ-CE1 3.91Å; Y127-Y141 HydrophobicContact CE1-CD2 4.02Å; Y127-Y141 HydrophobicContact CE1-CE2 4.38Å; Y127-Y141 AromaticContact CE2-CD2 3.68Å; Y127-Y141 HydrophobicContact CE2-CD2 3.68Å; Y127-Y141 HydrophobicContact CE2-CG 4.1Å; Y127-Y141 AromaticContact CZ-CD2 3.3Å; Y127-Y141 AromaticContact CZ-CE2 3.98Å; Y127-Y141 WeakPolarHBondContact OH-CD2 3.33Å; Y127-Y141 WeakPolarHBondContact OH-CE2 3.46Å; Y127-Y141 PolarHBondContact OH-N 3.29Å; Y127-Y141 VanDerWaalsContact OH-N 3.12Å; Y127-R143 HydrophobicContact CD2-CG 3.88Å; Y127-R143 HydrophobicContact CE2-CG 4.46Å |
| 128 | A | 97.8 | Very high | 96.7 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 44% | 0.438 | 28% | 0.281 | S | S | . | . | trans | -69.3 | 161.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | D130 Y131 | A128-D130 WeakPolarHBondContact CB-OD1 3.42Å; A128-D130 PolarHBondContact O-N 3.44Å; A128-Y131 WeakPolarHBondContact O-CB 3.45Å; A128-Y131 PolarHBondContact O-N 2.93Å | ||
| 129 | R | 97.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 54 Ų | 54 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.4 | -176.5 | -70.2 | -66.3 | -166.5 | -80.3 | -7 | 114 | H144 E218 I363 P365 V366 | R129-H144 PolarHBondContact NH1-CE1 2.72Å; R129-H144 PolarHBondContact NH1-NE2 2.92Å; R129-E218 IonicContact CZ-OE1 3.33Å; R129-E218 IonicContact NH1-OE1 3.99Å; R129-E218 PolarHBondContact NH1-OE1 2.91Å; R129-E218 IonicContact NH2-OE1 3.48Å; R129-E218 PolarHBondContact NH2-OE1 3.29Å; R129-I363 PolarHBondContact NH2-O 3.05Å; R129-P365 PolarHBondContact NE-O 3.38Å; R129-P365 PolarHBondContact NH2-O 2.74Å; R129-V366 WeakPolarHBondContact CD-O 3.18Å; R129-V366 PolarHBondContact NE-O 2.87Å |
| 130 | D | 96.4 | Very high | 96.4 | Very high | 128 Ų | 128 | 51.9 Ų | 51.9 | 68% | 0.684 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 0.3 | -179 | 60.7 | -24 | 0 | 0 | 0 | 113 | A128 V132 | A128-D130 WeakPolarHBondContact CB-OD1 3.42Å; A128-D130 PolarHBondContact O-N 3.44Å; D130-V132 PolarHBondContact O-N 2.9Å |
| 131 | Y | 98.1 | Very high | 96.3 | Very high | 110 Ų | 110 | 54.5 Ų | 54.5 | 43% | 0.431 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 127.8 | 177.2 | -174.9 | -93 | 0 | 0 | 0 | 110.8 | Y127 A128 V133 | Y127-Y131 AromaticContact CD1-CD1 3.33Å; Y127-Y131 HydrophobicContact CD1-CD1 3.33Å; Y127-Y131 AromaticContact CD1-CD2 3.99Å; Y127-Y131 HydrophobicContact CD1-CD2 3.99Å; Y127-Y131 AromaticContact CD1-CE1 3.4Å; Y127-Y131 HydrophobicContact CD1-CE1 3.4Å; Y127-Y131 HydrophobicContact CD1-CE2 4.07Å; Y127-Y131 AromaticContact CD1-CG 3.64Å; Y127-Y131 HydrophobicContact CD1-CG 3.64Å; Y127-Y131 AromaticContact CD1-CZ 3.79Å; Y127-Y131 HydrophobicContact CD2-CD1 4.31Å; Y127-Y131 AromaticContact CE1-CD1 3.77Å; Y127-Y131 HydrophobicContact CE1-CD1 3.77Å; Y127-Y131 AromaticContact CE1-CE1 3.3Å; Y127-Y131 HydrophobicContact CE1-CE1 3.3Å; Y127-Y131 HydrophobicContact CE1-CE2 4.24Å; Y127-Y131 HydrophobicContact CE1-CG 4.39Å; Y127-Y131 AromaticContact CE1-CZ 3.59Å; Y127-Y131 AromaticContact CG-CD1 3.63Å; Y127-Y131 HydrophobicContact CG-CD1 3.63Å; Y127-Y131 HydrophobicContact CG-CE1 4.07Å; Y127-Y131 HydrophobicContact CG-CG 4.01Å; Y127-Y131 AromaticContact CZ-CE1 3.91Å; A128-Y131 WeakPolarHBondContact O-CB 3.45Å; A128-Y131 PolarHBondContact O-N 2.93Å; Y131-V133 HydrophobicContact CD1-CG2 3.95Å; Y131-V133 HydrophobicContact CE1-CG2 3.83Å |
| 132 | V | 98 | Very high | 96.3 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 126.5 | 175.7 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | D130 N316 | D130-V132 PolarHBondContact O-N 2.9Å; V132-N316 HydrophobicContact CG1-CB 4.18Å |
| 133 | V | 97.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 120 | 173.5 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | Y131 A139 G315 | Y131-V133 HydrophobicContact CD1-CG2 3.95Å; Y131-V133 HydrophobicContact CE1-CG2 3.83Å; V133-A139 HydrophobicContact CG1-CB 4.1Å; V133-G315 PolarHBondContact N-O 3.07Å |
| 134 | E | 95.3 | Very high | 96.3 | Very high | 160 Ų | 160 | 54.9 Ų | 54.9 | 75% | 0.748 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -100.9 | 166.4 | 176.9 | -59.8 | -173.7 | 160.2 | 0 | 0 | 111.5 | ||
| 135 | G | 93.2 | Very high | 96.4 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 70% | 0.701 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 93.1 | -146 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 136 | E | 92.4 | Very high | 96.4 | Very high | 117 Ų | 117 | 51.9 Ų | 51.9 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -60.1 | 149.1 | -178 | -65.6 | -60.7 | 148.2 | 0 | 0 | 112.2 | Y138 A139 | E136-Y138 HydrophobicContact CB-CD1 4.25Å; E136-Y138 HydrophobicContact CB-CD2 4.44Å; E136-Y138 HydrophobicContact CB-CE1 3.91Å; E136-Y138 HydrophobicContact CB-CE2 4.11Å; E136-Y138 HydrophobicContact CG-CE1 4.39Å; E136-Y138 HydrophobicContact CG-CE2 4.5Å; E136-Y138 PolarHBondContact O-N 3.12Å; E136-A139 HydrophobicContact CB-CB 4.48Å; E136-A139 WeakPolarHBondContact O-CB 3.42Å; E136-A139 PolarHBondContact O-N 3.43Å |
| 137 | P | 90.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -19.7 | -178.6 | -29.1 | 36.7 | 0 | 0 | 0 | 115.9 | A288 E321 | P137-A288 HydrophobicContact CB-CB 3.34Å; P137-E321 HydrophobicContact CB-CG 4.23Å; P137-E321 HydrophobicContact CG-CG 4.32Å; P137-E321 WeakPolarHBondContact CG-OE2 3.45Å |
| 138 | Y | 91.8 | Very high | 96.4 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 9.2 | 179.2 | 53.6 | -95.2 | 0 | 0 | 0 | 113.8 | E136 Y242 D289 K312 | E136-Y138 HydrophobicContact CB-CD1 4.25Å; E136-Y138 HydrophobicContact CB-CD2 4.44Å; E136-Y138 HydrophobicContact CB-CE1 3.91Å; E136-Y138 HydrophobicContact CB-CE2 4.11Å; E136-Y138 HydrophobicContact CG-CE1 4.39Å; E136-Y138 HydrophobicContact CG-CE2 4.5Å; E136-Y138 PolarHBondContact O-N 3.12Å; Y138-Y242 AromaticContact CD1-CD1 3.93Å; Y138-Y242 HydrophobicContact CD1-CD1 3.93Å; Y138-Y242 AromaticContact CD1-CE1 3.72Å; Y138-Y242 HydrophobicContact CD1-CE1 3.72Å; Y138-Y242 AromaticContact CD2-CD1 3.91Å; Y138-Y242 HydrophobicContact CD2-CD1 3.91Å; Y138-Y242 HydrophobicContact CD2-CE1 4.03Å; Y138-Y242 AromaticContact CE1-CD1 3.83Å; Y138-Y242 HydrophobicContact CE1-CD1 3.83Å; Y138-Y242 HydrophobicContact CE1-CE1 4.1Å; Y138-Y242 AromaticContact CE2-CD1 3.83Å; Y138-Y242 HydrophobicContact CE2-CD1 3.83Å; Y138-Y242 HydrophobicContact CE2-CE1 4.39Å; Y138-Y242 AromaticContact CG-CD1 3.96Å; Y138-Y242 HydrophobicContact CG-CD1 3.96Å; Y138-Y242 AromaticContact CG-CE1 3.68Å; Y138-Y242 HydrophobicContact CG-CE1 3.68Å; Y138-Y242 AromaticContact CZ-CD1 3.77Å; Y138-D289 WeakPolarHBondContact CB-OD1 3.48Å; Y138-K312 PolarHBondContact O-NZ 2.68Å |
| 139 | A | 94.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | trans | -68.5 | 169.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V133 E136 | V133-A139 HydrophobicContact CG1-CB 4.1Å; E136-A139 HydrophobicContact CB-CB 4.48Å; E136-A139 WeakPolarHBondContact O-CB 3.42Å; E136-A139 PolarHBondContact O-N 3.43Å | ||
| 140 | G | 95.6 | Very high | 96.6 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 78.6 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K312 | G140-K312 PolarHBondContact O-NZ 3.02Š|
| 141 | Y | 97.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 37.8 Ų | 37.8 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | trans | -83.7 | 162.2 | 175.7 | -51 | -57.8 | 0 | 0 | 0 | 111.5 | R126 Y127 R143 E208 | R126-Y141 HydrophobicContact CB-CD2 3.96Å; R126-Y141 HydrophobicContact CB-CG 4.37Å; R126-Y141 HydrophobicContact CG-CD2 4.37Å; R126-Y141 HydrophobicContact CG-CG 4.39Å; R126-Y141 VanDerWaalsContact CZ-CD2 3.44Å; R126-Y141 VanDerWaalsContact NH1-CD1 3.27Å; R126-Y141 VanDerWaalsContact NH2-CZ 3.28Å; Y127-Y141 HydrophobicContact CE1-CD2 4.02Å; Y127-Y141 HydrophobicContact CE1-CE2 4.38Å; Y127-Y141 AromaticContact CE2-CD2 3.68Å; Y127-Y141 HydrophobicContact CE2-CD2 3.68Å; Y127-Y141 HydrophobicContact CE2-CG 4.1Å; Y127-Y141 AromaticContact CZ-CD2 3.3Å; Y127-Y141 AromaticContact CZ-CE2 3.98Å; Y127-Y141 WeakPolarHBondContact OH-CD2 3.33Å; Y127-Y141 WeakPolarHBondContact OH-CE2 3.46Å; Y127-Y141 PolarHBondContact OH-N 3.29Å; Y127-Y141 VanDerWaalsContact OH-N 3.12Å; Y141-R143 PolarHBondContact O-N 2.87Å; Y141-E208 PolarHBondContact OH-OE1 2.73Å | ||
| 142 | D | 97.7 | Very high | 96.7 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | trans | -53.6 | 133 | 164 | -85.4 | 16.7 | 0 | 0 | 0 | 111 | Q107 K123 A311 | Q107-D142 HydrophobicContact CB-CB 4.28Å; Q107-D142 WeakPolarHBondContact CG-OD1 3.37Å; K123-D142 HydrophobicContact CD-CB 4.36Å; K123-D142 WeakPolarHBondContact CE-OD2 3.25Å; K123-D142 IonicContact NZ-OD2 3.68Å; K123-D142 PolarHBondContact NZ-OD2 3.44Å; D142-A311 HydrophobicContact CB-CB 3.48Å; D142-A311 VanDerWaalsContact CB-CB 3.48Å; D142-A311 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 143 | R | 98.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 5% | 0.053 | 17% | 0.17 | C | C | . | . | trans | -105.6 | 117.2 | 178 | -71.2 | 166 | -65.8 | -106.2 | 3.7 | 109.2 | Y127 Y141 N145 A146 A311 K312 S313 G315 | Y127-R143 HydrophobicContact CD2-CG 3.88Å; Y127-R143 HydrophobicContact CE2-CG 4.46Å; Y141-R143 PolarHBondContact O-N 2.87Å; R143-N145 VanDerWaalsContact C-N 3.34Å; R143-N145 PolarHBondContact O-N 3.11Å; R143-A146 HydrophobicContact CB-CB 3.91Å; R143-A146 WeakPolarHBondContact O-CB 3.21Å; R143-A146 PolarHBondContact O-N 2.91Å; R143-A146 VanDerWaalsContact O-N 3.16Å; R143-A311 PolarHBondContact N-O 3.36Å; R143-K312 PolarHBondContact NH2-O 2.98Å; R143-S313 PolarHBondContact NE-O 3.33Å; R143-S313 PolarHBondContact NH2-O 3.23Å; R143-G315 VanDerWaalsContact CZ-CA 3.44Å | ||
| 144 | H | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | -177.6 | 69.8 | -59.7 | 0 | 0 | 0 | 112.6 | K123 K125 R129 A146 E147 V148 E218 S220 | K123-H144 VanDerWaalsContact O-CB 3.25Å; K123-H144 WeakPolarHBondContact O-CB 3.49Å; K125-H144 WeakPolarHBondContact CA-ND1 3.45Å; R129-H144 PolarHBondContact NH1-CE1 2.72Å; R129-H144 PolarHBondContact NH1-NE2 2.92Å; H144-A146 PolarHBondContact O-N 3.17Å; H144-E147 PolarHBondContact O-N 3.44Å; H144-V148 PolarHBondContact O-N 3.36Å; H144-E218 IonicContact CD2-OE1 2.65Å; H144-E218 IonicContact CE1-OE1 3.57Å; H144-E218 IonicContact NE2-OE1 3.68Å; H144-E218 PolarHBondContact NE2-OE1 3.31Å; H144-S220 VanDerWaalsContact O-CB 3.3Å; H144-S220 WeakPolarHBondContact O-CB 3.38Å; H144-S220 PolarHBondContact O-OG 3.32Å |
| 145 | N | 98.8 | Very high | 96.9 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.064 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.5 | -25.5 | 177.2 | 66.9 | -54.6 | 0 | 0 | 0 | 112.5 | R143 V148 A149 V366 | R143-N145 VanDerWaalsContact C-N 3.34Å; R143-N145 PolarHBondContact O-N 3.11Å; N145-V148 PolarHBondContact O-N 3.17Å; N145-A149 WeakPolarHBondContact O-CB 3.33Å; N145-A149 PolarHBondContact O-N 3.42Å; N145-V366 HydrophobicContact CB-CG1 4.1Å; N145-V366 WeakPolarHBondContact CB-O 3.5Å; N145-V366 PolarHBondContact ND2-O 2.92Å; N145-V366 VanDerWaalsContact O-CG1 3.32Å; N145-V366 WeakPolarHBondContact O-CG1 3.32Å |
| 146 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R143 H144 A149 A150 S313 F314 | R143-A146 HydrophobicContact CB-CB 3.91Å; R143-A146 WeakPolarHBondContact O-CB 3.21Å; R143-A146 PolarHBondContact O-N 2.91Å; R143-A146 VanDerWaalsContact O-N 3.16Å; H144-A146 PolarHBondContact O-N 3.17Å; A146-A149 PolarHBondContact O-N 3.06Å; A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 2.72Å; A146-S313 WeakPolarHBondContact CB-O 3.21Å; A146-F314 HydrophobicContact CB-CB 4.41Å; A146-F314 HydrophobicContact CB-CD2 3.78Å |
| 147 | E | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 14.1 Ų | 14.1 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 174.8 | -65.1 | -74 | -170.6 | 0 | 0 | 111.6 | K123 H144 A150 F151 V165 N310 A311 | K123-E147 HydrophobicContact CD-CG 4.13Å; K123-E147 WeakPolarHBondContact CE-OE1 3.35Å; K123-E147 IonicContact NZ-OE1 3.71Å; K123-E147 PolarHBondContact NZ-OE1 3.16Å; H144-E147 PolarHBondContact O-N 3.44Å; E147-A150 PolarHBondContact O-N 3.05Å; E147-F151 PolarHBondContact O-N 3.39Å; E147-F151 VanDerWaalsContact O-N 3.07Å; E147-V165 HydrophobicContact CB-CG1 3.89Å; E147-V165 HydrophobicContact CB-CG2 4.46Å; E147-N310 PolarHBondContact OE1-N 3.3Å; E147-N310 VanDerWaalsContact OE1-N 3.17Å; E147-N310 PolarHBondContact OE2-N 3.17Å; E147-N310 VanDerWaalsContact OE2-N 3.08Å; E147-A311 HydrophobicContact CG-CB 3.78Å; E147-A311 VanDerWaalsContact OE1-CB 3.28Å; E147-A311 WeakPolarHBondContact OE1-CB 3.38Å; E147-A311 PolarHBondContact OE1-N 2.04Å; E147-A311 VanDerWaalsContact OE1-N 3.08Å |
| 148 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.2 | -50.9 | 177 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | H144 N145 A150 F151 H152 V165 D361 I363 V366 | H144-V148 PolarHBondContact O-N 3.36Å; N145-V148 PolarHBondContact O-N 3.17Å; V148-A150 VanDerWaalsContact C-N 3.34Å; V148-A150 PolarHBondContact O-N 3.18Å; V148-F151 PolarHBondContact O-N 3.22Å; V148-H152 PolarHBondContact O-CD2 2.94Å; V148-H152 VanDerWaalsContact O-CD2 3.27Å; V148-H152 PolarHBondContact O-N 3.27Å; V148-V165 HydrophobicContact CB-CG1 4.47Å; V148-V165 HydrophobicContact CG2-CG1 3.83Å; V148-D361 HydrophobicContact CG1-CB 4.42Å; V148-D361 WeakPolarHBondContact CG1-OD2 3Å; V148-I363 HydrophobicContact CG2-CD1 4.18Å; V148-V366 HydrophobicContact CB-CG1 3.89Å; V148-V366 HydrophobicContact CG1-CG1 3.83Å; V148-V366 HydrophobicContact CG1-CG2 3.94Å |
| 149 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N145 A146 H152 L153 F314 M358 V366 L367 | N145-A149 WeakPolarHBondContact O-CB 3.33Å; N145-A149 PolarHBondContact O-N 3.42Å; A146-A149 PolarHBondContact O-N 3.06Å; A149-H152 PolarHBondContact O-N 3.36Å; A149-L153 WeakPolarHBondContact O-CB 3.08Å; A149-L153 PolarHBondContact O-N 3.38Å; A149-F314 HydrophobicContact CB-CD2 4.22Å; A149-F314 HydrophobicContact CB-CE2 3.61Å; A149-F314 HydrophobicContact CB-CZ 3.96Å; A149-M358 HydrophobicContact CB-SD 3.72Å; A149-V366 HydrophobicContact CB-CG1 4.16Å; A149-L367 HydrophobicContact CB-CD1 3.74Å; A149-L367 HydrophobicContact CB-CD2 3.92Å; A149-L367 HydrophobicContact CB-CG 3.8Å |
| 150 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A146 E147 V148 L153 D154 F281 N310 | A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 2.72Å; E147-A150 PolarHBondContact O-N 3.05Å; V148-A150 VanDerWaalsContact C-N 3.34Å; V148-A150 PolarHBondContact O-N 3.18Å; A150-L153 PolarHBondContact O-N 3.5Å; A150-D154 WeakPolarHBondContact O-CB 3.3Å; A150-D154 PolarHBondContact O-N 3.2Å; A150-F281 HydrophobicContact CB-CE1 4.49Å; A150-F281 HydrophobicContact CB-CZ 3.83Å; A150-F281 WeakPolarHBondContact O-CE2 3.49Å; A150-F281 WeakPolarHBondContact O-CZ 3.49Å; A150-N310 HydrophobicContact CB-CB 3.48Å; A150-N310 VanDerWaalsContact CB-CB 3.48Å |
| 151 | F | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 174.5 | 163.7 | -114.1 | 0 | 0 | 0 | 112.2 | Y77 L84 M88 E147 V148 L153 D154 R155 P163 L164 V165 | Y77-F151 HydrophobicContact CD1-CE2 4.48Å; Y77-F151 HydrophobicContact CE1-CD2 4.44Å; Y77-F151 AromaticContact CE1-CE2 3.88Å; Y77-F151 HydrophobicContact CE1-CE2 3.88Å; L84-F151 HydrophobicContact CD1-CZ 4.26Å; M88-F151 HydrophobicContact CE-CE1 3.94Å; M88-F151 HydrophobicContact SD-CE1 3.93Å; M88-F151 HydrophobicContact SD-CZ 4.35Å; E147-F151 PolarHBondContact O-N 3.39Å; E147-F151 VanDerWaalsContact O-N 3.07Å; V148-F151 PolarHBondContact O-N 3.22Å; F151-L153 VanDerWaalsContact C-N 3.34Å; F151-L153 PolarHBondContact O-N 2.91Å; F151-D154 WeakPolarHBondContact O-CB 3.3Å; F151-D154 PolarHBondContact O-N 3.46Å; F151-R155 HydrophobicContact CE2-CG 4.13Å; F151-R155 HydrophobicContact CZ-CG 4.3Å; F151-R155 PolarHBondContact O-N 3.21Å; F151-R155 VanDerWaalsContact O-N 3.16Å; F151-P163 WeakPolarHBondContact CD2-O 3.4Å; F151-L164 HydrophobicContact CE2-CB 4.38Å; F151-L164 HydrophobicContact CE2-CD1 4.2Å; F151-L164 HydrophobicContact CE2-CG 4.01Å; F151-L164 HydrophobicContact CZ-CB 4.4Å; F151-L164 HydrophobicContact CZ-CG 3.94Å; F151-V165 HydrophobicContact CB-CB 3.89Å; F151-V165 HydrophobicContact CB-CG2 3.9Å; F151-V165 HydrophobicContact CD1-CB 4.43Å; F151-V165 VanDerWaalsContact CD1-O 3.3Å; F151-V165 WeakPolarHBondContact CD1-O 3.42Å; F151-V165 HydrophobicContact CG-CB 4.27Å; F151-V165 HydrophobicContact CG-CG2 4.48Å |
| 152 | H | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.009 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66.9 | -35.1 | 177.8 | -76.4 | -75.9 | 0 | 0 | 0 | 112.7 | V148 A149 R155 I156 L354 A357 M358 | V148-H152 PolarHBondContact O-CD2 2.94Å; V148-H152 VanDerWaalsContact O-CD2 3.27Å; V148-H152 PolarHBondContact O-N 3.27Å; A149-H152 PolarHBondContact O-N 3.36Å; H152-R155 WeakPolarHBondContact O-CB 3.38Å; H152-R155 PolarHBondContact O-N 3.01Å; H152-I156 WeakPolarHBondContact O-CD1 3.47Å; H152-I156 VanDerWaalsContact O-CG1 3.3Å; H152-I156 WeakPolarHBondContact O-CG1 3.34Å; H152-I156 PolarHBondContact O-N 3.5Å; H152-I156 VanDerWaalsContact O-N 3.08Å; H152-L354 HydrophobicContact CB-CD1 3.74Å; H152-A357 HydrophobicContact CB-CB 4.14Å; H152-A357 PolarHBondContact CE1-O 2.9Å; H152-A357 PolarHBondContact ND1-O 2.91Å; H152-M358 HydrophobicContact CB-CG 4.06Å |
| 153 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.7 | -39.7 | 174.2 | -178.4 | 64.2 | 0 | 0 | 0 | 112 | A149 A150 F151 R155 I156 L157 F281 L284 I285 L350 L354 L375 | A149-L153 WeakPolarHBondContact O-CB 3.08Å; A149-L153 PolarHBondContact O-N 3.38Å; A150-L153 PolarHBondContact O-N 3.5Å; F151-L153 VanDerWaalsContact C-N 3.34Å; F151-L153 PolarHBondContact O-N 2.91Å; L153-R155 VanDerWaalsContact C-N 3.29Å; L153-R155 PolarHBondContact O-N 3.42Å; L153-I156 PolarHBondContact O-N 2.98Å; L153-I156 VanDerWaalsContact O-N 3.11Å; L153-L157 HydrophobicContact CD1-CD1 4.06Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CD2-CD1 4.34Å; L153-L157 HydrophobicContact CG-CD1 3.82Å; L153-L157 HydrophobicContact CG-CG 4.27Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.45Å; L153-F281 HydrophobicContact CB-CE2 4.18Å; L153-F281 HydrophobicContact CD2-CD2 4.15Å; L153-F281 HydrophobicContact CD2-CE2 4.08Å; L153-F281 HydrophobicContact CG-CD2 4.33Å; L153-F281 HydrophobicContact CG-CE2 4.13Å; L153-L284 HydrophobicContact CD2-CB 4.02Å; L153-L284 HydrophobicContact CD2-CD1 4.38Å; L153-I285 HydrophobicContact CD2-CG2 3.28Å; L153-L350 HydrophobicContact CD1-CD1 3.64Å; L153-L354 HydrophobicContact CB-CD1 4.3Å; L153-L375 HydrophobicContact CD2-CD2 4.26Å |
| 154 | D | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -57.6 | -41.6 | 174.3 | 174.3 | 64.4 | 0 | 0 | 0 | 111.5 | Y77 A150 F151 G158 F159 R160 R161 A162 F281 L307 | Y77-D154 PolarHBondContact OH-OD2 3.14Å; A150-D154 WeakPolarHBondContact O-CB 3.3Å; A150-D154 PolarHBondContact O-N 3.2Å; F151-D154 WeakPolarHBondContact O-CB 3.3Å; F151-D154 PolarHBondContact O-N 3.46Å; D154-G158 PolarHBondContact O-N 3.18Å; D154-G158 VanDerWaalsContact O-N 3.17Å; D154-F159 PolarHBondContact O-N 2.88Å; D154-F159 WeakPolarHBondContact OD1-CB 3.12Å; D154-R160 PolarHBondContact OD1-N 3.37Å; D154-R160 VanDerWaalsContact OD1-N 3.14Å; D154-R160 VanDerWaalsContact OD2-CA 3.31Å; D154-R160 WeakPolarHBondContact OD2-CA 3.33Å; D154-R160 PolarHBondContact OD2-N 3.11Å; D154-R161 PolarHBondContact OD1-N 3.35Å; D154-R161 PolarHBondContact OD2-N 3.19Å; D154-A162 HydrophobicContact CB-CB 3.85Å; D154-A162 WeakPolarHBondContact OD2-CB 3.44Å; D154-A162 PolarHBondContact OD2-N 3.24Å; D154-F281 HydrophobicContact CB-CE2 4.08Å; D154-L307 HydrophobicContact CB-CD1 4.44Å; D154-L307 WeakPolarHBondContact OD1-CD1 3.09Å |
| 155 | R | 97.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 7.8 Ų | 7.8 | 9% | 0.091 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.6 | -47.2 | 171 | -68.1 | 178.1 | 64.8 | -139.9 | -8.1 | 112.4 | S47 V50 Y77 F151 H152 L153 L157 G158 | S47-R155 PolarHBondContact O-NH2 3.27Å; V50-R155 VanDerWaalsContact CG2-NH1 3.33Å; Y77-R155 HydrophobicContact CE2-CG 3.76Å; Y77-R155 WeakPolarHBondContact OH-CA 3.41Å; Y77-R155 WeakPolarHBondContact OH-CG 3.25Å; Y77-R155 PolarHBondContact OH-N 3.47Å; F151-R155 HydrophobicContact CE2-CG 4.13Å; F151-R155 HydrophobicContact CZ-CG 4.3Å; F151-R155 PolarHBondContact O-N 3.21Å; F151-R155 VanDerWaalsContact O-N 3.16Å; H152-R155 WeakPolarHBondContact O-CB 3.38Å; H152-R155 PolarHBondContact O-N 3.01Å; L153-R155 VanDerWaalsContact C-N 3.29Å; L153-R155 PolarHBondContact O-N 3.42Å; R155-L157 PolarHBondContact O-N 2.81Å; R155-G158 PolarHBondContact O-N 3.04Å |
| 156 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | -176.9 | -71.5 | 163.2 | 0 | 0 | 0 | 111.9 | M44 L48 H152 L153 G158 R341 L345 L350 A353 L354 A357 | M44-I156 HydrophobicContact CE-CG2 4.41Å; M44-I156 WeakPolarHBondContact CE-O 3.45Å; M44-I156 HydrophobicContact SD-CB 4.43Å; M44-I156 HydrophobicContact SD-CG1 4.27Å; M44-I156 HydrophobicContact SD-CG2 4.48Å; L48-I156 HydrophobicContact CD2-CD1 4.19Å; L48-I156 HydrophobicContact CD2-CG1 3.64Å; H152-I156 WeakPolarHBondContact O-CD1 3.47Å; H152-I156 VanDerWaalsContact O-CG1 3.3Å; H152-I156 WeakPolarHBondContact O-CG1 3.34Å; H152-I156 PolarHBondContact O-N 3.5Å; H152-I156 VanDerWaalsContact O-N 3.08Å; L153-I156 PolarHBondContact O-N 2.98Å; L153-I156 VanDerWaalsContact O-N 3.11Å; I156-G158 PolarHBondContact O-N 3.09Å; I156-R341 WeakPolarHBondContact O-CD 3.18Å; I156-L345 HydrophobicContact CG2-CD1 3.96Å; I156-L345 HydrophobicContact CG2-CD2 3.57Å; I156-L345 HydrophobicContact CG2-CG 4.45Å; I156-L350 HydrophobicContact CG2-CD1 4.06Å; I156-A353 HydrophobicContact CD1-CB 4.03Å; I156-A353 HydrophobicContact CG1-CB 4.37Å; I156-A353 HydrophobicContact CG2-CB 4.29Å; I156-L354 VanDerWaalsContact CD1-CA 3.43Å; I156-L354 HydrophobicContact CD1-CB 3.86Å; I156-L354 HydrophobicContact CD1-CD1 3.86Å; I156-L354 HydrophobicContact CD1-CG 4.49Å; I156-A357 HydrophobicContact CD1-CB 4.22Å |
| 157 | L | 98.4 | Very high | 98.4 | Very high | 6 Ų | 6 | 7.2 Ų | 7.2 | 3% | 0.031 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -73.9 | -12.1 | 175 | -65.4 | 170.8 | 0 | 0 | 0 | 112 | L153 R155 F159 F281 L284 R341 L342 L345 | L153-L157 HydrophobicContact CD1-CD1 4.06Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CD2-CD1 4.34Å; L153-L157 HydrophobicContact CG-CD1 3.82Å; L153-L157 HydrophobicContact CG-CG 4.27Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.45Å; R155-L157 PolarHBondContact O-N 2.81Å; L157-F159 HydrophobicContact CB-CD1 4.32Å; L157-F159 HydrophobicContact CB-CD2 3.73Å; L157-F159 HydrophobicContact CB-CE1 4.41Å; L157-F159 HydrophobicContact CB-CE2 3.84Å; L157-F159 HydrophobicContact CB-CG 3.98Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 3.88Å; L157-F159 HydrophobicContact CD1-CE2 3.52Å; L157-F159 HydrophobicContact CD1-CZ 4.29Å; L157-F159 HydrophobicContact CG-CD2 4.47Å; L157-F159 HydrophobicContact CG-CE2 4.26Å; L157-F159 PolarHBondContact O-N 3.23Å; L157-F281 HydrophobicContact CD1-CD2 3.9Å; L157-L284 HydrophobicContact CD1-CD1 3.94Å; L157-L284 HydrophobicContact CD2-CD1 4.19Å; L157-R341 WeakPolarHBondContact O-CG 3.15Å; L157-R341 PolarHBondContact O-NE 3.4Å; L157-L342 HydrophobicContact CD2-CD2 4Å; L157-L345 HydrophobicContact CD2-CD1 3.77Å |
| 158 | G | 96.4 | Very high | 98.4 | Very high | 18 Ų | 18 | 7.2 Ų | 7.2 | 19% | 0.186 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 22.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D154 R155 I156 R160 | D154-G158 PolarHBondContact O-N 3.18Å; D154-G158 VanDerWaalsContact O-N 3.17Å; R155-G158 PolarHBondContact O-N 3.04Å; I156-G158 PolarHBondContact O-N 3.09Å; G158-R160 PolarHBondContact O-NH1 3.16Å |
| 159 | F | 97.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 12.1 Ų | 12.1 | 5% | 0.048 | 6% | 0.057 | C | C | . | . | trans | -75.6 | -43.2 | 180 | -75.5 | -19.8 | 0 | 0 | 0 | 111.7 | D154 L157 R161 D277 F281 T338 | D154-F159 PolarHBondContact O-N 2.88Å; D154-F159 WeakPolarHBondContact OD1-CB 3.12Å; L157-F159 HydrophobicContact CB-CD1 4.32Å; L157-F159 HydrophobicContact CB-CD2 3.73Å; L157-F159 HydrophobicContact CB-CE1 4.41Å; L157-F159 HydrophobicContact CB-CE2 3.84Å; L157-F159 HydrophobicContact CB-CG 3.98Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 3.88Å; L157-F159 HydrophobicContact CD1-CE2 3.52Å; L157-F159 HydrophobicContact CD1-CZ 4.29Å; L157-F159 HydrophobicContact CG-CD2 4.47Å; L157-F159 HydrophobicContact CG-CE2 4.26Å; L157-F159 PolarHBondContact O-N 3.23Å; F159-R161 VanDerWaalsContact C-N 3.29Å; F159-R161 HydrophobicContact CB-CG 4.07Å; F159-R161 WeakPolarHBondContact O-CG 3.21Å; F159-R161 PolarHBondContact O-N 3.31Å; F159-D277 HydrophobicContact CD1-CB 4.5Å; F159-D277 HydrophobicContact CE1-CB 3.81Å; F159-D277 HydrophobicContact CE2-CB 4.36Å; F159-D277 WeakPolarHBondContact CE2-O 3.1Å; F159-D277 HydrophobicContact CZ-CB 3.73Å; F159-F281 HydrophobicContact CD2-CB 4.4Å; F159-F281 HydrophobicContact CD2-CD2 4.35Å; F159-F281 HydrophobicContact CE2-CB 3.98Å; F159-T338 HydrophobicContact CE1-CG2 4Å; F159-T338 HydrophobicContact CZ-CG2 3.99Å | ||
| 160 | R | 97.4 | Very high | 98.4 | Very high | 53 Ų | 53 | 12.1 Ų | 12.1 | 20% | 0.2 | 6% | 0.057 | C | C | . | . | trans | 57 | 40.5 | 176.6 | -48.4 | -173.3 | -61.5 | -77.3 | 3.1 | 113 | E75 V76 Y77 D154 G158 | E75-R160 WeakPolarHBondContact CA-O 3.29Å; E75-R160 HydrophobicContact CB-CB 4.11Å; E75-R160 IonicContact OE2-CZ 2.84Å; E75-R160 VanDerWaalsContact OE2-CZ 3.25Å; E75-R160 IonicContact OE2-NE 3.53Å; E75-R160 PolarHBondContact OE2-NE 3.08Å; E75-R160 IonicContact OE2-NH2 3.59Å; E75-R160 PolarHBondContact OE2-NH2 3.29Å; V76-R160 PolarHBondContact N-O 3.41Å; Y77-R160 HydrophobicContact CD2-CB 4.19Å; Y77-R160 HydrophobicContact CD2-CG 4.12Å; Y77-R160 HydrophobicContact CE1-CB 4.29Å; Y77-R160 HydrophobicContact CE2-CB 3.8Å; Y77-R160 HydrophobicContact CE2-CG 3.54Å; Y77-R160 WeakPolarHBondContact O-CB 3.35Å; Y77-R160 WeakPolarHBondContact O-CD 3.46Å; Y77-R160 PolarHBondContact O-NE 3.41Å; Y77-R160 WeakPolarHBondContact OH-CA 3.47Å; D154-R160 PolarHBondContact OD1-N 3.37Å; D154-R160 VanDerWaalsContact OD1-N 3.14Å; D154-R160 VanDerWaalsContact OD2-CA 3.31Å; D154-R160 WeakPolarHBondContact OD2-CA 3.33Å; D154-R160 PolarHBondContact OD2-N 3.11Å; G158-R160 PolarHBondContact O-NH1 3.16Å | ||
| 161 | R | 97.9 | Very high | 98.3 | Very high | 13 Ų | 13 | 13.7 Ų | 13.7 | 5% | 0.049 | 7% | 0.065 | C | C | . | . | trans | -114.4 | -8.8 | -175.4 | -44.1 | -168.4 | -172 | 151.7 | 5.3 | 113.2 | D154 F159 D274 D277 M304 L305 I306 L307 | D154-R161 PolarHBondContact OD1-N 3.35Å; D154-R161 PolarHBondContact OD2-N 3.19Å; F159-R161 VanDerWaalsContact C-N 3.29Å; F159-R161 HydrophobicContact CB-CG 4.07Å; F159-R161 WeakPolarHBondContact O-CG 3.21Å; F159-R161 PolarHBondContact O-N 3.31Å; R161-D274 IonicContact CZ-OD1 2.75Å; R161-D274 IonicContact NH1-OD1 2.87Å; R161-D274 IonicContact NH2-OD1 2.73Å; R161-D277 IonicContact CZ-OD2 3.38Å; R161-D277 IonicContact NH1-OD2 3.17Å; R161-D277 IonicContact NH2-OD2 2.8Å; R161-D277 PolarHBondContact NH2-OD2 3.08Å; R161-M304 HydrophobicContact CB-CE 4.18Å; R161-M304 HydrophobicContact CB-SD 3.97Å; R161-M304 HydrophobicContact CG-CE 4.3Å; R161-M304 HydrophobicContact CG-SD 3.5Å; R161-M304 VanDerWaalsContact CG-SD 3.5Å; R161-L305 WeakPolarHBondContact CB-O 3.34Å; R161-L305 VanDerWaalsContact CD-O 3.22Å; R161-L305 WeakPolarHBondContact CD-O 3.26Å; R161-I306 VanDerWaalsContact O-CG2 3.29Å; R161-I306 WeakPolarHBondContact O-CG2 3.36Å; R161-L307 HydrophobicContact CB-CB 4.4Å; R161-L307 HydrophobicContact CB-CD1 4.05Å; R161-L307 HydrophobicContact CB-CG 3.89Å; R161-L307 PolarHBondContact O-N 2.85Å | ||
| 162 | A | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -90.1 | 143.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y77 D154 L307 | Y77-A162 WeakPolarHBondContact CE1-O 3.22Å; D154-A162 HydrophobicContact CB-CB 3.85Å; D154-A162 WeakPolarHBondContact OD2-CB 3.44Å; D154-A162 PolarHBondContact OD2-N 3.24Å; A162-L307 HydrophobicContact CB-CB 4.13Å |
| 163 | P | 98.1 | Very high | 98.3 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 5% | 0.045 | 9% | 0.091 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 157.2 | 165.7 | 29.1 | -35.3 | 0 | 0 | 0 | 110.6 | F151 V165 T222 L225 L308 | F151-P163 WeakPolarHBondContact CD2-O 3.4Å; P163-V165 WeakPolarHBondContact O-CG2 3.31Å; P163-V165 PolarHBondContact O-N 3.05Å; P163-T222 HydrophobicContact CB-CG2 3.87Å; P163-T222 HydrophobicContact CG-CG2 3.49Å; P163-T222 VanDerWaalsContact CG-CG2 3.49Å; P163-L225 HydrophobicContact CB-CD2 4.4Å; P163-L308 HydrophobicContact CG-CD2 3.75Å |
| 164 | L | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 136.4 | 174.1 | -82.7 | 62.9 | 0 | 0 | 0 | 110.2 | W70 Y77 L84 V87 M88 M91 F151 T222 L223 | W70-L164 HydrophobicContact CZ3-CD2 4.06Å; Y77-L164 HydrophobicContact CD1-CD1 3.88Å; Y77-L164 HydrophobicContact CG-CD1 4.41Å; L84-L164 HydrophobicContact CD1-CD2 3.5Å; L84-L164 HydrophobicContact CD1-CG 3.89Å; V87-L164 HydrophobicContact CB-CD2 4.18Å; V87-L164 HydrophobicContact CG1-CD2 3.62Å; M88-L164 HydrophobicContact CG-CD2 4.49Å; M91-L164 HydrophobicContact CE-CB 4.33Å; M91-L164 WeakPolarHBondContact CE-O 3.3Å; M91-L164 HydrophobicContact SD-CB 4.04Å; F151-L164 HydrophobicContact CE2-CB 4.38Å; F151-L164 HydrophobicContact CE2-CD1 4.2Å; F151-L164 HydrophobicContact CE2-CG 4.01Å; F151-L164 HydrophobicContact CZ-CB 4.4Å; F151-L164 HydrophobicContact CZ-CG 3.94Å; L164-T222 WeakPolarHBondContact O-CA 3.38Å; L164-L223 HydrophobicContact CB-CB 4.16Å; L164-L223 HydrophobicContact CB-CD2 4.47Å; L164-L223 HydrophobicContact CD2-CD2 4.48Å; L164-L223 PolarHBondContact O-N 3.45Å |
| 165 | V | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 134.9 | 176.1 | -169.4 | 0 | 0 | 0 | 0 | 110 | E147 V148 F151 P163 V221 T222 | E147-V165 HydrophobicContact CB-CG1 3.89Å; E147-V165 HydrophobicContact CB-CG2 4.46Å; V148-V165 HydrophobicContact CB-CG1 4.47Å; V148-V165 HydrophobicContact CG2-CG1 3.83Å; F151-V165 HydrophobicContact CB-CB 3.89Å; F151-V165 HydrophobicContact CB-CG2 3.9Å; F151-V165 HydrophobicContact CD1-CB 4.43Å; F151-V165 VanDerWaalsContact CD1-O 3.3Å; F151-V165 WeakPolarHBondContact CD1-O 3.42Å; F151-V165 HydrophobicContact CG-CB 4.27Å; F151-V165 HydrophobicContact CG-CG2 4.48Å; P163-V165 WeakPolarHBondContact O-CG2 3.31Å; P163-V165 PolarHBondContact O-N 3.05Å; V165-V221 WeakPolarHBondContact CA-O 3.38Å; V165-T222 HydrophobicContact CG2-CG2 4.03Å |
| 166 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 147.3 | 173.6 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | L52 M88 M91 V221 P362 | L52-V166 HydrophobicContact CD1-CG2 4.34Å; M88-V166 HydrophobicContact CB-CG2 4.48Å; M88-V166 HydrophobicContact CE-CB 4.05Å; M88-V166 HydrophobicContact CE-CG2 3.99Å; M91-V166 HydrophobicContact CB-CG1 3.58Å; M91-V166 HydrophobicContact CE-CG1 4.18Å; V166-V221 HydrophobicContact CG1-CB 4.17Å; V166-V221 PolarHBondContact N-O 3.38Å; V166-V221 PolarHBondContact O-N 3.45Å; V166-P362 HydrophobicContact CG2-CG 4.2Å |
| 167 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 145.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113 | D361 P362 | G167-D361 WeakPolarHBondContact CA-OD1 3.49Å; G167-D361 PolarHBondContact N-OD1 3.46Å; G167-D361 PolarHBondContact N-OD2 3.08Å; G167-P362 WeakPolarHBondContact O-CG 3.42Å |
| 168 | R | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 139.8 | 174.1 | -173.4 | 174.1 | 174.2 | 156.8 | -2 | 111.5 | M91 S92 K94 V170 E175 G219 V221 | M91-R168 PolarHBondContact O-NH1 2.82Å; S92-R168 VanDerWaalsContact O-CD 3.32Å; S92-R168 WeakPolarHBondContact O-CD 3.34Å; S92-R168 WeakPolarHBondContact O-CG 3.39Å; S92-R168 PolarHBondContact O-NE 3.39Å; K94-R168 PolarHBondContact O-NH1 3.47Å; K94-R168 PolarHBondContact O-NH2 3.26Å; R168-V170 HydrophobicContact CG-CG2 3.82Å; R168-E175 IonicContact NH2-OE2 3.84Å; R168-E175 PolarHBondContact NH2-OE2 3.46Å; R168-E175 VanDerWaalsContact NH2-OE2 3.13Å; R168-G219 PolarHBondContact N-O 3.42Å; R168-G219 PolarHBondContact O-N 2.9Å; R168-V221 HydrophobicContact CB-CG2 3.69Å; R168-V221 HydrophobicContact CG-CG2 4.41Å |
| 169 | F | 98.8 | Very high | 98.5 | Very high | 102 Ų | 102 | 35.6 Ų | 35.6 | 45% | 0.447 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.1 | 163.5 | -65.8 | -86.2 | 0 | 0 | 0 | 109 | I216 M217 E218 P362 I363 | F169-I216 HydrophobicContact CB-CG2 4.01Å; F169-I216 HydrophobicContact CD1-CG2 3.95Å; F169-I216 HydrophobicContact CG-CG2 4.42Å; F169-M217 WeakPolarHBondContact CA-O 3.47Å; F169-E218 HydrophobicContact CD1-CB 3.89Å; F169-E218 HydrophobicContact CD1-CG 4.11Å; F169-E218 HydrophobicContact CE1-CB 3.7Å; F169-E218 HydrophobicContact CE1-CG 3.62Å; F169-E218 HydrophobicContact CZ-CG 3.99Å; F169-P362 WeakPolarHBondContact CE2-O 3.07Å; F169-I363 HydrophobicContact CD2-CG2 4.35Å; F169-I363 HydrophobicContact CE2-CG2 3.88Å; F169-I363 HydrophobicContact CZ-CG2 4.16Å |
| 170 | V | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.6 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | I96 F122 R168 L172 E175 I176 M217 | I96-V170 HydrophobicContact CD1-CG1 3.78Å; I96-V170 HydrophobicContact CD1-CG2 4.25Å; F122-V170 HydrophobicContact CE2-CG2 3.91Å; F122-V170 HydrophobicContact CZ-CG2 4.25Å; R168-V170 HydrophobicContact CG-CG2 3.82Å; V170-L172 PolarHBondContact O-N 3.12Å; V170-E175 HydrophobicContact CG1-CB 3.87Å; V170-I176 HydrophobicContact CG1-CD1 3.77Å; V170-I176 HydrophobicContact CG1-CG1 3.57Å; V170-M217 PolarHBondContact N-O 3.07Å; V170-M217 PolarHBondContact O-N 2.83Å |
| 171 | N | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 34.8 Ų | 34.8 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 107.3 | 170.9 | -173.8 | -59.7 | 0 | 0 | 0 | 110.2 | R173 T174 E175 D215 I216 | N171-R173 VanDerWaalsContact C-N 3.26Å; N171-R173 PolarHBondContact O-N 3.37Å; N171-R173 WeakPolarHBondContact OD1-CB 3.34Å; N171-R173 PolarHBondContact OD1-N 3.41Å; N171-R173 VanDerWaalsContact OD1-N 3.09Å; N171-T174 VanDerWaalsContact CB-OG1 3.27Å; N171-T174 WeakPolarHBondContact CB-OG1 3.45Å; N171-T174 PolarHBondContact O-N 3.22Å; N171-T174 PolarHBondContact OD1-N 3.45Å; N171-T174 PolarHBondContact OD1-OG1 2.9Å; N171-E175 HydrophobicContact CB-CG 4.37Å; N171-E175 PolarHBondContact N-OE1 3.07Å; N171-E175 WeakPolarHBondContact O-CA 3.4Å; N171-E175 VanDerWaalsContact O-CB 3.31Å; N171-E175 WeakPolarHBondContact O-CB 2.96Å; N171-E175 PolarHBondContact O-N 3.3Å; N171-D215 CarbonylContact C-O 3.3Å; N171-D215 WeakPolarHBondContact CA-O 3.21Å; N171-I216 HydrophobicContact CB-CD1 3.7Å; N171-I216 WeakPolarHBondContact ND2-CD1 3.5Å |
| 172 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -61.3 | -34.8 | -175.5 | -64.4 | -174.8 | 0 | 0 | 0 | 112.8 | V170 I176 K177 F188 T195 F197 A212 D215 M217 | V170-L172 PolarHBondContact O-N 3.12Å; L172-I176 HydrophobicContact CD2-CB 4.33Å; L172-I176 HydrophobicContact CD2-CG1 3.85Å; L172-I176 PolarHBondContact O-N 2.91Å; L172-K177 WeakPolarHBondContact O-CG 3.38Å; L172-K177 PolarHBondContact O-N 2.99Å; L172-F188 HydrophobicContact CB-CE1 4.16Å; L172-F188 HydrophobicContact CD1-CE1 4.23Å; L172-T195 HydrophobicContact CB-CG2 3.8Å; L172-T195 HydrophobicContact CD1-CG2 3.89Å; L172-T195 WeakPolarHBondContact CD1-O 3.3Å; L172-F197 HydrophobicContact CD1-CD1 4.27Å; L172-F197 HydrophobicContact CD2-CE1 4.34Å; L172-A212 HydrophobicContact CD1-CB 3.88Å; L172-A212 HydrophobicContact CG-CB 4.42Å; L172-D215 PolarHBondContact N-O 2.93Å; L172-M217 HydrophobicContact CD1-CB 4.1Å; L172-M217 HydrophobicContact CD1-CE 3.84Å; L172-M217 HydrophobicContact CD1-SD 4.11Å; L172-M217 HydrophobicContact CD2-CB 3.9Å; L172-M217 HydrophobicContact CD2-SD 4.1Å; L172-M217 HydrophobicContact CG-CB 3.87Å |
| 173 | R | 98.3 | Very high | 98.4 | Very high | 147 Ų | 147 | 46.9 Ų | 46.9 | 56% | 0.555 | 23% | 0.234 | S | C | * | . | I | π-helix | trans | -72.3 | -39.1 | -178.3 | -175.6 | -176.2 | -59.9 | -114.2 | -6.1 | 112.7 | N171 P178 D215 | N171-R173 VanDerWaalsContact C-N 3.26Å; N171-R173 PolarHBondContact O-N 3.37Å; N171-R173 WeakPolarHBondContact OD1-CB 3.34Å; N171-R173 PolarHBondContact OD1-N 3.41Å; N171-R173 VanDerWaalsContact OD1-N 3.09Å; R173-P178 WeakPolarHBondContact O-CD 3.39Å; R173-D215 HydrophobicContact CB-CB 4.28Å; R173-D215 IonicContact CZ-OD1 2.88Å; R173-D215 IonicContact CZ-OD2 3.17Å; R173-D215 IonicContact NE-OD1 2.76Å; R173-D215 PolarHBondContact NE-OD1 3.14Å; R173-D215 IonicContact NE-OD2 3.98Å; R173-D215 PolarHBondContact NE-OD2 3.12Å; R173-D215 IonicContact NH2-OD1 3.25Å; R173-D215 PolarHBondContact NH2-OD1 3.27Å; R173-D215 IonicContact NH2-OD2 2.68Å; R173-D215 PolarHBondContact NH2-OD2 2.85Å |
| 174 | T | 98.6 | Very high | 98.4 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | I | π-helix | trans | -106.2 | -26.3 | -170.4 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | N171 | N171-T174 VanDerWaalsContact CB-OG1 3.27Å; N171-T174 WeakPolarHBondContact CB-OG1 3.45Å; N171-T174 PolarHBondContact O-N 3.22Å; N171-T174 PolarHBondContact OD1-N 3.45Å; N171-T174 PolarHBondContact OD1-OG1 2.9Å |
| 175 | E | 98.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -105.1 | -27.8 | -179 | -64.3 | -179.4 | -96.5 | 0 | 0 | 113.8 | I96 R168 V170 N171 V179 | I96-E175 HydrophobicContact CD1-CB 4.35Å; R168-E175 IonicContact NH2-OE2 3.84Å; R168-E175 PolarHBondContact NH2-OE2 3.46Å; R168-E175 VanDerWaalsContact NH2-OE2 3.13Å; V170-E175 HydrophobicContact CG1-CB 3.87Å; N171-E175 HydrophobicContact CB-CG 4.37Å; N171-E175 PolarHBondContact N-OE1 3.07Å; N171-E175 WeakPolarHBondContact O-CA 3.4Å; N171-E175 VanDerWaalsContact O-CB 3.31Å; N171-E175 WeakPolarHBondContact O-CB 2.96Å; N171-E175 PolarHBondContact O-N 3.3Å; E175-V179 VanDerWaalsContact O-CG2 3.24Å; E175-V179 WeakPolarHBondContact O-CG2 3.47Å |
| 176 | I | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -102.8 | -62.7 | -177.3 | -59.8 | -60.5 | 0 | 0 | 0 | 112.3 | I96 A99 L112 V170 L172 P178 V179 A180 L184 F188 | I96-I176 HydrophobicContact CD1-CD1 3.76Å; I96-I176 HydrophobicContact CG2-CD1 4.29Å; A99-I176 HydrophobicContact CB-CD1 4.27Å; A99-I176 HydrophobicContact CB-CG2 3.96Å; L112-I176 HydrophobicContact CD1-CD1 4.36Å; L112-I176 HydrophobicContact CD2-CD1 3.72Å; V170-I176 HydrophobicContact CG1-CD1 3.77Å; V170-I176 HydrophobicContact CG1-CG1 3.57Å; L172-I176 HydrophobicContact CD2-CB 4.33Å; L172-I176 HydrophobicContact CD2-CG1 3.85Å; L172-I176 PolarHBondContact O-N 2.91Å; I176-P178 VanDerWaalsContact C-CD 3.41Å; I176-P178 VanDerWaalsContact C-N 3.33Å; I176-V179 CarbonylContact O-C 3.56Å; I176-V179 WeakPolarHBondContact O-CG2 3.34Å; I176-V179 PolarHBondContact O-N 2.87Å; I176-A180 HydrophobicContact CG2-CB 4.46Å; I176-A180 WeakPolarHBondContact O-CB 3.45Å; I176-A180 PolarHBondContact O-N 2.86Å; I176-L184 HydrophobicContact CG2-CD2 4.14Å; I176-F188 HydrophobicContact CG2-CE2 4.31Å; I176-F188 HydrophobicContact CG2-CZ 3.8Å |
| 177 | K | 98.6 | Very high | 98.2 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -52.9 | -40.6 | -173.5 | -69.9 | 177.7 | 83.5 | 172.3 | 0 | 113.8 | L172 V179 A180 L185 F188 | L172-K177 WeakPolarHBondContact O-CG 3.38Å; L172-K177 PolarHBondContact O-N 2.99Å; K177-V179 PolarHBondContact O-N 3.13Å; K177-A180 PolarHBondContact O-N 2.91Å; K177-L185 HydrophobicContact CB-CD2 4.02Å; K177-L185 HydrophobicContact CG-CD2 4.16Å; K177-L185 WeakPolarHBondContact O-CD2 3.36Å; K177-F188 HydrophobicContact CD-CD1 3.94Å; K177-F188 HydrophobicContact CD-CE1 4.06Å; K177-F188 HydrophobicContact CD-CG 4.3Å; K177-F188 HydrophobicContact CG-CD1 4.06Å; K177-F188 HydrophobicContact CG-CD2 4.29Å; K177-F188 HydrophobicContact CG-CE1 3.8Å; K177-F188 HydrophobicContact CG-CE2 4.02Å; K177-F188 HydrophobicContact CG-CG 4.29Å; K177-F188 HydrophobicContact CG-CZ 3.78Å |
| 178 | P | 98.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -67.4 | -19.4 | -179.1 | -23.6 | 36.9 | 0 | 0 | 0 | 114.8 | R173 I176 | R173-P178 WeakPolarHBondContact O-CD 3.39Å; I176-P178 VanDerWaalsContact C-CD 3.41Å; I176-P178 VanDerWaalsContact C-N 3.33Å |
| 179 | V | 98.7 | Very high | 98.2 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -119.2 | 8.5 | -177 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | I96 K98 A99 E175 I176 K177 | I96-V179 HydrophobicContact CG2-CG2 4.03Å; K98-V179 CarbonylContact C-O 3.6Å; K98-V179 WeakPolarHBondContact CA-O 3.4Å; A99-V179 HydrophobicContact CB-CG2 4.29Å; A99-V179 PolarHBondContact N-O 2.92Å; E175-V179 VanDerWaalsContact O-CG2 3.24Å; E175-V179 WeakPolarHBondContact O-CG2 3.47Å; I176-V179 CarbonylContact O-C 3.56Å; I176-V179 WeakPolarHBondContact O-CG2 3.34Å; I176-V179 PolarHBondContact O-N 2.87Å; K177-V179 PolarHBondContact O-N 3.13Å |
| 180 | A | 98.6 | Very high | 98.2 | Very high | 15 Ų | 15 | 55.2 Ų | 55.2 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -81.7 | 144.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A99 I176 K177 L184 L185 | A99-A180 HydrophobicContact CB-CB 4.29Å; A99-A180 CarbonylContact O-C 3.56Å; A99-A180 VanDerWaalsContact O-CA 3.25Å; A99-A180 WeakPolarHBondContact O-CA 3.33Å; I176-A180 HydrophobicContact CG2-CB 4.46Å; I176-A180 WeakPolarHBondContact O-CB 3.45Å; I176-A180 PolarHBondContact O-N 2.86Å; K177-A180 PolarHBondContact O-N 2.91Å; A180-L184 HydrophobicContact CB-CB 4.35Å; A180-L184 HydrophobicContact CB-CD2 3.91Å; A180-L184 HydrophobicContact CB-CG 4.25Å; A180-L185 HydrophobicContact CB-CD1 4.48Å; A180-L185 HydrophobicContact CB-CD2 3.94Å; A180-L185 HydrophobicContact CB-CG 3.73Å |
| 181 | T | 98.2 | Very high | 98.1 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | trans | -64 | 156.8 | 168.2 | 63 | 0 | 0 | 0 | 0 | 111 | A99 D100 Q183 L184 L185 | A99-T181 PolarHBondContact O-N 3.42Å; D100-T181 HydrophobicContact CB-CG2 3.84Å; D100-T181 WeakPolarHBondContact OD1-CG2 3.33Å; D100-T181 PolarHBondContact OD1-OG1 3.4Å; T181-Q183 PolarHBondContact O-N 2.87Å; T181-L184 PolarHBondContact O-N 2.88Å; T181-L184 VanDerWaalsContact O-N 3.11Å; T181-L184 PolarHBondContact OG1-N 2.87Å; T181-L185 WeakPolarHBondContact O-CB 3.17Å; T181-L185 WeakPolarHBondContact O-CG 3.44Å; T181-L185 PolarHBondContact O-N 3.12Å | ||
| 182 | E | 97.5 | Very high | 98 | Very high | 177 Ų | 177 | 60.2 Ų | 60.2 | 83% | 0.827 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -54.7 | -35 | 172.7 | -66.3 | -175.3 | 166.8 | 0 | 0 | 112 | L185 G186 | E182-L185 PolarHBondContact O-N 3.4Å; E182-G186 PolarHBondContact O-N 3.09Å |
| 183 | Q | 95.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 67.7 Ų | 67.7 | 43% | 0.425 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.3 | 179.8 | 168.2 | 3.3 | 0 | 0 | 112.7 | V101 T181 T187 K200 | V101-Q183 HydrophobicContact CG1-CG 4.17Å; V101-Q183 VanDerWaalsContact CG2-CD 3.43Å; V101-Q183 HydrophobicContact CG2-CG 3.75Å; T181-Q183 PolarHBondContact O-N 2.87Å; Q183-T187 WeakPolarHBondContact O-CG2 3.48Å; Q183-K200 HydrophobicContact CG-CD 3.71Å |
| 184 | L | 97.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -75.6 | -43.6 | 175.9 | 177.3 | 60.7 | 0 | 0 | 0 | 110.7 | A99 V101 I176 A180 T181 G186 T187 F188 F197 | A99-L184 HydrophobicContact CB-CD2 3.8Å; V101-L184 HydrophobicContact CG1-CB 4.02Å; V101-L184 HydrophobicContact CG1-CD1 3.93Å; I176-L184 HydrophobicContact CG2-CD2 4.14Å; A180-L184 HydrophobicContact CB-CB 4.35Å; A180-L184 HydrophobicContact CB-CD2 3.91Å; A180-L184 HydrophobicContact CB-CG 4.25Å; T181-L184 PolarHBondContact O-N 2.88Å; T181-L184 VanDerWaalsContact O-N 3.11Å; T181-L184 PolarHBondContact OG1-N 2.87Å; L184-G186 VanDerWaalsContact C-N 3.29Å; L184-G186 PolarHBondContact O-N 3.46Å; L184-T187 PolarHBondContact O-N 3.18Å; L184-T187 PolarHBondContact O-OG1 3.24Å; L184-F188 HydrophobicContact CD1-CE2 4.4Å; L184-F188 HydrophobicContact CG-CE2 4.06Å; L184-F188 WeakPolarHBondContact O-CD2 3.37Å; L184-F197 HydrophobicContact CD1-CD2 4.06Å; L184-F197 HydrophobicContact CD1-CE2 4.43Å |
| 185 | L | 98.1 | Very high | 97.9 | Very high | 66 Ų | 66 | 58 Ų | 58 | 35% | 0.346 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.4 | -42.2 | 178.3 | -79.8 | 173.7 | 0 | 0 | 0 | 112.7 | K177 A180 T181 E182 T187 F188 | K177-L185 HydrophobicContact CB-CD2 4.02Å; K177-L185 HydrophobicContact CG-CD2 4.16Å; K177-L185 WeakPolarHBondContact O-CD2 3.36Å; A180-L185 HydrophobicContact CB-CD1 4.48Å; A180-L185 HydrophobicContact CB-CD2 3.94Å; A180-L185 HydrophobicContact CB-CG 3.73Å; T181-L185 WeakPolarHBondContact O-CB 3.17Å; T181-L185 WeakPolarHBondContact O-CG 3.44Å; T181-L185 PolarHBondContact O-N 3.12Å; E182-L185 PolarHBondContact O-N 3.4Å; L185-T187 PolarHBondContact O-N 2.99Å; L185-F188 PolarHBondContact O-N 3.17Å; L185-F188 VanDerWaalsContact O-N 3.13Å |
| 186 | G | 97.7 | Very high | 97.8 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -3.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | E182 L184 | E182-G186 PolarHBondContact O-N 3.09Å; L184-G186 VanDerWaalsContact C-N 3.29Å; L184-G186 PolarHBondContact O-N 3.46Å |
| 187 | T | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -0.5 | 176.8 | 73.1 | 0 | 0 | 0 | 0 | 113.6 | Q183 L184 L185 L189 F197 Y198 G199 K200 | Q183-T187 WeakPolarHBondContact O-CG2 3.48Å; L184-T187 PolarHBondContact O-N 3.18Å; L184-T187 PolarHBondContact O-OG1 3.24Å; L185-T187 PolarHBondContact O-N 2.99Å; T187-L189 WeakPolarHBondContact O-CD2 3.47Å; T187-F197 WeakPolarHBondContact O-CA 3.39Å; T187-Y198 VanDerWaalsContact CA-CE1 3.45Å; T187-Y198 HydrophobicContact CG2-CD2 4.4Å; T187-Y198 HydrophobicContact CG2-CE1 4.4Å; T187-Y198 HydrophobicContact CG2-CE2 3.86Å; T187-Y198 WeakPolarHBondContact O-CD1 3.24Å; T187-Y198 VanDerWaalsContact O-CE1 3.26Å; T187-Y198 WeakPolarHBondContact O-CE1 3.12Å; T187-Y198 PolarHBondContact O-N 3.17Å; T187-G199 WeakPolarHBondContact CG2-O 3.47Å; T187-G199 PolarHBondContact OG1-N 3.08Å; T187-K200 HydrophobicContact CG2-CG 4.02Å |
| 188 | F | 98.6 | Very high | 97.8 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 138.8 | 177.2 | -84.6 | -93.2 | 0 | 0 | 0 | 111.3 | L172 I176 K177 L184 L185 T195 C196 F197 | L172-F188 HydrophobicContact CB-CE1 4.16Å; L172-F188 HydrophobicContact CD1-CE1 4.23Å; I176-F188 HydrophobicContact CG2-CE2 4.31Å; I176-F188 HydrophobicContact CG2-CZ 3.8Å; K177-F188 HydrophobicContact CD-CD1 3.94Å; K177-F188 HydrophobicContact CD-CE1 4.06Å; K177-F188 HydrophobicContact CD-CG 4.3Å; K177-F188 HydrophobicContact CG-CD1 4.06Å; K177-F188 HydrophobicContact CG-CD2 4.29Å; K177-F188 HydrophobicContact CG-CE1 3.8Å; K177-F188 HydrophobicContact CG-CE2 4.02Å; K177-F188 HydrophobicContact CG-CG 4.29Å; K177-F188 HydrophobicContact CG-CZ 3.78Å; L184-F188 HydrophobicContact CD1-CE2 4.4Å; L184-F188 HydrophobicContact CG-CE2 4.06Å; L184-F188 WeakPolarHBondContact O-CD2 3.37Å; L185-F188 PolarHBondContact O-N 3.17Å; L185-F188 VanDerWaalsContact O-N 3.13Å; F188-T195 HydrophobicContact CD1-CG2 3.71Å; F188-T195 HydrophobicContact CE1-CG2 3.84Å; F188-C196 VanDerWaalsContact CA-O 3.32Å; F188-C196 WeakPolarHBondContact CA-O 3.41Å; F188-C196 WeakPolarHBondContact CD1-O 3.5Å; F188-F197 HydrophobicContact CD1-CB 4.08Å; F188-F197 HydrophobicContact CD2-CB 4.23Å; F188-F197 HydrophobicContact CE1-CB 4.12Å; F188-F197 HydrophobicContact CE1-CD1 4.31Å; F188-F197 HydrophobicContact CE2-CB 4.29Å; F188-F197 HydrophobicContact CG-CB 4.15Å; F188-F197 HydrophobicContact CZ-CB 4.23Å; F188-F197 HydrophobicContact CZ-CD1 4.36Å; F188-F197 HydrophobicContact CZ-CG 4.43Å |
| 189 | L | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 168.7 | 172.8 | 62.6 | 158.6 | 0 | 0 | 0 | 109.9 | T187 V191 C196 Y198 E206 P209 | T187-L189 WeakPolarHBondContact O-CD2 3.47Å; L189-V191 HydrophobicContact CD1-CG2 3.79Å; L189-V191 HydrophobicContact CG-CG2 4.26Å; L189-C196 HydrophobicContact CD2-CB 4.35Å; L189-C196 HydrophobicContact CG-CB 4.27Å; L189-C196 PolarHBondContact N-O 3.08Å; L189-C196 PolarHBondContact O-N 3.36Å; L189-C196 VanDerWaalsContact O-O 3.1Å; L189-Y198 HydrophobicContact CD2-CD1 3.74Å; L189-Y198 HydrophobicContact CD2-CE1 4.35Å; L189-E206 HydrophobicContact CD1-CG 4.36Å; L189-P209 HydrophobicContact CD1-CG 4.41Å; L189-P209 HydrophobicContact CD2-CB 4.01Å |
| 190 | T | 98 | Very high | 97.3 | Very high | 103 Ų | 103 | 52.9 Ų | 52.9 | 63% | 0.632 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.4 | 173.1 | -53.4 | 0 | 0 | 0 | 0 | 108.2 | G192 S194 | T190-G192 WeakPolarHBondContact CG2-O 3.46Å; T190-S194 WeakPolarHBondContact CA-O 3.45Å |
| 191 | V | 97.4 | Very high | 97.1 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 110.9 | 174.6 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | L189 N193 S194 C196 P209 | L189-V191 HydrophobicContact CD1-CG2 3.79Å; L189-V191 HydrophobicContact CG-CG2 4.26Å; V191-N193 PolarHBondContact O-N 3.36Å; V191-S194 PolarHBondContact N-O 3.47Å; V191-S194 PolarHBondContact O-N 3.14Å; V191-C196 HydrophobicContact CG2-CB 4.37Å; V191-P209 HydrophobicContact CG2-CG 4.31Å |
| 192 | G | 96.3 | Very high | 96.7 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 68% | 0.68 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -118.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T190 | T190-G192 WeakPolarHBondContact CG2-O 3.46Š|
| 193 | N | 95.9 | Very high | 96.4 | Very high | 158 Ų | 158 | 56.7 Ų | 56.7 | 85% | 0.845 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 5.3 | 176.4 | -66.9 | -22.7 | 0 | 0 | 0 | 113.3 | V191 | V191-N193 PolarHBondContact O-N 3.36Š|
| 194 | S | 98.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.7 | -174.8 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | T190 V191 C196 A212 G214 | T190-S194 WeakPolarHBondContact CA-O 3.45Å; V191-S194 PolarHBondContact N-O 3.47Å; V191-S194 PolarHBondContact O-N 3.14Å; S194-C196 PolarHBondContact O-SG 2.87Å; S194-A212 WeakPolarHBondContact CB-O 3.34Å; S194-A212 PolarHBondContact OG-O 2.73Å; S194-G214 CarbonylContact C-O 3.57Å; S194-G214 WeakPolarHBondContact CA-O 3.45Å |
| 195 | T | 98.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 125.6 | 164.7 | -67.1 | 0 | 0 | 0 | 0 | 108.8 | L172 F188 A212 G214 D215 | L172-T195 HydrophobicContact CB-CG2 3.8Å; L172-T195 HydrophobicContact CD1-CG2 3.89Å; L172-T195 WeakPolarHBondContact CD1-O 3.3Å; F188-T195 HydrophobicContact CD1-CG2 3.71Å; F188-T195 HydrophobicContact CE1-CG2 3.84Å; T195-A212 WeakPolarHBondContact O-CB 3.41Å; T195-A212 PolarHBondContact O-N 2.91Å; T195-G214 PolarHBondContact N-O 2.91Å; T195-D215 WeakPolarHBondContact CB-OD1 3.47Å; T195-D215 PolarHBondContact OG1-OD1 3.33Å |
| 196 | C | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 160.5 | -177.8 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | F188 L189 V191 S194 P209 A210 C211 | F188-C196 VanDerWaalsContact CA-O 3.32Å; F188-C196 WeakPolarHBondContact CA-O 3.41Å; F188-C196 WeakPolarHBondContact CD1-O 3.5Å; L189-C196 HydrophobicContact CD2-CB 4.35Å; L189-C196 HydrophobicContact CG-CB 4.27Å; L189-C196 PolarHBondContact N-O 3.08Å; L189-C196 PolarHBondContact O-N 3.36Å; L189-C196 VanDerWaalsContact O-O 3.1Å; V191-C196 HydrophobicContact CG2-CB 4.37Å; S194-C196 PolarHBondContact O-SG 2.87Å; C196-P209 HydrophobicContact CB-CB 3.95Å; C196-P209 HydrophobicContact CB-CG 4.27Å; C196-A210 CarbonylContact C-O 3.53Å; C196-A210 WeakPolarHBondContact CA-O 3.47Å; C196-A210 VanDerWaalsContact CB-O 3.28Å; C196-A210 WeakPolarHBondContact CB-O 3.08Å; C196-C211 HydrophobicContact CB-CB 4Å; C196-C211 WeakPolarHBondContact CB-SG 3.28Å; C196-C211 WeakPolarHBondContact SG-CA 3.36Å; C196-C211 WeakPolarHBondContact SG-CB 3.45Å; C196-C211 CovalentContact SG-SG 2.04Å; C196-C211 PolarHBondContact SG-SG 3.26Å |
| 197 | F | 98.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.022 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 147.2 | 166.6 | 71.9 | -80.2 | 0 | 0 | 0 | 110.9 | L108 P124 L172 L184 T187 F188 A210 M217 | L108-F197 HydrophobicContact CD1-CD2 4.07Å; L108-F197 HydrophobicContact CD1-CE2 3.67Å; L108-F197 HydrophobicContact CD2-CE2 4.28Å; L108-F197 HydrophobicContact CG-CE2 4.2Å; P124-F197 HydrophobicContact CB-CZ 4.34Å; P124-F197 HydrophobicContact CG-CZ 4.12Å; L172-F197 HydrophobicContact CD1-CD1 4.27Å; L172-F197 HydrophobicContact CD2-CE1 4.34Å; L184-F197 HydrophobicContact CD1-CD2 4.06Å; L184-F197 HydrophobicContact CD1-CE2 4.43Å; T187-F197 WeakPolarHBondContact O-CA 3.39Å; F188-F197 HydrophobicContact CD1-CB 4.08Å; F188-F197 HydrophobicContact CD2-CB 4.23Å; F188-F197 HydrophobicContact CE1-CB 4.12Å; F188-F197 HydrophobicContact CE1-CD1 4.31Å; F188-F197 HydrophobicContact CE2-CB 4.29Å; F188-F197 HydrophobicContact CG-CB 4.15Å; F188-F197 HydrophobicContact CZ-CB 4.23Å; F188-F197 HydrophobicContact CZ-CD1 4.36Å; F188-F197 HydrophobicContact CZ-CG 4.43Å; F197-A210 PolarHBondContact N-O 2.61Å; F197-A210 PolarHBondContact O-N 3.09Å; F197-M217 HydrophobicContact CD1-CE 4.44Å; F197-M217 HydrophobicContact CD1-SD 4.39Å; F197-M217 HydrophobicContact CE1-CE 4.1Å; F197-M217 HydrophobicContact CE1-SD 3.55Å; F197-M217 VanDerWaalsContact CE1-SD 3.55Å; F197-M217 HydrophobicContact CZ-SD 4.35Å |
| 198 | Y | 96.9 | Very high | 96.1 | Very high | 51 Ų | 51 | 68.6 Ų | 68.6 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | trans | -104.9 | -10 | 176.1 | 64.5 | -91 | 0 | 0 | 0 | 113.5 | L108 T187 L189 C204 R205 E206 | L108-Y198 WeakPolarHBondContact CD1-O 3.34Å; T187-Y198 VanDerWaalsContact CA-CE1 3.45Å; T187-Y198 HydrophobicContact CG2-CD2 4.4Å; T187-Y198 HydrophobicContact CG2-CE1 4.4Å; T187-Y198 HydrophobicContact CG2-CE2 3.86Å; T187-Y198 WeakPolarHBondContact O-CD1 3.24Å; T187-Y198 VanDerWaalsContact O-CE1 3.26Å; T187-Y198 WeakPolarHBondContact O-CE1 3.12Å; T187-Y198 PolarHBondContact O-N 3.17Å; L189-Y198 HydrophobicContact CD2-CD1 3.74Å; L189-Y198 HydrophobicContact CD2-CE1 4.35Å; Y198-C204 WeakPolarHBondContact O-CB 3.46Å; Y198-C204 PolarHBondContact O-SG 2.81Å; Y198-R205 WeakPolarHBondContact CB-O 3.25Å; Y198-E206 HydrophobicContact CD1-CB 4.09Å; Y198-E206 HydrophobicContact CD1-CG 4.17Å; Y198-E206 HydrophobicContact CE1-CB 4.05Å; Y198-E206 HydrophobicContact CE1-CG 4.02Å; Y198-E206 HydrophobicContact CG-CB 4.5Å | ||
| 199 | G | 95.2 | Very high | 96 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | trans | 60.7 | -162.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T187 | T187-G199 WeakPolarHBondContact CG2-O 3.47Å; T187-G199 PolarHBondContact OG1-N 3.08Å | ||
| 200 | K | 92.8 | Very high | 96 | Very high | 110 Ų | 110 | 66.6 Ų | 66.6 | 48% | 0.478 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -134.1 | 112.4 | 175.7 | -65.8 | -167.8 | -175.2 | -177.3 | 0 | 110.5 | V101 Q183 T187 | V101-K200 HydrophobicContact CB-CB 4.39Å; V101-K200 HydrophobicContact CG1-CB 4.17Å; V101-K200 HydrophobicContact CG1-CG 4.3Å; V101-K200 HydrophobicContact CG2-CB 4.42Å; Q183-K200 HydrophobicContact CG-CD 3.71Å; T187-K200 HydrophobicContact CG2-CG 4.02Å |
| 201 | C | 93.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 64.3 Ų | 64.3 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -158.9 | 173.4 | 178.4 | 73.4 | 0 | 0 | 0 | 0 | 109.6 | T106 Q107 Y203 C204 | T106-C201 PolarHBondContact O-SG 3.42Å; Q107-C201 WeakPolarHBondContact O-CB 3.41Å; C201-Y203 VanDerWaalsContact C-N 3.35Å; C201-Y203 PolarHBondContact O-N 2.73Å; C201-C204 HydrophobicContact CB-CB 4.07Å; C201-C204 WeakPolarHBondContact CB-SG 3.36Å; C201-C204 PolarHBondContact N-SG 2.79Å; C201-C204 VanDerWaalsContact N-SG 3.36Å; C201-C204 PolarHBondContact O-N 2.92Å; C201-C204 VanDerWaalsContact SG-CA 3.58Å; C201-C204 WeakPolarHBondContact SG-CB 3.39Å; C201-C204 PolarHBondContact SG-N 2.84Å; C201-C204 CovalentContact SG-SG 2.04Å; C201-C204 PolarHBondContact SG-SG 2.6Å |
| 202 | Y | 91 | Very high | 96.1 | Very high | 153 Ų | 153 | 61.1 Ų | 61.1 | 60% | 0.6 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -43 | -176.1 | -174.6 | -104 | 0 | 0 | 0 | 113.4 | G105 R205 | G105-Y202 PolarHBondContact O-N 2.87Å; G105-Y202 VanDerWaalsContact O-N 3.14Å; Y202-R205 PolarHBondContact O-NH1 2.87Å; Y202-R205 PolarHBondContact O-NH2 2.86Å; Y202-R205 VanDerWaalsContact O-NH2 3.12Å |
| 203 | Y | 91.1 | Very high | 96.2 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.9 | 179 | -59.5 | -58.8 | 0 | 0 | 0 | 114.3 | T106 C201 R205 | T106-Y203 HydrophobicContact CG2-CD2 4.43Å; T106-Y203 HydrophobicContact CG2-CE2 3.99Å; T106-Y203 WeakPolarHBondContact O-CB 3.45Å; T106-Y203 VanDerWaalsContact O-CD2 3.23Å; T106-Y203 WeakPolarHBondContact O-CD2 3.27Å; T106-Y203 PolarHBondContact O-N 2.9Å; T106-Y203 VanDerWaalsContact O-N 3.14Å; C201-Y203 VanDerWaalsContact C-N 3.35Å; C201-Y203 PolarHBondContact O-N 2.73Å; Y203-R205 PolarHBondContact O-N 3.26Å |
| 204 | C | 94.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 12% | 0.122 | 29% | 0.292 | C | S | . | . | trans | -73.2 | 127.4 | -178.6 | -73.3 | 0 | 0 | 0 | 0 | 110.5 | Y198 C201 | Y198-C204 WeakPolarHBondContact O-CB 3.46Å; Y198-C204 PolarHBondContact O-SG 2.81Å; C201-C204 HydrophobicContact CB-CB 4.07Å; C201-C204 WeakPolarHBondContact CB-SG 3.36Å; C201-C204 PolarHBondContact N-SG 2.79Å; C201-C204 VanDerWaalsContact N-SG 3.36Å; C201-C204 PolarHBondContact O-N 2.92Å; C201-C204 VanDerWaalsContact SG-CA 3.58Å; C201-C204 WeakPolarHBondContact SG-CB 3.39Å; C201-C204 PolarHBondContact SG-N 2.84Å; C201-C204 CovalentContact SG-SG 2.04Å; C201-C204 PolarHBondContact SG-SG 2.6Å | ||
| 205 | R | 95.5 | Very high | 96.3 | Very high | 119 Ų | 119 | 58.9 Ų | 58.9 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | trans | -138.5 | 145.9 | -179.8 | -57.9 | -65.3 | 178.6 | -93.2 | -4.5 | 109.6 | Y198 Y202 Y203 T207 E208 | Y198-R205 WeakPolarHBondContact CB-O 3.25Å; Y202-R205 PolarHBondContact O-NH1 2.87Å; Y202-R205 PolarHBondContact O-NH2 2.86Å; Y202-R205 VanDerWaalsContact O-NH2 3.12Å; Y203-R205 PolarHBondContact O-N 3.26Å; R205-T207 PolarHBondContact O-N 3.22Å; R205-E208 CarbonylContact O-C 3.53Å; R205-E208 PolarHBondContact O-N 3.19Å | ||
| 206 | E | 96.4 | Very high | 96.3 | Very high | 128 Ų | 128 | 62.1 Ų | 62.1 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.4 | 176.4 | -171.7 | 178.4 | 162.7 | 0 | 0 | 112.6 | L189 Y198 E208 P209 | L189-E206 HydrophobicContact CD1-CG 4.36Å; Y198-E206 HydrophobicContact CD1-CB 4.09Å; Y198-E206 HydrophobicContact CD1-CG 4.17Å; Y198-E206 HydrophobicContact CE1-CB 4.05Å; Y198-E206 HydrophobicContact CE1-CG 4.02Å; Y198-E206 HydrophobicContact CG-CB 4.5Å; E206-E208 VanDerWaalsContact C-N 3.27Å; E206-E208 PolarHBondContact O-N 2.87Å; E206-P209 WeakPolarHBondContact O-CD 3.47Å |
| 207 | T | 96.9 | Very high | 96.3 | Very high | 126 Ų | 126 | 62.1 Ų | 62.1 | 77% | 0.773 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.3 | 176 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | R205 | R205-T207 PolarHBondContact O-N 3.22Š|
| 208 | E | 96.2 | Very high | 96.4 | Very high | 74 Ų | 74 | 63 Ų | 63 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -128.3 | 52.5 | -175.4 | -62.2 | 179.4 | 92.4 | 0 | 0 | 112.2 | R126 Y141 R205 E206 | R126-E208 PolarHBondContact NH2-O 2.76Å; Y141-E208 PolarHBondContact OH-OE1 2.73Å; R205-E208 CarbonylContact O-C 3.53Å; R205-E208 PolarHBondContact O-N 3.19Å; E206-E208 VanDerWaalsContact C-N 3.27Å; E206-E208 PolarHBondContact O-N 2.87Å |
| 209 | P | 97.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 60.6 Ų | 60.6 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | trans | -74 | 162.5 | -176.2 | 35.4 | -37 | 0 | 0 | 0 | 112 | L189 V191 C196 E206 | L189-P209 HydrophobicContact CD1-CG 4.41Å; L189-P209 HydrophobicContact CD2-CB 4.01Å; V191-P209 HydrophobicContact CG2-CG 4.31Å; C196-P209 HydrophobicContact CB-CB 3.95Å; C196-P209 HydrophobicContact CB-CG 4.27Å; E206-P209 WeakPolarHBondContact O-CD 3.47Å | ||
| 210 | A | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L108 P124 C196 F197 M217 | L108-A210 HydrophobicContact CD2-CB 3.62Å; P124-A210 HydrophobicContact CB-CB 3.84Å; P124-A210 HydrophobicContact CG-CB 3.68Å; C196-A210 CarbonylContact C-O 3.53Å; C196-A210 WeakPolarHBondContact CA-O 3.47Å; C196-A210 VanDerWaalsContact CB-O 3.28Å; C196-A210 WeakPolarHBondContact CB-O 3.08Å; F197-A210 PolarHBondContact N-O 2.61Å; F197-A210 PolarHBondContact O-N 3.09Å; A210-M217 HydrophobicContact CB-CE 3.93Å; A210-M217 WeakPolarHBondContact O-CE 3.33Å |
| 211 | C | 98.4 | Very high | 96.9 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.1 | -177.4 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | C196 | C196-C211 HydrophobicContact CB-CB 4Å; C196-C211 WeakPolarHBondContact CB-SG 3.28Å; C196-C211 WeakPolarHBondContact SG-CA 3.36Å; C196-C211 WeakPolarHBondContact SG-CB 3.45Å; C196-C211 CovalentContact SG-SG 2.04Å; C196-C211 PolarHBondContact SG-SG 3.26Å |
| 212 | A | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 5% | 0.05 | 28% | 0.276 | C | S | . | . | trans | -74.2 | 165.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L172 S194 T195 G214 I216 M217 | L172-A212 HydrophobicContact CD1-CB 3.88Å; L172-A212 HydrophobicContact CG-CB 4.42Å; S194-A212 WeakPolarHBondContact CB-O 3.34Å; S194-A212 PolarHBondContact OG-O 2.73Å; T195-A212 WeakPolarHBondContact O-CB 3.41Å; T195-A212 PolarHBondContact O-N 2.91Å; A212-G214 WeakPolarHBondContact CB-O 3.36Å; A212-G214 PolarHBondContact O-N 3.26Å; A212-I216 WeakPolarHBondContact CB-O 3.49Å; A212-M217 HydrophobicContact CB-CB 4.06Å; A212-M217 HydrophobicContact CB-CE 4.36Å | ||
| 213 | D | 98.3 | Very high | 97.5 | Very high | 143 Ų | 143 | 48.4 Ų | 48.4 | 77% | 0.765 | 25% | 0.252 | S | S | * | . | B | Isolated β-bridge | trans | -84 | 104.3 | 159.2 | -174.3 | 9 | 0 | 0 | 0 | 108.2 | D215 I216 | D213-D215 PolarHBondContact O-N 2.89Å; D213-I216 PolarHBondContact N-O 2.76Å; D213-I216 PolarHBondContact O-N 3.03Å |
| 214 | G | 98.3 | Very high | 97.8 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -106.3 | -162.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S194 T195 A212 | S194-G214 CarbonylContact C-O 3.57Å; S194-G214 WeakPolarHBondContact CA-O 3.45Å; T195-G214 PolarHBondContact N-O 2.91Å; A212-G214 WeakPolarHBondContact CB-O 3.36Å; A212-G214 PolarHBondContact O-N 3.26Å |
| 215 | D | 98.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -5.9 | 176.3 | -68.6 | -41.1 | 0 | 0 | 0 | 113.5 | N171 L172 R173 T195 D213 | N171-D215 CarbonylContact C-O 3.3Å; N171-D215 WeakPolarHBondContact CA-O 3.21Å; L172-D215 PolarHBondContact N-O 2.93Å; R173-D215 HydrophobicContact CB-CB 4.28Å; R173-D215 IonicContact CZ-OD1 2.88Å; R173-D215 IonicContact CZ-OD2 3.17Å; R173-D215 IonicContact NE-OD1 2.76Å; R173-D215 PolarHBondContact NE-OD1 3.14Å; R173-D215 IonicContact NE-OD2 3.98Å; R173-D215 PolarHBondContact NE-OD2 3.12Å; R173-D215 IonicContact NH2-OD1 3.25Å; R173-D215 PolarHBondContact NH2-OD1 3.27Å; R173-D215 IonicContact NH2-OD2 2.68Å; R173-D215 PolarHBondContact NH2-OD2 2.85Å; T195-D215 WeakPolarHBondContact CB-OD1 3.47Å; T195-D215 PolarHBondContact OG1-OD1 3.33Å; D213-D215 PolarHBondContact O-N 2.89Å |
| 216 | I | 98.8 | Very high | 97.9 | Very high | 74 Ų | 74 | 43.5 Ų | 43.5 | 38% | 0.379 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 114.9 | -175.7 | -55 | -57.9 | 0 | 0 | 0 | 110.2 | F169 N171 A212 D213 | F169-I216 HydrophobicContact CB-CG2 4.01Å; F169-I216 HydrophobicContact CD1-CG2 3.95Å; F169-I216 HydrophobicContact CG-CG2 4.42Å; N171-I216 HydrophobicContact CB-CD1 3.7Å; N171-I216 WeakPolarHBondContact ND2-CD1 3.5Å; A212-I216 WeakPolarHBondContact CB-O 3.49Å; D213-I216 PolarHBondContact N-O 2.76Å; D213-I216 PolarHBondContact O-N 3.03Å |
| 217 | M | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.5 | 176.9 | -176.8 | 161.9 | -82.7 | 0 | 0 | 111.1 | F122 P124 F169 V170 L172 F197 A210 A212 | F122-M217 HydrophobicContact CE1-CG 4.28Å; F122-M217 HydrophobicContact CE1-SD 3.98Å; F122-M217 HydrophobicContact CZ-CG 4.03Å; F122-M217 HydrophobicContact CZ-SD 4.34Å; P124-M217 HydrophobicContact CB-CE 4.26Å; P124-M217 HydrophobicContact CB-CG 4.22Å; P124-M217 HydrophobicContact CB-SD 3.35Å; P124-M217 WeakPolarHBondContact CB-SD 3.44Å; F169-M217 WeakPolarHBondContact CA-O 3.47Å; V170-M217 PolarHBondContact N-O 3.07Å; V170-M217 PolarHBondContact O-N 2.83Å; L172-M217 HydrophobicContact CD1-CB 4.1Å; L172-M217 HydrophobicContact CD1-CE 3.84Å; L172-M217 HydrophobicContact CD1-SD 4.11Å; L172-M217 HydrophobicContact CD2-CB 3.9Å; L172-M217 HydrophobicContact CD2-SD 4.1Å; L172-M217 HydrophobicContact CG-CB 3.87Å; F197-M217 HydrophobicContact CD1-CE 4.44Å; F197-M217 HydrophobicContact CD1-SD 4.39Å; F197-M217 HydrophobicContact CE1-CE 4.1Å; F197-M217 HydrophobicContact CE1-SD 3.55Å; F197-M217 VanDerWaalsContact CE1-SD 3.55Å; F197-M217 HydrophobicContact CZ-SD 4.35Å; A210-M217 HydrophobicContact CB-CE 3.93Å; A210-M217 WeakPolarHBondContact O-CE 3.33Å; A212-M217 HydrophobicContact CB-CB 4.06Å; A212-M217 HydrophobicContact CB-CE 4.36Å |
| 218 | E | 98.8 | Very high | 97.6 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 140.5 | 165.7 | -166.6 | -167.4 | 136.1 | 0 | 0 | 110.2 | K125 R129 H144 F169 I363 | K125-E218 HydrophobicContact CB-CB 4.21Å; K125-E218 VanDerWaalsContact CB-O 3.24Å; K125-E218 WeakPolarHBondContact CB-O 3.4Å; K125-E218 HydrophobicContact CD-CB 4.03Å; K125-E218 HydrophobicContact CD-CG 4.42Å; K125-E218 WeakPolarHBondContact CD-OE2 3.49Å; K125-E218 PolarHBondContact N-O 3.24Å; K125-E218 IonicContact NZ-OE2 2.88Å; K125-E218 PolarHBondContact NZ-OE2 2.96Å; R129-E218 IonicContact CZ-OE1 3.33Å; R129-E218 IonicContact NH1-OE1 3.99Å; R129-E218 PolarHBondContact NH1-OE1 2.91Å; R129-E218 IonicContact NH2-OE1 3.48Å; R129-E218 PolarHBondContact NH2-OE1 3.29Å; H144-E218 IonicContact CD2-OE1 2.65Å; H144-E218 IonicContact CE1-OE1 3.57Å; H144-E218 IonicContact NE2-OE1 3.68Å; H144-E218 PolarHBondContact NE2-OE1 3.31Å; F169-E218 HydrophobicContact CD1-CB 3.89Å; F169-E218 HydrophobicContact CD1-CG 4.11Å; F169-E218 HydrophobicContact CE1-CB 3.7Å; F169-E218 HydrophobicContact CE1-CG 3.62Å; F169-E218 HydrophobicContact CZ-CG 3.99Å; E218-I363 HydrophobicContact CG-CB 4.23Å; E218-I363 HydrophobicContact CG-CG2 3.67Å |
| 219 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | -179.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | K123 R168 | K123-G219 CarbonylContact O-C 3.51Å; K123-G219 WeakPolarHBondContact O-CA 3.1Å; R168-G219 PolarHBondContact N-O 3.42Å; R168-G219 PolarHBondContact O-N 2.9Å |
| 220 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.3 | 174.3 | 63.6 | 0 | 0 | 0 | 0 | 110 | F122 K123 H144 | F122-S220 VanDerWaalsContact CA-O 3.3Å; F122-S220 WeakPolarHBondContact CA-O 3.23Å; K123-S220 PolarHBondContact N-O 2.85Å; K123-S220 PolarHBondContact O-N 3.44Å; H144-S220 VanDerWaalsContact O-CB 3.3Å; H144-S220 WeakPolarHBondContact O-CB 3.38Å; H144-S220 PolarHBondContact O-OG 3.32Å |
| 221 | V | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 108 | M91 V120 V121 F122 V165 V166 R168 | M91-V221 HydrophobicContact CB-CG1 4.34Å; M91-V221 HydrophobicContact CE-CG1 4.08Å; M91-V221 WeakPolarHBondContact CE-O 3.48Å; V120-V221 HydrophobicContact CB-CG1 3.59Å; V120-V221 HydrophobicContact CG1-CG1 3.83Å; V120-V221 HydrophobicContact CG2-CG1 3.63Å; V121-V221 CarbonylContact O-C 3.59Å; V121-V221 WeakPolarHBondContact O-CA 3.39Å; F122-V221 HydrophobicContact CD2-CG2 4.09Å; V165-V221 WeakPolarHBondContact CA-O 3.38Å; V166-V221 HydrophobicContact CG1-CB 4.17Å; V166-V221 PolarHBondContact N-O 3.38Å; V166-V221 PolarHBondContact O-N 3.45Å; R168-V221 HydrophobicContact CB-CG2 3.69Å; R168-V221 HydrophobicContact CG-CG2 4.41Å |
| 222 | T | 98.6 | Very high | 96.8 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127 | 177.4 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | V120 V121 P163 L164 V165 | V120-T222 CarbonylContact C-O 3.57Å; V120-T222 VanDerWaalsContact CA-O 3.24Å; V120-T222 WeakPolarHBondContact CA-O 3.4Å; V120-T222 WeakPolarHBondContact CB-O 3.37Å; V121-T222 PolarHBondContact N-O 2.84Å; V121-T222 PolarHBondContact O-N 2.87Å; P163-T222 HydrophobicContact CB-CG2 3.87Å; P163-T222 HydrophobicContact CG-CG2 3.49Å; P163-T222 VanDerWaalsContact CG-CG2 3.49Å; L164-T222 WeakPolarHBondContact O-CA 3.38Å; V165-T222 HydrophobicContact CG2-CG2 4.03Å |
| 223 | L | 98.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131.6 | 179.6 | -167.4 | 65.7 | 0 | 0 | 0 | 110.6 | W64 A67 V87 M91 Q118 V120 L164 | W64-L223 HydrophobicContact CE3-CD1 4.46Å; W64-L223 HydrophobicContact CZ3-CD1 4.46Å; A67-L223 HydrophobicContact CB-CD2 3.76Å; V87-L223 HydrophobicContact CG1-CD2 4.32Å; M91-L223 HydrophobicContact CE-CB 3.78Å; M91-L223 HydrophobicContact CG-CD1 4.26Å; M91-L223 HydrophobicContact SD-CB 4Å; M91-L223 HydrophobicContact SD-CD1 4.21Å; M91-L223 HydrophobicContact SD-CG 4.48Å; Q118-L223 HydrophobicContact CG-CD1 3.49Å; Q118-L223 VanDerWaalsContact CG-CD1 3.49Å; V120-L223 HydrophobicContact CG1-CD1 4.17Å; L164-L223 HydrophobicContact CB-CB 4.16Å; L164-L223 HydrophobicContact CB-CD2 4.47Å; L164-L223 HydrophobicContact CD2-CD2 4.48Å; L164-L223 PolarHBondContact O-N 3.45Å |
| 224 | W | 97.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 48.9 Ų | 48.9 | 42% | 0.424 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 133.9 | 174 | -158.8 | -90.9 | 0 | 0 | 0 | 110.2 | L111 Q118 K119 V121 | L111-W224 HydrophobicContact CD1-CE3 4.29Å; L111-W224 HydrophobicContact CD1-CZ3 4.31Å; Q118-W224 PolarHBondContact NE2-O 3.16Å; K119-W224 HydrophobicContact CB-CB 3.62Å; K119-W224 HydrophobicContact CB-CD2 4.39Å; K119-W224 HydrophobicContact CB-CG 3.88Å; K119-W224 HydrophobicContact CD-CG 4.37Å; K119-W224 WeakPolarHBondContact O-CB 3.3Å; K119-W224 PolarHBondContact O-N 3.01Å; K119-W224 VanDerWaalsContact O-N 3.13Å; V121-W224 HydrophobicContact CG2-CE3 3.65Å; V121-W224 HydrophobicContact CG2-CZ3 3.51Å |
| 225 | L | 96.7 | Very high | 96.3 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 150.6 | 177.2 | -66.2 | 174.1 | 0 | 0 | 0 | 111.1 | V71 V76 P163 L231 F296 I306 | V71-L225 HydrophobicContact CG2-CD2 4.4Å; V76-L225 HydrophobicContact CG1-CD2 3.82Å; V76-L225 HydrophobicContact CG2-CD2 4.48Å; P163-L225 HydrophobicContact CB-CD2 4.4Å; L225-L231 HydrophobicContact CD1-CD2 4.13Å; L225-F296 HydrophobicContact CD1-CE1 4.03Å; L225-F296 HydrophobicContact CD1-CZ 4.4Å; L225-I306 HydrophobicContact CD1-CG2 4.09Å |
| 226 | P | 95.4 | Very high | 96.2 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 142.4 | -177.9 | -24.3 | 35.5 | 0 | 0 | 0 | 112.8 | A68 V71 V228 W229 | A68-P226 HydrophobicContact CB-CB 4.22Å; A68-P226 HydrophobicContact CB-CG 3.64Å; V71-P226 HydrophobicContact CB-CG 4.38Å; V71-P226 HydrophobicContact CG2-CG 3.99Å; P226-V228 HydrophobicContact CB-CG2 3.83Å; P226-V228 PolarHBondContact O-N 3.17Å; P226-V228 VanDerWaalsContact O-N 3.11Å; P226-W229 PolarHBondContact O-N 3.2Å |
| 227 | D | 93.6 | Very high | 96.2 | Very high | 124 Ų | 124 | 53 Ų | 53 | 66% | 0.663 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.7 | -178.5 | -69.9 | -26.6 | 0 | 0 | 0 | 112.8 | K119 W229 | K119-D227 IonicContact NZ-OD1 2.7Å; K119-D227 IonicContact NZ-OD2 2.78Å; D227-W229 PolarHBondContact O-N 3.11Å |
| 228 | V | 93.2 | Very high | 96.2 | Very high | 116 Ų | 116 | 53.7 Ų | 53.7 | 70% | 0.703 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -13.5 | 173.1 | -62.8 | 0 | 0 | 0 | 0 | 113.5 | P226 P230 | P226-V228 HydrophobicContact CB-CG2 3.83Å; P226-V228 PolarHBondContact O-N 3.17Å; P226-V228 VanDerWaalsContact O-N 3.11Å; V228-P230 WeakPolarHBondContact O-CD 3.36Å |
| 229 | W | 93.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 53 Ų | 53 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -114.6 | 69 | 179.1 | -69.3 | 118.6 | 0 | 0 | 0 | 110.8 | V71 P73 P226 D227 F296 | V71-W229 HydrophobicContact CG1-CB 4.47Å; V71-W229 HydrophobicContact CG1-CD2 4.31Å; V71-W229 HydrophobicContact CG1-CG 3.84Å; V71-W229 VanDerWaalsContact O-CE2 3.31Å; V71-W229 WeakPolarHBondContact O-CZ2 3.36Å; V71-W229 PolarHBondContact O-NE1 2.98Å; P73-W229 HydrophobicContact CG-CH2 3.71Å; P73-W229 HydrophobicContact CG-CZ3 3.98Å; P226-W229 PolarHBondContact O-N 3.2Å; D227-W229 PolarHBondContact O-N 3.11Å; W229-F296 HydrophobicContact CB-CD1 3.58Å; W229-F296 HydrophobicContact CB-CE1 3.54Å; W229-F296 HydrophobicContact CB-CG 4.29Å; W229-F296 HydrophobicContact CB-CZ 4.21Å; W229-F296 HydrophobicContact CD2-CD2 4.49Å; W229-F296 HydrophobicContact CD2-CG 4.44Å; W229-F296 HydrophobicContact CE3-CB 4.01Å; W229-F296 HydrophobicContact CE3-CD1 4.32Å; W229-F296 AromaticContact CE3-CD2 4Å; W229-F296 HydrophobicContact CE3-CD2 4Å; W229-F296 AromaticContact CE3-CG 3.85Å; W229-F296 HydrophobicContact CE3-CG 3.85Å; W229-F296 HydrophobicContact CG-CD1 4.33Å; W229-F296 HydrophobicContact CG-CE1 4.21Å; W229-F296 HydrophobicContact CG-CZ 4.44Å |
| 230 | P | 93.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | trans | -64.6 | 140.1 | -179.2 | 27.4 | -34 | 0 | 0 | 0 | 111.1 | V228 F296 Q297 | V228-P230 WeakPolarHBondContact O-CD 3.36Å; P230-F296 WeakPolarHBondContact O-CA 3.47Å; P230-Q297 HydrophobicContact CB-CG 4.47Å; P230-Q297 HydrophobicContact CG-CB 4.16Å; P230-Q297 HydrophobicContact CG-CG 4.41Å; P230-Q297 PolarHBondContact O-N 2.79Å | ||
| 231 | L | 93.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 138.6 | -177.3 | -61.9 | 172.8 | 0 | 0 | 0 | 111.9 | L225 E294 S295 F296 Q297 I306 L308 | L225-L231 HydrophobicContact CD1-CD2 4.13Å; L231-E294 HydrophobicContact CB-CB 4.41Å; L231-E294 HydrophobicContact CB-CG 4.43Å; L231-E294 HydrophobicContact CD1-CG 4.47Å; L231-E294 HydrophobicContact CD2-CB 4.32Å; L231-S295 CarbonylContact C-O 3.59Å; L231-S295 VanDerWaalsContact CA-O 3.32Å; L231-S295 WeakPolarHBondContact CA-O 3.44Å; L231-F296 HydrophobicContact CD2-CD1 3.83Å; L231-F296 HydrophobicContact CD2-CE1 3.88Å; L231-Q297 PolarHBondContact O-NE2 3.06Å; L231-I306 HydrophobicContact CD2-CG1 4.18Å; L231-L308 HydrophobicContact CD1-CD1 3.52Å |
| 232 | Q | 93.1 | Very high | 95.3 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.6 | 167.1 | -165.9 | 178.6 | 16.1 | 0 | 0 | 109.5 | H234 E294 S295 Q297 | Q232-H234 VanDerWaalsContact CD-CE1 3.41Å; Q232-H234 PolarHBondContact O-CD2 3.19Å; Q232-H234 PolarHBondContact OE1-CE1 3.44Å; Q232-H234 VanDerWaalsContact OE1-CE1 3.3Å; Q232-H234 PolarHBondContact OE1-NE2 3.31Å; Q232-E294 CarbonylContact O-C 3.49Å; Q232-E294 VanDerWaalsContact O-CA 3.24Å; Q232-E294 WeakPolarHBondContact O-CA 3.48Å; Q232-S295 PolarHBondContact N-O 3.4Å; Q232-S295 PolarHBondContact O-N 3.23Å; Q232-Q297 HydrophobicContact CB-CG 3.77Å |
| 233 | K | 93.5 | Very high | 95 | Very high | 130 Ų | 130 | 67.7 Ų | 67.7 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.5 | 178 | -172.5 | 174.7 | -175.9 | 171.7 | 0 | 111.2 | H292 | K233-H292 VanDerWaalsContact CE-CB 3.46Å; K233-H292 WeakPolarHBondContact CE-CD2 3.3Å; K233-H292 HydrophobicContact CG-CB 4.26Å |
| 234 | H | 94.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 76.4 Ų | 76.4 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.8 | 179 | -58.8 | -84.5 | 0 | 0 | 0 | 110.5 | Q232 R271 H292 Y293 S295 | Q232-H234 VanDerWaalsContact CD-CE1 3.41Å; Q232-H234 PolarHBondContact O-CD2 3.19Å; Q232-H234 PolarHBondContact OE1-CE1 3.44Å; Q232-H234 VanDerWaalsContact OE1-CE1 3.3Å; Q232-H234 PolarHBondContact OE1-NE2 3.31Å; H234-R271 PolarHBondContact NE2-NH1 3.17Å; H234-H292 CarbonylContact O-C 3.57Å; H234-H292 WeakPolarHBondContact O-CA 3.46Å; H234-H292 VanDerWaalsContact O-CB 3.3Å; H234-H292 WeakPolarHBondContact O-CB 3.2Å; H234-H292 PolarHBondContact O-CD2 3.15Å; H234-Y293 HydrophobicContact CB-CD1 3.94Å; H234-Y293 HydrophobicContact CB-CD2 4Å; H234-Y293 HydrophobicContact CB-CE1 3.47Å; H234-Y293 VanDerWaalsContact CB-CE1 3.47Å; H234-Y293 HydrophobicContact CB-CE2 3.56Å; H234-Y293 HydrophobicContact CB-CG 4.19Å; H234-Y293 AromaticContact CD2-CD2 3.99Å; H234-Y293 AromaticContact CD2-CE2 3.5Å; H234-Y293 VanDerWaalsContact CD2-CE2 3.5Å; H234-Y293 WeakPolarHBondContact CD2-CE2 3.49Å; H234-Y293 AromaticContact CG-CE2 3.63Å; H234-Y293 AromaticContact CG-CZ 3.65Å; H234-Y293 PolarHBondContact N-O 2.66Å; H234-Y293 PolarHBondContact O-N 3.46Å; H234-S295 PolarHBondContact NE2-OG 2.82Å |
| 235 | R | 96.1 | Very high | 94.3 | Very high | 190 Ų | 190 | 75.3 Ų | 75.3 | 72% | 0.717 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.6 | 170.1 | -174.3 | 176 | 179.7 | -173 | -1.4 | 109.1 | ||
| 236 | H | 97.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 79.8 Ų | 79.8 | 5% | 0.051 | 40% | 0.398 | C | S | . | . | trans | -71.1 | 129 | 177.5 | -160.9 | -82.8 | 0 | 0 | 0 | 110.1 | W238 G239 R290 H291 Y293 | H236-W238 VanDerWaalsContact C-N 3.29Å; H236-W238 PolarHBondContact ND1-N 2.93Å; H236-W238 VanDerWaalsContact ND1-N 3.19Å; H236-W238 PolarHBondContact O-N 3.3Å; H236-G239 PolarHBondContact O-N 2.94Å; H236-R290 WeakPolarHBondContact CB-O 3.45Å; H236-H291 WeakPolarHBondContact CB-O 3.4Å; H236-H291 PolarHBondContact N-O 2.88Å; H236-Y293 HydrophobicContact CB-CD1 4.4Å; H236-Y293 AromaticContact CD2-CD1 3.93Å | ||
| 237 | P | 97.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 83.9 Ų | 83.9 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -39.1 | -179.7 | -21.7 | 32.3 | 0 | 0 | 0 | 112.1 | G239 Y256 V260 Y266 I275 | P237-G239 PolarHBondContact O-N 3.48Å; P237-Y256 HydrophobicContact CB-CE1 4.43Å; P237-Y256 PolarHBondContact O-OH 3.44Å; P237-V260 HydrophobicContact CB-CG1 4.44Å; P237-V260 HydrophobicContact CB-CG2 4.19Å; P237-Y266 HydrophobicContact CG-CD2 4.24Å; P237-Y266 HydrophobicContact CG-CE1 3.99Å; P237-Y266 HydrophobicContact CG-CE2 3.52Å; P237-Y266 WeakPolarHBondContact CG-OH 3.19Å; P237-I275 HydrophobicContact CG-CD1 3.94Å |
| 238 | W | 98.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 78.4 Ų | 78.4 | 6% | 0.057 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 24.4 | 172.3 | -67.5 | -97.6 | 0 | 0 | 0 | 113.8 | H236 W250 Y256 C257 V260 L272 I275 P327 C331 | H236-W238 VanDerWaalsContact C-N 3.29Å; H236-W238 PolarHBondContact ND1-N 2.93Å; H236-W238 VanDerWaalsContact ND1-N 3.19Å; H236-W238 PolarHBondContact O-N 3.3Å; W238-W250 VanDerWaalsContact C-NE1 3.31Å; W238-W250 HydrophobicContact CB-CD2 4.43Å; W238-W250 HydrophobicContact CB-CG 4.38Å; W238-W250 AromaticContact CD1-CD2 3.81Å; W238-W250 AromaticContact CD1-CG 3.64Å; W238-W250 HydrophobicContact CG-CB 4.42Å; W238-W250 HydrophobicContact CG-CG 4.25Å; W238-W250 PolarHBondContact O-NE1 3.31Å; W238-Y256 HydrophobicContact CD2-CE1 4.09Å; W238-Y256 AromaticContact CE2-CD1 3.76Å; W238-Y256 AromaticContact CE2-CE1 3.74Å; W238-Y256 HydrophobicContact CG-CE1 4.42Å; W238-Y256 AromaticContact CZ2-CD1 3.92Å; W238-Y256 HydrophobicContact CZ2-CD1 3.92Å; W238-Y256 HydrophobicContact CZ2-CE1 4.03Å; W238-Y256 AromaticContact NE1-CD1 3.64Å; W238-Y256 AromaticContact NE1-CE1 3.88Å; W238-C257 HydrophobicContact CZ2-CB 4.03Å; W238-V260 HydrophobicContact CH2-CB 4.04Å; W238-V260 HydrophobicContact CH2-CG1 3.79Å; W238-V260 HydrophobicContact CH2-CG2 3.95Å; W238-V260 HydrophobicContact CZ2-CG2 4.28Å; W238-V260 HydrophobicContact CZ3-CG1 3.99Å; W238-V260 HydrophobicContact CZ3-CG2 4.4Å; W238-L272 HydrophobicContact CH2-CD1 4.05Å; W238-L272 HydrophobicContact CZ3-CD1 4.2Å; W238-I275 HydrophobicContact CE3-CG2 3.96Å; W238-I275 HydrophobicContact CZ3-CG2 3.91Å; W238-P327 HydrophobicContact CB-CG 4.18Å; W238-P327 HydrophobicContact CD2-CB 4.12Å; W238-P327 HydrophobicContact CD2-CG 3.6Å; W238-P327 HydrophobicContact CE3-CB 4.12Å; W238-P327 HydrophobicContact CE3-CG 3.8Å; W238-P327 HydrophobicContact CG-CG 3.75Å; W238-P327 HydrophobicContact CH2-CB 4.42Å; W238-P327 HydrophobicContact CZ2-CB 4.39Å; W238-P327 HydrophobicContact CZ3-CB 4.28Å; W238-P327 HydrophobicContact CZ3-CG 4.45Å; W238-C331 VanDerWaalsContact CH2-SG 3.59Å |
| 239 | G | 96.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 78.9 Ų | 78.9 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | trans | -64.7 | 135.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H236 P237 W250 | H236-G239 PolarHBondContact O-N 2.94Å; P237-G239 PolarHBondContact O-N 3.48Å; G239-W250 PolarHBondContact O-NE1 2.94Å; G239-W250 VanDerWaalsContact O-NE1 3.1Å | ||
| 240 | R | 95.5 | Very high | 94.8 | Very high | 38 Ų | 38 | 76.4 Ų | 76.4 | 14% | 0.143 | 37% | 0.369 | C | S | . | . | trans | -67.7 | 163.2 | 173.3 | -64.2 | 177.9 | -171.6 | -80.5 | -0.4 | 111.7 | Y242 W250 A288 S323 | R240-Y242 HydrophobicContact CB-CD2 4.26Å; R240-Y242 HydrophobicContact CB-CE1 4.46Å; R240-Y242 HydrophobicContact CB-CE2 3.88Å; R240-Y242 WeakPolarHBondContact O-CD2 3.45Å; R240-Y242 WeakPolarHBondContact O-CE2 3.22Å; R240-W250 HydrophobicContact CG-CZ2 4.07Å; R240-A288 PolarHBondContact NE-O 3.33Å; R240-A288 VanDerWaalsContact NE-O 3.08Å; R240-S323 PolarHBondContact NH1-OG 3.38Å; R240-S323 PolarHBondContact NH2-OG 2.93Å | ||
| 241 | T | 93.5 | Very high | 95 | Very high | 40 Ų | 40 | 76.9 Ų | 76.9 | 25% | 0.245 | 37% | 0.367 | C | S | . | . | trans | -82.9 | -24.5 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | R243 K246 A248 | T241-R243 PolarHBondContact O-N 3.16Å; T241-R243 PolarHBondContact OG1-N 3.01Å; T241-K246 WeakPolarHBondContact CB-O 3.26Å; T241-K246 HydrophobicContact CG2-CD 4.39Å; T241-K246 HydrophobicContact CG2-CG 4.2Å; T241-K246 VanDerWaalsContact CG2-O 3.31Å; T241-K246 WeakPolarHBondContact CG2-O 3.31Å; T241-K246 PolarHBondContact OG1-O 3.37Å; T241-A248 HydrophobicContact CG2-CB 3.9Å | ||
| 242 | Y | 91.6 | Very high | 95.1 | Very high | 75 Ų | 75 | 81 Ų | 81 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | trans | 53.2 | 29.6 | -171.7 | -55.6 | -85.8 | 0 | 0 | 0 | 113.1 | Y138 R240 D289 H291 | Y138-Y242 AromaticContact CD1-CD1 3.93Å; Y138-Y242 HydrophobicContact CD1-CD1 3.93Å; Y138-Y242 AromaticContact CD1-CE1 3.72Å; Y138-Y242 HydrophobicContact CD1-CE1 3.72Å; Y138-Y242 AromaticContact CD2-CD1 3.91Å; Y138-Y242 HydrophobicContact CD2-CD1 3.91Å; Y138-Y242 HydrophobicContact CD2-CE1 4.03Å; Y138-Y242 AromaticContact CE1-CD1 3.83Å; Y138-Y242 HydrophobicContact CE1-CD1 3.83Å; Y138-Y242 HydrophobicContact CE1-CE1 4.1Å; Y138-Y242 AromaticContact CE2-CD1 3.83Å; Y138-Y242 HydrophobicContact CE2-CD1 3.83Å; Y138-Y242 HydrophobicContact CE2-CE1 4.39Å; Y138-Y242 AromaticContact CG-CD1 3.96Å; Y138-Y242 HydrophobicContact CG-CD1 3.96Å; Y138-Y242 AromaticContact CG-CE1 3.68Å; Y138-Y242 HydrophobicContact CG-CE1 3.68Å; Y138-Y242 AromaticContact CZ-CD1 3.77Å; R240-Y242 HydrophobicContact CB-CD2 4.26Å; R240-Y242 HydrophobicContact CB-CE1 4.46Å; R240-Y242 HydrophobicContact CB-CE2 3.88Å; R240-Y242 WeakPolarHBondContact O-CD2 3.45Å; R240-Y242 WeakPolarHBondContact O-CE2 3.22Å; Y242-D289 WeakPolarHBondContact CE1-OD1 3.22Å; Y242-D289 PolarHBondContact OH-OD1 3.45Å; Y242-H291 HydrophobicContact CE2-CB 3.65Å; Y242-H291 AromaticContact CE2-CD2 3.88Å; Y242-H291 AromaticContact CZ-CD2 3.78Å; Y242-H291 WeakPolarHBondContact OH-CB 3.16Å | ||
| 243 | R | 91.9 | Very high | 95.3 | Very high | 172 Ų | 172 | 78 Ų | 78 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -130.1 | 121.5 | 179.9 | -69.4 | -178.1 | -170.9 | -165 | 1.4 | 109 | T241 G245 K246 | T241-R243 PolarHBondContact O-N 3.16Å; T241-R243 PolarHBondContact OG1-N 3.01Å; R243-G245 PolarHBondContact O-N 3.2Å; R243-K246 HydrophobicContact CB-CB 3.99Å; R243-K246 PolarHBondContact O-N 2.91Å; R243-K246 VanDerWaalsContact O-N 3.12Å |
| 244 | E | 89.1 | Confident | 95.3 | Very high | 202 Ų | 202 | 80.8 Ų | 80.8 | 94% | 0.944 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 135.8 | 175.6 | -168 | 178.9 | 179.9 | 0 | 0 | 110.8 | K246 | E244-K246 PolarHBondContact O-N 3.1Å; E244-K246 VanDerWaalsContact O-N 3.17Å |
| 245 | G | 90.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 82.4 Ų | 82.4 | 92% | 0.918 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 3.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R243 | R243-G245 PolarHBondContact O-N 3.2Š|
| 246 | K | 95.2 | Very high | 95.5 | Very high | 115 Ų | 115 | 74.9 Ų | 74.9 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | trans | -115.2 | 107.7 | 178.5 | -170.8 | -177.8 | -179.5 | 173.1 | 0 | 111.6 | T241 R243 E244 | T241-K246 WeakPolarHBondContact CB-O 3.26Å; T241-K246 HydrophobicContact CG2-CD 4.39Å; T241-K246 HydrophobicContact CG2-CG 4.2Å; T241-K246 VanDerWaalsContact CG2-O 3.31Å; T241-K246 WeakPolarHBondContact CG2-O 3.31Å; T241-K246 PolarHBondContact OG1-O 3.37Å; R243-K246 HydrophobicContact CB-CB 3.99Å; R243-K246 PolarHBondContact O-N 2.91Å; R243-K246 VanDerWaalsContact O-N 3.12Å; E244-K246 PolarHBondContact O-N 3.1Å; E244-K246 VanDerWaalsContact O-N 3.17Å | ||
| 247 | L | 95.4 | Very high | 95.5 | Very high | 110 Ų | 110 | 74.4 Ų | 74.4 | 58% | 0.576 | 37% | 0.365 | S | S | * | . | trans | -73.4 | 145.3 | 173.6 | -59.2 | 178.8 | 0 | 0 | 0 | 112.2 | E251 Y252 | L247-E251 WeakPolarHBondContact CA-OE2 3.49Å; L247-E251 HydrophobicContact CB-CB 4.34Å; L247-E251 WeakPolarHBondContact CB-OE2 3.05Å; L247-E251 VanDerWaalsContact CD2-OE2 3.3Å; L247-E251 WeakPolarHBondContact CD2-OE2 3.43Å; L247-Y252 HydrophobicContact CB-CD1 4.04Å | ||
| 248 | A | 97.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 77.4 Ų | 77.4 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | trans | -76.6 | 154.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | T241 W250 E251 Y252 | T241-A248 HydrophobicContact CG2-CB 3.9Å; A248-W250 VanDerWaalsContact C-N 3.25Å; A248-W250 VanDerWaalsContact CB-CD1 3.5Å; A248-W250 HydrophobicContact CB-CD2 4.43Å; A248-W250 HydrophobicContact CB-CG 4.24Å; A248-W250 HydrophobicContact CB-CZ2 4.47Å; A248-W250 PolarHBondContact O-N 3.45Å; A248-E251 HydrophobicContact CB-CG 4.22Å; A248-E251 PolarHBondContact N-OE2 3.14Å; A248-E251 WeakPolarHBondContact O-CB 3.31Å; A248-E251 PolarHBondContact O-N 3.17Å; A248-Y252 VanDerWaalsContact O-CD1 3.26Å; A248-Y252 WeakPolarHBondContact O-CD1 3.21Å; A248-Y252 WeakPolarHBondContact O-CE1 3.41Å | ||
| 249 | R | 97.6 | Very high | 95.5 | Very high | 126 Ų | 126 | 78.3 Ų | 78.3 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56 | -41.5 | -178.1 | -174.7 | 179.6 | 168.6 | -177.8 | -2.6 | 112.7 | E251 Y252 D253 Y256 | R249-E251 PolarHBondContact O-N 3.43Å; R249-Y252 VanDerWaalsContact CA-CE1 3.47Å; R249-Y252 HydrophobicContact CB-CE1 4.46Å; R249-Y252 HydrophobicContact CG-CE2 4.44Å; R249-Y252 PolarHBondContact O-N 3.42Å; R249-D253 HydrophobicContact CG-CB 4.02Å; R249-D253 IonicContact CZ-OD2 3.28Å; R249-D253 VanDerWaalsContact CZ-OD2 3.28Å; R249-D253 IonicContact NE-OD2 2.84Å; R249-D253 PolarHBondContact NE-OD2 2.95Å; R249-D253 IonicContact NH2-OD2 2.84Å; R249-D253 PolarHBondContact NH2-OD2 3.39Å; R249-D253 VanDerWaalsContact O-CB 3.26Å; R249-D253 WeakPolarHBondContact O-CB 3.3Å; R249-D253 PolarHBondContact O-N 3.07Å; R249-Y256 HydrophobicContact CB-CD2 4.16Å; R249-Y256 HydrophobicContact CB-CE2 4.04Å; R249-Y256 HydrophobicContact CG-CD2 3.8Å; R249-Y256 HydrophobicContact CG-CE2 4.08Å |
| 250 | W | 98.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 78.1 Ų | 78.1 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.2 | -16.5 | -179.6 | 64.4 | -100.4 | 0 | 0 | 0 | 113.8 | W238 G239 R240 A248 Y256 A326 Q330 | W238-W250 VanDerWaalsContact C-NE1 3.31Å; W238-W250 HydrophobicContact CB-CD2 4.43Å; W238-W250 HydrophobicContact CB-CG 4.38Å; W238-W250 AromaticContact CD1-CD2 3.81Å; W238-W250 AromaticContact CD1-CG 3.64Å; W238-W250 HydrophobicContact CG-CB 4.42Å; W238-W250 HydrophobicContact CG-CG 4.25Å; W238-W250 PolarHBondContact O-NE1 3.31Å; G239-W250 PolarHBondContact O-NE1 2.94Å; G239-W250 VanDerWaalsContact O-NE1 3.1Å; R240-W250 HydrophobicContact CG-CZ2 4.07Å; A248-W250 VanDerWaalsContact C-N 3.25Å; A248-W250 VanDerWaalsContact CB-CD1 3.5Å; A248-W250 HydrophobicContact CB-CD2 4.43Å; A248-W250 HydrophobicContact CB-CG 4.24Å; A248-W250 HydrophobicContact CB-CZ2 4.47Å; A248-W250 PolarHBondContact O-N 3.45Å; W250-Y256 HydrophobicContact CB-CD1 3.37Å; W250-Y256 HydrophobicContact CB-CD2 4.11Å; W250-Y256 HydrophobicContact CB-CE1 3.58Å; W250-Y256 HydrophobicContact CB-CE2 4.29Å; W250-Y256 HydrophobicContact CB-CG 3.66Å; W250-A326 HydrophobicContact CE3-CB 3.84Å; W250-A326 HydrophobicContact CZ3-CB 3.95Å; W250-Q330 PolarHBondContact O-NE2 3.29Å |
| 251 | E | 97.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 79.8 Ų | 79.8 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -80.6 | -20.2 | 179.8 | -66.9 | 172.4 | 159.5 | 0 | 0 | 112.7 | L247 A248 R249 | L247-E251 WeakPolarHBondContact CA-OE2 3.49Å; L247-E251 HydrophobicContact CB-CB 4.34Å; L247-E251 WeakPolarHBondContact CB-OE2 3.05Å; L247-E251 VanDerWaalsContact CD2-OE2 3.3Å; L247-E251 WeakPolarHBondContact CD2-OE2 3.43Å; A248-E251 HydrophobicContact CB-CG 4.22Å; A248-E251 PolarHBondContact N-OE2 3.14Å; A248-E251 WeakPolarHBondContact O-CB 3.31Å; A248-E251 PolarHBondContact O-N 3.17Å; R249-E251 PolarHBondContact O-N 3.43Å |
| 252 | Y | 96.4 | Very high | 95.8 | Very high | 153 Ų | 153 | 85.9 Ų | 85.9 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -128.2 | -14.5 | -177.8 | 65.8 | -99.8 | 0 | 0 | 0 | 114.9 | L247 A248 R249 | L247-Y252 HydrophobicContact CB-CD1 4.04Å; A248-Y252 VanDerWaalsContact O-CD1 3.26Å; A248-Y252 WeakPolarHBondContact O-CD1 3.21Å; A248-Y252 WeakPolarHBondContact O-CE1 3.41Å; R249-Y252 VanDerWaalsContact CA-CE1 3.47Å; R249-Y252 HydrophobicContact CB-CE1 4.46Å; R249-Y252 HydrophobicContact CG-CE2 4.44Å; R249-Y252 PolarHBondContact O-N 3.42Å |
| 253 | D | 97.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 85.9 Ų | 85.9 | 14% | 0.139 | 43% | 0.426 | C | S | . | . | trans | -94.9 | 102.1 | 177 | -177.2 | -5.6 | 0 | 0 | 0 | 109.8 | R249 S255 Y256 | R249-D253 HydrophobicContact CG-CB 4.02Å; R249-D253 IonicContact CZ-OD2 3.28Å; R249-D253 VanDerWaalsContact CZ-OD2 3.28Å; R249-D253 IonicContact NE-OD2 2.84Å; R249-D253 PolarHBondContact NE-OD2 2.95Å; R249-D253 IonicContact NH2-OD2 2.84Å; R249-D253 PolarHBondContact NH2-OD2 3.39Å; R249-D253 VanDerWaalsContact O-CB 3.26Å; R249-D253 WeakPolarHBondContact O-CB 3.3Å; R249-D253 PolarHBondContact O-N 3.07Å; D253-S255 PolarHBondContact O-N 3Å; D253-S255 WeakPolarHBondContact OD1-CA 3.41Å; D253-S255 PolarHBondContact OD1-N 2.82Å; D253-S255 PolarHBondContact OD1-OG 3.42Å; D253-Y256 WeakPolarHBondContact O-CB 3.36Å; D253-Y256 PolarHBondContact O-N 2.95Å; D253-Y256 PolarHBondContact OD1-N 3.48Å | ||
| 254 | E | 93.1 | Very high | 95.9 | Very high | 189 Ų | 189 | 81.8 Ų | 81.8 | 88% | 0.883 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.4 | 178.8 | -64.8 | -174.6 | 167.9 | 0 | 0 | 112.9 | ||
| 255 | S | 96.1 | Very high | 96.1 | Very high | 63 Ų | 63 | 74.4 Ų | 74.4 | 44% | 0.441 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 11.6 | 177.6 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | D253 C257 D258 | D253-S255 PolarHBondContact O-N 3Å; D253-S255 WeakPolarHBondContact OD1-CA 3.41Å; D253-S255 PolarHBondContact OD1-N 2.82Å; D253-S255 PolarHBondContact OD1-OG 3.42Å; S255-C257 VanDerWaalsContact C-N 3.3Å; S255-C257 PolarHBondContact O-N 2.92Å; S255-D258 WeakPolarHBondContact O-CB 3.4Å; S255-D258 PolarHBondContact O-N 3.38Å |
| 256 | Y | 98.5 | Very high | 96.2 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 13% | 0.125 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.1 | -43.2 | -173.2 | -179.1 | -102.2 | 0 | 0 | 0 | 113 | P237 W238 R249 W250 D253 D258 A259 V260 | P237-Y256 HydrophobicContact CB-CE1 4.43Å; P237-Y256 PolarHBondContact O-OH 3.44Å; W238-Y256 HydrophobicContact CD2-CE1 4.09Å; W238-Y256 AromaticContact CE2-CD1 3.76Å; W238-Y256 AromaticContact CE2-CE1 3.74Å; W238-Y256 HydrophobicContact CG-CE1 4.42Å; W238-Y256 AromaticContact CZ2-CD1 3.92Å; W238-Y256 HydrophobicContact CZ2-CD1 3.92Å; W238-Y256 HydrophobicContact CZ2-CE1 4.03Å; W238-Y256 AromaticContact NE1-CD1 3.64Å; W238-Y256 AromaticContact NE1-CE1 3.88Å; R249-Y256 HydrophobicContact CB-CD2 4.16Å; R249-Y256 HydrophobicContact CB-CE2 4.04Å; R249-Y256 HydrophobicContact CG-CD2 3.8Å; R249-Y256 HydrophobicContact CG-CE2 4.08Å; W250-Y256 HydrophobicContact CB-CD1 3.37Å; W250-Y256 HydrophobicContact CB-CD2 4.11Å; W250-Y256 HydrophobicContact CB-CE1 3.58Å; W250-Y256 HydrophobicContact CB-CE2 4.29Å; W250-Y256 HydrophobicContact CB-CG 3.66Å; D253-Y256 WeakPolarHBondContact O-CB 3.36Å; D253-Y256 PolarHBondContact O-N 2.95Å; D253-Y256 PolarHBondContact OD1-N 3.48Å; Y256-D258 VanDerWaalsContact C-N 3.27Å; Y256-D258 PolarHBondContact O-N 2.75Å; Y256-A259 WeakPolarHBondContact O-CB 3.49Å; Y256-A259 PolarHBondContact O-N 3.3Å; Y256-A259 VanDerWaalsContact O-N 3.15Å; Y256-V260 HydrophobicContact CD1-CG2 3.91Å; Y256-V260 HydrophobicContact CE1-CG2 3.42Å; Y256-V260 VanDerWaalsContact CE1-CG2 3.42Å; Y256-V260 PolarHBondContact O-N 2.95Å; Y256-V260 VanDerWaalsContact O-N 3.16Å |
| 257 | C | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.8 | -29.8 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | W238 S255 A259 V260 K261 Q330 C331 | W238-C257 HydrophobicContact CZ2-CB 4.03Å; S255-C257 VanDerWaalsContact C-N 3.3Å; S255-C257 PolarHBondContact O-N 2.92Å; C257-A259 PolarHBondContact O-N 3.09Å; C257-V260 PolarHBondContact O-N 2.96Å; C257-V260 VanDerWaalsContact O-N 3.08Å; C257-K261 WeakPolarHBondContact O-CB 3.42Å; C257-K261 WeakPolarHBondContact O-CG 3.4Å; C257-K261 PolarHBondContact O-N 2.93Å; C257-Q330 HydrophobicContact CB-CB 3.88Å; C257-C331 HydrophobicContact CB-CB 4.05Å; C257-C331 WeakPolarHBondContact CB-SG 3.06Å; C257-C331 WeakPolarHBondContact SG-CA 3.42Å; C257-C331 WeakPolarHBondContact SG-CB 3.27Å; C257-C331 CovalentContact SG-SG 2.02Å; C257-C331 PolarHBondContact SG-SG 3.15Å |
| 258 | D | 97.7 | Very high | 95.7 | Very high | 84 Ų | 84 | 68.3 Ų | 68.3 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -30.4 | 177 | -65.8 | -26.6 | 0 | 0 | 0 | 112.2 | S255 Y256 K262 | S255-D258 WeakPolarHBondContact O-CB 3.4Å; S255-D258 PolarHBondContact O-N 3.38Å; Y256-D258 VanDerWaalsContact C-N 3.27Å; Y256-D258 PolarHBondContact O-N 2.75Å; D258-K262 WeakPolarHBondContact O-CD 3.24Å; D258-K262 WeakPolarHBondContact O-CG 3.44Å |
| 259 | A | 97.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.6 | -40 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y256 C257 K262 T263 | Y256-A259 WeakPolarHBondContact O-CB 3.49Å; Y256-A259 PolarHBondContact O-N 3.3Å; Y256-A259 VanDerWaalsContact O-N 3.15Å; C257-A259 PolarHBondContact O-N 3.09Å; A259-K262 PolarHBondContact O-N 3.4Å; A259-T263 PolarHBondContact O-OG1 3.3Å |
| 260 | V | 98.1 | Very high | 95 | Very high | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | P237 W238 Y256 C257 K262 T263 Y266 L272 | P237-V260 HydrophobicContact CB-CG1 4.44Å; P237-V260 HydrophobicContact CB-CG2 4.19Å; W238-V260 HydrophobicContact CH2-CB 4.04Å; W238-V260 HydrophobicContact CH2-CG1 3.79Å; W238-V260 HydrophobicContact CH2-CG2 3.95Å; W238-V260 HydrophobicContact CZ2-CG2 4.28Å; W238-V260 HydrophobicContact CZ3-CG1 3.99Å; W238-V260 HydrophobicContact CZ3-CG2 4.4Å; Y256-V260 HydrophobicContact CD1-CG2 3.91Å; Y256-V260 HydrophobicContact CE1-CG2 3.42Å; Y256-V260 VanDerWaalsContact CE1-CG2 3.42Å; Y256-V260 PolarHBondContact O-N 2.95Å; Y256-V260 VanDerWaalsContact O-N 3.16Å; C257-V260 PolarHBondContact O-N 2.96Å; C257-V260 VanDerWaalsContact O-N 3.08Å; V260-K262 PolarHBondContact O-N 2.89Å; V260-T263 PolarHBondContact O-N 2.78Å; V260-Y266 HydrophobicContact CG1-CD2 3.79Å; V260-Y266 HydrophobicContact CG1-CG 3.82Å; V260-Y266 WeakPolarHBondContact O-CB 3.5Å; V260-L272 HydrophobicContact CG1-CD1 4.19Å |
| 261 | K | 96.9 | Very high | 94.8 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -11.6 | 176.7 | -75.9 | 175.9 | 178.1 | 176.2 | 0 | 114.5 | C257 D267 L272 C331 | C257-K261 WeakPolarHBondContact O-CB 3.42Å; C257-K261 WeakPolarHBondContact O-CG 3.4Å; C257-K261 PolarHBondContact O-N 2.93Å; K261-D267 VanDerWaalsContact O-CA 3.3Å; K261-D267 WeakPolarHBondContact O-CA 3.49Å; K261-L272 HydrophobicContact CG-CD2 3.59Å; K261-C331 PolarHBondContact NZ-O 2.85Å |
| 262 | K | 96.9 | Very high | 94.7 | Very high | 168 Ų | 168 | 62 Ų | 62 | 73% | 0.73 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 5.5 | 178.5 | -63.7 | 171.1 | -172.1 | 170.1 | 0 | 113 | D258 A259 V260 | D258-K262 WeakPolarHBondContact O-CD 3.24Å; D258-K262 WeakPolarHBondContact O-CG 3.44Å; A259-K262 PolarHBondContact O-N 3.4Å; V260-K262 PolarHBondContact O-N 2.89Å |
| 263 | T | 95 | Very high | 94.8 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -117.9 | 122.1 | -173.7 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | A259 V260 Y266 D267 | A259-T263 PolarHBondContact O-OG1 3.3Å; V260-T263 PolarHBondContact O-N 2.78Å; T263-Y266 WeakPolarHBondContact O-CA 3.3Å; T263-Y266 WeakPolarHBondContact O-CB 3.44Å; T263-Y266 WeakPolarHBondContact O-CD2 3.49Å; T263-Y266 PolarHBondContact O-N 2.96Å; T263-D267 PolarHBondContact O-N 2.73Å |
| 264 | S | 91.9 | Very high | 94.7 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 139.6 | 171.7 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | D267 | S264-D267 WeakPolarHBondContact CA-OD1 3.24Å; S264-D267 PolarHBondContact N-OD2 3.41Å |
| 265 | P | 91.5 | Very high | 95 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 31% | 0.305 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92 | 19.6 | 3 | 37.7 | -37.7 | 0 | 0 | 0 | 114.4 | R271 | P265-R271 HydrophobicContact CG-CG 4.13Å; P265-R271 WeakPolarHBondContact O-CB 3.29Å |
| 266 | Y | 93.7 | Very high | 95.1 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -94.3 | -8.1 | -174 | -45.6 | -63.5 | 0 | 0 | 0 | 113.9 | P237 V260 T263 S268 R271 I275 Y293 | P237-Y266 HydrophobicContact CG-CD2 4.24Å; P237-Y266 HydrophobicContact CG-CE1 3.99Å; P237-Y266 HydrophobicContact CG-CE2 3.52Å; P237-Y266 WeakPolarHBondContact CG-OH 3.19Å; V260-Y266 HydrophobicContact CG1-CD2 3.79Å; V260-Y266 HydrophobicContact CG1-CG 3.82Å; V260-Y266 WeakPolarHBondContact O-CB 3.5Å; T263-Y266 WeakPolarHBondContact O-CA 3.3Å; T263-Y266 WeakPolarHBondContact O-CB 3.44Å; T263-Y266 WeakPolarHBondContact O-CD2 3.49Å; T263-Y266 PolarHBondContact O-N 2.96Å; Y266-S268 VanDerWaalsContact C-N 3.31Å; Y266-R271 HydrophobicContact CD1-CB 4.44Å; Y266-R271 HydrophobicContact CD1-CG 3.78Å; Y266-R271 HydrophobicContact CE1-CG 3.75Å; Y266-I275 HydrophobicContact CD1-CD1 3.71Å; Y266-I275 HydrophobicContact CE1-CD1 3.27Å; Y266-Y293 WeakPolarHBondContact CE1-OH 3.4Å; Y266-Y293 PolarHBondContact OH-OH 3.45Å |
| 267 | D | 92.8 | Very high | 95.1 | Very high | 79 Ų | 79 | 41 Ų | 41 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -79.6 | -11.7 | 179.4 | 57.9 | -5.4 | 0 | 0 | 0 | 113.8 | K261 T263 S264 | K261-D267 VanDerWaalsContact O-CA 3.3Å; K261-D267 WeakPolarHBondContact O-CA 3.49Å; T263-D267 PolarHBondContact O-N 2.73Å; S264-D267 WeakPolarHBondContact CA-OD1 3.24Å; S264-D267 PolarHBondContact N-OD2 3.41Å |
| 268 | S | 88.1 | Confident | 95.1 | Very high | 80 Ų | 80 | 41 Ų | 41 | 56% | 0.559 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -155.6 | 166.4 | -178.9 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | Y266 | Y266-S268 VanDerWaalsContact C-N 3.31Š|
| 269 | G | 88.4 | Confident | 95.2 | Very high | 51 Ų | 51 | 37.1 Ų | 37.1 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -162.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 270 | P | 91.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8.7 | -169.8 | 32.4 | -34.9 | 0 | 0 | 0 | 114.1 | L272 L273 D274 R335 M404 | P270-L272 PolarHBondContact O-N 2.86Å; P270-L273 PolarHBondContact O-N 2.86Å; P270-D274 PolarHBondContact O-N 3Å; P270-R335 PolarHBondContact O-NH2 2.78Å; P270-R335 VanDerWaalsContact O-NH2 3.11Å; P270-M404 HydrophobicContact CB-SD 4.02Å; P270-M404 HydrophobicContact CG-SD 4.11Å |
| 271 | R | 93.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.038 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -39.1 | -161.5 | -174.4 | 57.7 | 64.1 | 95.1 | -6.5 | 114 | H234 P265 Y266 D274 I275 Y293 S295 S303 | H234-R271 PolarHBondContact NE2-NH1 3.17Å; P265-R271 HydrophobicContact CG-CG 4.13Å; P265-R271 WeakPolarHBondContact O-CB 3.29Å; Y266-R271 HydrophobicContact CD1-CB 4.44Å; Y266-R271 HydrophobicContact CD1-CG 3.78Å; Y266-R271 HydrophobicContact CE1-CG 3.75Å; R271-D274 WeakPolarHBondContact O-CB 3.17Å; R271-D274 PolarHBondContact O-N 3.4Å; R271-I275 PolarHBondContact O-N 3.09Å; R271-Y293 PolarHBondContact NH1-OH 3.01Å; R271-S295 VanDerWaalsContact NH2-CB 3.3Å; R271-S295 PolarHBondContact NH2-OG 2.86Å; R271-S303 PolarHBondContact NH2-O 2.74Å; R271-S303 VanDerWaalsContact NH2-O 3.08Å |
| 272 | L | 96.2 | Very high | 95.4 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.8 | -40.3 | 177.2 | -178.7 | 58.8 | 0 | 0 | 0 | 111.7 | W238 V260 K261 P270 D274 I275 I276 I333 | W238-L272 HydrophobicContact CH2-CD1 4.05Å; W238-L272 HydrophobicContact CZ3-CD1 4.2Å; V260-L272 HydrophobicContact CG1-CD1 4.19Å; K261-L272 HydrophobicContact CG-CD2 3.59Å; P270-L272 PolarHBondContact O-N 2.86Å; L272-D274 VanDerWaalsContact C-N 3.31Å; L272-D274 PolarHBondContact O-N 3.15Å; L272-I275 WeakPolarHBondContact O-CB 3.47Å; L272-I275 PolarHBondContact O-N 2.68Å; L272-I276 HydrophobicContact CG-CD1 4.3Å; L272-I276 WeakPolarHBondContact O-CG1 3.34Å; L272-I276 PolarHBondContact O-N 2.5Å; L272-I276 VanDerWaalsContact O-N 3.08Å; L272-I333 HydrophobicContact CD2-CD1 3.88Å; L272-I333 HydrophobicContact CG-CD1 4.21Å |
| 273 | L | 96.9 | Very high | 95.5 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 11% | 0.105 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -34.2 | 174.4 | -68.6 | 169.6 | 0 | 0 | 0 | 111.6 | P270 I275 I276 D277 I333 R335 V400 | P270-L273 PolarHBondContact O-N 2.86Å; L273-I275 VanDerWaalsContact C-N 3.33Å; L273-I275 PolarHBondContact O-N 3.09Å; L273-I276 PolarHBondContact O-N 2.96Å; L273-D277 PolarHBondContact O-N 3.4Å; L273-I333 HydrophobicContact CD2-CB 4.44Å; L273-I333 HydrophobicContact CD2-CD1 3.93Å; L273-I333 HydrophobicContact CD2-CG1 4Å; L273-R335 VanDerWaalsContact C-NH1 3.27Å; L273-R335 HydrophobicContact CB-CG 4.08Å; L273-R335 HydrophobicContact CD1-CG 4.08Å; L273-R335 HydrophobicContact CD2-CG 4.24Å; L273-R335 HydrophobicContact CG-CG 4.37Å; L273-R335 PolarHBondContact O-NH1 2.83Å; L273-V400 HydrophobicContact CD1-CB 4.19Å; L273-V400 HydrophobicContact CD1-CG1 3.84Å; L273-V400 HydrophobicContact CD2-CB 4.21Å; L273-V400 HydrophobicContact CD2-CG2 4.35Å |
| 274 | D | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 172.5 | -69.4 | -21.7 | 0 | 0 | 0 | 111.9 | R74 R161 P270 R271 L272 I276 T278 M304 L305 R335 | R74-D274 IonicContact CZ-OD1 3.16Å; R74-D274 IonicContact CZ-OD2 3.66Å; R74-D274 IonicContact NH1-OD1 3.74Å; R74-D274 IonicContact NH1-OD2 2.82Å; R74-D274 PolarHBondContact NH1-OD2 3.09Å; R74-D274 IonicContact NH2-OD1 3.38Å; R74-D274 PolarHBondContact NH2-OD1 3.31Å; R74-D274 IonicContact NH2-OD2 2.84Å; R74-D274 PolarHBondContact NH2-OD2 3.02Å; R161-D274 IonicContact CZ-OD1 2.75Å; R161-D274 IonicContact NH1-OD1 2.87Å; R161-D274 IonicContact NH2-OD1 2.73Å; P270-D274 PolarHBondContact O-N 3Å; R271-D274 WeakPolarHBondContact O-CB 3.17Å; R271-D274 PolarHBondContact O-N 3.4Å; L272-D274 VanDerWaalsContact C-N 3.31Å; L272-D274 PolarHBondContact O-N 3.15Å; D274-I276 VanDerWaalsContact C-N 3.33Å; D274-T278 VanDerWaalsContact O-CB 3.31Å; D274-T278 WeakPolarHBondContact O-CB 3.46Å; D274-T278 PolarHBondContact O-N 2.8Å; D274-T278 PolarHBondContact O-OG1 3.38Å; D274-M304 WeakPolarHBondContact OD2-CA 3.5Å; D274-L305 HydrophobicContact CB-CB 4.01Å; D274-R335 IonicContact OD1-CZ 3.67Å; D274-R335 IonicContact OD1-NH1 3.79Å; D274-R335 PolarHBondContact OD1-NH1 2.83Å; D274-R335 IonicContact OD1-NH2 2.73Å; D274-R335 PolarHBondContact OD1-NH2 3.39Å |
| 275 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62 | -42 | 173 | -75.2 | 175.1 | 0 | 0 | 0 | 111 | P237 W238 Y266 R271 L272 L273 T278 A279 Y293 L305 P327 | P237-I275 HydrophobicContact CG-CD1 3.94Å; W238-I275 HydrophobicContact CE3-CG2 3.96Å; W238-I275 HydrophobicContact CZ3-CG2 3.91Å; Y266-I275 HydrophobicContact CD1-CD1 3.71Å; Y266-I275 HydrophobicContact CE1-CD1 3.27Å; R271-I275 PolarHBondContact O-N 3.09Å; L272-I275 WeakPolarHBondContact O-CB 3.47Å; L272-I275 PolarHBondContact O-N 2.68Å; L273-I275 VanDerWaalsContact C-N 3.33Å; L273-I275 PolarHBondContact O-N 3.09Å; I275-T278 CarbonylContact O-C 3.45Å; I275-T278 WeakPolarHBondContact O-CB 3.31Å; I275-T278 PolarHBondContact O-N 3.14Å; I275-A279 WeakPolarHBondContact O-CB 3.46Å; I275-A279 PolarHBondContact O-N 3.17Å; I275-Y293 HydrophobicContact CD1-CE1 4.34Å; I275-L305 HydrophobicContact CG1-CD1 4.22Å; I275-P327 HydrophobicContact CG2-CB 3.92Å; I275-P327 HydrophobicContact CG2-CG 4.06Å |
| 276 | I | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.2 | -43.8 | -177.9 | -68 | 165.2 | 0 | 0 | 0 | 111.4 | L272 L273 D274 T278 A279 I280 P327 L328 C331 I333 | L272-I276 HydrophobicContact CG-CD1 4.3Å; L272-I276 WeakPolarHBondContact O-CG1 3.34Å; L272-I276 PolarHBondContact O-N 2.5Å; L272-I276 VanDerWaalsContact O-N 3.08Å; L273-I276 PolarHBondContact O-N 2.96Å; D274-I276 VanDerWaalsContact C-N 3.33Å; I276-T278 PolarHBondContact O-N 3.21Å; I276-A279 WeakPolarHBondContact O-CB 3.25Å; I276-A279 PolarHBondContact O-N 3.46Å; I276-I280 HydrophobicContact CG2-CD1 4.22Å; I276-I280 WeakPolarHBondContact O-CG1 3.46Å; I276-I280 PolarHBondContact O-N 3.36Å; I276-P327 HydrophobicContact CG1-CB 4.1Å; I276-L328 HydrophobicContact CG2-CB 4.31Å; I276-L328 HydrophobicContact CG2-CD1 3.83Å; I276-C331 HydrophobicContact CD1-CB 3.94Å; I276-I333 HydrophobicContact CD1-CD1 3.88Å; I276-I333 HydrophobicContact CD1-CG1 3.29Å; I276-I333 WeakPolarHBondContact CD1-O 3.34Å; I276-I333 WeakPolarHBondContact CG2-O 3.4Å |
| 277 | D | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58 | -40.5 | 172 | -78.4 | -9.9 | 0 | 0 | 0 | 111.5 | F159 R161 L273 I280 F281 R335 T338 | F159-D277 HydrophobicContact CD1-CB 4.5Å; F159-D277 HydrophobicContact CE1-CB 3.81Å; F159-D277 HydrophobicContact CE2-CB 4.36Å; F159-D277 WeakPolarHBondContact CE2-O 3.1Å; F159-D277 HydrophobicContact CZ-CB 3.73Å; R161-D277 IonicContact CZ-OD2 3.38Å; R161-D277 IonicContact NH1-OD2 3.17Å; R161-D277 IonicContact NH2-OD2 2.8Å; R161-D277 PolarHBondContact NH2-OD2 3.08Å; L273-D277 PolarHBondContact O-N 3.4Å; D277-I280 WeakPolarHBondContact O-CB 3.27Å; D277-I280 PolarHBondContact O-N 2.77Å; D277-F281 PolarHBondContact O-N 3.14Å; D277-R335 IonicContact OD2-CZ 3.56Å; D277-R335 IonicContact OD2-NE 2.76Å; D277-R335 IonicContact OD2-NH1 3.73Å; D277-R335 PolarHBondContact OD2-NH1 3.03Å; D277-T338 VanDerWaalsContact CG-OG1 3.31Å; D277-T338 WeakPolarHBondContact OD1-CB 3.24Å; D277-T338 WeakPolarHBondContact OD1-CG2 3.26Å; D277-T338 PolarHBondContact OD1-OG1 2.82Å; D277-T338 PolarHBondContact OD2-OG1 2.79Å |
| 278 | T | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.3 | -38.1 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | D274 I275 I276 I280 F281 D282 R290 L305 L307 | D274-T278 VanDerWaalsContact O-CB 3.31Å; D274-T278 WeakPolarHBondContact O-CB 3.46Å; D274-T278 PolarHBondContact O-N 2.8Å; D274-T278 PolarHBondContact O-OG1 3.38Å; I275-T278 CarbonylContact O-C 3.45Å; I275-T278 WeakPolarHBondContact O-CB 3.31Å; I275-T278 PolarHBondContact O-N 3.14Å; I276-T278 PolarHBondContact O-N 3.21Å; T278-I280 VanDerWaalsContact C-N 3.34Å; T278-F281 WeakPolarHBondContact O-CB 3.42Å; T278-F281 PolarHBondContact O-N 2.83Å; T278-D282 VanDerWaalsContact O-CB 3.3Å; T278-D282 WeakPolarHBondContact O-CB 3.3Å; T278-D282 VanDerWaalsContact O-CG 3.31Å; T278-D282 PolarHBondContact O-N 3.1Å; T278-R290 VanDerWaalsContact CG2-NE 3.25Å; T278-L305 HydrophobicContact CG2-CD1 4.19Å; T278-L305 HydrophobicContact CG2-CD2 3.84Å; T278-L305 WeakPolarHBondContact OG1-CD2 3.3Å; T278-L307 HydrophobicContact CG2-CD2 3.63Å |
| 279 | A | 98.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 8.4 Ų | 8.4 | 3% | 0.025 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I275 I276 Y283 P327 | I275-A279 WeakPolarHBondContact O-CB 3.46Å; I275-A279 PolarHBondContact O-N 3.17Å; I276-A279 WeakPolarHBondContact O-CB 3.25Å; I276-A279 PolarHBondContact O-N 3.46Å; A279-Y283 VanDerWaalsContact O-CB 3.24Å; A279-Y283 WeakPolarHBondContact O-CB 3.12Å; A279-Y283 PolarHBondContact O-N 3.43Å; A279-P327 HydrophobicContact CB-CB 4Å; A279-P327 HydrophobicContact CB-CG 3.73Å |
| 280 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 172.5 | -71.8 | 166.6 | 0 | 0 | 0 | 110.2 | I276 D277 T278 Y283 L284 L325 L328 I334 T338 L342 I382 | I276-I280 HydrophobicContact CG2-CD1 4.22Å; I276-I280 WeakPolarHBondContact O-CG1 3.46Å; I276-I280 PolarHBondContact O-N 3.36Å; D277-I280 WeakPolarHBondContact O-CB 3.27Å; D277-I280 PolarHBondContact O-N 2.77Å; T278-I280 VanDerWaalsContact C-N 3.34Å; I280-Y283 PolarHBondContact O-N 3.47Å; I280-L284 HydrophobicContact CG2-CD1 4.39Å; I280-L284 WeakPolarHBondContact O-CG 3.49Å; I280-L284 PolarHBondContact O-N 2.88Å; I280-L284 VanDerWaalsContact O-N 3.09Å; I280-L325 HydrophobicContact CG1-CD2 4.46Å; I280-L328 HydrophobicContact CD1-CD2 4.38Å; I280-L328 HydrophobicContact CG1-CD2 4.18Å; I280-I334 HydrophobicContact CD1-CD1 3.62Å; I280-I334 HydrophobicContact CD1-CG1 4.13Å; I280-T338 HydrophobicContact CD1-CG2 4.05Å; I280-L342 HydrophobicContact CD1-CD1 4.32Å; I280-L342 HydrophobicContact CG2-CD1 4.19Å; I280-L342 HydrophobicContact CG2-CD2 4.07Å; I280-I382 HydrophobicContact CD1-CG2 4.47Å; I280-I382 HydrophobicContact CG1-CG2 4.23Å; I280-I382 HydrophobicContact CG2-CD1 3.9Å; I280-I382 HydrophobicContact CG2-CG2 4.38Å |
| 281 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.2 | -53.2 | 175.3 | 178.8 | -101.8 | 0 | 0 | 0 | 111.9 | A150 L153 D154 L157 F159 D277 T278 Y283 L284 I285 L307 | A150-F281 HydrophobicContact CB-CE1 4.49Å; A150-F281 HydrophobicContact CB-CZ 3.83Å; A150-F281 WeakPolarHBondContact O-CE2 3.49Å; A150-F281 WeakPolarHBondContact O-CZ 3.49Å; L153-F281 HydrophobicContact CB-CE2 4.18Å; L153-F281 HydrophobicContact CD2-CD2 4.15Å; L153-F281 HydrophobicContact CD2-CE2 4.08Å; L153-F281 HydrophobicContact CG-CD2 4.33Å; L153-F281 HydrophobicContact CG-CE2 4.13Å; D154-F281 HydrophobicContact CB-CE2 4.08Å; L157-F281 HydrophobicContact CD1-CD2 3.9Å; F159-F281 HydrophobicContact CD2-CB 4.4Å; F159-F281 HydrophobicContact CD2-CD2 4.35Å; F159-F281 HydrophobicContact CE2-CB 3.98Å; D277-F281 PolarHBondContact O-N 3.14Å; T278-F281 WeakPolarHBondContact O-CB 3.42Å; T278-F281 PolarHBondContact O-N 2.83Å; F281-Y283 VanDerWaalsContact C-N 3.29Å; F281-Y283 PolarHBondContact O-N 3.47Å; F281-L284 WeakPolarHBondContact O-CB 3.46Å; F281-L284 PolarHBondContact O-N 3.39Å; F281-I285 HydrophobicContact CD1-CD1 3.78Å; F281-I285 HydrophobicContact CE1-CD1 3.41Å; F281-I285 VanDerWaalsContact CE1-CD1 3.41Å; F281-I285 HydrophobicContact CZ-CD1 4Å; F281-I285 WeakPolarHBondContact O-CG1 3.12Å; F281-I285 PolarHBondContact O-N 2.76Å; F281-I285 VanDerWaalsContact O-N 3.14Å; F281-L307 HydrophobicContact CD1-CD1 3.93Å; F281-L307 HydrophobicContact CD1-CD2 3.91Å; F281-L307 HydrophobicContact CD1-CG 4.47Å; F281-L307 HydrophobicContact CD2-CD1 4.1Å; F281-L307 HydrophobicContact CE1-CB 4.47Å; F281-L307 HydrophobicContact CE1-CD1 3.94Å; F281-L307 HydrophobicContact CE1-CD2 4.23Å; F281-L307 HydrophobicContact CE1-CG 4.45Å; F281-L307 HydrophobicContact CE2-CD1 4.13Å; F281-L307 HydrophobicContact CG-CD1 3.98Å; F281-L307 HydrophobicContact CG-CD2 4.48Å; F281-L307 HydrophobicContact CZ-CD1 4.03Å |
| 282 | D | 98.9 | Very high | 98 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.027 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.7 | -37.4 | -178.7 | -78.3 | -25.4 | 0 | 0 | 0 | 111.5 | T278 I285 G286 N287 R290 I324 | T278-D282 VanDerWaalsContact O-CB 3.3Å; T278-D282 WeakPolarHBondContact O-CB 3.3Å; T278-D282 VanDerWaalsContact O-CG 3.31Å; T278-D282 PolarHBondContact O-N 3.1Å; D282-I285 WeakPolarHBondContact O-CG1 3.32Å; D282-I285 PolarHBondContact O-N 2.92Å; D282-G286 CarbonylContact O-C 3.6Å; D282-G286 WeakPolarHBondContact O-CA 3.4Å; D282-G286 PolarHBondContact O-N 3.49Å; D282-N287 HydrophobicContact CB-CB 4.03Å; D282-N287 PolarHBondContact O-N 2.88Å; D282-N287 WeakPolarHBondContact OD1-CB 3.21Å; D282-N287 PolarHBondContact OD1-ND2 3.16Å; D282-R290 VanDerWaalsContact CG-NE 3.32Å; D282-R290 IonicContact OD1-CZ 3.52Å; D282-R290 IonicContact OD1-NE 2.75Å; D282-R290 PolarHBondContact OD1-NE 3.35Å; D282-R290 IonicContact OD1-NH2 3.06Å; D282-R290 PolarHBondContact OD1-NH2 3.47Å; D282-R290 WeakPolarHBondContact OD2-CB 3.29Å; D282-R290 VanDerWaalsContact OD2-CD 3.24Å; D282-R290 WeakPolarHBondContact OD2-CD 3.39Å; D282-R290 IonicContact OD2-CZ 2.63Å; D282-R290 IonicContact OD2-NE 3.29Å; D282-R290 PolarHBondContact OD2-NE 3.44Å; D282-R290 IonicContact OD2-NH2 2.71Å; D282-I324 HydrophobicContact CB-CG2 3.58Å |
| 283 | Y | 98.9 | Very high | 98 | Very high | 9 Ų | 9 | 11.9 Ų | 11.9 | 4% | 0.035 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.3 | -43.9 | 177.6 | 178.6 | -107.5 | 0 | 0 | 0 | 111.6 | A279 I280 F281 I285 G286 D320 E321 I324 L325 R378 S381 I382 | A279-Y283 VanDerWaalsContact O-CB 3.24Å; A279-Y283 WeakPolarHBondContact O-CB 3.12Å; A279-Y283 PolarHBondContact O-N 3.43Å; I280-Y283 PolarHBondContact O-N 3.47Å; F281-Y283 VanDerWaalsContact C-N 3.29Å; F281-Y283 PolarHBondContact O-N 3.47Å; Y283-I285 VanDerWaalsContact C-N 3.3Å; Y283-I285 PolarHBondContact O-N 2.94Å; Y283-G286 PolarHBondContact O-N 3.11Å; Y283-G286 VanDerWaalsContact O-N 3.17Å; Y283-D320 HydrophobicContact CE2-CB 4.45Å; Y283-E321 WeakPolarHBondContact CD2-O 3.4Å; Y283-I324 HydrophobicContact CD2-CB 4.25Å; Y283-L325 HydrophobicContact CD1-CD1 3.6Å; Y283-L325 HydrophobicContact CD1-CD2 3.94Å; Y283-L325 HydrophobicContact CD1-CG 3.76Å; Y283-L325 HydrophobicContact CD2-CD1 4.09Å; Y283-L325 HydrophobicContact CD2-CD2 4.46Å; Y283-L325 HydrophobicContact CD2-CG 3.72Å; Y283-L325 HydrophobicContact CE1-CD1 3.63Å; Y283-L325 HydrophobicContact CE1-CG 4.23Å; Y283-L325 HydrophobicContact CE2-CD1 4.14Å; Y283-L325 HydrophobicContact CE2-CG 4.22Å; Y283-L325 HydrophobicContact CG-CD1 3.82Å; Y283-L325 HydrophobicContact CG-CD2 3.73Å; Y283-L325 HydrophobicContact CG-CG 3.45Å; Y283-L325 VanDerWaalsContact CG-CG 3.45Å; Y283-R378 HydrophobicContact CD1-CB 4.05Å; Y283-R378 HydrophobicContact CE1-CB 3.68Å; Y283-R378 HydrophobicContact CE1-CG 4.01Å; Y283-R378 WeakPolarHBondContact CE1-O 3.44Å; Y283-R378 WeakPolarHBondContact O-CD 3.38Å; Y283-S381 VanDerWaalsContact OH-CB 3.27Å; Y283-S381 WeakPolarHBondContact OH-CB 3.23Å; Y283-I382 HydrophobicContact CD1-CD1 3.78Å; Y283-I382 HydrophobicContact CD1-CG1 3.66Å; Y283-I382 HydrophobicContact CE1-CD1 4.41Å; Y283-I382 HydrophobicContact CE1-CG1 4.04Å |
| 284 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -55.9 | -46 | 176 | -75 | 170.9 | 0 | 0 | 0 | 111.3 | L153 L157 I280 F281 L350 L375 R378 L379 I382 | L153-L284 HydrophobicContact CD2-CB 4.02Å; L153-L284 HydrophobicContact CD2-CD1 4.38Å; L157-L284 HydrophobicContact CD1-CD1 3.94Å; L157-L284 HydrophobicContact CD2-CD1 4.19Å; I280-L284 HydrophobicContact CG2-CD1 4.39Å; I280-L284 WeakPolarHBondContact O-CG 3.49Å; I280-L284 PolarHBondContact O-N 2.88Å; I280-L284 VanDerWaalsContact O-N 3.09Å; F281-L284 WeakPolarHBondContact O-CB 3.46Å; F281-L284 PolarHBondContact O-N 3.39Å; L284-L350 HydrophobicContact CD2-CD2 4Å; L284-L375 HydrophobicContact CB-CD2 3.72Å; L284-L375 HydrophobicContact CD2-CD2 4.24Å; L284-L375 WeakPolarHBondContact O-CD2 3.26Å; L284-R378 HydrophobicContact CD2-CB 4.04Å; L284-R378 WeakPolarHBondContact O-CD 3.36Å; L284-R378 PolarHBondContact O-NH1 2.78Å; L284-L379 HydrophobicContact CD2-CB 4.15Å; L284-I382 HydrophobicContact CD1-CD1 4.27Å; L284-I382 HydrophobicContact CD2-CD1 3.66Å; L284-I382 HydrophobicContact CG-CD1 3.65Å |
| 285 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -84.6 | -11.6 | -178.8 | 71.5 | -175 | 0 | 0 | 0 | 113.2 | L153 F281 D282 Y283 N287 N310 S313 F314 | L153-I285 HydrophobicContact CD2-CG2 3.28Å; F281-I285 HydrophobicContact CD1-CD1 3.78Å; F281-I285 HydrophobicContact CE1-CD1 3.41Å; F281-I285 VanDerWaalsContact CE1-CD1 3.41Å; F281-I285 HydrophobicContact CZ-CD1 4Å; F281-I285 WeakPolarHBondContact O-CG1 3.12Å; F281-I285 PolarHBondContact O-N 2.76Å; F281-I285 VanDerWaalsContact O-N 3.14Å; D282-I285 WeakPolarHBondContact O-CG1 3.32Å; D282-I285 PolarHBondContact O-N 2.92Å; Y283-I285 VanDerWaalsContact C-N 3.3Å; Y283-I285 PolarHBondContact O-N 2.94Å; I285-N287 HydrophobicContact CD1-CB 3.89Å; I285-N287 HydrophobicContact CG1-CB 3.77Å; I285-N310 HydrophobicContact CD1-CB 4.4Å; I285-S313 WeakPolarHBondContact CD1-OG 3.47Å; I285-S313 WeakPolarHBondContact CG1-OG 3.38Å; I285-S313 WeakPolarHBondContact O-CB 3.42Å; I285-F314 HydrophobicContact CB-CD2 4.23Å; I285-F314 HydrophobicContact CB-CE1 4.27Å; I285-F314 HydrophobicContact CB-CE2 3.66Å; I285-F314 HydrophobicContact CB-CZ 3.69Å; I285-F314 HydrophobicContact CG2-CE1 4.32Å; I285-F314 HydrophobicContact CG2-CE2 3.69Å; I285-F314 HydrophobicContact CG2-CZ 3.46Å; I285-F314 VanDerWaalsContact CG2-CZ 3.46Å; I285-F314 PolarHBondContact O-N 3.01Å |
| 286 | G | 98.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 12.7 Ų | 12.7 | 21% | 0.206 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 39 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D282 Y283 | D282-G286 CarbonylContact O-C 3.6Å; D282-G286 WeakPolarHBondContact O-CA 3.4Å; D282-G286 PolarHBondContact O-N 3.49Å; Y283-G286 PolarHBondContact O-N 3.11Å; Y283-G286 VanDerWaalsContact O-N 3.17Å |
| 287 | N | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | trans | -89.8 | 100.8 | 175.4 | -174.8 | 14.4 | 0 | 0 | 0 | 111.3 | D282 I285 D289 R290 S313 | D282-N287 HydrophobicContact CB-CB 4.03Å; D282-N287 PolarHBondContact O-N 2.88Å; D282-N287 WeakPolarHBondContact OD1-CB 3.21Å; D282-N287 PolarHBondContact OD1-ND2 3.16Å; I285-N287 HydrophobicContact CD1-CB 3.89Å; I285-N287 HydrophobicContact CG1-CB 3.77Å; N287-D289 PolarHBondContact OD1-N 3.48Å; N287-R290 PolarHBondContact ND2-NH2 2.86Å; N287-S313 WeakPolarHBondContact CB-OG 3.37Å | ||
| 288 | A | 97.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 24 Ų | 24 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | trans | -95.2 | 6.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P137 R240 E321 I324 | P137-A288 HydrophobicContact CB-CB 3.34Å; R240-A288 PolarHBondContact NE-O 3.33Å; R240-A288 VanDerWaalsContact NE-O 3.08Å; A288-E321 HydrophobicContact CB-CG 4.38Å; A288-I324 HydrophobicContact CB-CD1 4.12Å; A288-I324 HydrophobicContact CB-CG1 4.17Å | ||
| 289 | D | 96.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 25.3 Ų | 25.3 | 14% | 0.144 | 13% | 0.131 | C | C | . | . | trans | -106.4 | 10.4 | -170.3 | -157 | 34.4 | 0 | 0 | 0 | 113.6 | Y138 Y242 N287 H291 K312 | Y138-D289 WeakPolarHBondContact CB-OD1 3.48Å; Y242-D289 WeakPolarHBondContact CE1-OD1 3.22Å; Y242-D289 PolarHBondContact OH-OD1 3.45Å; N287-D289 PolarHBondContact OD1-N 3.48Å; D289-H291 PolarHBondContact O-N 3.36Å; D289-H291 IonicContact OD1-CD2 3.99Å; D289-K312 HydrophobicContact CB-CB 3.89Å; D289-K312 HydrophobicContact CB-CG 4.1Å | ||
| 290 | R | 97.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | trans | -75.1 | 71.9 | 177.4 | -163.2 | 175.4 | -58.4 | -78.3 | -0.4 | 112.5 | H236 T278 D282 N287 H292 L308 N310 | H236-R290 WeakPolarHBondContact CB-O 3.45Å; T278-R290 VanDerWaalsContact CG2-NE 3.25Å; D282-R290 VanDerWaalsContact CG-NE 3.32Å; D282-R290 IonicContact OD1-CZ 3.52Å; D282-R290 IonicContact OD1-NE 2.75Å; D282-R290 PolarHBondContact OD1-NE 3.35Å; D282-R290 IonicContact OD1-NH2 3.06Å; D282-R290 PolarHBondContact OD1-NH2 3.47Å; D282-R290 WeakPolarHBondContact OD2-CB 3.29Å; D282-R290 VanDerWaalsContact OD2-CD 3.24Å; D282-R290 WeakPolarHBondContact OD2-CD 3.39Å; D282-R290 IonicContact OD2-CZ 2.63Å; D282-R290 IonicContact OD2-NE 3.29Å; D282-R290 PolarHBondContact OD2-NE 3.44Å; D282-R290 IonicContact OD2-NH2 2.71Å; N287-R290 PolarHBondContact ND2-NH2 2.86Å; R290-H292 VanDerWaalsContact CG-O 3.32Å; R290-H292 WeakPolarHBondContact CG-O 3.48Å; R290-L308 PolarHBondContact NH1-O 3.09Å; R290-L308 VanDerWaalsContact NH1-O 3.09Å; R290-N310 PolarHBondContact NH2-OD1 3.24Å | ||
| 291 | H | 95.4 | Very high | 91.2 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 32% | 0.315 | 20% | 0.197 | S | C | . | . | trans | -81.1 | -17.7 | 178.5 | 51.9 | 36.7 | 0 | 0 | 0 | 114.8 | H236 Y242 D289 | H236-H291 WeakPolarHBondContact CB-O 3.4Å; H236-H291 PolarHBondContact N-O 2.88Å; Y242-H291 HydrophobicContact CE2-CB 3.65Å; Y242-H291 AromaticContact CE2-CD2 3.88Å; Y242-H291 AromaticContact CZ-CD2 3.78Å; Y242-H291 WeakPolarHBondContact OH-CB 3.16Å; D289-H291 PolarHBondContact O-N 3.36Å; D289-H291 IonicContact OD1-CD2 3.99Å | ||
| 292 | H | 96.2 | Very high | 90 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 30% | 0.296 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.9 | 177.3 | -69.6 | 85.9 | 0 | 0 | 0 | 107.1 | K233 H234 R290 | K233-H292 VanDerWaalsContact CE-CB 3.46Å; K233-H292 WeakPolarHBondContact CE-CD2 3.3Å; K233-H292 HydrophobicContact CG-CB 4.26Å; H234-H292 CarbonylContact O-C 3.57Å; H234-H292 WeakPolarHBondContact O-CA 3.46Å; H234-H292 VanDerWaalsContact O-CB 3.3Å; H234-H292 WeakPolarHBondContact O-CB 3.2Å; H234-H292 PolarHBondContact O-CD2 3.15Å; R290-H292 VanDerWaalsContact CG-O 3.32Å; R290-H292 WeakPolarHBondContact CG-O 3.48Å |
| 293 | Y | 96.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 158.5 | 171.3 | 70 | -93.7 | 0 | 0 | 0 | 109.6 | H234 H236 Y266 R271 I275 L305 | H234-Y293 HydrophobicContact CB-CD1 3.94Å; H234-Y293 HydrophobicContact CB-CD2 4Å; H234-Y293 HydrophobicContact CB-CE1 3.47Å; H234-Y293 VanDerWaalsContact CB-CE1 3.47Å; H234-Y293 HydrophobicContact CB-CE2 3.56Å; H234-Y293 HydrophobicContact CB-CG 4.19Å; H234-Y293 AromaticContact CD2-CD2 3.99Å; H234-Y293 AromaticContact CD2-CE2 3.5Å; H234-Y293 VanDerWaalsContact CD2-CE2 3.5Å; H234-Y293 WeakPolarHBondContact CD2-CE2 3.49Å; H234-Y293 AromaticContact CG-CE2 3.63Å; H234-Y293 AromaticContact CG-CZ 3.65Å; H234-Y293 PolarHBondContact N-O 2.66Å; H234-Y293 PolarHBondContact O-N 3.46Å; H236-Y293 HydrophobicContact CB-CD1 4.4Å; H236-Y293 AromaticContact CD2-CD1 3.93Å; Y266-Y293 WeakPolarHBondContact CE1-OH 3.4Å; Y266-Y293 PolarHBondContact OH-OH 3.45Å; R271-Y293 PolarHBondContact NH1-OH 3.01Å; I275-Y293 HydrophobicContact CD1-CE1 4.34Å; Y293-L305 HydrophobicContact CD1-CD1 4.11Å; Y293-L305 HydrophobicContact CD2-CB 4.3Å; Y293-L305 HydrophobicContact CD2-CD1 3.58Å; Y293-L305 HydrophobicContact CD2-CG 3.57Å; Y293-L305 HydrophobicContact CE2-CD1 4.22Å; Y293-L305 HydrophobicContact CE2-CG 4.39Å; Y293-L305 HydrophobicContact CG-CD1 3.49Å; Y293-L305 VanDerWaalsContact CG-CD1 3.49Å; Y293-L305 HydrophobicContact CG-CG 3.83Å |
| 294 | E | 95.3 | Very high | 88.9 | Confident | 34 Ų | 34 | 37.7 Ų | 37.7 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.8 | 179.8 | -70.4 | 75.9 | -165.9 | 0 | 0 | 110.8 | L231 Q232 L305 I306 L308 | L231-E294 HydrophobicContact CB-CB 4.41Å; L231-E294 HydrophobicContact CB-CG 4.43Å; L231-E294 HydrophobicContact CD1-CG 4.47Å; L231-E294 HydrophobicContact CD2-CB 4.32Å; Q232-E294 CarbonylContact O-C 3.49Å; Q232-E294 VanDerWaalsContact O-CA 3.24Å; Q232-E294 WeakPolarHBondContact O-CA 3.48Å; E294-L305 WeakPolarHBondContact O-CA 3.24Å; E294-I306 PolarHBondContact O-N 2.91Å; E294-L308 HydrophobicContact CB-CD1 4Å; E294-L308 HydrophobicContact CG-CD1 4.06Å |
| 295 | S | 94.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 169.5 | 166.7 | 76 | 0 | 0 | 0 | 0 | 109.4 | L231 Q232 H234 R271 M304 | L231-S295 CarbonylContact C-O 3.59Å; L231-S295 VanDerWaalsContact CA-O 3.32Å; L231-S295 WeakPolarHBondContact CA-O 3.44Å; Q232-S295 PolarHBondContact N-O 3.4Å; Q232-S295 PolarHBondContact O-N 3.23Å; H234-S295 PolarHBondContact NE2-OG 2.82Å; R271-S295 VanDerWaalsContact NH2-CB 3.3Å; R271-S295 PolarHBondContact NH2-OG 2.86Å; S295-M304 WeakPolarHBondContact CB-O 3.38Å |
| 296 | F | 93.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 151 | 166.4 | -56.5 | -53.3 | 0 | 0 | 0 | 110.3 | V71 L225 W229 P230 L231 S303 I306 | V71-F296 HydrophobicContact CG1-CE1 4.31Å; V71-F296 HydrophobicContact CG1-CE2 3.9Å; V71-F296 HydrophobicContact CG1-CZ 3.46Å; V71-F296 VanDerWaalsContact CG1-CZ 3.46Å; L225-F296 HydrophobicContact CD1-CE1 4.03Å; L225-F296 HydrophobicContact CD1-CZ 4.4Å; W229-F296 HydrophobicContact CB-CD1 3.58Å; W229-F296 HydrophobicContact CB-CE1 3.54Å; W229-F296 HydrophobicContact CB-CG 4.29Å; W229-F296 HydrophobicContact CB-CZ 4.21Å; W229-F296 HydrophobicContact CD2-CD2 4.49Å; W229-F296 HydrophobicContact CD2-CG 4.44Å; W229-F296 HydrophobicContact CE3-CB 4.01Å; W229-F296 HydrophobicContact CE3-CD1 4.32Å; W229-F296 AromaticContact CE3-CD2 4Å; W229-F296 HydrophobicContact CE3-CD2 4Å; W229-F296 AromaticContact CE3-CG 3.85Å; W229-F296 HydrophobicContact CE3-CG 3.85Å; W229-F296 HydrophobicContact CG-CD1 4.33Å; W229-F296 HydrophobicContact CG-CE1 4.21Å; W229-F296 HydrophobicContact CG-CZ 4.44Å; P230-F296 WeakPolarHBondContact O-CA 3.47Å; L231-F296 HydrophobicContact CD2-CD1 3.83Å; L231-F296 HydrophobicContact CD2-CE1 3.88Å; F296-S303 WeakPolarHBondContact CA-OG 3.32Å; F296-S303 WeakPolarHBondContact CB-OG 3.19Å; F296-S303 PolarHBondContact N-OG 2.92Å; F296-S303 PolarHBondContact O-OG 3.34Å; F296-I306 HydrophobicContact CD2-CD1 4.16Å; F296-I306 HydrophobicContact CE1-CD1 4.13Å; F296-I306 HydrophobicContact CE1-CG1 4.36Å; F296-I306 HydrophobicContact CE2-CD1 3.62Å; F296-I306 HydrophobicContact CZ-CD1 3.61Å; F296-I306 HydrophobicContact CZ-CG1 4.31Å |
| 297 | Q | 89.8 | Confident | 88.6 | Confident | 81 Ų | 81 | 36.7 Ų | 36.7 | 38% | 0.379 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -76.9 | 155.2 | 172.9 | -66 | 174.3 | 17.3 | 0 | 0 | 110.6 | P230 L231 Q232 D299 | P230-Q297 HydrophobicContact CB-CG 4.47Å; P230-Q297 HydrophobicContact CG-CB 4.16Å; P230-Q297 HydrophobicContact CG-CG 4.41Å; P230-Q297 PolarHBondContact O-N 2.79Å; L231-Q297 PolarHBondContact O-NE2 3.06Å; Q232-Q297 HydrophobicContact CB-CG 3.77Å; Q297-D299 PolarHBondContact O-N 3.2Å |
| 298 | D | 68.6 | Low | 88.4 | Confident | 158 Ų | 158 | 38 Ų | 38 | 85% | 0.845 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 57.1 | 46.7 | 163.2 | -59.2 | -23.8 | 0 | 0 | 0 | 117.2 | ||
| 299 | D | 65.8 | Low | 88.1 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -120.2 | 30.5 | 171.7 | 65.9 | 13.6 | 0 | 0 | 0 | 114.2 | Q297 G301 A302 S303 | Q297-D299 PolarHBondContact O-N 3.2Å; D299-G301 PolarHBondContact O-N 3.44Å; D299-G301 PolarHBondContact OD1-N 3.43Å; D299-A302 HydrophobicContact CB-CB 4.45Å; D299-A302 VanDerWaalsContact O-CB 3.23Å; D299-A302 WeakPolarHBondContact O-CB 3.39Å; D299-A302 PolarHBondContact O-N 2.8Å; D299-A302 PolarHBondContact OD1-N 3.47Å; D299-S303 VanDerWaalsContact CG-CA 3.49Å; D299-S303 VanDerWaalsContact OD1-CB 3.25Å; D299-S303 WeakPolarHBondContact OD1-CB 3.09Å; D299-S303 PolarHBondContact OD1-N 3.41Å; D299-S303 WeakPolarHBondContact OD2-CA 3.31Å; D299-S303 WeakPolarHBondContact OD2-CB 3.31Å; D299-S303 PolarHBondContact OD2-N 2.65Å; D299-S303 PolarHBondContact OD2-OG 2.93Å |
| 300 | E | 68.9 | Low | 88.2 | Confident | 208 Ų | 208 | 40.7 Ų | 40.7 | 97% | 0.972 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 23.9 | 177.5 | -56.5 | -176.6 | 175.6 | 0 | 0 | 113.7 | ||
| 301 | G | 67.5 | Low | 88.2 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 44% | 0.443 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 7.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D299 S303 | D299-G301 PolarHBondContact O-N 3.44Å; D299-G301 PolarHBondContact OD1-N 3.43Å; G301-S303 PolarHBondContact O-N 3.34Å |
| 302 | A | 74.4 | Confident | 88.3 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 21% | 0.207 | 20% | 0.199 | C | C | . | . | trans | -70.9 | -20.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R74 D299 M304 | R74-A302 WeakPolarHBondContact CD-O 3.47Å; R74-A302 PolarHBondContact NH1-O 2.87Å; D299-A302 HydrophobicContact CB-CB 4.45Å; D299-A302 VanDerWaalsContact O-CB 3.23Å; D299-A302 WeakPolarHBondContact O-CB 3.39Å; D299-A302 PolarHBondContact O-N 2.8Å; D299-A302 PolarHBondContact OD1-N 3.47Å; A302-M304 PolarHBondContact O-N 3.12Å | ||
| 303 | S | 84.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 133.1 | -169.2 | -139.4 | 0 | 0 | 0 | 0 | 113.6 | R271 F296 D299 G301 | R271-S303 PolarHBondContact NH2-O 2.74Å; R271-S303 VanDerWaalsContact NH2-O 3.08Å; F296-S303 WeakPolarHBondContact CA-OG 3.32Å; F296-S303 WeakPolarHBondContact CB-OG 3.19Å; F296-S303 PolarHBondContact N-OG 2.92Å; F296-S303 PolarHBondContact O-OG 3.34Å; D299-S303 VanDerWaalsContact CG-CA 3.49Å; D299-S303 VanDerWaalsContact OD1-CB 3.25Å; D299-S303 WeakPolarHBondContact OD1-CB 3.09Å; D299-S303 PolarHBondContact OD1-N 3.41Å; D299-S303 WeakPolarHBondContact OD2-CA 3.31Å; D299-S303 WeakPolarHBondContact OD2-CB 3.31Å; D299-S303 PolarHBondContact OD2-N 2.65Å; D299-S303 PolarHBondContact OD2-OG 2.93Å; G301-S303 PolarHBondContact O-N 3.34Å |
| 304 | M | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 157.2 | 168.9 | 74.1 | 179.7 | 175.8 | 0 | 0 | 112.3 | P73 E75 V76 R161 D274 S295 A302 I306 | P73-M304 PolarHBondContact O-N 3.42Å; P73-M304 VanDerWaalsContact O-N 3.16Å; E75-M304 VanDerWaalsContact C-CE 3.5Å; E75-M304 VanDerWaalsContact CA-CE 3.44Å; V76-M304 HydrophobicContact CG2-CE 3.61Å; R161-M304 HydrophobicContact CB-CE 4.18Å; R161-M304 HydrophobicContact CB-SD 3.97Å; R161-M304 HydrophobicContact CG-CE 4.3Å; R161-M304 HydrophobicContact CG-SD 3.5Å; R161-M304 VanDerWaalsContact CG-SD 3.5Å; D274-M304 WeakPolarHBondContact OD2-CA 3.5Å; S295-M304 WeakPolarHBondContact CB-O 3.38Å; A302-M304 PolarHBondContact O-N 3.12Å; M304-I306 HydrophobicContact CE-CD1 3.55Å; M304-I306 HydrophobicContact CG-CD1 3.79Å; M304-I306 PolarHBondContact O-N 3.49Å; M304-I306 HydrophobicContact SD-CD1 4.49Å |
| 305 | L | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 123.2 | 163.3 | -170.6 | 157.7 | 0 | 0 | 0 | 109 | R161 D274 I275 T278 Y293 E294 L307 | R161-L305 WeakPolarHBondContact CB-O 3.34Å; R161-L305 VanDerWaalsContact CD-O 3.22Å; R161-L305 WeakPolarHBondContact CD-O 3.26Å; D274-L305 HydrophobicContact CB-CB 4.01Å; I275-L305 HydrophobicContact CG1-CD1 4.22Å; T278-L305 HydrophobicContact CG2-CD1 4.19Å; T278-L305 HydrophobicContact CG2-CD2 3.84Å; T278-L305 WeakPolarHBondContact OG1-CD2 3.3Å; Y293-L305 HydrophobicContact CD1-CD1 4.11Å; Y293-L305 HydrophobicContact CD2-CB 4.3Å; Y293-L305 HydrophobicContact CD2-CD1 3.58Å; Y293-L305 HydrophobicContact CD2-CG 3.57Å; Y293-L305 HydrophobicContact CE2-CD1 4.22Å; Y293-L305 HydrophobicContact CE2-CG 4.39Å; Y293-L305 HydrophobicContact CG-CD1 3.49Å; Y293-L305 VanDerWaalsContact CG-CD1 3.49Å; Y293-L305 HydrophobicContact CG-CG 3.83Å; E294-L305 WeakPolarHBondContact O-CA 3.24Å; L305-L307 HydrophobicContact CD2-CD2 3.94Å |
| 306 | I | 96.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 128.4 | 176.3 | -47.3 | -59.1 | 0 | 0 | 0 | 109.7 | R161 L225 L231 E294 F296 M304 L308 | R161-I306 VanDerWaalsContact O-CG2 3.29Å; R161-I306 WeakPolarHBondContact O-CG2 3.36Å; L225-I306 HydrophobicContact CD1-CG2 4.09Å; L231-I306 HydrophobicContact CD2-CG1 4.18Å; E294-I306 PolarHBondContact O-N 2.91Å; F296-I306 HydrophobicContact CD2-CD1 4.16Å; F296-I306 HydrophobicContact CE1-CD1 4.13Å; F296-I306 HydrophobicContact CE1-CG1 4.36Å; F296-I306 HydrophobicContact CE2-CD1 3.62Å; F296-I306 HydrophobicContact CZ-CD1 3.61Å; F296-I306 HydrophobicContact CZ-CG1 4.31Å; M304-I306 HydrophobicContact CE-CD1 3.55Å; M304-I306 HydrophobicContact CG-CD1 3.79Å; M304-I306 PolarHBondContact O-N 3.49Å; M304-I306 HydrophobicContact SD-CD1 4.49Å; I306-L308 VanDerWaalsContact C-N 3.28Å; I306-L308 HydrophobicContact CB-CG 4.24Å; I306-L308 HydrophobicContact CG2-CD1 4.27Å; I306-L308 HydrophobicContact CG2-CD2 3.78Å; I306-L308 HydrophobicContact CG2-CG 3.69Å; I306-L308 PolarHBondContact O-N 2.95Å |
| 307 | L | 97.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -82.4 | 72.3 | -178.9 | -65.6 | 175.3 | 0 | 0 | 0 | 110.9 | D154 R161 A162 T278 F281 L305 N310 | D154-L307 HydrophobicContact CB-CD1 4.44Å; D154-L307 WeakPolarHBondContact OD1-CD1 3.09Å; R161-L307 HydrophobicContact CB-CB 4.4Å; R161-L307 HydrophobicContact CB-CD1 4.05Å; R161-L307 HydrophobicContact CB-CG 3.89Å; R161-L307 PolarHBondContact O-N 2.85Å; A162-L307 HydrophobicContact CB-CB 4.13Å; T278-L307 HydrophobicContact CG2-CD2 3.63Å; F281-L307 HydrophobicContact CD1-CD1 3.93Å; F281-L307 HydrophobicContact CD1-CD2 3.91Å; F281-L307 HydrophobicContact CD1-CG 4.47Å; F281-L307 HydrophobicContact CD2-CD1 4.1Å; F281-L307 HydrophobicContact CE1-CB 4.47Å; F281-L307 HydrophobicContact CE1-CD1 3.94Å; F281-L307 HydrophobicContact CE1-CD2 4.23Å; F281-L307 HydrophobicContact CE1-CG 4.45Å; F281-L307 HydrophobicContact CE2-CD1 4.13Å; F281-L307 HydrophobicContact CG-CD1 3.98Å; F281-L307 HydrophobicContact CG-CD2 4.48Å; F281-L307 HydrophobicContact CZ-CD1 4.03Å; L305-L307 HydrophobicContact CD2-CD2 3.94Å; L307-N310 PolarHBondContact O-ND2 2.82Å | ||
| 308 | L | 95.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | trans | -89.7 | 158 | 174.3 | -59.3 | 178.8 | 0 | 0 | 0 | 112.2 | P163 L231 R290 E294 I306 | P163-L308 HydrophobicContact CG-CD2 3.75Å; L231-L308 HydrophobicContact CD1-CD1 3.52Å; R290-L308 PolarHBondContact NH1-O 3.09Å; R290-L308 VanDerWaalsContact NH1-O 3.09Å; E294-L308 HydrophobicContact CB-CD1 4Å; E294-L308 HydrophobicContact CG-CD1 4.06Å; I306-L308 VanDerWaalsContact C-N 3.28Å; I306-L308 HydrophobicContact CB-CG 4.24Å; I306-L308 HydrophobicContact CG2-CD1 4.27Å; I306-L308 HydrophobicContact CG2-CD2 3.78Å; I306-L308 HydrophobicContact CG2-CG 3.69Å; I306-L308 PolarHBondContact O-N 2.95Å | ||
| 309 | D | 91.7 | Very high | 90.8 | Very high | 87 Ų | 87 | 33.6 Ų | 33.6 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | trans | 51.8 | 61.8 | 173.3 | -77 | -40.8 | 0 | 0 | 0 | 113.8 | K123 A311 | K123-D309 IonicContact NZ-OD1 2.71Å; K123-D309 PolarHBondContact NZ-OD1 2.75Å; D309-A311 VanDerWaalsContact C-N 3.33Å | ||
| 310 | N | 98.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -91.3 | 7.8 | -178.6 | -49.4 | -65.9 | 0 | 0 | 0 | 112.8 | E147 A150 I285 R290 L307 K312 S313 | E147-N310 PolarHBondContact OE1-N 3.3Å; E147-N310 VanDerWaalsContact OE1-N 3.17Å; E147-N310 PolarHBondContact OE2-N 3.17Å; E147-N310 VanDerWaalsContact OE2-N 3.08Å; A150-N310 HydrophobicContact CB-CB 3.48Å; A150-N310 VanDerWaalsContact CB-CB 3.48Å; I285-N310 HydrophobicContact CD1-CB 4.4Å; R290-N310 PolarHBondContact NH2-OD1 3.24Å; L307-N310 PolarHBondContact O-ND2 2.82Å; N310-K312 PolarHBondContact O-N 3Å; N310-S313 WeakPolarHBondContact O-CB 3.42Å; N310-S313 PolarHBondContact O-N 2.93Å; N310-S313 PolarHBondContact O-OG 3.18Å | ||
| 311 | A | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -14.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | K123 D142 R143 E147 D309 S313 | K123-A311 HydrophobicContact CD-CB 3.95Å; D142-A311 HydrophobicContact CB-CB 3.48Å; D142-A311 VanDerWaalsContact CB-CB 3.48Å; D142-A311 WeakPolarHBondContact OD2-CB 3.37Å; R143-A311 PolarHBondContact N-O 3.36Å; E147-A311 HydrophobicContact CG-CB 3.78Å; E147-A311 VanDerWaalsContact OE1-CB 3.28Å; E147-A311 WeakPolarHBondContact OE1-CB 3.38Å; E147-A311 PolarHBondContact OE1-N 2.04Å; E147-A311 VanDerWaalsContact OE1-N 3.08Å; D309-A311 VanDerWaalsContact C-N 3.33Å; A311-S313 PolarHBondContact O-N 3.28Å |
| 312 | K | 97.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 20.1 | 174.1 | -70.3 | -72.7 | -160.4 | 156.8 | 0 | 113.6 | Y138 G140 R143 D289 N310 | Y138-K312 PolarHBondContact O-NZ 2.68Å; G140-K312 PolarHBondContact O-NZ 3.02Å; R143-K312 PolarHBondContact NH2-O 2.98Å; D289-K312 HydrophobicContact CB-CB 3.89Å; D289-K312 HydrophobicContact CB-CG 4.1Å; N310-K312 PolarHBondContact O-N 3Å |
| 313 | S | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -108.3 | 170.4 | -179.1 | -42.1 | 0 | 0 | 0 | 0 | 112.5 | R143 A146 I285 N287 N310 A311 G315 | R143-S313 PolarHBondContact NE-O 3.33Å; R143-S313 PolarHBondContact NH2-O 3.23Å; A146-S313 WeakPolarHBondContact CB-O 3.21Å; I285-S313 WeakPolarHBondContact CD1-OG 3.47Å; I285-S313 WeakPolarHBondContact CG1-OG 3.38Å; I285-S313 WeakPolarHBondContact O-CB 3.42Å; N287-S313 WeakPolarHBondContact CB-OG 3.37Å; N310-S313 WeakPolarHBondContact O-CB 3.42Å; N310-S313 PolarHBondContact O-N 2.93Å; N310-S313 PolarHBondContact O-OG 3.18Å; A311-S313 PolarHBondContact O-N 3.28Å; S313-G315 PolarHBondContact O-N 3.26Å | ||
| 314 | F | 98.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.022 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 52.9 | 41.5 | 178.6 | -56.1 | -78.2 | 0 | 0 | 0 | 112.7 | A146 A149 I285 L367 H371 L375 | A146-F314 HydrophobicContact CB-CB 4.41Å; A146-F314 HydrophobicContact CB-CD2 3.78Å; A149-F314 HydrophobicContact CB-CD2 4.22Å; A149-F314 HydrophobicContact CB-CE2 3.61Å; A149-F314 HydrophobicContact CB-CZ 3.96Å; I285-F314 HydrophobicContact CB-CD2 4.23Å; I285-F314 HydrophobicContact CB-CE1 4.27Å; I285-F314 HydrophobicContact CB-CE2 3.66Å; I285-F314 HydrophobicContact CB-CZ 3.69Å; I285-F314 HydrophobicContact CG2-CE1 4.32Å; I285-F314 HydrophobicContact CG2-CE2 3.69Å; I285-F314 HydrophobicContact CG2-CZ 3.46Å; I285-F314 VanDerWaalsContact CG2-CZ 3.46Å; I285-F314 PolarHBondContact O-N 3.01Å; F314-L367 HydrophobicContact CB-CD2 4.12Å; F314-L367 HydrophobicContact CD1-CD1 3.92Å; F314-L367 HydrophobicContact CD1-CD2 3.97Å; F314-L367 HydrophobicContact CD2-CD2 4.22Å; F314-L367 HydrophobicContact CE1-CD1 3.62Å; F314-L367 HydrophobicContact CE1-CD2 4.43Å; F314-L367 HydrophobicContact CG-CD2 3.85Å; F314-L367 HydrophobicContact CZ-CD1 3.95Å; F314-H371 VanDerWaalsContact C-CE1 3.42Å; F314-H371 HydrophobicContact CD1-CB 4.26Å; F314-H371 PolarHBondContact O-CE1 3.32Å; F314-H371 VanDerWaalsContact O-CE1 3.22Å; F314-H371 PolarHBondContact O-NE2 2.85Å; F314-L375 HydrophobicContact CE1-CD1 4.06Å; F314-L375 HydrophobicContact CE1-CD2 4.43Å; F314-L375 HydrophobicContact CE1-CG 4.32Å |
| 315 | G | 98.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -84.6 | -36.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V133 R143 S313 | V133-G315 PolarHBondContact N-O 3.07Å; R143-G315 VanDerWaalsContact CZ-CA 3.44Å; S313-G315 PolarHBondContact O-N 3.26Å |
| 316 | N | 98.3 | Very high | 97.5 | Very high | 39 Ų | 39 | 33.3 Ų | 33.3 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | trans | -142.5 | 117.3 | -176.9 | -168.1 | -30.5 | 0 | 0 | 0 | 109.9 | V132 A318 L319 R378 | V132-N316 HydrophobicContact CG1-CB 4.18Å; N316-A318 VanDerWaalsContact C-N 3.31Å; N316-A318 WeakPolarHBondContact OD1-CB 3.31Å; N316-A318 PolarHBondContact OD1-N 3.1Å; N316-L319 HydrophobicContact CB-CB 4.2Å; N316-L319 PolarHBondContact OD1-N 2.76Å; N316-R378 PolarHBondContact O-NH2 3.41Å | ||
| 317 | P | 98 | Very high | 97.5 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 20% | 0.195 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -78.7 | -14 | 178.2 | 30.9 | -32.6 | 0 | 0 | 0 | 113.3 | P370 H371 A374 | P317-P370 HydrophobicContact CB-CB 3.83Å; P317-P370 HydrophobicContact CG-CB 3.93Å; P317-H371 VanDerWaalsContact CD-CE1 3.47Å; P317-H371 WeakPolarHBondContact CD-CE1 3.22Å; P317-A374 HydrophobicContact CB-CB 4.39Å; P317-A374 WeakPolarHBondContact O-CB 3.28Å |
| 318 | A | 97.3 | Very high | 97.6 | Very high | 95 Ų | 95 | 33.5 Ų | 33.5 | 79% | 0.785 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -97.3 | -3.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N316 | N316-A318 VanDerWaalsContact C-N 3.31Å; N316-A318 WeakPolarHBondContact OD1-CB 3.31Å; N316-A318 PolarHBondContact OD1-N 3.1Å |
| 319 | L | 96.2 | Very high | 97.7 | Very high | 85 Ų | 85 | 35.2 Ų | 35.2 | 45% | 0.445 | 19% | 0.188 | S | C | . | . | trans | -118.6 | 125.3 | -179.1 | -178.3 | 66 | 0 | 0 | 0 | 110.8 | N316 R378 | N316-L319 HydrophobicContact CB-CB 4.2Å; N316-L319 PolarHBondContact OD1-N 2.76Å; L319-R378 PolarHBondContact O-NH2 3.03Å | ||
| 320 | D | 97.1 | Very high | 98.1 | Very high | 63 Ų | 63 | 32.7 Ų | 32.7 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | trans | -109.1 | 98.2 | 173.5 | -67 | -23.3 | 0 | 0 | 0 | 109.7 | Y283 R322 R378 | Y283-D320 HydrophobicContact CE2-CB 4.45Å; D320-R322 PolarHBondContact O-N 2.63Å; D320-R378 VanDerWaalsContact OD1-CG 3.25Å; D320-R378 WeakPolarHBondContact OD1-CG 3.44Å; D320-R378 IonicContact OD1-CZ 3.63Å; D320-R378 IonicContact OD1-NE 2.66Å; D320-R378 PolarHBondContact OD1-NE 2.96Å; D320-R378 IonicContact OD1-NH2 3.12Å | ||
| 321 | E | 97.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | trans | -75.2 | 86.3 | -175.6 | -179.3 | 50.2 | -106.8 | 0 | 0 | 111.5 | P137 Y283 A288 S323 I324 | P137-E321 HydrophobicContact CB-CG 4.23Å; P137-E321 HydrophobicContact CG-CG 4.32Å; P137-E321 WeakPolarHBondContact CG-OE2 3.45Å; Y283-E321 WeakPolarHBondContact CD2-O 3.4Å; A288-E321 HydrophobicContact CB-CG 4.38Å; E321-S323 VanDerWaalsContact CD-OG 3.24Å; E321-S323 PolarHBondContact O-N 3.12Å; E321-S323 VanDerWaalsContact O-N 3.09Å; E321-S323 VanDerWaalsContact OE1-CB 3.29Å; E321-S323 WeakPolarHBondContact OE1-CB 3.29Å; E321-S323 PolarHBondContact OE1-N 3.1Å; E321-S323 VanDerWaalsContact OE1-N 3.14Å; E321-S323 PolarHBondContact OE1-OG 3.48Å; E321-I324 HydrophobicContact CB-CD1 3.81Å; E321-I324 HydrophobicContact CB-CG1 4.22Å; E321-I324 HydrophobicContact CG-CD1 4.02Å; E321-I324 HydrophobicContact CG-CG1 3.92Å; E321-I324 WeakPolarHBondContact O-CG1 3.32Å; E321-I324 PolarHBondContact O-N 3.46Å; E321-I324 VanDerWaalsContact O-N 3.09Å | ||
| 322 | R | 97.5 | Very high | 98.1 | Very high | 147 Ų | 147 | 33.2 Ų | 33.2 | 56% | 0.555 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -53.8 | -31.1 | -176.6 | -176.2 | 175.8 | -178.1 | -112.5 | -0.3 | 113.3 | D320 I324 L325 | D320-R322 PolarHBondContact O-N 2.63Å; R322-I324 PolarHBondContact O-N 3.48Å; R322-I324 VanDerWaalsContact O-N 3.15Å; R322-L325 PolarHBondContact O-N 2.95Å |
| 323 | S | 97.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 33.4 Ų | 33.4 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -64.4 | -18.3 | -178.4 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | R240 E321 L325 A326 | R240-S323 PolarHBondContact NH1-OG 3.38Å; R240-S323 PolarHBondContact NH2-OG 2.93Å; E321-S323 VanDerWaalsContact CD-OG 3.24Å; E321-S323 PolarHBondContact O-N 3.12Å; E321-S323 VanDerWaalsContact O-N 3.09Å; E321-S323 VanDerWaalsContact OE1-CB 3.29Å; E321-S323 WeakPolarHBondContact OE1-CB 3.29Å; E321-S323 PolarHBondContact OE1-N 3.1Å; E321-S323 VanDerWaalsContact OE1-N 3.14Å; E321-S323 PolarHBondContact OE1-OG 3.48Å; S323-L325 VanDerWaalsContact C-N 3.25Å; S323-L325 PolarHBondContact O-N 3.31Å; S323-A326 VanDerWaalsContact O-CB 3.24Å; S323-A326 WeakPolarHBondContact O-CB 3.5Å; S323-A326 PolarHBondContact O-N 3.32Å |
| 324 | I | 98.8 | Very high | 98.1 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.087 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -63.2 | -33.6 | 171.9 | -59.8 | 164.8 | 0 | 0 | 0 | 111.1 | D282 Y283 A288 E321 R322 A326 P327 | D282-I324 HydrophobicContact CB-CG2 3.58Å; Y283-I324 HydrophobicContact CD2-CB 4.25Å; A288-I324 HydrophobicContact CB-CD1 4.12Å; A288-I324 HydrophobicContact CB-CG1 4.17Å; E321-I324 HydrophobicContact CB-CD1 3.81Å; E321-I324 HydrophobicContact CB-CG1 4.22Å; E321-I324 HydrophobicContact CG-CD1 4.02Å; E321-I324 HydrophobicContact CG-CG1 3.92Å; E321-I324 WeakPolarHBondContact O-CG1 3.32Å; E321-I324 PolarHBondContact O-N 3.46Å; E321-I324 VanDerWaalsContact O-N 3.09Å; R322-I324 PolarHBondContact O-N 3.48Å; R322-I324 VanDerWaalsContact O-N 3.15Å; I324-A326 PolarHBondContact O-N 2.9Å; I324-P327 VanDerWaalsContact O-CD 3.31Å; I324-P327 WeakPolarHBondContact O-CD 3.44Å |
| 325 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -78 | 6.8 | 177.5 | -70.9 | -177.9 | 0 | 0 | 0 | 114.1 | I280 Y283 R322 S323 P327 L328 Y329 I382 | I280-L325 HydrophobicContact CG1-CD2 4.46Å; Y283-L325 HydrophobicContact CD1-CD1 3.6Å; Y283-L325 HydrophobicContact CD1-CD2 3.94Å; Y283-L325 HydrophobicContact CD1-CG 3.76Å; Y283-L325 HydrophobicContact CD2-CD1 4.09Å; Y283-L325 HydrophobicContact CD2-CD2 4.46Å; Y283-L325 HydrophobicContact CD2-CG 3.72Å; Y283-L325 HydrophobicContact CE1-CD1 3.63Å; Y283-L325 HydrophobicContact CE1-CG 4.23Å; Y283-L325 HydrophobicContact CE2-CD1 4.14Å; Y283-L325 HydrophobicContact CE2-CG 4.22Å; Y283-L325 HydrophobicContact CG-CD1 3.82Å; Y283-L325 HydrophobicContact CG-CD2 3.73Å; Y283-L325 HydrophobicContact CG-CG 3.45Å; Y283-L325 VanDerWaalsContact CG-CG 3.45Å; R322-L325 PolarHBondContact O-N 2.95Å; S323-L325 VanDerWaalsContact C-N 3.25Å; S323-L325 PolarHBondContact O-N 3.31Å; L325-P327 VanDerWaalsContact C-CD 3.45Å; L325-P327 VanDerWaalsContact C-N 3.34Å; L325-L328 HydrophobicContact CD2-CD2 4.23Å; L325-L328 WeakPolarHBondContact O-CA 3.23Å; L325-L328 WeakPolarHBondContact O-CB 3.44Å; L325-L328 PolarHBondContact O-N 3.44Å; L325-Y329 VanDerWaalsContact C-CD1 3.4Å; L325-Y329 HydrophobicContact CB-CD1 4.05Å; L325-Y329 HydrophobicContact CB-CE1 4.45Å; L325-Y329 WeakPolarHBondContact O-CD1 3.36Å; L325-Y329 PolarHBondContact O-N 2.85Å; L325-I382 HydrophobicContact CD1-CG1 3.99Å; L325-I382 HydrophobicContact CD2-CG1 4.05Å |
| 326 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -50.7 | -43.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | W250 S323 I324 L328 Y329 Q330 | W250-A326 HydrophobicContact CE3-CB 3.84Å; W250-A326 HydrophobicContact CZ3-CB 3.95Å; S323-A326 VanDerWaalsContact O-CB 3.24Å; S323-A326 WeakPolarHBondContact O-CB 3.5Å; S323-A326 PolarHBondContact O-N 3.32Å; I324-A326 PolarHBondContact O-N 2.9Å; A326-L328 VanDerWaalsContact C-N 3.29Å; A326-L328 PolarHBondContact O-N 3.4Å; A326-Y329 HydrophobicContact CB-CE1 3.95Å; A326-Y329 HydrophobicContact CB-CE2 4.31Å; A326-Y329 WeakPolarHBondContact CB-OH 3.45Å; A326-Y329 VanDerWaalsContact N-CE1 3.3Å; A326-Q330 WeakPolarHBondContact O-CB 3.25Å; A326-Q330 VanDerWaalsContact O-CG 3.28Å; A326-Q330 WeakPolarHBondContact O-CG 3.27Å; A326-Q330 PolarHBondContact O-N 3.47Å |
| 327 | P | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -41.4 | 174.2 | -24.2 | 34.9 | 0 | 0 | 0 | 112.8 | W238 I275 I276 A279 I324 L325 C331 | W238-P327 HydrophobicContact CB-CG 4.18Å; W238-P327 HydrophobicContact CD2-CB 4.12Å; W238-P327 HydrophobicContact CD2-CG 3.6Å; W238-P327 HydrophobicContact CE3-CB 4.12Å; W238-P327 HydrophobicContact CE3-CG 3.8Å; W238-P327 HydrophobicContact CG-CG 3.75Å; W238-P327 HydrophobicContact CH2-CB 4.42Å; W238-P327 HydrophobicContact CZ2-CB 4.39Å; W238-P327 HydrophobicContact CZ3-CB 4.28Å; W238-P327 HydrophobicContact CZ3-CG 4.45Å; I275-P327 HydrophobicContact CG2-CB 3.92Å; I275-P327 HydrophobicContact CG2-CG 4.06Å; I276-P327 HydrophobicContact CG1-CB 4.1Å; A279-P327 HydrophobicContact CB-CB 4Å; A279-P327 HydrophobicContact CB-CG 3.73Å; I324-P327 VanDerWaalsContact O-CD 3.31Å; I324-P327 WeakPolarHBondContact O-CD 3.44Å; L325-P327 VanDerWaalsContact C-CD 3.45Å; L325-P327 VanDerWaalsContact C-N 3.34Å; P327-C331 WeakPolarHBondContact O-CB 3.29Å; P327-C331 PolarHBondContact O-N 3.27Å; P327-C331 VanDerWaalsContact O-N 3.08Å; P327-C331 PolarHBondContact O-SG 2.86Å |
| 328 | L | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.1 | -53.7 | -179.2 | 178.6 | 62.7 | 0 | 0 | 0 | 111.8 | I276 I280 L325 A326 Q330 C332 I334 I382 T385 V386 | I276-L328 HydrophobicContact CG2-CB 4.31Å; I276-L328 HydrophobicContact CG2-CD1 3.83Å; I280-L328 HydrophobicContact CD1-CD2 4.38Å; I280-L328 HydrophobicContact CG1-CD2 4.18Å; L325-L328 HydrophobicContact CD2-CD2 4.23Å; L325-L328 WeakPolarHBondContact O-CA 3.23Å; L325-L328 WeakPolarHBondContact O-CB 3.44Å; L325-L328 PolarHBondContact O-N 3.44Å; A326-L328 VanDerWaalsContact C-N 3.29Å; A326-L328 PolarHBondContact O-N 3.4Å; L328-Q330 PolarHBondContact O-N 2.95Å; L328-C332 WeakPolarHBondContact O-CA 3.23Å; L328-C332 PolarHBondContact O-N 3.4Å; L328-I334 HydrophobicContact CD1-CB 4.32Å; L328-I382 HydrophobicContact CD2-CG2 4.17Å; L328-T385 HydrophobicContact CD2-CG2 3.91Å; L328-T385 HydrophobicContact CG-CG2 4.02Å; L328-V386 HydrophobicContact CD1-CG2 4.18Å; L328-V386 HydrophobicContact CD2-CG2 4.04Å |
| 329 | Y | 98.4 | Very high | 97.6 | Very high | 65 Ų | 65 | 29.9 Ų | 29.9 | 26% | 0.255 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -75.9 | -20.7 | -174 | 68.7 | -114.3 | 0 | 0 | 0 | 113.9 | L325 A326 | L325-Y329 VanDerWaalsContact C-CD1 3.4Å; L325-Y329 HydrophobicContact CB-CD1 4.05Å; L325-Y329 HydrophobicContact CB-CE1 4.45Å; L325-Y329 WeakPolarHBondContact O-CD1 3.36Å; L325-Y329 PolarHBondContact O-N 2.85Å; A326-Y329 HydrophobicContact CB-CE1 3.95Å; A326-Y329 HydrophobicContact CB-CE2 4.31Å; A326-Y329 WeakPolarHBondContact CB-OH 3.45Å; A326-Y329 VanDerWaalsContact N-CE1 3.3Å |
| 330 | Q | 98.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 26.9 Ų | 26.9 | 16% | 0.164 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -86.9 | -37.8 | 174.4 | -66.5 | -178.6 | -16.6 | 0 | 0 | 112.2 | W250 C257 A326 L328 | W250-Q330 PolarHBondContact O-NE2 3.29Å; C257-Q330 HydrophobicContact CB-CB 3.88Å; A326-Q330 WeakPolarHBondContact O-CB 3.25Å; A326-Q330 VanDerWaalsContact O-CG 3.28Å; A326-Q330 WeakPolarHBondContact O-CG 3.27Å; A326-Q330 PolarHBondContact O-N 3.47Å; L328-Q330 PolarHBondContact O-N 2.95Å |
| 331 | C | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.02 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -85.2 | -26 | -177.8 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | W238 C257 K261 I276 P327 I333 | W238-C331 VanDerWaalsContact CH2-SG 3.59Å; C257-C331 HydrophobicContact CB-CB 4.05Å; C257-C331 WeakPolarHBondContact CB-SG 3.06Å; C257-C331 WeakPolarHBondContact SG-CA 3.42Å; C257-C331 WeakPolarHBondContact SG-CB 3.27Å; C257-C331 CovalentContact SG-SG 2.02Å; C257-C331 PolarHBondContact SG-SG 3.15Å; K261-C331 PolarHBondContact NZ-O 2.85Å; I276-C331 HydrophobicContact CD1-CB 3.94Å; P327-C331 WeakPolarHBondContact O-CB 3.29Å; P327-C331 PolarHBondContact O-N 3.27Å; P327-C331 VanDerWaalsContact O-N 3.08Å; P327-C331 PolarHBondContact O-SG 2.86Å; C331-I333 VanDerWaalsContact C-N 3.25Å; C331-I333 HydrophobicContact CB-CG1 4.17Å; C331-I333 PolarHBondContact O-N 3.34Å |
| 332 | C | 98.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | trans | 45.7 | 47.5 | -176.6 | -82.2 | 0 | 0 | 0 | 0 | 113.2 | L328 C389 F393 V398 | L328-C332 WeakPolarHBondContact O-CA 3.23Å; L328-C332 PolarHBondContact O-N 3.4Å; C332-C389 WeakPolarHBondContact CA-SG 3.41Å; C332-C389 HydrophobicContact CB-CB 3.56Å; C332-C389 WeakPolarHBondContact CB-SG 3.48Å; C332-C389 WeakPolarHBondContact SG-CB 3.34Å; C332-C389 CovalentContact SG-SG 2.05Å; C332-C389 PolarHBondContact SG-SG 3.32Å; C332-F393 HydrophobicContact CB-CD2 3.76Å; C332-F393 HydrophobicContact CB-CE2 3.86Å; C332-F393 VanDerWaalsContact SG-CE2 3.58Å; C332-V398 WeakPolarHBondContact O-CA 3.4Å; C332-V398 WeakPolarHBondContact O-CG2 3.3Å | ||
| 333 | I | 97.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 17.5 Ų | 17.5 | 11% | 0.113 | 9% | 0.086 | C | C | . | . | trans | -134.6 | 150.7 | 170.1 | 63.4 | 179.6 | 0 | 0 | 0 | 109 | L272 L273 I276 C331 V398 V400 | L272-I333 HydrophobicContact CD2-CD1 3.88Å; L272-I333 HydrophobicContact CG-CD1 4.21Å; L273-I333 HydrophobicContact CD2-CB 4.44Å; L273-I333 HydrophobicContact CD2-CD1 3.93Å; L273-I333 HydrophobicContact CD2-CG1 4Å; I276-I333 HydrophobicContact CD1-CD1 3.88Å; I276-I333 HydrophobicContact CD1-CG1 3.29Å; I276-I333 WeakPolarHBondContact CD1-O 3.34Å; I276-I333 WeakPolarHBondContact CG2-O 3.4Å; C331-I333 VanDerWaalsContact C-N 3.25Å; C331-I333 HydrophobicContact CB-CG1 4.17Å; C331-I333 PolarHBondContact O-N 3.34Å; I333-V398 CarbonylContact C-O 3.58Å; I333-V398 VanDerWaalsContact CA-O 3.26Å; I333-V398 WeakPolarHBondContact CA-O 3.38Å; I333-V400 HydrophobicContact CB-CG2 3.92Å; I333-V400 HydrophobicContact CG2-CG2 4.17Å | ||
| 334 | I | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 148.8 | 176.7 | -173.1 | 172.3 | 0 | 0 | 0 | 109.1 | I280 L328 T338 W339 L342 V386 V398 L399 V400 | I280-I334 HydrophobicContact CD1-CD1 3.62Å; I280-I334 HydrophobicContact CD1-CG1 4.13Å; L328-I334 HydrophobicContact CD1-CB 4.32Å; I334-T338 HydrophobicContact CD1-CG2 4.12Å; I334-T338 HydrophobicContact CG1-CG2 4.27Å; I334-W339 HydrophobicContact CD1-CB 4.31Å; I334-W339 HydrophobicContact CG2-CB 4.35Å; I334-L342 HydrophobicContact CD1-CD1 4.05Å; I334-V386 HydrophobicContact CD1-CG2 3.83Å; I334-V386 HydrophobicContact CG2-CG1 4.01Å; I334-V398 HydrophobicContact CG2-CG1 4.26Å; I334-V398 PolarHBondContact N-O 2.84Å; I334-L399 HydrophobicContact CG2-CD2 3.71Å; I334-V400 PolarHBondContact O-N 2.92Å |
| 335 | R | 96.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 18.3 Ų | 18.3 | 5% | 0.049 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 138.8 | 172.2 | -72.1 | -175.5 | 171.7 | 112.5 | 0.3 | 111.2 | P270 L273 D274 D277 S337 T338 W339 V400 D402 | P270-R335 PolarHBondContact O-NH2 2.78Å; P270-R335 VanDerWaalsContact O-NH2 3.11Å; L273-R335 VanDerWaalsContact C-NH1 3.27Å; L273-R335 HydrophobicContact CB-CG 4.08Å; L273-R335 HydrophobicContact CD1-CG 4.08Å; L273-R335 HydrophobicContact CD2-CG 4.24Å; L273-R335 HydrophobicContact CG-CG 4.37Å; L273-R335 PolarHBondContact O-NH1 2.83Å; D274-R335 IonicContact OD1-CZ 3.67Å; D274-R335 IonicContact OD1-NH1 3.79Å; D274-R335 PolarHBondContact OD1-NH1 2.83Å; D274-R335 IonicContact OD1-NH2 2.73Å; D274-R335 PolarHBondContact OD1-NH2 3.39Å; D277-R335 IonicContact OD2-CZ 3.56Å; D277-R335 IonicContact OD2-NE 2.76Å; D277-R335 IonicContact OD2-NH1 3.73Å; D277-R335 PolarHBondContact OD2-NH1 3.03Å; R335-S337 VanDerWaalsContact C-N 3.3Å; R335-S337 PolarHBondContact O-N 2.81Å; R335-T338 PolarHBondContact O-N 3.43Å; R335-W339 WeakPolarHBondContact O-CB 3.23Å; R335-W339 PolarHBondContact O-N 3.33Å; R335-V400 WeakPolarHBondContact CA-O 3.39Å; R335-D402 HydrophobicContact CB-CB 4.19Å; R335-D402 HydrophobicContact CG-CB 3.92Å |
| 336 | V | 95.4 | Very high | 97.7 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 8% | 0.079 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.2 | -45.5 | 173.3 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | T338 W339 N340 L399 V400 E401 | V336-T338 PolarHBondContact O-N 2.61Å; V336-W339 PolarHBondContact O-N 3.26Å; V336-N340 WeakPolarHBondContact CG1-ND2 3.35Å; V336-N340 WeakPolarHBondContact O-CB 3.4Å; V336-N340 PolarHBondContact O-N 3.17Å; V336-N340 PolarHBondContact O-ND2 3.38Å; V336-L399 HydrophobicContact CG2-CB 3.95Å; V336-V400 PolarHBondContact N-O 2.94Å; V336-E401 HydrophobicContact CG2-CG 4.32Å |
| 337 | S | 94.5 | Very high | 97.6 | Very high | 23 Ų | 23 | 29 Ų | 29 | 16% | 0.161 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | R335 N340 R341 D402 | R335-S337 VanDerWaalsContact C-N 3.3Å; R335-S337 PolarHBondContact O-N 2.81Å; S337-N340 PolarHBondContact O-N 2.83Å; S337-R341 VanDerWaalsContact O-CB 3.3Å; S337-R341 WeakPolarHBondContact O-CB 2.97Å; S337-R341 PolarHBondContact O-N 3.45Å; S337-D402 WeakPolarHBondContact CB-OD2 3.17Å; S337-D402 PolarHBondContact OG-OD2 3.31Å |
| 338 | T | 97.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 174.5 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | F159 D277 I280 I334 R335 V336 N340 R341 L342 | F159-T338 HydrophobicContact CE1-CG2 4Å; F159-T338 HydrophobicContact CZ-CG2 3.99Å; D277-T338 VanDerWaalsContact CG-OG1 3.31Å; D277-T338 WeakPolarHBondContact OD1-CB 3.24Å; D277-T338 WeakPolarHBondContact OD1-CG2 3.26Å; D277-T338 PolarHBondContact OD1-OG1 2.82Å; D277-T338 PolarHBondContact OD2-OG1 2.79Å; I280-T338 HydrophobicContact CD1-CG2 4.05Å; I334-T338 HydrophobicContact CD1-CG2 4.12Å; I334-T338 HydrophobicContact CG1-CG2 4.27Å; R335-T338 PolarHBondContact O-N 3.43Å; V336-T338 PolarHBondContact O-N 2.61Å; T338-N340 PolarHBondContact O-N 3.4Å; T338-R341 PolarHBondContact O-N 3.12Å; T338-L342 HydrophobicContact CG2-CD1 3.92Å; T338-L342 HydrophobicContact CG2-CG 4.3Å; T338-L342 WeakPolarHBondContact O-CG 3.16Å; T338-L342 PolarHBondContact O-N 3.2Å |
| 339 | W | 97.7 | Very high | 97.5 | Very high | 51 Ų | 51 | 32 Ų | 32 | 19% | 0.193 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 177.8 | 172.3 | -113.1 | 0 | 0 | 0 | 112.6 | I334 R335 V336 L342 N343 L383 V386 L399 | I334-W339 HydrophobicContact CD1-CB 4.31Å; I334-W339 HydrophobicContact CG2-CB 4.35Å; R335-W339 WeakPolarHBondContact O-CB 3.23Å; R335-W339 PolarHBondContact O-N 3.33Å; V336-W339 PolarHBondContact O-N 3.26Å; W339-L342 PolarHBondContact O-N 2.82Å; W339-N343 VanDerWaalsContact CD2-ND2 3.27Å; W339-N343 WeakPolarHBondContact CZ2-ND2 3.26Å; W339-N343 PolarHBondContact O-N 2.99Å; W339-N343 VanDerWaalsContact O-N 3.1Å; W339-N343 PolarHBondContact O-ND2 2.68Å; W339-L383 HydrophobicContact CE3-CD2 4.07Å; W339-L383 HydrophobicContact CH2-CD2 3.99Å; W339-L383 HydrophobicContact CZ3-CD2 3.44Å; W339-L383 VanDerWaalsContact CZ3-CD2 3.44Å; W339-V386 HydrophobicContact CD2-CG1 4.17Å; W339-V386 HydrophobicContact CE3-CB 3.93Å; W339-V386 HydrophobicContact CE3-CG1 3.55Å; W339-V386 HydrophobicContact CE3-CG2 4.09Å; W339-V386 HydrophobicContact CH2-CB 4.27Å; W339-V386 HydrophobicContact CH2-CG1 4.08Å; W339-V386 HydrophobicContact CZ3-CB 3.52Å; W339-V386 HydrophobicContact CZ3-CG1 3.5Å; W339-V386 VanDerWaalsContact CZ3-CG1 3.5Å; W339-V386 HydrophobicContact CZ3-CG2 4.02Å; W339-L399 HydrophobicContact CB-CD2 4.1Å; W339-L399 HydrophobicContact CD2-CD2 4.35Å; W339-L399 HydrophobicContact CG-CD2 3.82Å |
| 340 | N | 96.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 29 Ų | 29 | 12% | 0.118 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.7 | -69.4 | -17.6 | 0 | 0 | 0 | 110.7 | D37 V336 S337 T338 L342 N343 Y344 | D37-N340 HydrophobicContact CB-CB 4.28Å; D37-N340 PolarHBondContact OD2-ND2 3.38Å; V336-N340 WeakPolarHBondContact CG1-ND2 3.35Å; V336-N340 WeakPolarHBondContact O-CB 3.4Å; V336-N340 PolarHBondContact O-N 3.17Å; V336-N340 PolarHBondContact O-ND2 3.38Å; S337-N340 PolarHBondContact O-N 2.83Å; T338-N340 PolarHBondContact O-N 3.4Å; N340-L342 PolarHBondContact O-N 3.19Å; N340-N343 PolarHBondContact O-N 2.86Å; N340-Y344 HydrophobicContact CB-CE2 4.19Å; N340-Y344 WeakPolarHBondContact O-CD2 3.32Å; N340-Y344 PolarHBondContact O-N 2.75Å |
| 341 | R | 97.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 29.4 Ų | 29.4 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.5 | -49.3 | 176.8 | -175.2 | 74 | 65.3 | -139.9 | -4.2 | 112.2 | D37 F41 I156 L157 S337 T338 N343 Y344 L345 | D37-R341 PolarHBondContact O-NH1 2.78Å; F41-R341 VanDerWaalsContact N-NH1 3.18Å; I156-R341 WeakPolarHBondContact O-CD 3.18Å; L157-R341 WeakPolarHBondContact O-CG 3.15Å; L157-R341 PolarHBondContact O-NE 3.4Å; S337-R341 VanDerWaalsContact O-CB 3.3Å; S337-R341 WeakPolarHBondContact O-CB 2.97Å; S337-R341 PolarHBondContact O-N 3.45Å; T338-R341 PolarHBondContact O-N 3.12Å; R341-N343 VanDerWaalsContact C-N 3.27Å; R341-N343 PolarHBondContact O-N 3.1Å; R341-Y344 PolarHBondContact O-N 2.54Å; R341-Y344 VanDerWaalsContact O-N 3.15Å; R341-L345 HydrophobicContact CG-CD1 3.9Å; R341-L345 WeakPolarHBondContact O-CG 3.47Å; R341-L345 PolarHBondContact O-N 2.87Å |
| 342 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 179.4 | -67.8 | 168.7 | 0 | 0 | 0 | 111.6 | L157 I280 I334 T338 W339 N340 L345 K346 L379 I382 L383 | L157-L342 HydrophobicContact CD2-CD2 4Å; I280-L342 HydrophobicContact CD1-CD1 4.32Å; I280-L342 HydrophobicContact CG2-CD1 4.19Å; I280-L342 HydrophobicContact CG2-CD2 4.07Å; I334-L342 HydrophobicContact CD1-CD1 4.05Å; T338-L342 HydrophobicContact CG2-CD1 3.92Å; T338-L342 HydrophobicContact CG2-CG 4.3Å; T338-L342 WeakPolarHBondContact O-CG 3.16Å; T338-L342 PolarHBondContact O-N 3.2Å; W339-L342 PolarHBondContact O-N 2.82Å; N340-L342 PolarHBondContact O-N 3.19Å; L342-L345 PolarHBondContact O-N 3.01Å; L342-K346 PolarHBondContact O-N 3.38Å; L342-L379 HydrophobicContact CB-CD1 3.95Å; L342-L379 HydrophobicContact CD2-CD1 3.51Å; L342-L379 HydrophobicContact CG-CD1 4.29Å; L342-I382 HydrophobicContact CD1-CG2 3.79Å; L342-L383 HydrophobicContact CB-CD2 3.94Å |
| 343 | N | 98.1 | Very high | 97.5 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 20% | 0.203 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.5 | -32.9 | 176.1 | -87.5 | -79.3 | 0 | 0 | 0 | 113.6 | W339 N340 R341 L345 K346 | W339-N343 VanDerWaalsContact CD2-ND2 3.27Å; W339-N343 WeakPolarHBondContact CZ2-ND2 3.26Å; W339-N343 PolarHBondContact O-N 2.99Å; W339-N343 VanDerWaalsContact O-N 3.1Å; W339-N343 PolarHBondContact O-ND2 2.68Å; N340-N343 PolarHBondContact O-N 2.86Å; R341-N343 VanDerWaalsContact C-N 3.27Å; R341-N343 PolarHBondContact O-N 3.1Å; N343-L345 VanDerWaalsContact C-N 3.28Å; N343-K346 VanDerWaalsContact O-CD 3.31Å; N343-K346 WeakPolarHBondContact O-CD 3.47Å; N343-K346 WeakPolarHBondContact O-CE 3.41Å; N343-K346 VanDerWaalsContact O-CG 3.22Å; N343-K346 WeakPolarHBondContact O-CG 3.38Å |
| 344 | Y | 97.9 | Very high | 97.5 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.1 | -23.7 | 174 | -61.1 | -40.7 | 0 | 0 | 0 | 113.1 | N34 D37 Q38 F41 N340 R341 | N34-Y344 PolarHBondContact OD1-OH 2.96Å; D37-Y344 HydrophobicContact CB-CE2 4.38Å; Q38-Y344 HydrophobicContact CB-CE2 4.49Å; F41-Y344 HydrophobicContact CB-CD2 3.9Å; F41-Y344 HydrophobicContact CB-CE2 4.4Å; F41-Y344 HydrophobicContact CD1-CD2 4.4Å; F41-Y344 HydrophobicContact CD1-CG 4.21Å; F41-Y344 HydrophobicContact CD2-CD2 4.11Å; F41-Y344 HydrophobicContact CD2-CG 4.25Å; F41-Y344 AromaticContact CG-CD2 3.87Å; F41-Y344 HydrophobicContact CG-CD2 3.87Å; F41-Y344 HydrophobicContact CG-CG 4.07Å; N340-Y344 HydrophobicContact CB-CE2 4.19Å; N340-Y344 WeakPolarHBondContact O-CD2 3.32Å; N340-Y344 PolarHBondContact O-N 2.75Å; R341-Y344 PolarHBondContact O-N 2.54Å; R341-Y344 VanDerWaalsContact O-N 3.15Å |
| 345 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.7 | -176.8 | -71.6 | 169.3 | 0 | 0 | 0 | 114.5 | F41 I156 L157 R341 L342 N343 V349 L350 L379 | F41-L345 HydrophobicContact CE2-CD2 3.85Å; F41-L345 HydrophobicContact CE2-CG 4.09Å; F41-L345 HydrophobicContact CZ-CD2 4.45Å; I156-L345 HydrophobicContact CG2-CD1 3.96Å; I156-L345 HydrophobicContact CG2-CD2 3.57Å; I156-L345 HydrophobicContact CG2-CG 4.45Å; L157-L345 HydrophobicContact CD2-CD1 3.77Å; R341-L345 HydrophobicContact CG-CD1 3.9Å; R341-L345 WeakPolarHBondContact O-CG 3.47Å; R341-L345 PolarHBondContact O-N 2.87Å; L342-L345 PolarHBondContact O-N 3.01Å; N343-L345 VanDerWaalsContact C-N 3.28Å; L345-V349 HydrophobicContact CD2-CG1 4.28Å; L345-L350 HydrophobicContact CB-CB 4.17Å; L345-L350 HydrophobicContact CD1-CD1 4.36Å; L345-L350 HydrophobicContact CD2-CD1 4.43Å; L345-L350 WeakPolarHBondContact O-CB 3.42Å; L345-L350 PolarHBondContact O-N 3.4Å; L345-L379 HydrophobicContact CB-CD2 3.99Å; L345-L379 WeakPolarHBondContact O-CD2 3.5Å |
| 346 | K | 96.4 | Very high | 97.6 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 35% | 0.352 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 177.3 | 179.5 | 74.8 | -170.1 | 173.7 | -174.3 | 0 | 112.9 | L342 N343 G348 V349 L379 L383 | L342-K346 PolarHBondContact O-N 3.38Å; N343-K346 VanDerWaalsContact O-CD 3.31Å; N343-K346 WeakPolarHBondContact O-CD 3.47Å; N343-K346 WeakPolarHBondContact O-CE 3.41Å; N343-K346 VanDerWaalsContact O-CG 3.22Å; N343-K346 WeakPolarHBondContact O-CG 3.38Å; K346-G348 VanDerWaalsContact C-N 3.35Å; K346-G348 PolarHBondContact O-N 2.8Å; K346-V349 WeakPolarHBondContact O-CB 3.37Å; K346-V349 VanDerWaalsContact O-CG2 3.26Å; K346-V349 WeakPolarHBondContact O-CG2 3.36Å; K346-V349 PolarHBondContact O-N 3.31Å; K346-L379 HydrophobicContact CB-CD2 4.47Å; K346-L383 HydrophobicContact CB-CD1 4.18Å |
| 347 | N | 96.6 | Very high | 97.7 | Very high | 143 Ų | 143 | 36.4 Ų | 36.4 | 77% | 0.765 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 38.5 | 175.1 | -56.7 | -23 | 0 | 0 | 0 | 114.1 | V349 | N347-V349 VanDerWaalsContact C-N 3.3Å; N347-V349 PolarHBondContact O-N 2.97Å |
| 348 | G | 96.9 | Very high | 97.9 | Very high | 24 Ų | 24 | 35.7 Ų | 35.7 | 25% | 0.247 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 1.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K346 S352 D376 | K346-G348 VanDerWaalsContact C-N 3.35Å; K346-G348 PolarHBondContact O-N 2.8Å; G348-S352 WeakPolarHBondContact O-CB 3.47Å; G348-S352 PolarHBondContact O-N 2.81Å; G348-S352 VanDerWaalsContact O-N 3.16Å; G348-S352 PolarHBondContact O-OG 3.29Å; G348-D376 WeakPolarHBondContact CA-OD2 3.48Å |
| 349 | V | 98.5 | Very high | 97.8 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.7 | -40.4 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | F41 M45 L345 K346 N347 S352 A353 | F41-V349 HydrophobicContact CZ-CG1 4.08Å; M45-V349 HydrophobicContact CE-CG1 4.24Å; M45-V349 HydrophobicContact SD-CG1 4.42Å; L345-V349 HydrophobicContact CD2-CG1 4.28Å; K346-V349 WeakPolarHBondContact O-CB 3.37Å; K346-V349 VanDerWaalsContact O-CG2 3.26Å; K346-V349 WeakPolarHBondContact O-CG2 3.36Å; K346-V349 PolarHBondContact O-N 3.31Å; N347-V349 VanDerWaalsContact C-N 3.3Å; N347-V349 PolarHBondContact O-N 2.97Å; V349-S352 PolarHBondContact O-N 3.11Å; V349-A353 VanDerWaalsContact O-CB 3.24Å; V349-A353 WeakPolarHBondContact O-CB 3.39Å; V349-A353 PolarHBondContact O-N 3.16Å |
| 350 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58 | -55.8 | 177.5 | 177.7 | 57.3 | 0 | 0 | 0 | 112.2 | L153 I156 L284 L345 S352 A353 L354 L375 D376 L379 | L153-L350 HydrophobicContact CD1-CD1 3.64Å; I156-L350 HydrophobicContact CG2-CD1 4.06Å; L284-L350 HydrophobicContact CD2-CD2 4Å; L345-L350 HydrophobicContact CB-CB 4.17Å; L345-L350 HydrophobicContact CD1-CD1 4.36Å; L345-L350 HydrophobicContact CD2-CD1 4.43Å; L345-L350 WeakPolarHBondContact O-CB 3.42Å; L345-L350 PolarHBondContact O-N 3.4Å; L350-S352 VanDerWaalsContact C-N 3.3Å; L350-S352 PolarHBondContact O-N 2.7Å; L350-A353 PolarHBondContact O-N 3.11Å; L350-L354 PolarHBondContact O-N 3.42Å; L350-L375 HydrophobicContact CD2-CB 4.1Å; L350-L375 HydrophobicContact CD2-CD2 4.45Å; L350-L375 HydrophobicContact CG-CB 4.48Å; L350-D376 WeakPolarHBondContact CB-OD1 3.47Å; L350-L379 HydrophobicContact CB-CD2 4.12Å; L350-L379 HydrophobicContact CD2-CB 4.09Å; L350-L379 HydrophobicContact CD2-CD2 4.06Å |
| 351 | K | 98 | Very high | 97.7 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -51.9 | -48.9 | 174.4 | 162.4 | 165 | -173.3 | -174.1 | 0 | 112.2 | L354 K355 L372 D373 D376 | K351-L354 PolarHBondContact O-N 2.9Å; K351-K355 VanDerWaalsContact O-CB 3.31Å; K351-K355 WeakPolarHBondContact O-CB 3.41Å; K351-K355 PolarHBondContact O-N 2.78Å; K351-L372 HydrophobicContact CD-CB 3.96Å; K351-L372 HydrophobicContact CG-CB 3.91Å; K351-D373 IonicContact NZ-OD1 2.79Å; K351-D373 PolarHBondContact NZ-OD1 3.46Å; K351-D373 IonicContact NZ-OD2 3.89Å; K351-D376 WeakPolarHBondContact CB-OD2 3.26Å; K351-D376 PolarHBondContact N-OD1 3.5Å |
| 352 | S | 98.4 | Very high | 97.8 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 53% | 0.531 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -42.9 | -177.1 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | G348 V349 L350 A356 | G348-S352 WeakPolarHBondContact O-CB 3.47Å; G348-S352 PolarHBondContact O-N 2.81Å; G348-S352 VanDerWaalsContact O-N 3.16Å; G348-S352 PolarHBondContact O-OG 3.29Å; V349-S352 PolarHBondContact O-N 3.11Å; L350-S352 VanDerWaalsContact C-N 3.3Å; L350-S352 PolarHBondContact O-N 2.7Å; S352-A356 WeakPolarHBondContact O-CB 3.46Å; S352-A356 PolarHBondContact O-N 3.5Å |
| 353 | A | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | M45 L48 I156 V349 L350 A356 A357 | M45-A353 HydrophobicContact CE-CB 4.36Å; M45-A353 HydrophobicContact SD-CB 4.1Å; L48-A353 HydrophobicContact CD1-CB 3.81Å; L48-A353 HydrophobicContact CD2-CB 4.24Å; I156-A353 HydrophobicContact CD1-CB 4.03Å; I156-A353 HydrophobicContact CG1-CB 4.37Å; I156-A353 HydrophobicContact CG2-CB 4.29Å; V349-A353 VanDerWaalsContact O-CB 3.24Å; V349-A353 WeakPolarHBondContact O-CB 3.39Å; V349-A353 PolarHBondContact O-N 3.16Å; L350-A353 PolarHBondContact O-N 3.11Å; A353-A356 PolarHBondContact O-N 3.3Å; A353-A357 WeakPolarHBondContact O-CB 3.08Å; A353-A357 PolarHBondContact O-N 2.77Å |
| 354 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -43.2 | -180 | -173.2 | 62.2 | 0 | 0 | 0 | 111.8 | H152 L153 I156 L350 K351 A356 A357 M358 L367 L372 L375 | H152-L354 HydrophobicContact CB-CD1 3.74Å; L153-L354 HydrophobicContact CB-CD1 4.3Å; I156-L354 VanDerWaalsContact CD1-CA 3.43Å; I156-L354 HydrophobicContact CD1-CB 3.86Å; I156-L354 HydrophobicContact CD1-CD1 3.86Å; I156-L354 HydrophobicContact CD1-CG 4.49Å; L350-L354 PolarHBondContact O-N 3.42Å; K351-L354 PolarHBondContact O-N 2.9Å; L354-A356 VanDerWaalsContact C-N 3.29Å; L354-A356 PolarHBondContact O-N 3.19Å; L354-A357 PolarHBondContact O-N 3.45Å; L354-M358 HydrophobicContact CD1-CE 4.37Å; L354-M358 HydrophobicContact CD1-CG 4.14Å; L354-M358 HydrophobicContact CD1-SD 3.93Å; L354-M358 HydrophobicContact CD2-CE 4.36Å; L354-M358 HydrophobicContact CG-CE 3.78Å; L354-M358 HydrophobicContact CG-SD 3.99Å; L354-M358 WeakPolarHBondContact O-CG 3.07Å; L354-M358 PolarHBondContact O-N 3.33Å; L354-M358 VanDerWaalsContact O-N 3.09Å; L354-L367 HydrophobicContact CD2-CD1 3.99Å; L354-L372 HydrophobicContact CB-CD2 4.36Å; L354-L372 HydrophobicContact CD2-CD2 4.06Å; L354-L372 HydrophobicContact CG-CD2 4.29Å; L354-L375 HydrophobicContact CD2-CD1 3.25Å |
| 355 | K | 98.2 | Very high | 97.7 | Very high | 105 Ų | 105 | 43.2 Ų | 43.2 | 46% | 0.457 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 174.2 | -170.5 | 168.1 | -171.4 | 156.4 | 0 | 111.6 | K351 S359 D369 L372 | K351-K355 VanDerWaalsContact O-CB 3.31Å; K351-K355 WeakPolarHBondContact O-CB 3.41Å; K351-K355 PolarHBondContact O-N 2.78Å; K355-S359 PolarHBondContact O-N 3.08Å; K355-D369 IonicContact NZ-OD1 3.4Å; K355-D369 PolarHBondContact NZ-OD1 2.88Å; K355-D369 IonicContact NZ-OD2 3.47Å; K355-L372 HydrophobicContact CB-CD1 4.08Å; K355-L372 HydrophobicContact CD-CD1 3.98Å; K355-L372 HydrophobicContact CG-CD1 4.17Å |
| 356 | A | 98.2 | Very high | 97.8 | Very high | 23 Ų | 23 | 43.3 Ų | 43.3 | 19% | 0.19 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L48 S352 A353 L354 M358 S359 | L48-A356 HydrophobicContact CD1-CB 4.4Å; S352-A356 WeakPolarHBondContact O-CB 3.46Å; S352-A356 PolarHBondContact O-N 3.5Å; A353-A356 PolarHBondContact O-N 3.3Å; L354-A356 VanDerWaalsContact C-N 3.29Å; L354-A356 PolarHBondContact O-N 3.19Å; A356-M358 VanDerWaalsContact C-N 3.35Å; A356-M358 PolarHBondContact O-N 3.49Å; A356-S359 WeakPolarHBondContact O-CB 3.38Å; A356-S359 PolarHBondContact O-N 2.82Å; A356-S359 PolarHBondContact O-OG 3.28Å |
| 357 | A | 98 | Very high | 97.9 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -36.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L48 H152 I156 A353 L354 S359 | L48-A357 HydrophobicContact CB-CB 4.42Å; L48-A357 HydrophobicContact CD2-CB 4.23Å; L48-A357 WeakPolarHBondContact O-CA 3.23Å; H152-A357 HydrophobicContact CB-CB 4.14Å; H152-A357 PolarHBondContact CE1-O 2.9Å; H152-A357 PolarHBondContact ND1-O 2.91Å; I156-A357 HydrophobicContact CD1-CB 4.22Å; A353-A357 WeakPolarHBondContact O-CB 3.08Å; A353-A357 PolarHBondContact O-N 2.77Å; L354-A357 PolarHBondContact O-N 3.45Å; A357-S359 VanDerWaalsContact C-N 3.34Å |
| 358 | M | 98.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -6 | 179.3 | -61.7 | -177.8 | -50.1 | 0 | 0 | 113.7 | A149 H152 L354 A356 H360 D361 V366 L367 L372 | A149-M358 HydrophobicContact CB-SD 3.72Å; H152-M358 HydrophobicContact CB-CG 4.06Å; L354-M358 HydrophobicContact CD1-CE 4.37Å; L354-M358 HydrophobicContact CD1-CG 4.14Å; L354-M358 HydrophobicContact CD1-SD 3.93Å; L354-M358 HydrophobicContact CD2-CE 4.36Å; L354-M358 HydrophobicContact CG-CE 3.78Å; L354-M358 HydrophobicContact CG-SD 3.99Å; L354-M358 WeakPolarHBondContact O-CG 3.07Å; L354-M358 PolarHBondContact O-N 3.33Å; L354-M358 VanDerWaalsContact O-N 3.09Å; A356-M358 VanDerWaalsContact C-N 3.35Å; A356-M358 PolarHBondContact O-N 3.49Å; M358-H360 VanDerWaalsContact C-N 3.27Å; M358-H360 PolarHBondContact O-N 2.05Å; M358-D361 WeakPolarHBondContact O-CB 3.49Å; M358-D361 PolarHBondContact O-N 2.87Å; M358-V366 HydrophobicContact CB-CB 4.15Å; M358-V366 HydrophobicContact CB-CG2 3.9Å; M358-V366 HydrophobicContact CE-CB 4.25Å; M358-V366 HydrophobicContact CG-CB 4.34Å; M358-V366 HydrophobicContact CG-CG2 4.38Å; M358-V366 HydrophobicContact SD-CB 3.7Å; M358-V366 HydrophobicContact SD-CG1 3.73Å; M358-V366 HydrophobicContact SD-CG2 4.36Å; M358-L367 HydrophobicContact CE-CB 4.09Å; M358-L367 HydrophobicContact CE-CD1 4.06Å; M358-L367 HydrophobicContact CE-CG 3.99Å; M358-L367 HydrophobicContact SD-CD1 4.36Å; M358-L367 HydrophobicContact SD-CG 4.22Å; M358-L372 HydrophobicContact CE-CD2 4.21Å |
| 359 | S | 96.6 | Very high | 98 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.4 | -168.8 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | K355 A356 A357 S364 | K355-S359 PolarHBondContact O-N 3.08Å; A356-S359 WeakPolarHBondContact O-CB 3.38Å; A356-S359 PolarHBondContact O-N 2.82Å; A356-S359 PolarHBondContact O-OG 3.28Å; A357-S359 VanDerWaalsContact C-N 3.34Å; S359-S364 PolarHBondContact O-OG 2.97Å |
| 360 | H | 93.9 | Very high | 98 | Very high | 90 Ų | 90 | 38.2 Ų | 38.2 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 3 | -179.2 | -66.4 | 66.5 | 0 | 0 | 0 | 112.7 | M358 | M358-H360 VanDerWaalsContact C-N 3.27Å; M358-H360 PolarHBondContact O-N 2.05Å |
| 361 | D | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -66 | 139.6 | 172.8 | -173.9 | -75.4 | 0 | 0 | 0 | 109.7 | V148 G167 M358 I363 S364 V366 | V148-D361 HydrophobicContact CG1-CB 4.42Å; V148-D361 WeakPolarHBondContact CG1-OD2 3Å; G167-D361 WeakPolarHBondContact CA-OD1 3.49Å; G167-D361 PolarHBondContact N-OD1 3.46Å; G167-D361 PolarHBondContact N-OD2 3.08Å; M358-D361 WeakPolarHBondContact O-CB 3.49Å; M358-D361 PolarHBondContact O-N 2.87Å; D361-I363 PolarHBondContact O-N 3.27Å; D361-I363 VanDerWaalsContact OD1-CG1 3.23Å; D361-I363 WeakPolarHBondContact OD1-CG1 3.45Å; D361-I363 PolarHBondContact OD1-N 3.25Å; D361-S364 WeakPolarHBondContact O-CB 3.24Å; D361-S364 PolarHBondContact O-N 2.91Å; D361-V366 HydrophobicContact CB-CG2 4.06Å |
| 362 | P | 98.3 | Very high | 98 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 34% | 0.338 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.2 | -176.6 | -26.4 | 37.4 | 0 | 0 | 0 | 114.4 | L52 V166 G167 F169 | L52-P362 HydrophobicContact CD1-CG 3.75Å; V166-P362 HydrophobicContact CG2-CG 4.2Å; G167-P362 WeakPolarHBondContact O-CG 3.42Å; F169-P362 WeakPolarHBondContact CE2-O 3.07Å |
| 363 | I | 98.4 | Very high | 98 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 18 | 178.7 | 74 | 171.6 | 0 | 0 | 0 | 113.1 | R129 V148 F169 E218 D361 P365 V366 | R129-I363 PolarHBondContact NH2-O 3.05Å; V148-I363 HydrophobicContact CG2-CD1 4.18Å; F169-I363 HydrophobicContact CD2-CG2 4.35Å; F169-I363 HydrophobicContact CE2-CG2 3.88Å; F169-I363 HydrophobicContact CZ-CG2 4.16Å; E218-I363 HydrophobicContact CG-CB 4.23Å; E218-I363 HydrophobicContact CG-CG2 3.67Å; D361-I363 PolarHBondContact O-N 3.27Å; D361-I363 VanDerWaalsContact OD1-CG1 3.23Å; D361-I363 WeakPolarHBondContact OD1-CG1 3.45Å; D361-I363 PolarHBondContact OD1-N 3.25Å; I363-P365 CarbonylContact O-C 3.6Å; I363-P365 VanDerWaalsContact O-C 3.3Å; I363-P365 VanDerWaalsContact O-O 3.08Å; I363-V366 HydrophobicContact CG1-CG2 4.25Å |
| 364 | S | 97.5 | Very high | 98 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 41% | 0.406 | 22% | 0.215 | S | C | . | . | trans | -56.9 | 133.8 | 172.8 | -175.2 | 0 | 0 | 0 | 0 | 111 | S359 D361 | S359-S364 PolarHBondContact O-OG 2.97Å; D361-S364 WeakPolarHBondContact O-CB 3.24Å; D361-S364 PolarHBondContact O-N 2.91Å | ||
| 365 | P | 97.9 | Very high | 97.9 | Very high | 94 Ų | 94 | 36.8 Ų | 36.8 | 61% | 0.61 | 22% | 0.215 | S | C | * | . | cis | -73.8 | 132.3 | 1.1 | 30 | -34.8 | 0 | 0 | 0 | 113.4 | R129 I363 | R129-P365 PolarHBondContact NE-O 3.38Å; R129-P365 PolarHBondContact NH2-O 2.74Å; I363-P365 CarbonylContact O-C 3.6Å; I363-P365 VanDerWaalsContact O-C 3.3Å; I363-P365 VanDerWaalsContact O-O 3.08Å | ||
| 366 | V | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | trans | -81.2 | -43.2 | -179.3 | -180 | 0 | 0 | 0 | 0 | 112.1 | R129 N145 V148 A149 M358 D361 I363 | R129-V366 WeakPolarHBondContact CD-O 3.18Å; R129-V366 PolarHBondContact NE-O 2.87Å; N145-V366 HydrophobicContact CB-CG1 4.1Å; N145-V366 WeakPolarHBondContact CB-O 3.5Å; N145-V366 PolarHBondContact ND2-O 2.92Å; N145-V366 VanDerWaalsContact O-CG1 3.32Å; N145-V366 WeakPolarHBondContact O-CG1 3.32Å; V148-V366 HydrophobicContact CB-CG1 3.89Å; V148-V366 HydrophobicContact CG1-CG1 3.83Å; V148-V366 HydrophobicContact CG1-CG2 3.94Å; A149-V366 HydrophobicContact CB-CG1 4.16Å; M358-V366 HydrophobicContact CB-CB 4.15Å; M358-V366 HydrophobicContact CB-CG2 3.9Å; M358-V366 HydrophobicContact CE-CB 4.25Å; M358-V366 HydrophobicContact CG-CB 4.34Å; M358-V366 HydrophobicContact CG-CG2 4.38Å; M358-V366 HydrophobicContact SD-CB 3.7Å; M358-V366 HydrophobicContact SD-CG1 3.73Å; M358-V366 HydrophobicContact SD-CG2 4.36Å; D361-V366 HydrophobicContact CB-CG2 4.06Å; I363-V366 HydrophobicContact CG1-CG2 4.25Å | ||
| 367 | L | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -119.5 | 151.8 | 176.3 | -66.2 | -177.5 | 0 | 0 | 0 | 110.5 | A149 F314 L354 M358 H371 L372 | A149-L367 HydrophobicContact CB-CD1 3.74Å; A149-L367 HydrophobicContact CB-CD2 3.92Å; A149-L367 HydrophobicContact CB-CG 3.8Å; F314-L367 HydrophobicContact CB-CD2 4.12Å; F314-L367 HydrophobicContact CD1-CD1 3.92Å; F314-L367 HydrophobicContact CD1-CD2 3.97Å; F314-L367 HydrophobicContact CD2-CD2 4.22Å; F314-L367 HydrophobicContact CE1-CD1 3.62Å; F314-L367 HydrophobicContact CE1-CD2 4.43Å; F314-L367 HydrophobicContact CG-CD2 3.85Å; F314-L367 HydrophobicContact CZ-CD1 3.95Å; L354-L367 HydrophobicContact CD2-CD1 3.99Å; M358-L367 HydrophobicContact CE-CB 4.09Å; M358-L367 HydrophobicContact CE-CD1 4.06Å; M358-L367 HydrophobicContact CE-CG 3.99Å; M358-L367 HydrophobicContact SD-CD1 4.36Å; M358-L367 HydrophobicContact SD-CG 4.22Å; L367-H371 HydrophobicContact CB-CB 4.37Å; L367-H371 HydrophobicContact CD1-CB 4.43Å; L367-L372 HydrophobicContact CB-CG 4.44Å; L367-L372 HydrophobicContact CD1-CD2 4.28Å |
| 368 | S | 97.9 | Very high | 98 | Very high | 27 Ų | 27 | 37.3 Ų | 37.3 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | trans | -76.3 | 155.8 | 168.2 | 65 | 0 | 0 | 0 | 0 | 110.8 | P370 H371 L372 | S368-P370 VanDerWaalsContact C-CD 3.47Å; S368-P370 VanDerWaalsContact C-N 3.34Å; S368-H371 PolarHBondContact O-N 3.19Å; S368-H371 VanDerWaalsContact O-N 3.16Å; S368-H371 PolarHBondContact OG-CD2 3.08Å; S368-H371 VanDerWaalsContact OG-CD2 3.32Å; S368-L372 PolarHBondContact O-N 3.28Å | ||
| 369 | D | 97.7 | Very high | 98 | Very high | 81 Ų | 81 | 37 Ų | 37 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.6 | -37.2 | 179.1 | -75 | -37 | 0 | 0 | 0 | 113.5 | K355 H371 L372 D373 | K355-D369 IonicContact NZ-OD1 3.4Å; K355-D369 PolarHBondContact NZ-OD1 2.88Å; K355-D369 IonicContact NZ-OD2 3.47Å; D369-H371 VanDerWaalsContact C-N 3.32Å; D369-H371 PolarHBondContact O-N 2.97Å; D369-L372 WeakPolarHBondContact O-CB 3.11Å; D369-L372 PolarHBondContact O-N 3.14Å; D369-D373 PolarHBondContact O-N 2.02Å |
| 370 | P | 98.5 | Very high | 98.1 | Very high | 70 Ų | 70 | 38.8 Ų | 38.8 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.7 | -37.7 | 174.2 | -28.7 | 36.6 | 0 | 0 | 0 | 114.5 | P317 S368 L372 D373 A374 | P317-P370 HydrophobicContact CB-CB 3.83Å; P317-P370 HydrophobicContact CG-CB 3.93Å; S368-P370 VanDerWaalsContact C-CD 3.47Å; S368-P370 VanDerWaalsContact C-N 3.34Å; P370-L372 VanDerWaalsContact C-N 3.33Å; P370-D373 PolarHBondContact O-N 3.38Å; P370-A374 WeakPolarHBondContact O-CB 3.35Å; P370-A374 PolarHBondContact O-N 3.28Å |
| 371 | H | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.1 | -34 | 175.5 | -80.6 | -62.8 | 0 | 0 | 0 | 112.4 | F314 P317 L367 S368 D369 L375 | F314-H371 VanDerWaalsContact C-CE1 3.42Å; F314-H371 HydrophobicContact CD1-CB 4.26Å; F314-H371 PolarHBondContact O-CE1 3.32Å; F314-H371 VanDerWaalsContact O-CE1 3.22Å; F314-H371 PolarHBondContact O-NE2 2.85Å; P317-H371 VanDerWaalsContact CD-CE1 3.47Å; P317-H371 WeakPolarHBondContact CD-CE1 3.22Å; L367-H371 HydrophobicContact CB-CB 4.37Å; L367-H371 HydrophobicContact CD1-CB 4.43Å; S368-H371 PolarHBondContact O-N 3.19Å; S368-H371 VanDerWaalsContact O-N 3.16Å; S368-H371 PolarHBondContact OG-CD2 3.08Å; S368-H371 VanDerWaalsContact OG-CD2 3.32Å; D369-H371 VanDerWaalsContact C-N 3.32Å; D369-H371 PolarHBondContact O-N 2.97Å; H371-L375 PolarHBondContact O-N 2.81Å |
| 372 | L | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -38.9 | 174.7 | -68.6 | 173.6 | 0 | 0 | 0 | 111.6 | K351 L354 K355 M358 L367 S368 D369 P370 L375 | K351-L372 HydrophobicContact CD-CB 3.96Å; K351-L372 HydrophobicContact CG-CB 3.91Å; L354-L372 HydrophobicContact CB-CD2 4.36Å; L354-L372 HydrophobicContact CD2-CD2 4.06Å; L354-L372 HydrophobicContact CG-CD2 4.29Å; K355-L372 HydrophobicContact CB-CD1 4.08Å; K355-L372 HydrophobicContact CD-CD1 3.98Å; K355-L372 HydrophobicContact CG-CD1 4.17Å; M358-L372 HydrophobicContact CE-CD2 4.21Å; L367-L372 HydrophobicContact CB-CG 4.44Å; L367-L372 HydrophobicContact CD1-CD2 4.28Å; S368-L372 PolarHBondContact O-N 3.28Å; D369-L372 WeakPolarHBondContact O-CB 3.11Å; D369-L372 PolarHBondContact O-N 3.14Å; P370-L372 VanDerWaalsContact C-N 3.33Å; L372-L375 PolarHBondContact O-N 2.96Å |
| 373 | D | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 34.8 Ų | 34.8 | 41% | 0.412 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 174.3 | -71.2 | -38 | 0 | 0 | 0 | 112.1 | K351 D369 P370 L375 D376 Q377 | K351-D373 IonicContact NZ-OD1 2.79Å; K351-D373 PolarHBondContact NZ-OD1 3.46Å; K351-D373 IonicContact NZ-OD2 3.89Å; D369-D373 PolarHBondContact O-N 2.02Å; P370-D373 PolarHBondContact O-N 3.38Å; D373-L375 VanDerWaalsContact C-N 3.28Å; D373-L375 PolarHBondContact O-N 2.85Å; D373-D376 PolarHBondContact O-N 3.22Å; D373-Q377 PolarHBondContact O-N 2.98Å |
| 374 | A | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -36.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P317 P370 D376 Q377 R378 | P317-A374 HydrophobicContact CB-CB 4.39Å; P317-A374 WeakPolarHBondContact O-CB 3.28Å; P370-A374 WeakPolarHBondContact O-CB 3.35Å; P370-A374 PolarHBondContact O-N 3.28Å; A374-D376 PolarHBondContact O-N 3.04Å; A374-Q377 PolarHBondContact O-N 3.43Å; A374-R378 WeakPolarHBondContact O-CB 3.38Å; A374-R378 WeakPolarHBondContact O-CD 3.31Å; A374-R378 WeakPolarHBondContact O-CG 3.38Å; A374-R378 PolarHBondContact O-N 3.11Å |
| 375 | L | 98.2 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 177 | -83.5 | 164.5 | 0 | 0 | 0 | 112.8 | L153 L284 F314 L350 L354 H371 L372 D373 Q377 R378 L379 | L153-L375 HydrophobicContact CD2-CD2 4.26Å; L284-L375 HydrophobicContact CB-CD2 3.72Å; L284-L375 HydrophobicContact CD2-CD2 4.24Å; L284-L375 WeakPolarHBondContact O-CD2 3.26Å; F314-L375 HydrophobicContact CE1-CD1 4.06Å; F314-L375 HydrophobicContact CE1-CD2 4.43Å; F314-L375 HydrophobicContact CE1-CG 4.32Å; L350-L375 HydrophobicContact CD2-CB 4.1Å; L350-L375 HydrophobicContact CD2-CD2 4.45Å; L350-L375 HydrophobicContact CG-CB 4.48Å; L354-L375 HydrophobicContact CD2-CD1 3.25Å; H371-L375 PolarHBondContact O-N 2.81Å; L372-L375 PolarHBondContact O-N 2.96Å; D373-L375 VanDerWaalsContact C-N 3.28Å; D373-L375 PolarHBondContact O-N 2.85Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-R378 PolarHBondContact O-N 3.18Å; L375-L379 WeakPolarHBondContact O-CB 3.3Å; L375-L379 PolarHBondContact O-N 3Å |
| 376 | D | 98.1 | Very high | 98.5 | Very high | 26 Ų | 26 | 31 Ų | 31 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -39 | 177.6 | -75.1 | -24.4 | 0 | 0 | 0 | 111.1 | G348 L350 K351 D373 A374 L379 L380 | G348-D376 WeakPolarHBondContact CA-OD2 3.48Å; L350-D376 WeakPolarHBondContact CB-OD1 3.47Å; K351-D376 WeakPolarHBondContact CB-OD2 3.26Å; K351-D376 PolarHBondContact N-OD1 3.5Å; D373-D376 PolarHBondContact O-N 3.22Å; A374-D376 PolarHBondContact O-N 3.04Å; D376-L379 PolarHBondContact O-N 2.84Å; D376-L380 WeakPolarHBondContact O-CG 3.39Å; D376-L380 PolarHBondContact O-N 3.36Å |
| 377 | Q | 98.2 | Very high | 98.5 | Very high | 114 Ų | 114 | 36.8 Ų | 36.8 | 53% | 0.533 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.3 | -63.9 | -54.9 | -46.1 | 0 | 0 | 111.9 | D373 A374 L375 L379 L380 S381 | D373-Q377 PolarHBondContact O-N 2.98Å; A374-Q377 PolarHBondContact O-N 3.43Å; L375-Q377 VanDerWaalsContact C-N 3.34Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 3.42Å; Q377-L380 WeakPolarHBondContact O-CB 3.25Å; Q377-L380 PolarHBondContact O-N 3Å; Q377-L380 VanDerWaalsContact O-N 3.12Å; Q377-S381 PolarHBondContact O-N 2.84Å; Q377-S381 VanDerWaalsContact O-N 3.12Å |
| 378 | R | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 177 | -69.8 | 162.5 | -174.4 | -178.2 | -0.9 | 111.9 | Y283 L284 N316 L319 D320 A374 L375 L380 S381 I382 | Y283-R378 HydrophobicContact CD1-CB 4.05Å; Y283-R378 HydrophobicContact CE1-CB 3.68Å; Y283-R378 HydrophobicContact CE1-CG 4.01Å; Y283-R378 WeakPolarHBondContact CE1-O 3.44Å; Y283-R378 WeakPolarHBondContact O-CD 3.38Å; L284-R378 HydrophobicContact CD2-CB 4.04Å; L284-R378 WeakPolarHBondContact O-CD 3.36Å; L284-R378 PolarHBondContact O-NH1 2.78Å; N316-R378 PolarHBondContact O-NH2 3.41Å; L319-R378 PolarHBondContact O-NH2 3.03Å; D320-R378 VanDerWaalsContact OD1-CG 3.25Å; D320-R378 WeakPolarHBondContact OD1-CG 3.44Å; D320-R378 IonicContact OD1-CZ 3.63Å; D320-R378 IonicContact OD1-NE 2.66Å; D320-R378 PolarHBondContact OD1-NE 2.96Å; D320-R378 IonicContact OD1-NH2 3.12Å; A374-R378 WeakPolarHBondContact O-CB 3.38Å; A374-R378 WeakPolarHBondContact O-CD 3.31Å; A374-R378 WeakPolarHBondContact O-CG 3.38Å; A374-R378 PolarHBondContact O-N 3.11Å; L375-R378 PolarHBondContact O-N 3.18Å; R378-L380 VanDerWaalsContact C-N 3.31Å; R378-L380 PolarHBondContact O-N 3.38Å; R378-S381 WeakPolarHBondContact O-CB 3.43Å; R378-S381 PolarHBondContact O-N 3.45Å; R378-I382 WeakPolarHBondContact O-CG1 3.46Å; R378-I382 PolarHBondContact O-N 3.13Å |
| 379 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 173.8 | 176.9 | 60.1 | 0 | 0 | 0 | 111.5 | L284 L342 L345 K346 L350 L375 D376 Q377 S381 I382 L383 | L284-L379 HydrophobicContact CD2-CB 4.15Å; L342-L379 HydrophobicContact CB-CD1 3.95Å; L342-L379 HydrophobicContact CD2-CD1 3.51Å; L342-L379 HydrophobicContact CG-CD1 4.29Å; L345-L379 HydrophobicContact CB-CD2 3.99Å; L345-L379 WeakPolarHBondContact O-CD2 3.5Å; K346-L379 HydrophobicContact CB-CD2 4.47Å; L350-L379 HydrophobicContact CB-CD2 4.12Å; L350-L379 HydrophobicContact CD2-CB 4.09Å; L350-L379 HydrophobicContact CD2-CD2 4.06Å; L375-L379 WeakPolarHBondContact O-CB 3.3Å; L375-L379 PolarHBondContact O-N 3Å; D376-L379 PolarHBondContact O-N 2.84Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; Q377-L379 PolarHBondContact O-N 3.42Å; L379-S381 VanDerWaalsContact C-N 3.33Å; L379-S381 PolarHBondContact O-N 2.93Å; L379-I382 PolarHBondContact O-N 2.81Å; L379-L383 HydrophobicContact CD1-CG 4.34Å; L379-L383 HydrophobicContact CG-CD1 4.33Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 2.8Å |
| 380 | L | 98.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 38 Ų | 38 | 44% | 0.44 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.8 | -40 | 176.4 | -63.7 | 177.2 | 0 | 0 | 0 | 112 | D376 Q377 R378 I382 L383 A384 | D376-L380 WeakPolarHBondContact O-CG 3.39Å; D376-L380 PolarHBondContact O-N 3.36Å; Q377-L380 WeakPolarHBondContact O-CB 3.25Å; Q377-L380 PolarHBondContact O-N 3Å; Q377-L380 VanDerWaalsContact O-N 3.12Å; R378-L380 VanDerWaalsContact C-N 3.31Å; R378-L380 PolarHBondContact O-N 3.38Å; L380-I382 VanDerWaalsContact C-N 3.33Å; L380-I382 PolarHBondContact O-N 3.23Å; L380-L383 PolarHBondContact O-N 3.4Å; L380-A384 WeakPolarHBondContact O-CB 3.3Å; L380-A384 PolarHBondContact O-N 3.23Å |
| 381 | S | 98.7 | Very high | 98.5 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 32% | 0.315 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -39 | 174.6 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | Y283 Q377 R378 L379 T385 | Y283-S381 VanDerWaalsContact OH-CB 3.27Å; Y283-S381 WeakPolarHBondContact OH-CB 3.23Å; Q377-S381 PolarHBondContact O-N 2.84Å; Q377-S381 VanDerWaalsContact O-N 3.12Å; R378-S381 WeakPolarHBondContact O-CB 3.43Å; R378-S381 PolarHBondContact O-N 3.45Å; L379-S381 VanDerWaalsContact C-N 3.33Å; L379-S381 PolarHBondContact O-N 2.93Å; S381-T385 WeakPolarHBondContact O-CB 2.72Å; S381-T385 PolarHBondContact O-N 3.36Å; S381-T385 PolarHBondContact O-OG1 3.08Å |
| 382 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -49.8 | 174.1 | -67.5 | 155.7 | 0 | 0 | 0 | 110.5 | I280 Y283 L284 L325 L328 L342 R378 L379 L380 A384 T385 V386 | I280-I382 HydrophobicContact CD1-CG2 4.47Å; I280-I382 HydrophobicContact CG1-CG2 4.23Å; I280-I382 HydrophobicContact CG2-CD1 3.9Å; I280-I382 HydrophobicContact CG2-CG2 4.38Å; Y283-I382 HydrophobicContact CD1-CD1 3.78Å; Y283-I382 HydrophobicContact CD1-CG1 3.66Å; Y283-I382 HydrophobicContact CE1-CD1 4.41Å; Y283-I382 HydrophobicContact CE1-CG1 4.04Å; L284-I382 HydrophobicContact CD1-CD1 4.27Å; L284-I382 HydrophobicContact CD2-CD1 3.66Å; L284-I382 HydrophobicContact CG-CD1 3.65Å; L325-I382 HydrophobicContact CD1-CG1 3.99Å; L325-I382 HydrophobicContact CD2-CG1 4.05Å; L328-I382 HydrophobicContact CD2-CG2 4.17Å; L342-I382 HydrophobicContact CD1-CG2 3.79Å; R378-I382 WeakPolarHBondContact O-CG1 3.46Å; R378-I382 PolarHBondContact O-N 3.13Å; L379-I382 PolarHBondContact O-N 2.81Å; L380-I382 VanDerWaalsContact C-N 3.33Å; L380-I382 PolarHBondContact O-N 3.23Å; I382-A384 VanDerWaalsContact C-N 3.31Å; I382-A384 PolarHBondContact O-N 3.34Å; I382-T385 WeakPolarHBondContact O-CB 3.25Å; I382-T385 PolarHBondContact O-N 3.46Å; I382-T385 VanDerWaalsContact O-N 3.09Å; I382-V386 WeakPolarHBondContact O-CG2 3.48Å; I382-V386 PolarHBondContact O-N 2.86Å |
| 383 | L | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | -179.4 | -66.3 | 175.6 | 0 | 0 | 0 | 111.8 | W339 L342 K346 L379 L380 V386 K387 | W339-L383 HydrophobicContact CE3-CD2 4.07Å; W339-L383 HydrophobicContact CH2-CD2 3.99Å; W339-L383 HydrophobicContact CZ3-CD2 3.44Å; W339-L383 VanDerWaalsContact CZ3-CD2 3.44Å; L342-L383 HydrophobicContact CB-CD2 3.94Å; K346-L383 HydrophobicContact CB-CD1 4.18Å; L379-L383 HydrophobicContact CD1-CG 4.34Å; L379-L383 HydrophobicContact CG-CD1 4.33Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 2.8Å; L380-L383 PolarHBondContact O-N 3.4Å; L383-V386 PolarHBondContact O-N 2.96Å; L383-K387 WeakPolarHBondContact O-CB 2.8Å; L383-K387 PolarHBondContact O-N 3.34Å |
| 384 | A | 98.7 | Very high | 98.4 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 49% | 0.488 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L380 I382 K387 Q388 | L380-A384 WeakPolarHBondContact O-CB 3.3Å; L380-A384 PolarHBondContact O-N 3.23Å; I382-A384 VanDerWaalsContact C-N 3.31Å; I382-A384 PolarHBondContact O-N 3.34Å; A384-K387 PolarHBondContact O-N 3.33Å; A384-Q388 PolarHBondContact O-N 3.18Å |
| 385 | T | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | L328 S381 I382 K387 Q388 C389 | L328-T385 HydrophobicContact CD2-CG2 3.91Å; L328-T385 HydrophobicContact CG-CG2 4.02Å; S381-T385 WeakPolarHBondContact O-CB 2.72Å; S381-T385 PolarHBondContact O-N 3.36Å; S381-T385 PolarHBondContact O-OG1 3.08Å; I382-T385 WeakPolarHBondContact O-CB 3.25Å; I382-T385 PolarHBondContact O-N 3.46Å; I382-T385 VanDerWaalsContact O-N 3.09Å; T385-K387 VanDerWaalsContact C-N 3.33Å; T385-K387 PolarHBondContact O-N 3.46Å; T385-Q388 PolarHBondContact O-N 3.05Å; T385-C389 PolarHBondContact O-N 3.39Å; T385-C389 VanDerWaalsContact O-N 3.09Å |
| 386 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 177 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | L328 I334 W339 I382 L383 Q388 C389 T390 V398 | L328-V386 HydrophobicContact CD1-CG2 4.18Å; L328-V386 HydrophobicContact CD2-CG2 4.04Å; I334-V386 HydrophobicContact CD1-CG2 3.83Å; I334-V386 HydrophobicContact CG2-CG1 4.01Å; W339-V386 HydrophobicContact CD2-CG1 4.17Å; W339-V386 HydrophobicContact CE3-CB 3.93Å; W339-V386 HydrophobicContact CE3-CG1 3.55Å; W339-V386 HydrophobicContact CE3-CG2 4.09Å; W339-V386 HydrophobicContact CH2-CB 4.27Å; W339-V386 HydrophobicContact CH2-CG1 4.08Å; W339-V386 HydrophobicContact CZ3-CB 3.52Å; W339-V386 HydrophobicContact CZ3-CG1 3.5Å; W339-V386 VanDerWaalsContact CZ3-CG1 3.5Å; W339-V386 HydrophobicContact CZ3-CG2 4.02Å; I382-V386 WeakPolarHBondContact O-CG2 3.48Å; I382-V386 PolarHBondContact O-N 2.86Å; L383-V386 PolarHBondContact O-N 2.96Å; V386-Q388 VanDerWaalsContact C-N 3.32Å; V386-Q388 PolarHBondContact O-N 2.87Å; V386-C389 WeakPolarHBondContact O-CB 3.5Å; V386-C389 PolarHBondContact O-N 2.87Å; V386-C389 VanDerWaalsContact O-N 3.12Å; V386-T390 HydrophobicContact CG1-CG2 4.33Å; V386-T390 PolarHBondContact O-N 3.24Å; V386-T390 PolarHBondContact O-OG1 3.08Å; V386-V398 HydrophobicContact CG1-CG1 4.31Å |
| 387 | K | 98.4 | Very high | 97.8 | Very high | 124 Ų | 124 | 61.7 Ų | 61.7 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 177.2 | -176.7 | 174.9 | 179.4 | 176.5 | 0 | 112 | L383 A384 T385 C389 T390 D391 | L383-K387 WeakPolarHBondContact O-CB 2.8Å; L383-K387 PolarHBondContact O-N 3.34Å; A384-K387 PolarHBondContact O-N 3.33Å; T385-K387 VanDerWaalsContact C-N 3.33Å; T385-K387 PolarHBondContact O-N 3.46Å; K387-C389 VanDerWaalsContact C-N 3.32Å; K387-C389 PolarHBondContact O-N 2.88Å; K387-T390 WeakPolarHBondContact CA-OG1 3.47Å; K387-T390 PolarHBondContact O-N 3.23Å; K387-T390 PolarHBondContact O-OG1 2.97Å; K387-D391 WeakPolarHBondContact O-CB 3.4Å; K387-D391 PolarHBondContact O-N 3.4Å |
| 388 | Q | 98.6 | Very high | 97.7 | Very high | 113 Ų | 113 | 56.3 Ų | 56.3 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 174.8 | -177.4 | -179.6 | -0.6 | 0 | 0 | 111.3 | A384 T385 V386 D391 Q392 | A384-Q388 PolarHBondContact O-N 3.18Å; T385-Q388 PolarHBondContact O-N 3.05Å; V386-Q388 VanDerWaalsContact C-N 3.32Å; V386-Q388 PolarHBondContact O-N 2.87Å; Q388-D391 PolarHBondContact O-N 3.32Å; Q388-Q392 WeakPolarHBondContact O-CB 3.18Å; Q388-Q392 PolarHBondContact O-N 3.36Å; Q388-Q392 VanDerWaalsContact O-N 3.08Å |
| 389 | C | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 174.5 | -72 | 0 | 0 | 0 | 0 | 111.8 | C332 T385 V386 K387 D391 Q392 F393 V398 | C332-C389 WeakPolarHBondContact CA-SG 3.41Å; C332-C389 HydrophobicContact CB-CB 3.56Å; C332-C389 WeakPolarHBondContact CB-SG 3.48Å; C332-C389 WeakPolarHBondContact SG-CB 3.34Å; C332-C389 CovalentContact SG-SG 2.05Å; C332-C389 PolarHBondContact SG-SG 3.32Å; T385-C389 PolarHBondContact O-N 3.39Å; T385-C389 VanDerWaalsContact O-N 3.09Å; V386-C389 WeakPolarHBondContact O-CB 3.5Å; V386-C389 PolarHBondContact O-N 2.87Å; V386-C389 VanDerWaalsContact O-N 3.12Å; K387-C389 VanDerWaalsContact C-N 3.32Å; K387-C389 PolarHBondContact O-N 2.88Å; C389-D391 PolarHBondContact O-N 3.17Å; C389-Q392 PolarHBondContact O-N 3.07Å; C389-F393 WeakPolarHBondContact O-CD2 3.49Å; C389-F393 PolarHBondContact O-N 3.3Å; C389-V398 HydrophobicContact CB-CG1 3.98Å; C389-V398 HydrophobicContact CB-CG2 3.96Å; C389-V398 WeakPolarHBondContact O-CG2 3.4Å |
| 390 | T | 98.3 | Very high | 97.4 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 179.7 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | V386 K387 Q392 G394 V398 | V386-T390 HydrophobicContact CG1-CG2 4.33Å; V386-T390 PolarHBondContact O-N 3.24Å; V386-T390 PolarHBondContact O-OG1 3.08Å; K387-T390 WeakPolarHBondContact CA-OG1 3.47Å; K387-T390 PolarHBondContact O-N 3.23Å; K387-T390 PolarHBondContact O-OG1 2.97Å; T390-Q392 VanDerWaalsContact C-N 3.28Å; T390-Q392 PolarHBondContact O-N 3.01Å; T390-G394 WeakPolarHBondContact O-CA 3.47Å; T390-G394 PolarHBondContact O-N 2.83Å; T390-V398 HydrophobicContact CG2-CB 3.93Å; T390-V398 HydrophobicContact CG2-CG1 3.84Å; T390-V398 HydrophobicContact CG2-CG2 4.28Å |
| 391 | D | 98.3 | Very high | 96.9 | Very high | 121 Ų | 121 | 61.6 Ų | 61.6 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.1 | -32.6 | 177.3 | -69 | -14.4 | 0 | 0 | 0 | 111 | K387 Q388 C389 | K387-D391 WeakPolarHBondContact O-CB 3.4Å; K387-D391 PolarHBondContact O-N 3.4Å; Q388-D391 PolarHBondContact O-N 3.32Å; C389-D391 PolarHBondContact O-N 3.17Å |
| 392 | Q | 97.8 | Very high | 95.8 | Very high | 126 Ų | 126 | 62.1 Ų | 62.1 | 59% | 0.589 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -84 | -42.9 | -179.2 | -176.7 | 173.6 | -6.6 | 0 | 0 | 113.8 | Q388 C389 T390 | Q388-Q392 WeakPolarHBondContact O-CB 3.18Å; Q388-Q392 PolarHBondContact O-N 3.36Å; Q388-Q392 VanDerWaalsContact O-N 3.08Å; C389-Q392 PolarHBondContact O-N 3.07Å; T390-Q392 VanDerWaalsContact C-N 3.28Å; T390-Q392 PolarHBondContact O-N 3.01Å |
| 393 | F | 97.6 | Very high | 94 | Very high | 97 Ų | 97 | 67.7 Ų | 67.7 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -113.8 | -7.7 | -169.6 | -60.5 | -72.2 | 0 | 0 | 0 | 114.2 | C332 C389 V397 V398 | C332-F393 HydrophobicContact CB-CD2 3.76Å; C332-F393 HydrophobicContact CB-CE2 3.86Å; C332-F393 VanDerWaalsContact SG-CE2 3.58Å; C389-F393 WeakPolarHBondContact O-CD2 3.49Å; C389-F393 PolarHBondContact O-N 3.3Å; F393-V397 HydrophobicContact CB-CB 4.4Å; F393-V397 HydrophobicContact CB-CG1 4.28Å; F393-V397 WeakPolarHBondContact O-CG2 3.34Å; F393-V398 HydrophobicContact CB-CG2 4.05Å |
| 394 | G | 97.1 | Very high | 91.7 | Very high | 25 Ų | 25 | 71.6 Ų | 71.6 | 26% | 0.258 | 37% | 0.374 | S | S | . | . | trans | 84.5 | 149.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | T390 D396 V397 V398 | T390-G394 WeakPolarHBondContact O-CA 3.47Å; T390-G394 PolarHBondContact O-N 2.83Å; G394-D396 VanDerWaalsContact C-N 3.33Å; G394-D396 PolarHBondContact O-N 3.21Å; G394-V397 PolarHBondContact O-N 3.15Å; G394-V398 WeakPolarHBondContact O-CG2 3.41Å; G394-V398 PolarHBondContact O-N 2.84Å | ||
| 395 | P | 94.6 | Very high | 88.8 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | -176.7 | 25.4 | -34.3 | 0 | 0 | 0 | 113.2 | V397 V398 L399 | P395-V397 PolarHBondContact O-N 2.67Å; P395-V398 PolarHBondContact O-N 3.23Å; P395-L399 HydrophobicContact CB-CD1 4.24Å; P395-L399 WeakPolarHBondContact O-CB 3.4Å; P395-L399 PolarHBondContact O-N 3.01Å |
| 396 | D | 92.5 | Very high | 86 | Confident | 157 Ų | 157 | 78 Ų | 78 | 84% | 0.84 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.3 | -23.8 | -177.8 | -60.6 | -22.5 | 0 | 0 | 0 | 113.4 | G394 | G394-D396 VanDerWaalsContact C-N 3.33Å; G394-D396 PolarHBondContact O-N 3.21Å |
| 397 | V | 94.8 | Very high | 82.8 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 53% | 0.527 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -87.1 | -39.4 | 176.7 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | F393 G394 P395 | F393-V397 HydrophobicContact CB-CB 4.4Å; F393-V397 HydrophobicContact CB-CG1 4.28Å; F393-V397 WeakPolarHBondContact O-CG2 3.34Å; G394-V397 PolarHBondContact O-N 3.15Å; P395-V397 PolarHBondContact O-N 2.67Å |
| 398 | V | 97.5 | Very high | 79.8 | Confident | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.006 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -83.4 | -39.2 | -171.7 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | C332 I333 I334 V386 C389 T390 F393 G394 P395 V400 | C332-V398 WeakPolarHBondContact O-CA 3.4Å; C332-V398 WeakPolarHBondContact O-CG2 3.3Å; I333-V398 CarbonylContact C-O 3.58Å; I333-V398 VanDerWaalsContact CA-O 3.26Å; I333-V398 WeakPolarHBondContact CA-O 3.38Å; I334-V398 HydrophobicContact CG2-CG1 4.26Å; I334-V398 PolarHBondContact N-O 2.84Å; V386-V398 HydrophobicContact CG1-CG1 4.31Å; C389-V398 HydrophobicContact CB-CG1 3.98Å; C389-V398 HydrophobicContact CB-CG2 3.96Å; C389-V398 WeakPolarHBondContact O-CG2 3.4Å; T390-V398 HydrophobicContact CG2-CB 3.93Å; T390-V398 HydrophobicContact CG2-CG1 3.84Å; T390-V398 HydrophobicContact CG2-CG2 4.28Å; F393-V398 HydrophobicContact CB-CG2 4.05Å; G394-V398 WeakPolarHBondContact O-CG2 3.41Å; G394-V398 PolarHBondContact O-N 2.84Å; P395-V398 PolarHBondContact O-N 3.23Å; V398-V400 PolarHBondContact O-N 2.89Å |
| 399 | L | 95.8 | Very high | 76.6 | Confident | 46 Ų | 46 | 89.8 Ų | 89.8 | 24% | 0.241 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 104.7 | -177.6 | -58.8 | -178.6 | 0 | 0 | 0 | 109.4 | I334 V336 W339 P395 | I334-L399 HydrophobicContact CG2-CD2 3.71Å; V336-L399 HydrophobicContact CG2-CB 3.95Å; W339-L399 HydrophobicContact CB-CD2 4.1Å; W339-L399 HydrophobicContact CD2-CD2 4.35Å; W339-L399 HydrophobicContact CG-CD2 3.82Å; P395-L399 HydrophobicContact CB-CD1 4.24Å; P395-L399 WeakPolarHBondContact O-CB 3.4Å; P395-L399 PolarHBondContact O-N 3.01Å |
| 400 | V | 94.3 | Very high | 75.6 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 28% | 0.279 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.5 | -177.7 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | L273 I333 I334 R335 V336 V398 D402 | L273-V400 HydrophobicContact CD1-CB 4.19Å; L273-V400 HydrophobicContact CD1-CG1 3.84Å; L273-V400 HydrophobicContact CD2-CB 4.21Å; L273-V400 HydrophobicContact CD2-CG2 4.35Å; I333-V400 HydrophobicContact CB-CG2 3.92Å; I333-V400 HydrophobicContact CG2-CG2 4.17Å; I334-V400 PolarHBondContact O-N 2.92Å; R335-V400 WeakPolarHBondContact CA-O 3.39Å; V336-V400 PolarHBondContact N-O 2.94Å; V398-V400 PolarHBondContact O-N 2.89Å; V400-D402 PolarHBondContact O-N 3.02Å |
| 401 | E | 88.4 | Confident | 74.4 | Confident | 108 Ų | 108 | 97.6 Ų | 97.6 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | trans | -64.7 | 127 | 174.8 | -71.7 | -69.5 | 171.9 | 0 | 0 | 110.1 | V336 | V336-E401 HydrophobicContact CG2-CG 4.32Š| ||
| 402 | D | 74.7 | Confident | 73 | Confident | 55 Ų | 55 | 96.3 Ų | 96.3 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | trans | -92.2 | -10.3 | -172.2 | 65.1 | -28.4 | 0 | 0 | 0 | 113.4 | R335 S337 V400 M404 | R335-D402 HydrophobicContact CB-CB 4.19Å; R335-D402 HydrophobicContact CG-CB 3.92Å; S337-D402 WeakPolarHBondContact CB-OD2 3.17Å; S337-D402 PolarHBondContact OG-OD2 3.31Å; V400-D402 PolarHBondContact O-N 3.02Å; D402-M404 PolarHBondContact O-N 3.16Å | ||
| 403 | R | 62.5 | Low | 71.6 | Confident | 118 Ų | 118 | 94.6 Ų | 94.6 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | trans | -72.9 | 74.5 | 176.4 | -61 | -178.2 | -169.9 | -136.1 | -11.6 | 110 | A33 E36 T405 | A33-R403 VanDerWaalsContact CA-NH2 3.3Å; E36-R403 VanDerWaalsContact CD-NH2 3.29Å; E36-R403 IonicContact OE2-CZ 2.86Å; E36-R403 IonicContact OE2-NH1 3.75Å; E36-R403 PolarHBondContact OE2-NH1 3.22Å; E36-R403 IonicContact OE2-NH2 3.03Å; E36-R403 PolarHBondContact OE2-NH2 2.95Å; R403-T405 PolarHBondContact O-N 2.81Å | ||
| 404 | M | 49.1 | Very low | 69.9 | Low | 102 Ų | 102 | 94.4 Ų | 94.4 | 50% | 0.502 | 51% | 0.511 | S | S | . | . | trans | -55.6 | 109.6 | 153.8 | -66.8 | 179.7 | 72.5 | 0 | 0 | 106.4 | P270 D402 L406 | P270-M404 HydrophobicContact CB-SD 4.02Å; P270-M404 HydrophobicContact CG-SD 4.11Å; D402-M404 PolarHBondContact O-N 3.16Å; M404-L406 HydrophobicContact CB-CD2 4.42Å; M404-L406 HydrophobicContact CB-CG 4.27Å; M404-L406 HydrophobicContact CE-CD2 3.92Å; M404-L406 PolarHBondContact O-N 2.93Å | ||
| 405 | T | 39.3 | Very low | 68.1 | Low | 133 Ų | 133 | 99.1 Ų | 99.1 | 82% | 0.816 | 53% | 0.528 | S | S | * | . | trans | -61.4 | 88.7 | 150.3 | 41.7 | 0 | 0 | 0 | 0 | 105.3 | R403 S407 | R403-T405 PolarHBondContact O-N 2.81Å; T405-S407 PolarHBondContact O-N 3.41Å | ||
| 406 | L | 39.7 | Very low | 66.2 | Low | 76 Ų | 76 | 101.1 Ų | 101.1 | 40% | 0.398 | 53% | 0.534 | S | S | . | . | trans | -62 | 99.5 | 162.8 | -69.9 | 171 | 0 | 0 | 0 | 104 | M404 H408 L409 | M404-L406 HydrophobicContact CB-CD2 4.42Å; M404-L406 HydrophobicContact CB-CG 4.27Å; M404-L406 HydrophobicContact CE-CD2 3.92Å; M404-L406 PolarHBondContact O-N 2.93Å; L406-H408 PolarHBondContact O-N 2.88Å; L406-L409 HydrophobicContact CD1-CD1 4.03Å | ||
| 407 | S | 31.9 | Very low | 64.2 | Low | 97 Ų | 97 | 96.8 Ų | 96.8 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -67.9 | 4.5 | -172.1 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | T405 | T405-S407 PolarHBondContact O-N 3.41Š|
| 408 | H | 33.9 | Very low | 61.7 | Low | 170 Ų | 170 | 97.7 Ų | 97.7 | 79% | 0.787 | 51% | 0.509 | S | S | * | . | trans | -148.1 | 84.2 | 177 | -59.2 | -63.6 | 0 | 0 | 0 | 110.1 | L406 | L406-H408 PolarHBondContact O-N 2.88Š| ||
| 409 | L | 33 | Very low | 58.4 | Low | 220 Ų | 220 | 106.5 Ų | 106.5 | 100% | 1.152 | 55% | 0.554 | S | S | * | * | trans | -129.5 | 0 | 152.2 | -91.9 | 169.9 | 0 | 0 | 0 | 107.9 | L406 | L406-L409 HydrophobicContact CD1-CD1 4.03Š|
Retrieved 409 of 409 residues in 274.7 ms
(Link to these results)