| 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 | 43.7 | Very low | 51.4 | Low | 199 Ų | 199 | 121.8 Ų | 121.8 | 98% | 0.98 | 61% | 0.608 | S | S | * | * | 0 | -22 | 0 | -163.1 | 177.3 | -171.8 | 0 | 0 | 112.2 | D3 | M1-D3 PolarHBondContact N-OD2 3.46Š| |||
| 2 | I | 44.7 | Very low | 52.8 | Low | 124 Ų | 124 | 118.7 Ų | 118.7 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | trans | -79.3 | -40.1 | 170 | -70.3 | 167.8 | 0 | 0 | 0 | 109.9 | V4 K5 I6 | I2-V4 PolarHBondContact O-N 3.08Å; I2-K5 WeakPolarHBondContact O-CA 3.44Å; I2-K5 WeakPolarHBondContact O-CB 3.37Å; I2-K5 PolarHBondContact O-N 3.32Å; I2-I6 HydrophobicContact CG2-CD1 3.68Å; I2-I6 HydrophobicContact CG2-CG1 4.23Å; I2-I6 PolarHBondContact O-N 3.46Å | ||
| 3 | D | 46.5 | Very low | 54 | Low | 112 Ų | 112 | 122.6 Ų | 122.6 | 60% | 0.599 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -57.4 | -46.8 | -174.6 | -27.6 | -83.9 | 0 | 0 | 0 | 112.7 | M1 K5 I6 Y7 | M1-D3 PolarHBondContact N-OD2 3.46Å; D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 PolarHBondContact O-N 2.8Å; D3-I6 CarbonylContact O-C 3.59Å; D3-I6 PolarHBondContact O-N 3.43Å; D3-I6 VanDerWaalsContact O-N 3.13Å; D3-Y7 WeakPolarHBondContact O-CB 3.38Å; D3-Y7 PolarHBondContact O-N 3.47Å |
| 4 | V | 51.5 | Low | 54.5 | Low | 100 Ų | 100 | 123 Ų | 123 | 61% | 0.606 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.7 | -27.5 | 178 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | I2 N8 | I2-V4 PolarHBondContact O-N 3.08Å; V4-N8 PolarHBondContact O-N 3.47Å |
| 5 | K | 46.7 | Very low | 55.4 | Low | 151 Ų | 151 | 121.5 Ų | 121.5 | 66% | 0.657 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.3 | -40 | 171.3 | -71.6 | -173.3 | 173.1 | -175.7 | 0 | 111.3 | I2 D3 N8 L9 | I2-K5 WeakPolarHBondContact O-CA 3.44Å; I2-K5 WeakPolarHBondContact O-CB 3.37Å; I2-K5 PolarHBondContact O-N 3.32Å; D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 PolarHBondContact O-N 2.8Å; K5-N8 PolarHBondContact O-N 3.41Å; K5-L9 WeakPolarHBondContact O-CB 3.4Å; K5-L9 WeakPolarHBondContact O-CD1 3.44Å; K5-L9 PolarHBondContact O-N 2.89Å |
| 6 | I | 52.8 | Low | 56.3 | Low | 94 Ų | 94 | 119.4 Ų | 119.4 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -43 | 174.2 | -67.1 | 175.6 | 0 | 0 | 0 | 110.6 | I2 D3 N8 L9 L10 | I2-I6 HydrophobicContact CG2-CD1 3.68Å; I2-I6 HydrophobicContact CG2-CG1 4.23Å; I2-I6 PolarHBondContact O-N 3.46Å; D3-I6 CarbonylContact O-C 3.59Å; D3-I6 PolarHBondContact O-N 3.43Å; D3-I6 VanDerWaalsContact O-N 3.13Å; I6-N8 PolarHBondContact O-N 3.1Å; I6-L9 CarbonylContact O-C 3.57Å; I6-L9 PolarHBondContact O-N 3.24Å; I6-L10 HydrophobicContact CG2-CD1 3.97Å; I6-L10 WeakPolarHBondContact O-CB 3.47Å; I6-L10 PolarHBondContact O-N 2.77Å |
| 7 | Y | 51.9 | Low | 56.9 | Low | 165 Ų | 165 | 117.6 Ų | 117.6 | 65% | 0.647 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 179.6 | -153.8 | -96.8 | 0 | 0 | 0 | 112.5 | D3 L10 N11 | D3-Y7 WeakPolarHBondContact O-CB 3.38Å; D3-Y7 PolarHBondContact O-N 3.47Å; Y7-L10 PolarHBondContact O-N 3.31Å; Y7-N11 PolarHBondContact O-N 2.69Å |
| 8 | N | 56.1 | Low | 57.5 | Low | 99 Ų | 99 | 120.2 Ų | 120.2 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73 | -33.7 | 173.5 | -83.5 | -17.7 | 0 | 0 | 0 | 113.1 | V4 K5 I6 V12 | V4-N8 PolarHBondContact O-N 3.47Å; K5-N8 PolarHBondContact O-N 3.41Å; I6-N8 PolarHBondContact O-N 3.1Å; N8-V12 WeakPolarHBondContact O-CB 3.4Å; N8-V12 VanDerWaalsContact O-CG2 3.31Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 2.66Å |
| 9 | L | 56.4 | Low | 57.9 | Low | 126 Ų | 126 | 118.5 Ų | 118.5 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.1 | -37.3 | 169.4 | -95.5 | 87.6 | 0 | 0 | 0 | 111.6 | K5 I6 V12 Y13 | K5-L9 WeakPolarHBondContact O-CB 3.4Å; K5-L9 WeakPolarHBondContact O-CD1 3.44Å; K5-L9 PolarHBondContact O-N 2.89Å; I6-L9 CarbonylContact O-C 3.57Å; I6-L9 PolarHBondContact O-N 3.24Å; L9-V12 PolarHBondContact O-N 3.42Å; L9-Y13 WeakPolarHBondContact O-CB 3.31Å; L9-Y13 PolarHBondContact O-N 3.37Å |
| 10 | L | 57.4 | Low | 58.1 | Low | 107 Ų | 107 | 116.9 Ų | 116.9 | 56% | 0.56 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.5 | -48.3 | 173.8 | -107.6 | 71.2 | 0 | 0 | 0 | 110.9 | I6 Y7 V12 Y13 Q14 | I6-L10 HydrophobicContact CG2-CD1 3.97Å; I6-L10 WeakPolarHBondContact O-CB 3.47Å; I6-L10 PolarHBondContact O-N 2.77Å; Y7-L10 PolarHBondContact O-N 3.31Å; L10-V12 PolarHBondContact O-N 3.06Å; L10-Y13 PolarHBondContact O-N 3.17Å; L10-Q14 WeakPolarHBondContact O-CB 3.29Å; L10-Q14 PolarHBondContact O-N 2.74Å |
| 11 | N | 57.7 | Low | 58.1 | Low | 63 Ų | 63 | 113.7 Ų | 113.7 | 34% | 0.337 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -43.4 | 176 | -89.1 | -33.4 | 0 | 0 | 0 | 112.3 | Y7 Q14 I15 | Y7-N11 PolarHBondContact O-N 2.69Å; N11-Q14 PolarHBondContact O-N 2.88Å; N11-I15 VanDerWaalsContact O-CB 3.31Å; N11-I15 WeakPolarHBondContact O-CB 3.45Å; N11-I15 WeakPolarHBondContact O-CD1 3.11Å; N11-I15 WeakPolarHBondContact O-CG1 3.29Å; N11-I15 PolarHBondContact O-N 3.23Å |
| 12 | V | 68.4 | Low | 58.5 | Low | 84 Ų | 84 | 106.5 Ų | 106.5 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | N8 L9 L10 I15 I16 | N8-V12 WeakPolarHBondContact O-CB 3.4Å; N8-V12 VanDerWaalsContact O-CG2 3.31Å; N8-V12 WeakPolarHBondContact O-CG2 3.46Å; N8-V12 PolarHBondContact O-N 2.66Å; L9-V12 PolarHBondContact O-N 3.42Å; L10-V12 PolarHBondContact O-N 3.06Å; V12-I15 PolarHBondContact O-N 3.27Å; V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.39Å; V12-I16 VanDerWaalsContact O-CB 3.26Å; V12-I16 WeakPolarHBondContact O-CB 3.41Å; V12-I16 VanDerWaalsContact O-CG1 3.22Å; V12-I16 WeakPolarHBondContact O-CG1 3.32Å; V12-I16 PolarHBondContact O-N 2.89Å |
| 13 | Y | 68.8 | Low | 58.5 | Low | 170 Ų | 170 | 107.7 Ų | 107.7 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.4 | -33.6 | 176.4 | -160.9 | -91.4 | 0 | 0 | 0 | 111.8 | L9 L10 L17 | L9-Y13 WeakPolarHBondContact O-CB 3.31Å; L9-Y13 PolarHBondContact O-N 3.37Å; L10-Y13 PolarHBondContact O-N 3.17Å; Y13-L17 WeakPolarHBondContact O-CA 3.48Å; Y13-L17 WeakPolarHBondContact O-CB 3.27Å; Y13-L17 PolarHBondContact O-N 3.02Å |
| 14 | Q | 60.1 | Low | 58.5 | Low | 128 Ų | 128 | 107.3 Ų | 107.3 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75.5 | -35.2 | 176.1 | -168.4 | 175.1 | 22.1 | 0 | 0 | 111.6 | L10 N11 Y18 | L10-Q14 WeakPolarHBondContact O-CB 3.29Å; L10-Q14 PolarHBondContact O-N 2.74Å; N11-Q14 PolarHBondContact O-N 2.88Å; Q14-Y18 WeakPolarHBondContact O-CA 3.36Å; Q14-Y18 WeakPolarHBondContact O-CB 3.42Å; Q14-Y18 PolarHBondContact O-N 2.99Å |
| 15 | I | 68.7 | Low | 57.7 | Low | 101 Ų | 101 | 106.9 Ų | 106.9 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.6 | -40.9 | 171.5 | -70.6 | 164.8 | 0 | 0 | 0 | 110.7 | N11 V12 Y18 L19 | N11-I15 VanDerWaalsContact O-CB 3.31Å; N11-I15 WeakPolarHBondContact O-CB 3.45Å; N11-I15 WeakPolarHBondContact O-CD1 3.11Å; N11-I15 WeakPolarHBondContact O-CG1 3.29Å; N11-I15 PolarHBondContact O-N 3.23Å; V12-I15 PolarHBondContact O-N 3.27Å; I15-Y18 PolarHBondContact O-N 3.2Å; I15-L19 HydrophobicContact CG2-CD1 4.03Å; I15-L19 VanDerWaalsContact O-CB 3.3Å; I15-L19 WeakPolarHBondContact O-CB 3.45Å; I15-L19 WeakPolarHBondContact O-CG 3.21Å; I15-L19 PolarHBondContact O-N 2.97Å |
| 16 | I | 69 | Low | 57.1 | Low | 87 Ų | 87 | 107.6 Ų | 107.6 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 174.7 | -71.8 | 171.7 | 0 | 0 | 0 | 110.6 | V12 L19 I20 | V12-I16 HydrophobicContact CG1-CD1 3.68Å; V12-I16 HydrophobicContact CG1-CG1 4.39Å; V12-I16 VanDerWaalsContact O-CB 3.26Å; V12-I16 WeakPolarHBondContact O-CB 3.41Å; V12-I16 VanDerWaalsContact O-CG1 3.22Å; V12-I16 WeakPolarHBondContact O-CG1 3.32Å; V12-I16 PolarHBondContact O-N 2.89Å; I16-L19 PolarHBondContact O-N 3.47Å; I16-I20 HydrophobicContact CG2-CD1 3.63Å; I16-I20 HydrophobicContact CG2-CG1 4.31Å; I16-I20 VanDerWaalsContact O-CB 3.25Å; I16-I20 WeakPolarHBondContact O-CB 3.4Å; I16-I20 WeakPolarHBondContact O-CG1 3.46Å; I16-I20 PolarHBondContact O-N 2.79Å |
| 17 | L | 66.1 | Low | 56.3 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | 174.6 | -173.6 | 66.7 | 0 | 0 | 0 | 111.1 | Y13 I20 V21 | Y13-L17 WeakPolarHBondContact O-CA 3.48Å; Y13-L17 WeakPolarHBondContact O-CB 3.27Å; Y13-L17 PolarHBondContact O-N 3.02Å; L17-I20 PolarHBondContact O-N 3.35Å; L17-V21 HydrophobicContact CD1-CG2 4.23Å; L17-V21 HydrophobicContact CG-CG2 4.28Å; L17-V21 WeakPolarHBondContact O-CB 3.39Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.82Å |
| 18 | Y | 69.3 | Low | 55.4 | Low | 165 Ų | 165 | 105.2 Ų | 105.2 | 65% | 0.647 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -40.6 | 173.9 | -169.2 | -94.6 | 0 | 0 | 0 | 111.2 | Q14 I15 V22 | Q14-Y18 WeakPolarHBondContact O-CA 3.36Å; Q14-Y18 WeakPolarHBondContact O-CB 3.42Å; Q14-Y18 PolarHBondContact O-N 2.99Å; I15-Y18 PolarHBondContact O-N 3.2Å; Y18-V22 HydrophobicContact CD1-CG2 3.98Å; Y18-V22 HydrophobicContact CE1-CG2 3.8Å; Y18-V22 WeakPolarHBondContact O-CB 3.31Å; Y18-V22 WeakPolarHBondContact O-CG2 3.22Å; Y18-V22 PolarHBondContact O-N 3.12Å |
| 19 | L | 63.8 | Low | 54.5 | Low | 88 Ų | 88 | 104.7 Ų | 104.7 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 172.6 | -78.5 | 167.6 | 0 | 0 | 0 | 112.1 | I15 I16 V22 F23 | I15-L19 HydrophobicContact CG2-CD1 4.03Å; I15-L19 VanDerWaalsContact O-CB 3.3Å; I15-L19 WeakPolarHBondContact O-CB 3.45Å; I15-L19 WeakPolarHBondContact O-CG 3.21Å; I15-L19 PolarHBondContact O-N 2.97Å; I16-L19 PolarHBondContact O-N 3.47Å; L19-V22 PolarHBondContact O-N 2.9Å; L19-F23 VanDerWaalsContact O-CB 3.32Å; L19-F23 WeakPolarHBondContact O-CB 3.42Å; L19-F23 WeakPolarHBondContact O-CD2 3.32Å; L19-F23 PolarHBondContact O-N 3.44Å |
| 20 | I | 63.2 | Low | 54.2 | Low | 85 Ų | 85 | 103.7 Ų | 103.7 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 176.3 | -74.1 | 171.6 | 0 | 0 | 0 | 110.5 | I16 L17 F23 L24 | I16-I20 HydrophobicContact CG2-CD1 3.63Å; I16-I20 HydrophobicContact CG2-CG1 4.31Å; I16-I20 VanDerWaalsContact O-CB 3.25Å; I16-I20 WeakPolarHBondContact O-CB 3.4Å; I16-I20 WeakPolarHBondContact O-CG1 3.46Å; I16-I20 PolarHBondContact O-N 2.79Å; L17-I20 PolarHBondContact O-N 3.35Å; I20-F23 PolarHBondContact O-N 2.67Å; I20-L24 HydrophobicContact CG2-CD1 3.62Å; I20-L24 HydrophobicContact CG2-CG 4.25Å; I20-L24 WeakPolarHBondContact O-CB 3.3Å; I20-L24 WeakPolarHBondContact O-CG 3.26Å; I20-L24 PolarHBondContact O-N 3.38Å |
| 21 | V | 56.6 | Low | 54 | Low | 50 Ų | 50 | 100.8 Ų | 100.8 | 30% | 0.303 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 175 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | L17 K25 | L17-V21 HydrophobicContact CD1-CG2 4.23Å; L17-V21 HydrophobicContact CG-CG2 4.28Å; L17-V21 WeakPolarHBondContact O-CB 3.39Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.82Å; V21-K25 HydrophobicContact CG1-CD 3.89Å; V21-K25 HydrophobicContact CG1-CG 4.26Å; V21-K25 WeakPolarHBondContact O-CB 3.45Å; V21-K25 VanDerWaalsContact O-CG 3.23Å; V21-K25 WeakPolarHBondContact O-CG 3.35Å; V21-K25 PolarHBondContact O-N 3.29Å |
| 22 | V | 52.4 | Low | 54.1 | Low | 49 Ų | 49 | 101.3 Ų | 101.3 | 30% | 0.297 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.9 | -46.3 | 173.7 | 166.8 | 0 | 0 | 0 | 0 | 110.9 | Y18 L19 L24 K25 F26 | Y18-V22 HydrophobicContact CD1-CG2 3.98Å; Y18-V22 HydrophobicContact CE1-CG2 3.8Å; Y18-V22 WeakPolarHBondContact O-CB 3.31Å; Y18-V22 WeakPolarHBondContact O-CG2 3.22Å; Y18-V22 PolarHBondContact O-N 3.12Å; L19-V22 PolarHBondContact O-N 2.9Å; V22-L24 PolarHBondContact O-N 3.32Å; V22-K25 PolarHBondContact O-N 3.35Å; V22-F26 HydrophobicContact CG1-CD2 3.98Å; V22-F26 HydrophobicContact CG1-CE2 4.34Å; V22-F26 WeakPolarHBondContact O-CB 3.33Å; V22-F26 WeakPolarHBondContact O-CD2 3.43Å; V22-F26 PolarHBondContact O-N 2.64Å |
| 23 | F | 46.3 | Very low | 54.2 | Low | 148 Ų | 148 | 99.5 Ų | 99.5 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.5 | -37.8 | 176.7 | -93.5 | -95.7 | 0 | 0 | 0 | 112.4 | L19 I20 S27 | L19-F23 VanDerWaalsContact O-CB 3.32Å; L19-F23 WeakPolarHBondContact O-CB 3.42Å; L19-F23 WeakPolarHBondContact O-CD2 3.32Å; L19-F23 PolarHBondContact O-N 3.44Å; I20-F23 PolarHBondContact O-N 2.67Å; F23-S27 WeakPolarHBondContact O-CB 3.33Å; F23-S27 PolarHBondContact O-N 2.78Å; F23-S27 PolarHBondContact O-OG 3.22Å |
| 24 | L | 45.5 | Very low | 54.4 | Low | 105 Ų | 105 | 96.6 Ų | 96.6 | 55% | 0.55 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.9 | -40.9 | 174.9 | -71.5 | 171.4 | 0 | 0 | 0 | 112 | I20 V22 F26 S27 I28 | I20-L24 HydrophobicContact CG2-CD1 3.62Å; I20-L24 HydrophobicContact CG2-CG 4.25Å; I20-L24 WeakPolarHBondContact O-CB 3.3Å; I20-L24 WeakPolarHBondContact O-CG 3.26Å; I20-L24 PolarHBondContact O-N 3.38Å; V22-L24 PolarHBondContact O-N 3.32Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.14Å; L24-S27 PolarHBondContact O-N 2.57Å; L24-I28 PolarHBondContact O-N 3.08Å |
| 25 | K | 35.1 | Very low | 55.3 | Low | 91 Ų | 91 | 91.3 Ų | 91.3 | 40% | 0.396 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.7 | -30 | 173.7 | -73.8 | -174.5 | 174.2 | -167.5 | 0 | 112.7 | V21 V22 S27 D133 | V21-K25 HydrophobicContact CG1-CD 3.89Å; V21-K25 HydrophobicContact CG1-CG 4.26Å; V21-K25 WeakPolarHBondContact O-CB 3.45Å; V21-K25 VanDerWaalsContact O-CG 3.23Å; V21-K25 WeakPolarHBondContact O-CG 3.35Å; V21-K25 PolarHBondContact O-N 3.29Å; V22-K25 PolarHBondContact O-N 3.35Å; K25-S27 VanDerWaalsContact C-N 3.29Å; K25-D133 WeakPolarHBondContact CE-OD2 3.09Å; K25-D133 IonicContact NZ-OD1 3.29Å; K25-D133 PolarHBondContact NZ-OD1 3.48Å; K25-D133 IonicContact NZ-OD2 2.72Å; K25-D133 PolarHBondContact NZ-OD2 2.88Å |
| 26 | F | 34.6 | Very low | 55.7 | Low | 166 Ų | 166 | 90.6 Ų | 90.6 | 73% | 0.728 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -11.1 | 167.6 | -95.5 | -91.4 | 0 | 0 | 0 | 114 | V22 L24 | V22-F26 HydrophobicContact CG1-CD2 3.98Å; V22-F26 HydrophobicContact CG1-CE2 4.34Å; V22-F26 WeakPolarHBondContact O-CB 3.33Å; V22-F26 WeakPolarHBondContact O-CD2 3.43Å; V22-F26 PolarHBondContact O-N 2.64Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 3.14Å |
| 27 | S | 34.3 | Very low | 56.2 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 61% | 0.608 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -8.5 | -179.6 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | F23 L24 K25 | F23-S27 WeakPolarHBondContact O-CB 3.33Å; F23-S27 PolarHBondContact O-N 2.78Å; F23-S27 PolarHBondContact O-OG 3.22Å; L24-S27 PolarHBondContact O-N 2.57Å; K25-S27 VanDerWaalsContact C-N 3.29Å |
| 28 | I | 34.3 | Very low | 56.8 | Low | 122 Ų | 122 | 86.3 Ų | 86.3 | 63% | 0.626 | 43% | 0.433 | S | S | * | . | trans | -138.7 | 70 | 176.1 | -42.8 | 179.8 | 0 | 0 | 0 | 110.4 | L24 Q30 | L24-I28 PolarHBondContact O-N 3.08Å; I28-Q30 VanDerWaalsContact C-N 3.34Å; I28-Q30 HydrophobicContact CG2-CG 4.11Å; I28-Q30 PolarHBondContact O-N 3.32Å | ||
| 29 | S | 36.7 | Very low | 57.2 | Low | 87 Ų | 87 | 78.6 Ų | 78.6 | 61% | 0.608 | 40% | 0.403 | S | S | * | . | trans | -76.1 | 81.5 | 173.9 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | L31 | S29-L31 PolarHBondContact O-N 3.12Š| ||
| 30 | Q | 49.9 | Very low | 57.8 | Low | 106 Ų | 106 | 78.9 Ų | 78.9 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | trans | -65.4 | 127.1 | 168.7 | -63.1 | -178.3 | -30.9 | 0 | 0 | 109.6 | I28 Y163 | I28-Q30 VanDerWaalsContact C-N 3.34Å; I28-Q30 HydrophobicContact CG2-CG 4.11Å; I28-Q30 PolarHBondContact O-N 3.32Å; Q30-Y163 HydrophobicContact CB-CD2 4.32Å; Q30-Y163 HydrophobicContact CB-CE2 4.28Å; Q30-Y163 HydrophobicContact CG-CE2 4.36Å | ||
| 31 | L | 52.6 | Low | 58.6 | Low | 45 Ų | 45 | 76.9 Ų | 76.9 | 24% | 0.236 | 40% | 0.395 | C | S | . | . | trans | -75.9 | 130 | 176.1 | -108.8 | 80.8 | 0 | 0 | 0 | 110.8 | S29 M53 F162 Y163 | S29-L31 PolarHBondContact O-N 3.12Å; L31-M53 HydrophobicContact CD2-CE 4.46Å; L31-M53 HydrophobicContact CD2-CG 3.84Å; L31-M53 HydrophobicContact CD2-SD 3.77Å; L31-F162 HydrophobicContact CB-CD1 3.51Å; L31-F162 HydrophobicContact CB-CE1 3.63Å; L31-F162 HydrophobicContact CD2-CD1 4.47Å; L31-F162 HydrophobicContact CD2-CE1 4.07Å; L31-F162 HydrophobicContact CG-CE1 4.29Å; L31-Y163 PolarHBondContact O-N 2.91Å | ||
| 32 | L | 61.1 | Low | 59.8 | Low | 74 Ų | 74 | 78.9 Ų | 78.9 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 111.7 | 171.6 | -177.3 | 70.9 | 0 | 0 | 0 | 108.4 | S135 L146 Y163 Q165 | L32-S135 VanDerWaalsContact CD2-O 3.26Å; L32-S135 WeakPolarHBondContact CD2-O 3.26Å; L32-L146 HydrophobicContact CD1-CD1 3.77Å; L32-Y163 WeakPolarHBondContact CA-O 3.27Å; L32-Q165 HydrophobicContact CD1-CB 4.18Å |
| 33 | E | 70.9 | Confident | 61.3 | Low | 47 Ų | 47 | 81.1 Ų | 81.1 | 22% | 0.22 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 153.1 | 162.2 | -73.8 | -137.1 | -175.1 | 0 | 0 | 109.8 | F48 M53 R56 Y163 I164 Q165 | E33-F48 HydrophobicContact CB-CE2 4.13Å; E33-F48 HydrophobicContact CB-CZ 3.88Å; E33-F48 HydrophobicContact CG-CZ 4.12Å; E33-F48 VanDerWaalsContact OE2-CE2 3.31Å; E33-F48 WeakPolarHBondContact OE2-CE2 3.33Å; E33-F48 WeakPolarHBondContact OE2-CZ 3.43Å; E33-M53 HydrophobicContact CG-CG 4.29Å; E33-M53 HydrophobicContact CG-SD 4.4Å; E33-R56 IonicContact OE1-CZ 3.26Å; E33-R56 VanDerWaalsContact OE1-CZ 3.26Å; E33-R56 IonicContact OE1-NH1 2.88Å; E33-R56 PolarHBondContact OE1-NH1 3.43Å; E33-R56 IonicContact OE1-NH2 2.74Å; E33-R56 PolarHBondContact OE1-NH2 2.92Å; E33-Y163 PolarHBondContact N-O 3.27Å; E33-Y163 VanDerWaalsContact N-O 3.14Å; E33-I164 CarbonylContact O-C 3.51Å; E33-I164 WeakPolarHBondContact O-CA 3.34Å; E33-Q165 PolarHBondContact O-N 2.98Å |
| 34 | R | 72.7 | Confident | 63 | Low | 108 Ų | 108 | 79.9 Ų | 79.9 | 41% | 0.408 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.3 | 178.7 | 177.8 | -178.3 | -74.9 | 176.3 | -6.6 | 109.3 | V137 Q165 | R34-V137 PolarHBondContact NH2-O 2.91Å; R34-V137 VanDerWaalsContact NH2-O 3.15Å; R34-Q165 WeakPolarHBondContact CA-O 3.44Å; R34-Q165 HydrophobicContact CB-CB 4.44Å; R34-Q165 HydrophobicContact CG-CB 4.46Å |
| 35 | V | 78.8 | Confident | 64.9 | Low | 18 Ų | 18 | 77.3 Ų | 77.3 | 11% | 0.109 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.9 | 178.4 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | V37 I47 F48 I164 Q165 V166 A167 | V35-V37 HydrophobicContact CG1-CG2 4.01Å; V35-I47 HydrophobicContact CB-CG2 4.36Å; V35-I47 HydrophobicContact CG1-CG2 3.73Å; V35-I47 WeakPolarHBondContact CG1-O 3.47Å; V35-F48 HydrophobicContact CG2-CB 4.23Å; V35-F48 HydrophobicContact CG2-CD2 3.41Å; V35-F48 VanDerWaalsContact CG2-CD2 3.41Å; V35-F48 HydrophobicContact CG2-CE2 4.04Å; V35-F48 HydrophobicContact CG2-CG 4.08Å; V35-I164 HydrophobicContact CG2-CG2 3.85Å; V35-Q165 PolarHBondContact N-O 3.08Å; V35-V166 WeakPolarHBondContact O-CA 3.48Å; V35-A167 PolarHBondContact O-N 3.47Å |
| 36 | T | 77.2 | Confident | 67.3 | Low | 86 Ų | 86 | 76.5 Ų | 76.5 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.9 | 170.8 | 46.8 | 0 | 0 | 0 | 0 | 109.6 | A167 | T36-A167 WeakPolarHBondContact CA-O 3.03Å; T36-A167 HydrophobicContact CG2-CB 4.46Å |
| 37 | V | 78.6 | Confident | 69.5 | Low | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 118.5 | 179.2 | -172.1 | 0 | 0 | 0 | 0 | 107.7 | V35 I41 I47 L104 V166 A167 V168 Q169 | V35-V37 HydrophobicContact CG1-CG2 4.01Å; V37-I41 HydrophobicContact CG1-CD1 3.88Å; V37-I47 HydrophobicContact CG1-CD1 4.14Å; V37-I47 HydrophobicContact CG1-CG1 4.24Å; V37-I47 HydrophobicContact CG2-CB 4.39Å; V37-I47 HydrophobicContact CG2-CD1 4.15Å; V37-I47 HydrophobicContact CG2-CG1 3.99Å; V37-I47 HydrophobicContact CG2-CG2 3.61Å; V37-L104 HydrophobicContact CB-CD1 4Å; V37-L104 HydrophobicContact CG1-CD1 3.47Å; V37-L104 VanDerWaalsContact CG1-CD1 3.47Å; V37-V166 HydrophobicContact CB-CG1 4.25Å; V37-V166 HydrophobicContact CG2-CG1 3.65Å; V37-A167 PolarHBondContact N-O 3.32Å; V37-V168 CarbonylContact O-C 3.6Å; V37-V168 VanDerWaalsContact O-CA 3.26Å; V37-V168 WeakPolarHBondContact O-CA 3.25Å; V37-Q169 PolarHBondContact O-N 3.15Å |
| 38 | Q | 78.3 | Confident | 71.8 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 142.3 | 172.7 | -165.7 | 178.2 | 2.3 | 0 | 0 | 109.6 | I41 Q169 I171 | Q38-I41 HydrophobicContact CB-CD1 3.79Å; Q38-I41 HydrophobicContact CB-CG1 4.06Å; Q38-I41 WeakPolarHBondContact O-CB 3.44Å; Q38-I41 VanDerWaalsContact O-CD1 3.31Å; Q38-I41 WeakPolarHBondContact O-CD1 3.35Å; Q38-I41 WeakPolarHBondContact O-CG1 3.33Å; Q38-Q169 WeakPolarHBondContact CA-O 3.29Å; Q38-I171 HydrophobicContact CG-CD1 3.99Å; Q38-I171 HydrophobicContact CG-CG1 3.92Å |
| 39 | E | 77.5 | Confident | 74.2 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 171.7 | 171.9 | 72.7 | -171.4 | 159.3 | 0 | 0 | 112.1 | I41 L104 R106 V168 Q169 I171 | E39-I41 PolarHBondContact O-N 2.97Å; E39-L104 HydrophobicContact CB-CB 4.35Å; E39-R106 WeakPolarHBondContact OE2-CB 3.37Å; E39-R106 PolarHBondContact OE2-N 2.65Å; E39-V168 HydrophobicContact CB-CG1 3.82Å; E39-Q169 PolarHBondContact N-O 3.47Å; E39-I171 HydrophobicContact CG-CB 4.21Å; E39-I171 HydrophobicContact CG-CD1 3.95Å; E39-I171 HydrophobicContact CG-CG1 3.91Å; E39-I171 WeakPolarHBondContact O-CD1 3.25Å; E39-I171 PolarHBondContact OE1-N 3.48Å |
| 40 | N | 76.6 | Confident | 76.1 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 10.6 | -174.3 | -69.4 | -55.1 | 0 | 0 | 0 | 115.4 | L104 I171 D173 | N40-L104 PolarHBondContact N-O 3.5Å; N40-I171 HydrophobicContact CB-CD1 4.09Å; N40-D173 PolarHBondContact ND2-OD2 2.87Å |
| 41 | I | 79.8 | Confident | 77.5 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 142.2 | 175.8 | -88.2 | -179.2 | 0 | 0 | 0 | 111.4 | V37 Q38 E39 T45 L100 | V37-I41 HydrophobicContact CG1-CD1 3.88Å; Q38-I41 HydrophobicContact CB-CD1 3.79Å; Q38-I41 HydrophobicContact CB-CG1 4.06Å; Q38-I41 WeakPolarHBondContact O-CB 3.44Å; Q38-I41 VanDerWaalsContact O-CD1 3.31Å; Q38-I41 WeakPolarHBondContact O-CD1 3.35Å; Q38-I41 WeakPolarHBondContact O-CG1 3.33Å; E39-I41 PolarHBondContact O-N 2.97Å; I41-T45 HydrophobicContact CG2-CG2 3.86Å; I41-L100 HydrophobicContact CB-CD2 4.41Å; I41-L100 HydrophobicContact CG2-CD2 3.94Å; I41-L100 WeakPolarHBondContact O-CD2 3.06Å |
| 42 | P | 82.3 | Confident | 78.6 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 140.9 | 178.4 | -28 | 35.7 | 0 | 0 | 0 | 114.6 | T45 | P42-T45 VanDerWaalsContact O-CB 3.27Å; P42-T45 WeakPolarHBondContact O-CB 3.48Å; P42-T45 PolarHBondContact O-N 2.82Å; P42-T45 PolarHBondContact O-OG1 2.85Å |
| 43 | L | 83.6 | Confident | 78.9 | Confident | 96 Ų | 96 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 153.4 | 172.4 | -57.7 | 178.1 | 0 | 0 | 0 | 111.8 | T45 L100 | L43-T45 PolarHBondContact O-N 3.47Å; L43-L100 HydrophobicContact CD2-CD2 4.42Å; L43-L100 HydrophobicContact CD2-CG 4.46Å |
| 44 | N | 82.8 | Confident | 78.8 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 65% | 0.652 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 3.7 | -170.5 | -63.1 | -35.4 | 0 | 0 | 0 | 116.3 | V46 L100 | N44-V46 PolarHBondContact O-N 2.88Å; N44-L100 WeakPolarHBondContact CA-O 3.18Å; N44-L100 PolarHBondContact N-O 3.41Å |
| 45 | T | 84.9 | Confident | 78.6 | Confident | 50 Ų | 50 | 54 Ų | 54 | 31% | 0.307 | 29% | 0.294 | S | S | . | . | trans | -58.4 | 130.9 | 171.7 | -63.7 | 0 | 0 | 0 | 0 | 110.5 | I41 P42 L43 I47 K99 L100 | I41-T45 HydrophobicContact CG2-CG2 3.86Å; P42-T45 VanDerWaalsContact O-CB 3.27Å; P42-T45 WeakPolarHBondContact O-CB 3.48Å; P42-T45 PolarHBondContact O-N 2.82Å; P42-T45 PolarHBondContact O-OG1 2.85Å; L43-T45 PolarHBondContact O-N 3.47Å; T45-I47 PolarHBondContact O-N 2.86Å; T45-K99 CarbonylContact O-C 3.53Å; T45-K99 VanDerWaalsContact O-CA 3.3Å; T45-K99 WeakPolarHBondContact O-CA 3.34Å; T45-L100 PolarHBondContact O-N 3.48Å | ||
| 46 | V | 85 | Confident | 78 | Confident | 74 Ų | 74 | 60 Ų | 60 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121.9 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | N44 L97 K99 | N44-V46 PolarHBondContact O-N 2.88Å; V46-L97 HydrophobicContact CG1-CB 4.37Å; V46-L97 HydrophobicContact CG1-CD2 4.28Å; V46-L97 HydrophobicContact CG2-CD1 4.37Å; V46-K99 HydrophobicContact CG2-CG 4.01Å |
| 47 | I | 80.9 | Confident | 77.2 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 11% | 0.108 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -37.7 | -178.5 | -73.4 | 169.4 | 0 | 0 | 0 | 110.6 | V35 V37 T45 F91 I98 L100 | V35-I47 HydrophobicContact CB-CG2 4.36Å; V35-I47 HydrophobicContact CG1-CG2 3.73Å; V35-I47 WeakPolarHBondContact CG1-O 3.47Å; V37-I47 HydrophobicContact CG1-CD1 4.14Å; V37-I47 HydrophobicContact CG1-CG1 4.24Å; V37-I47 HydrophobicContact CG2-CB 4.39Å; V37-I47 HydrophobicContact CG2-CD1 4.15Å; V37-I47 HydrophobicContact CG2-CG1 3.99Å; V37-I47 HydrophobicContact CG2-CG2 3.61Å; T45-I47 PolarHBondContact O-N 2.86Å; I47-F91 HydrophobicContact CD1-CD1 3.6Å; I47-F91 HydrophobicContact CD1-CE1 3.53Å; I47-I98 HydrophobicContact CB-CG2 4.47Å; I47-I98 PolarHBondContact N-O 2.86Å; I47-L100 HydrophobicContact CD1-CB 3.89Å; I47-L100 HydrophobicContact CD1-CD1 3.84Å; I47-L100 HydrophobicContact CD1-CG 4.44Å |
| 48 | F | 83.2 | Confident | 76.3 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 150.4 | -178.4 | -164.5 | -107.3 | 0 | 0 | 0 | 112.1 | E33 V35 L50 L97 I98 I164 | E33-F48 HydrophobicContact CB-CE2 4.13Å; E33-F48 HydrophobicContact CB-CZ 3.88Å; E33-F48 HydrophobicContact CG-CZ 4.12Å; E33-F48 VanDerWaalsContact OE2-CE2 3.31Å; E33-F48 WeakPolarHBondContact OE2-CE2 3.33Å; E33-F48 WeakPolarHBondContact OE2-CZ 3.43Å; V35-F48 HydrophobicContact CG2-CB 4.23Å; V35-F48 HydrophobicContact CG2-CD2 3.41Å; V35-F48 VanDerWaalsContact CG2-CD2 3.41Å; V35-F48 HydrophobicContact CG2-CE2 4.04Å; V35-F48 HydrophobicContact CG2-CG 4.08Å; F48-L50 HydrophobicContact CD1-CD2 4.48Å; F48-L50 HydrophobicContact CD1-CG 4.12Å; F48-L50 HydrophobicContact CE1-CD2 4.15Å; F48-L50 HydrophobicContact CE1-CG 4.17Å; F48-L97 WeakPolarHBondContact O-CA 3.28Å; F48-I98 HydrophobicContact CB-CB 4.2Å; F48-I98 HydrophobicContact CB-CD1 4.14Å; F48-I98 HydrophobicContact CD1-CD1 4.15Å; F48-I98 PolarHBondContact N-O 2.84Å; F48-I98 PolarHBondContact O-N 2.79Å; F48-I164 HydrophobicContact CD1-CD1 3.54Å; F48-I164 HydrophobicContact CD1-CG1 4.41Å; F48-I164 HydrophobicContact CE1-CD1 3.73Å; F48-I164 HydrophobicContact CE1-CG1 4.31Å; F48-I164 HydrophobicContact CG-CD1 4.31Å |
| 49 | D | 84.8 | Confident | 75.3 | Confident | 59 Ų | 59 | 64 Ų | 64 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.2 | 169.3 | -177.4 | -0.2 | 0 | 0 | 0 | 109.2 | K51 L97 | D49-K51 WeakPolarHBondContact OD1-CB 3.09Å; D49-K51 PolarHBondContact OD1-N 2.99Å; D49-L97 HydrophobicContact CB-CD2 3.69Å |
| 50 | L | 77.5 | Confident | 74 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -75.1 | -20.9 | 179.7 | -75.7 | 146.8 | 0 | 0 | 0 | 113.2 | F48 M53 L54 L93 F96 I98 V149 I151 I164 | F48-L50 HydrophobicContact CD1-CD2 4.48Å; F48-L50 HydrophobicContact CD1-CG 4.12Å; F48-L50 HydrophobicContact CE1-CD2 4.15Å; F48-L50 HydrophobicContact CE1-CG 4.17Å; L50-M53 HydrophobicContact CD2-CE 4.33Å; L50-M53 PolarHBondContact O-N 3.01Å; L50-L54 HydrophobicContact CB-CD1 4.3Å; L50-L54 WeakPolarHBondContact O-CG 3.42Å; L50-L54 PolarHBondContact O-N 3.2Å; L50-L93 HydrophobicContact CD1-CD1 3.6Å; L50-F96 HydrophobicContact CB-CB 4.15Å; L50-F96 HydrophobicContact CB-CD1 4.24Å; L50-F96 PolarHBondContact N-O 3.06Å; L50-I98 HydrophobicContact CD1-CD1 4.07Å; L50-I98 HydrophobicContact CD1-CG1 4.48Å; L50-I98 HydrophobicContact CG-CD1 4.46Å; L50-V149 HydrophobicContact CD1-CG1 4.1Å; L50-I151 HydrophobicContact CD2-CD1 4.13Å; L50-I164 HydrophobicContact CD2-CD1 4.05Å |
| 51 | K | 77.6 | Confident | 72.8 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 30% | 0.296 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.8 | -51.4 | -174 | -75.7 | 152.2 | 172.1 | 151.9 | 0 | 113.1 | D49 M53 L54 E55 D95 F96 | D49-K51 WeakPolarHBondContact OD1-CB 3.09Å; D49-K51 PolarHBondContact OD1-N 2.99Å; K51-M53 PolarHBondContact O-N 2.81Å; K51-L54 PolarHBondContact O-N 2.82Å; K51-E55 WeakPolarHBondContact O-CG 3.43Å; K51-E55 PolarHBondContact O-N 3.4Å; K51-E55 VanDerWaalsContact O-N 3.1Å; K51-D95 PolarHBondContact NZ-O 3.47Å; K51-D95 IonicContact NZ-OD1 3.78Å; K51-D95 IonicContact NZ-OD2 2.69Å; K51-D95 PolarHBondContact NZ-OD2 3.15Å; K51-F96 HydrophobicContact CD-CB 4.03Å; K51-F96 HydrophobicContact CG-CB 3.86Å; K51-F96 HydrophobicContact CG-CD2 4.46Å; K51-F96 HydrophobicContact CG-CG 4.11Å |
| 52 | P | 75.7 | Confident | 70.9 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.1 | -17.9 | -178.8 | -18.9 | 33.3 | 0 | 0 | 0 | 114.2 | R56 | P52-R56 WeakPolarHBondContact O-CG 3.45Å; P52-R56 PolarHBondContact O-NE 2.85Å |
| 53 | M | 68.3 | Low | 68.8 | Low | 3 Ų | 3 | 78.1 Ų | 78.1 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -84.4 | -39.1 | 175 | -174.5 | -135 | 65.4 | 0 | 0 | 111.2 | L31 E33 L50 K51 R56 H57 F162 | L31-M53 HydrophobicContact CD2-CE 4.46Å; L31-M53 HydrophobicContact CD2-CG 3.84Å; L31-M53 HydrophobicContact CD2-SD 3.77Å; E33-M53 HydrophobicContact CG-CG 4.29Å; E33-M53 HydrophobicContact CG-SD 4.4Å; L50-M53 HydrophobicContact CD2-CE 4.33Å; L50-M53 PolarHBondContact O-N 3.01Å; K51-M53 PolarHBondContact O-N 2.81Å; M53-R56 PolarHBondContact O-N 2.93Å; M53-H57 PolarHBondContact O-N 2.92Å; M53-F162 HydrophobicContact CE-CD1 3.4Å; M53-F162 HydrophobicContact CE-CE1 3.28Å; M53-F162 HydrophobicContact CE-CG 4.3Å; M53-F162 HydrophobicContact CE-CZ 4.12Å; M53-F162 HydrophobicContact SD-CD1 3.76Å; M53-F162 HydrophobicContact SD-CE1 4.02Å |
| 54 | L | 68 | Low | 66.5 | Low | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.073 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 172.7 | -77.3 | 164.6 | 0 | 0 | 0 | 112 | L50 K51 R56 H57 M58 I78 F96 I151 | L50-L54 HydrophobicContact CB-CD1 4.3Å; L50-L54 WeakPolarHBondContact O-CG 3.42Å; L50-L54 PolarHBondContact O-N 3.2Å; K51-L54 PolarHBondContact O-N 2.82Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 2.83Å; L54-H57 PolarHBondContact O-N 3.3Å; L54-M58 WeakPolarHBondContact O-CG 3.22Å; L54-M58 PolarHBondContact O-N 2.82Å; L54-I78 HydrophobicContact CD1-CG2 4.45Å; L54-I78 HydrophobicContact CD2-CG2 4.48Å; L54-F96 HydrophobicContact CD1-CD1 3.66Å; L54-F96 HydrophobicContact CD1-CE1 3.65Å; L54-I151 HydrophobicContact CD1-CD1 4.41Å; L54-I151 HydrophobicContact CD2-CD1 3.77Å; L54-I151 HydrophobicContact CD2-CG2 3.85Å; L54-I151 HydrophobicContact CG-CD1 4.32Å |
| 55 | E | 68.9 | Low | 64 | Low | 122 Ų | 122 | 80.9 Ų | 80.9 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59 | -41.9 | 176.5 | -70 | 174.3 | 168.8 | 0 | 0 | 112.2 | K51 N59 | K51-E55 WeakPolarHBondContact O-CG 3.43Å; K51-E55 PolarHBondContact O-N 3.4Å; K51-E55 VanDerWaalsContact O-N 3.1Å; E55-N59 PolarHBondContact O-N 2.89Å; E55-N59 PolarHBondContact O-ND2 2.93Å |
| 56 | R | 66 | Low | 61.7 | Low | 144 Ų | 144 | 83.9 Ų | 83.9 | 54% | 0.543 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.1 | -79.9 | 179.2 | -74.8 | 146 | -0.6 | 111.8 | E33 P52 M53 L54 S60 | E33-R56 IonicContact OE1-CZ 3.26Å; E33-R56 VanDerWaalsContact OE1-CZ 3.26Å; E33-R56 IonicContact OE1-NH1 2.88Å; E33-R56 PolarHBondContact OE1-NH1 3.43Å; E33-R56 IonicContact OE1-NH2 2.74Å; E33-R56 PolarHBondContact OE1-NH2 2.92Å; P52-R56 WeakPolarHBondContact O-CG 3.45Å; P52-R56 PolarHBondContact O-NE 2.85Å; M53-R56 PolarHBondContact O-N 2.93Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 2.83Å; R56-S60 PolarHBondContact O-N 2.86Å |
| 57 | H | 60.9 | Low | 59.2 | Low | 59 Ų | 59 | 85.8 Ų | 85.8 | 27% | 0.273 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.4 | -40.4 | -175.1 | -158.1 | 36.4 | 0 | 0 | 0 | 112.7 | M53 L54 N59 S60 F162 | M53-H57 PolarHBondContact O-N 2.92Å; L54-H57 PolarHBondContact O-N 3.3Å; H57-N59 VanDerWaalsContact C-N 3.29Å; H57-N59 PolarHBondContact O-N 2.89Å; H57-S60 PolarHBondContact ND1-OG 2.93Å; H57-S60 WeakPolarHBondContact O-CB 3.37Å; H57-S60 PolarHBondContact O-N 2.84Å; H57-S60 VanDerWaalsContact O-N 3.08Å; H57-S60 PolarHBondContact O-OG 3.13Å; H57-F162 AromaticContact CD2-CZ 3.91Å |
| 58 | M | 59.7 | Low | 56.9 | Low | 80 Ų | 80 | 89.8 Ų | 89.8 | 39% | 0.394 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -36 | 177.7 | -67.9 | -172.1 | 83.6 | 0 | 0 | 113 | L54 S60 I78 | L54-M58 WeakPolarHBondContact O-CG 3.22Å; L54-M58 PolarHBondContact O-N 2.82Å; M58-S60 VanDerWaalsContact C-N 3.31Å; M58-S60 PolarHBondContact O-N 2.81Å; M58-I78 HydrophobicContact CE-CD1 4.23Å; M58-I78 HydrophobicContact SD-CD1 3.56Å; M58-I78 VanDerWaalsContact SD-CD1 3.56Å |
| 59 | N | 56.7 | Low | 54.3 | Low | 117 Ų | 117 | 98.1 Ų | 98.1 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.5 | -24.7 | 176.6 | -74.2 | -53.2 | 0 | 0 | 0 | 113.4 | E55 H57 H61 | E55-N59 PolarHBondContact O-N 2.89Å; E55-N59 PolarHBondContact O-ND2 2.93Å; H57-N59 VanDerWaalsContact C-N 3.29Å; H57-N59 PolarHBondContact O-N 2.89Å; N59-H61 PolarHBondContact O-N 2.93Å |
| 60 | S | 51.7 | Low | 51.9 | Low | 70 Ų | 70 | 100.9 Ų | 100.9 | 49% | 0.49 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.4 | -26.7 | -175.9 | 72.6 | 0 | 0 | 0 | 0 | 114.2 | R56 H57 M58 | R56-S60 PolarHBondContact O-N 2.86Å; H57-S60 PolarHBondContact ND1-OG 2.93Å; H57-S60 WeakPolarHBondContact O-CB 3.37Å; H57-S60 PolarHBondContact O-N 2.84Å; H57-S60 VanDerWaalsContact O-N 3.08Å; H57-S60 PolarHBondContact O-OG 3.13Å; M58-S60 VanDerWaalsContact C-N 3.31Å; M58-S60 PolarHBondContact O-N 2.81Å |
| 61 | H | 49.7 | Very low | 49.6 | Very low | 146 Ų | 146 | 106.6 Ų | 106.6 | 68% | 0.676 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -5.2 | -172.7 | -108 | -61.1 | 0 | 0 | 0 | 115.3 | N59 | N59-H61 PolarHBondContact O-N 2.93Š|
| 62 | L | 40.9 | Very low | 47.5 | Very low | 142 Ų | 142 | 110 Ų | 110 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -5.2 | -174.9 | -110.5 | 79.2 | 0 | 0 | 0 | 115.6 | S64 | L62-S64 PolarHBondContact O-N 3.4Š|
| 63 | H | 38.2 | Very low | 45.4 | Very low | 170 Ų | 170 | 112.3 Ų | 112.3 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 7.9 | -168.1 | -92.6 | -72.9 | 0 | 0 | 0 | 116.5 | ||
| 64 | S | 35 | Very low | 44.2 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 31.4 | -176.4 | 60.6 | 0 | 0 | 0 | 0 | 115.9 | L62 | L62-S64 PolarHBondContact O-N 3.4Š|
| 65 | L | 30.8 | Very low | 42.7 | Very low | 170 Ų | 170 | 123.9 Ų | 123.9 | 89% | 0.89 | 70% | 0.703 | S | S | * | * | trans | -166.7 | 99 | 163.5 | -105.4 | 156.9 | 0 | 0 | 0 | 110.5 | ||||
| 66 | S | 35.6 | Very low | 41.8 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | -140 | 63 | -174.8 | 55.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 67 | S | 32.9 | Very low | 41.4 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -125 | 118.9 | 141.1 | 61.3 | 0 | 0 | 0 | 0 | 108 | ||
| 68 | S | 33.7 | Very low | 41.6 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | cis | -156.1 | 144 | 2.9 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 69 | Q | 28.7 | Very low | 42.2 | Very low | 199 Ų | 199 | 124.2 Ų | 124.2 | 93% | 0.93 | 71% | 0.714 | S | S | * | * | trans | 13.4 | 103.2 | 160.1 | -63.2 | 177.9 | -8.3 | 0 | 0 | 118.5 | ||||
| 70 | S | 32.9 | Very low | 42.9 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -160.2 | 148 | 144.2 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 71 | S | 30.5 | Very low | 44.1 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | trans | -84.1 | 136.6 | -178.1 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 72 | V | 32.4 | Very low | 45 | Very low | 141 Ų | 141 | 114.4 Ų | 114.4 | 86% | 0.855 | 66% | 0.664 | S | S | * | * | trans | -135.1 | 151.9 | 166.8 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 73 | S | 33 | Very low | 46 | Very low | 107 Ų | 107 | 110.2 Ų | 110.2 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -110.7 | -157.7 | -164 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 74 | P | 42.2 | Very low | 46.8 | Very low | 110 Ų | 110 | 110.4 Ų | 110.4 | 71% | 0.714 | 64% | 0.644 | S | S | * | * | trans | -106.5 | -166.4 | -132.4 | 18.3 | 7.2 | 0 | 0 | 0 | 114.3 | ||||
| 75 | N | 36.7 | Very low | 47.6 | Very low | 151 Ų | 151 | 112.8 Ų | 112.8 | 81% | 0.807 | 64% | 0.643 | S | S | * | * | trans | 73.4 | 78.1 | 176.5 | -58.8 | -3.7 | 0 | 0 | 0 | 115.9 | ||||
| 76 | R | 49.3 | Very low | 48.8 | Very low | 157 Ų | 157 | 110.2 Ų | 110.2 | 59% | 0.592 | 63% | 0.627 | S | S | * | * | trans | -97.5 | 121 | 149.2 | -77.8 | -171.1 | 174.8 | -151.4 | -0.4 | 108.9 | I78 E157 | R76-I78 PolarHBondContact O-N 2.73Å; R76-E157 IonicContact NH1-OE2 3.98Å | ||
| 77 | N | 58.7 | Low | 49.7 | Very low | 134 Ų | 134 | 111.2 Ų | 111.2 | 72% | 0.717 | 63% | 0.628 | S | S | * | * | trans | -75.1 | 105.9 | 170.8 | -71.4 | -2.3 | 0 | 0 | 0 | 108.6 | ||||
| 78 | I | 65.1 | Low | 50.8 | Low | 42 Ų | 42 | 110 Ų | 110 | 22% | 0.215 | 61% | 0.609 | C | S | . | * | trans | -92.8 | 132.9 | 172 | -56 | 174.8 | 0 | 0 | 0 | 108.2 | L54 M58 R76 F96 I151 I152 | L54-I78 HydrophobicContact CD1-CG2 4.45Å; L54-I78 HydrophobicContact CD2-CG2 4.48Å; M58-I78 HydrophobicContact CE-CD1 4.23Å; M58-I78 HydrophobicContact SD-CD1 3.56Å; M58-I78 VanDerWaalsContact SD-CD1 3.56Å; R76-I78 PolarHBondContact O-N 2.73Å; I78-F96 HydrophobicContact CG2-CE1 4.26Å; I78-F96 HydrophobicContact CG2-CZ 4.47Å; I78-I151 HydrophobicContact CG2-CG2 3.67Å; I78-I152 VanDerWaalsContact CA-O 3.32Å; I78-I152 WeakPolarHBondContact CA-O 3.08Å | ||
| 79 | T | 71.9 | Confident | 52.3 | Low | 79 Ų | 79 | 107.8 Ų | 107.8 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.1 | 172.6 | 37 | 0 | 0 | 0 | 0 | 110.8 | I151 I152 | T79-I151 WeakPolarHBondContact O-CA 3.2Å; T79-I152 PolarHBondContact N-O 2.85Å; T79-I152 VanDerWaalsContact N-O 3.08Å; T79-I152 PolarHBondContact O-N 2.79Å |
| 80 | A | 71.9 | Confident | 54.5 | Low | 27 Ų | 27 | 98.7 Ų | 98.7 | 22% | 0.223 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L93 F96 V149 N150 I151 | A80-L93 HydrophobicContact CB-CD2 4.35Å; A80-F96 HydrophobicContact CB-CD1 3.94Å; A80-F96 HydrophobicContact CB-CE1 3.8Å; A80-V149 HydrophobicContact CB-CG1 4.21Å; A80-N150 CarbonylContact C-O 3.55Å; A80-N150 WeakPolarHBondContact CA-O 3.25Å; A80-I151 HydrophobicContact CB-CD1 4.44Å; A80-I151 HydrophobicContact CB-CG1 4.05Å |
| 81 | F | 76.2 | Confident | 56.7 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 33% | 0.333 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 139.5 | 176.4 | 67.1 | -81.1 | 0 | 0 | 0 | 111.4 | N83 N150 I152 P159 | F81-N83 WeakPolarHBondContact CE2-OD1 3.26Å; F81-N150 HydrophobicContact CD1-CB 3.92Å; F81-N150 WeakPolarHBondContact CD1-O 3.17Å; F81-N150 HydrophobicContact CD2-CB 4.15Å; F81-N150 HydrophobicContact CE1-CB 3.44Å; F81-N150 VanDerWaalsContact CE1-CB 3.44Å; F81-N150 HydrophobicContact CE2-CB 3.71Å; F81-N150 HydrophobicContact CG-CB 4.26Å; F81-N150 HydrophobicContact CZ-CB 3.33Å; F81-N150 PolarHBondContact N-O 2.03Å; F81-N150 PolarHBondContact O-N 2.79Å; F81-I152 HydrophobicContact CD1-CD1 4.41Å; F81-I152 HydrophobicContact CE1-CD1 3.77Å; F81-I152 HydrophobicContact CE1-CG1 4.03Å; F81-P159 HydrophobicContact CE1-CB 4.23Å; F81-P159 HydrophobicContact CZ-CB 4.14Å; F81-P159 HydrophobicContact CZ-CG 4.3Å |
| 82 | A | 68.2 | Low | 59 | Low | 24 Ų | 24 | 92.4 Ų | 92.4 | 20% | 0.198 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q84 W89 L93 | A82-Q84 PolarHBondContact O-N 2.89Å; A82-W89 HydrophobicContact CB-CH2 4.36Å; A82-W89 HydrophobicContact CB-CZ2 3.81Å; A82-L93 HydrophobicContact CB-CD2 4.38Å |
| 83 | N | 62.4 | Low | 61.2 | Low | 53 Ų | 53 | 88 Ų | 88 | 28% | 0.283 | 46% | 0.46 | S | S | . | . | trans | -75.1 | 84.3 | 177.9 | -90.2 | 15.5 | 0 | 0 | 0 | 110.6 | F81 Q85 W89 N150 | F81-N83 WeakPolarHBondContact CE2-OD1 3.26Å; N83-Q85 VanDerWaalsContact C-N 3.31Å; N83-Q85 PolarHBondContact O-N 2.87Å; N83-W89 WeakPolarHBondContact O-CH2 3.36Å; N83-W89 WeakPolarHBondContact O-CZ3 3.44Å; N83-N150 PolarHBondContact ND2-ND2 2.91Å; N83-N150 PolarHBondContact OD1-ND2 2.88Å | ||
| 84 | Q | 56 | Low | 63.5 | Low | 175 Ų | 175 | 86.7 Ų | 86.7 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | trans | -60.7 | 83.1 | -176.2 | -70 | -173.9 | -12.7 | 0 | 0 | 113.5 | A82 | A82-Q84 PolarHBondContact O-N 2.89Š| ||
| 85 | Q | 50.8 | Low | 65.1 | Low | 155 Ų | 155 | 86.7 Ų | 86.7 | 72% | 0.724 | 44% | 0.439 | S | S | * | . | trans | -140.4 | 66.8 | -179 | -65.7 | -171.9 | -68 | 0 | 0 | 110.6 | N83 | N83-Q85 VanDerWaalsContact C-N 3.31Å; N83-Q85 PolarHBondContact O-N 2.87Å | ||
| 86 | E | 56.7 | Low | 67.1 | Low | 115 Ų | 115 | 81.5 Ų | 81.5 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | trans | -175.6 | 146.9 | 151.4 | -107.6 | 168.7 | -144.6 | 0 | 0 | 109.6 | F88 K145 | E86-F88 PolarHBondContact O-N 3.3Å; E86-K145 IonicContact OE1-NZ 3.26Å; E86-K145 WeakPolarHBondContact OE2-CE 3.21Å; E86-K145 IonicContact OE2-NZ 2.67Å; E86-K145 PolarHBondContact OE2-NZ 3.19Å | ||
| 87 | T | 53.2 | Low | 68.8 | Low | 135 Ų | 135 | 76.1 Ų | 76.1 | 83% | 0.828 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -68.2 | -20.2 | 176.5 | 43.5 | 0 | 0 | 0 | 0 | 112.8 | W89 K102 | T87-W89 PolarHBondContact O-N 3.28Å; T87-K102 PolarHBondContact O-NZ 2.81Å |
| 88 | F | 57.6 | Low | 70 | Confident | 89 Ų | 89 | 69.9 Ų | 69.9 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | trans | -100.4 | 49 | -178.1 | -142.4 | -86.1 | 0 | 0 | 0 | 112.5 | E86 P90 M108 L112 | E86-F88 PolarHBondContact O-N 3.3Å; F88-P90 VanDerWaalsContact O-CD 3.23Å; F88-P90 WeakPolarHBondContact O-CD 3.43Å; F88-M108 HydrophobicContact CE1-CG 4.45Å; F88-M108 HydrophobicContact CE2-CG 4.22Å; F88-M108 HydrophobicContact CZ-CG 3.71Å; F88-L112 HydrophobicContact CD1-CD1 4.03Å; F88-L112 HydrophobicContact CD2-CD1 4.38Å; F88-L112 HydrophobicContact CE1-CD1 4.16Å; F88-L112 HydrophobicContact CE2-CD1 4.5Å; F88-L112 HydrophobicContact CG-CD1 4.15Å; F88-L112 HydrophobicContact CZ-CD1 4.4Å | ||
| 89 | W | 63.2 | Low | 70.9 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | trans | -95.8 | 105.7 | 172 | -145.8 | -57.1 | 0 | 0 | 0 | 109.6 | A82 N83 T87 F91 L147 | A82-W89 HydrophobicContact CB-CH2 4.36Å; A82-W89 HydrophobicContact CB-CZ2 3.81Å; N83-W89 WeakPolarHBondContact O-CH2 3.36Å; N83-W89 WeakPolarHBondContact O-CZ3 3.44Å; T87-W89 PolarHBondContact O-N 3.28Å; W89-F91 VanDerWaalsContact C-N 3.3Å; W89-L147 HydrophobicContact CH2-CD1 4.48Å; W89-L147 HydrophobicContact CZ2-CD1 3.38Å; W89-L147 VanDerWaalsContact NE1-CD1 3.35Å | ||
| 90 | P | 75 | Confident | 71.5 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | trans | -90.1 | 10.9 | 178.3 | 37 | -37.1 | 0 | 0 | 0 | 112.9 | F88 L100 A101 K102 L104 | F88-P90 VanDerWaalsContact O-CD 3.23Å; F88-P90 WeakPolarHBondContact O-CD 3.43Å; P90-L100 HydrophobicContact CB-CD1 4.48Å; P90-L100 WeakPolarHBondContact O-CD1 3.33Å; P90-A101 PolarHBondContact O-N 3.36Å; P90-K102 HydrophobicContact CB-CB 3.93Å; P90-K102 PolarHBondContact O-N 3.31Å; P90-L104 HydrophobicContact CB-CD2 3.98Å; P90-L104 HydrophobicContact CG-CD2 3.77Å | ||
| 91 | F | 79.1 | Confident | 72 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 7% | 0.066 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 150.8 | -173.2 | -46.2 | -58.1 | 0 | 0 | 0 | 112.2 | I47 W89 I98 K99 L100 L104 L147 V166 | I47-F91 HydrophobicContact CD1-CD1 3.6Å; I47-F91 HydrophobicContact CD1-CE1 3.53Å; W89-F91 VanDerWaalsContact C-N 3.3Å; F91-I98 HydrophobicContact CB-CG2 4.06Å; F91-I98 HydrophobicContact CG-CG2 4.48Å; F91-K99 CarbonylContact C-O 3.54Å; F91-K99 VanDerWaalsContact CA-O 3.26Å; F91-K99 WeakPolarHBondContact CA-O 3.32Å; F91-L100 HydrophobicContact CD1-CD1 3.95Å; F91-L100 HydrophobicContact CE1-CD1 3.81Å; F91-L104 HydrophobicContact CE1-CD1 4.45Å; F91-L104 HydrophobicContact CE1-CD2 4.12Å; F91-L104 HydrophobicContact CZ-CD2 4.12Å; F91-L147 HydrophobicContact CD2-CD1 4.33Å; F91-V166 HydrophobicContact CE1-CG1 4.28Å; F91-V166 HydrophobicContact CE2-CB 4.21Å; F91-V166 HydrophobicContact CE2-CG1 4.4Å; F91-V166 HydrophobicContact CE2-CG2 3.94Å; F91-V166 HydrophobicContact CZ-CB 3.97Å; F91-V166 HydrophobicContact CZ-CG1 3.67Å; F91-V166 HydrophobicContact CZ-CG2 3.98Å |
| 92 | I | 79.6 | Confident | 72.2 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 46% | 0.462 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.9 | 172.4 | -170.4 | 168.8 | 0 | 0 | 0 | 110.4 | I98 K99 A101 | I92-I98 CarbonylContact O-C 3.47Å; I92-I98 WeakPolarHBondContact O-CA 3.2Å; I92-K99 HydrophobicContact CG2-CB 3.87Å; I92-K99 PolarHBondContact N-O 3.47Å; I92-K99 PolarHBondContact O-N 2.78Å; I92-A101 HydrophobicContact CB-CB 4.33Å; I92-A101 HydrophobicContact CG2-CB 4.27Å |
| 93 | L | 78 | Confident | 72.7 | Confident | 47 Ų | 47 | 71.2 Ų | 71.2 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 120.7 | 175.8 | 178.4 | 65.7 | 0 | 0 | 0 | 109.4 | L50 A80 A82 L97 I98 V149 | L50-L93 HydrophobicContact CD1-CD1 3.6Å; A80-L93 HydrophobicContact CB-CD2 4.35Å; A82-L93 HydrophobicContact CB-CD2 4.38Å; L93-L97 WeakPolarHBondContact CA-O 3.16Å; L93-I98 HydrophobicContact CD1-CG1 3.86Å; L93-V149 HydrophobicContact CD2-CG1 4.17Å |
| 94 | D | 81 | Confident | 73.4 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 111.5 | -172.2 | 178.6 | 30.5 | 0 | 0 | 0 | 110.2 | F96 L97 K99 | D94-F96 PolarHBondContact O-N 2.75Å; D94-L97 PolarHBondContact N-O 3.45Å; D94-L97 WeakPolarHBondContact O-CA 3.24Å; D94-L97 VanDerWaalsContact O-CB 3.29Å; D94-L97 WeakPolarHBondContact O-CB 3.34Å; D94-L97 PolarHBondContact O-N 2.95Å; D94-K99 HydrophobicContact CB-CD 4.42Å; D94-K99 IonicContact OD2-NZ 2.64Å; D94-K99 PolarHBondContact OD2-NZ 2.83Å |
| 95 | D | 77.3 | Confident | 74.5 | Confident | 110 Ų | 110 | 63.9 Ų | 63.9 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37.2 | 60.1 | -170.1 | -169.8 | 45.9 | 0 | 0 | 0 | 114.5 | K51 L97 | K51-D95 PolarHBondContact NZ-O 3.47Å; K51-D95 IonicContact NZ-OD1 3.78Å; K51-D95 IonicContact NZ-OD2 2.69Å; K51-D95 PolarHBondContact NZ-OD2 3.15Å; D95-L97 PolarHBondContact O-N 2.77Å; D95-L97 VanDerWaalsContact O-N 3.12Å |
| 96 | F | 79.1 | Confident | 75.9 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 18% | 0.18 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -2.5 | -177.7 | -58 | -93.6 | 0 | 0 | 0 | 116.1 | L50 K51 L54 I78 A80 D94 | L50-F96 HydrophobicContact CB-CB 4.15Å; L50-F96 HydrophobicContact CB-CD1 4.24Å; L50-F96 PolarHBondContact N-O 3.06Å; K51-F96 HydrophobicContact CD-CB 4.03Å; K51-F96 HydrophobicContact CG-CB 3.86Å; K51-F96 HydrophobicContact CG-CD2 4.46Å; K51-F96 HydrophobicContact CG-CG 4.11Å; L54-F96 HydrophobicContact CD1-CD1 3.66Å; L54-F96 HydrophobicContact CD1-CE1 3.65Å; I78-F96 HydrophobicContact CG2-CE1 4.26Å; I78-F96 HydrophobicContact CG2-CZ 4.47Å; A80-F96 HydrophobicContact CB-CD1 3.94Å; A80-F96 HydrophobicContact CB-CE1 3.8Å; D94-F96 PolarHBondContact O-N 2.75Å |
| 97 | L | 84.4 | Confident | 76.8 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134 | 171.7 | -54 | 177.9 | 0 | 0 | 0 | 110.6 | V46 F48 D49 L93 D94 D95 K99 | V46-L97 HydrophobicContact CG1-CB 4.37Å; V46-L97 HydrophobicContact CG1-CD2 4.28Å; V46-L97 HydrophobicContact CG2-CD1 4.37Å; F48-L97 WeakPolarHBondContact O-CA 3.28Å; D49-L97 HydrophobicContact CB-CD2 3.69Å; L93-L97 WeakPolarHBondContact CA-O 3.16Å; D94-L97 PolarHBondContact N-O 3.45Å; D94-L97 WeakPolarHBondContact O-CA 3.24Å; D94-L97 VanDerWaalsContact O-CB 3.29Å; D94-L97 WeakPolarHBondContact O-CB 3.34Å; D94-L97 PolarHBondContact O-N 2.95Å; D95-L97 PolarHBondContact O-N 2.77Å; D95-L97 VanDerWaalsContact O-N 3.12Å; L97-K99 HydrophobicContact CB-CG 4.48Å |
| 98 | I | 82.6 | Confident | 77.9 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 122.2 | 169.6 | -68.5 | 155.5 | 0 | 0 | 0 | 107.9 | I47 F48 L50 F91 I92 L93 L147 V149 I164 | I47-I98 HydrophobicContact CB-CG2 4.47Å; I47-I98 PolarHBondContact N-O 2.86Å; F48-I98 HydrophobicContact CB-CB 4.2Å; F48-I98 HydrophobicContact CB-CD1 4.14Å; F48-I98 HydrophobicContact CD1-CD1 4.15Å; F48-I98 PolarHBondContact N-O 2.84Å; F48-I98 PolarHBondContact O-N 2.79Å; L50-I98 HydrophobicContact CD1-CD1 4.07Å; L50-I98 HydrophobicContact CD1-CG1 4.48Å; L50-I98 HydrophobicContact CG-CD1 4.46Å; F91-I98 HydrophobicContact CB-CG2 4.06Å; F91-I98 HydrophobicContact CG-CG2 4.48Å; I92-I98 CarbonylContact O-C 3.47Å; I92-I98 WeakPolarHBondContact O-CA 3.2Å; L93-I98 HydrophobicContact CD1-CG1 3.86Å; I98-L147 HydrophobicContact CD1-CD2 3.64Å; I98-L147 HydrophobicContact CG1-CD2 4.2Å; I98-L147 HydrophobicContact CG2-CD2 3.9Å; I98-V149 HydrophobicContact CD1-CG2 4.42Å; I98-I164 HydrophobicContact CD1-CD1 3.35Å |
| 99 | K | 85.6 | Confident | 78.7 | Confident | 43 Ų | 43 | 47 Ų | 47 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 150.5 | -174.9 | -61.5 | 173.5 | -174.9 | 174.9 | 0 | 111.4 | T45 V46 F91 I92 D94 L97 | T45-K99 CarbonylContact O-C 3.53Å; T45-K99 VanDerWaalsContact O-CA 3.3Å; T45-K99 WeakPolarHBondContact O-CA 3.34Å; V46-K99 HydrophobicContact CG2-CG 4.01Å; F91-K99 CarbonylContact C-O 3.54Å; F91-K99 VanDerWaalsContact CA-O 3.26Å; F91-K99 WeakPolarHBondContact CA-O 3.32Å; I92-K99 HydrophobicContact CG2-CB 3.87Å; I92-K99 PolarHBondContact N-O 3.47Å; I92-K99 PolarHBondContact O-N 2.78Å; D94-K99 HydrophobicContact CB-CD 4.42Å; D94-K99 IonicContact OD2-NZ 2.64Å; D94-K99 PolarHBondContact OD2-NZ 2.83Å; L97-K99 HydrophobicContact CB-CG 4.48Å |
| 100 | L | 83.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.4 | 175.6 | -166.1 | 69.6 | 0 | 0 | 0 | 111.6 | I41 L43 N44 T45 I47 P90 F91 K102 L104 | I41-L100 HydrophobicContact CB-CD2 4.41Å; I41-L100 HydrophobicContact CG2-CD2 3.94Å; I41-L100 WeakPolarHBondContact O-CD2 3.06Å; L43-L100 HydrophobicContact CD2-CD2 4.42Å; L43-L100 HydrophobicContact CD2-CG 4.46Å; N44-L100 WeakPolarHBondContact CA-O 3.18Å; N44-L100 PolarHBondContact N-O 3.41Å; T45-L100 PolarHBondContact O-N 3.48Å; I47-L100 HydrophobicContact CD1-CB 3.89Å; I47-L100 HydrophobicContact CD1-CD1 3.84Å; I47-L100 HydrophobicContact CD1-CG 4.44Å; P90-L100 HydrophobicContact CB-CD1 4.48Å; P90-L100 WeakPolarHBondContact O-CD1 3.33Å; F91-L100 HydrophobicContact CD1-CD1 3.95Å; F91-L100 HydrophobicContact CE1-CD1 3.81Å; L100-K102 VanDerWaalsContact CD1-O 3.28Å; L100-K102 WeakPolarHBondContact CD1-O 3.05Å; L100-K102 VanDerWaalsContact CG-O 3.24Å; L100-K102 WeakPolarHBondContact CG-O 3.23Å; L100-L104 HydrophobicContact CD1-CD1 3.92Å; L100-L104 HydrophobicContact CD1-CD2 4.15Å; L100-L104 HydrophobicContact CD1-CG 3.75Å |
| 101 | A | 81.5 | Confident | 79 | Confident | 48 Ų | 48 | 49.6 Ų | 49.6 | 40% | 0.397 | 26% | 0.263 | S | S | . | . | trans | -124.1 | -12.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | P90 I92 | P90-A101 PolarHBondContact O-N 3.36Å; I92-A101 HydrophobicContact CB-CB 4.33Å; I92-A101 HydrophobicContact CG2-CB 4.27Å | ||
| 102 | K | 80.8 | Confident | 78.5 | Confident | 92 Ų | 92 | 52 Ų | 52 | 40% | 0.4 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -139.1 | 159.7 | 169.4 | -58 | -177.4 | -174.8 | -178.3 | 0 | 108.8 | T87 P90 L100 | T87-K102 PolarHBondContact O-NZ 2.81Å; P90-K102 HydrophobicContact CB-CB 3.93Å; P90-K102 PolarHBondContact O-N 3.31Å; L100-K102 VanDerWaalsContact CD1-O 3.28Å; L100-K102 WeakPolarHBondContact CD1-O 3.05Å; L100-K102 VanDerWaalsContact CG-O 3.24Å; L100-K102 WeakPolarHBondContact CG-O 3.23Å |
| 103 | P | 78.4 | Confident | 77.8 | Confident | 93 Ų | 93 | 50.4 Ų | 50.4 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | trans | -55 | 152.4 | 169.6 | -23.5 | 34.8 | 0 | 0 | 0 | 111.8 | ||||
| 104 | L | 78.5 | Confident | 77.2 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | trans | -102.5 | 141.7 | 165.2 | -64.3 | 172.3 | 0 | 0 | 0 | 108.3 | V37 E39 N40 P90 F91 L100 I109 V168 | V37-L104 HydrophobicContact CB-CD1 4Å; V37-L104 HydrophobicContact CG1-CD1 3.47Å; V37-L104 VanDerWaalsContact CG1-CD1 3.47Å; E39-L104 HydrophobicContact CB-CB 4.35Å; N40-L104 PolarHBondContact N-O 3.5Å; P90-L104 HydrophobicContact CB-CD2 3.98Å; P90-L104 HydrophobicContact CG-CD2 3.77Å; F91-L104 HydrophobicContact CE1-CD1 4.45Å; F91-L104 HydrophobicContact CE1-CD2 4.12Å; F91-L104 HydrophobicContact CZ-CD2 4.12Å; L100-L104 HydrophobicContact CD1-CD1 3.92Å; L100-L104 HydrophobicContact CD1-CD2 4.15Å; L100-L104 HydrophobicContact CD1-CG 3.75Å; L104-I109 HydrophobicContact CD2-CD1 4.05Å; L104-V168 HydrophobicContact CB-CG1 4.38Å; L104-V168 HydrophobicContact CD1-CG2 4.16Å; L104-V168 HydrophobicContact CD2-CG2 4.38Å | ||
| 105 | D | 77.8 | Confident | 76.2 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | trans | -141.1 | 110 | -174.8 | 159 | -20 | 0 | 0 | 0 | 102.5 | E107 M108 I109 | D105-E107 PolarHBondContact OD1-N 2.99Å; D105-M108 HydrophobicContact CB-CB 4.24Å; D105-M108 WeakPolarHBondContact OD1-CB 3.44Å; D105-M108 PolarHBondContact OD1-N 2.87Å; D105-M108 WeakPolarHBondContact OD2-CB 3.46Å; D105-I109 WeakPolarHBondContact O-CD1 3.07Å; D105-I109 WeakPolarHBondContact O-CG1 3.5Å; D105-I109 PolarHBondContact O-N 2.97Å | ||
| 106 | R | 80 | Confident | 75.3 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.4 | -40.2 | -171.5 | -169.3 | -149.6 | 63.9 | 136.2 | -11.8 | 110 | E39 M108 I109 C110 C143 V168 D170 A206 | E39-R106 WeakPolarHBondContact OE2-CB 3.37Å; E39-R106 PolarHBondContact OE2-N 2.65Å; R106-M108 PolarHBondContact O-N 2.79Å; R106-I109 CarbonylContact O-C 3.54Å; R106-I109 WeakPolarHBondContact O-CA 3.39Å; R106-I109 WeakPolarHBondContact O-CB 3.11Å; R106-I109 PolarHBondContact O-N 2.69Å; R106-C110 PolarHBondContact O-N 2.03Å; R106-C110 PolarHBondContact O-SG 3.18Å; R106-C143 HydrophobicContact CG-CB 4.31Å; R106-V168 HydrophobicContact CB-CG1 3.93Å; R106-V168 HydrophobicContact CG-CB 4.29Å; R106-V168 HydrophobicContact CG-CG1 4.14Å; R106-D170 WeakPolarHBondContact CD-OD1 3.49Å; R106-D170 IonicContact CZ-OD1 3.1Å; R106-D170 IonicContact NE-OD1 3.78Å; R106-D170 PolarHBondContact NE-OD1 2.95Å; R106-D170 IonicContact NH1-OD1 2.69Å; R106-D170 IonicContact NH2-OD1 2.62Å; R106-D170 PolarHBondContact NH2-OD1 3.45Å; R106-A206 PolarHBondContact NH2-O 3.49Å |
| 107 | E | 76.7 | Confident | 74 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | -174.9 | -72.2 | 49.5 | -104.9 | 0 | 0 | 110.4 | D105 I109 C110 L111 A206 | D105-E107 PolarHBondContact OD1-N 2.99Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 3.27Å; E107-C110 WeakPolarHBondContact O-CB 3.1Å; E107-C110 PolarHBondContact O-N 3.46Å; E107-L111 WeakPolarHBondContact O-CB 3.3Å; E107-L111 VanDerWaalsContact O-CG 3.25Å; E107-L111 WeakPolarHBondContact O-CG 3.46Å; E107-L111 PolarHBondContact O-N 3.47Å; E107-A206 HydrophobicContact CG-CB 4.32Å |
| 108 | M | 75.7 | Confident | 72.3 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 36% | 0.36 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 173.9 | -173.5 | 62.4 | 56 | 0 | 0 | 111.9 | F88 D105 R106 L112 | F88-M108 HydrophobicContact CE1-CG 4.45Å; F88-M108 HydrophobicContact CE2-CG 4.22Å; F88-M108 HydrophobicContact CZ-CG 3.71Å; D105-M108 HydrophobicContact CB-CB 4.24Å; D105-M108 WeakPolarHBondContact OD1-CB 3.44Å; D105-M108 PolarHBondContact OD1-N 2.87Å; D105-M108 WeakPolarHBondContact OD2-CB 3.46Å; R106-M108 PolarHBondContact O-N 2.79Å; M108-L112 HydrophobicContact CG-CD1 4.24Å; M108-L112 WeakPolarHBondContact O-CB 3.49Å; M108-L112 VanDerWaalsContact O-CG 3.22Å; M108-L112 WeakPolarHBondContact O-CG 3.49Å; M108-L112 PolarHBondContact O-N 3.37Å |
| 109 | I | 74 | Confident | 70.5 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 176.9 | -67 | 167.5 | 0 | 0 | 0 | 110.7 | L104 D105 R106 E107 Q113 C143 V168 | L104-I109 HydrophobicContact CD2-CD1 4.05Å; D105-I109 WeakPolarHBondContact O-CD1 3.07Å; D105-I109 WeakPolarHBondContact O-CG1 3.5Å; D105-I109 PolarHBondContact O-N 2.97Å; R106-I109 CarbonylContact O-C 3.54Å; R106-I109 WeakPolarHBondContact O-CA 3.39Å; R106-I109 WeakPolarHBondContact O-CB 3.11Å; R106-I109 PolarHBondContact O-N 2.69Å; E107-I109 VanDerWaalsContact C-N 3.33Å; E107-I109 PolarHBondContact O-N 3.27Å; I109-Q113 VanDerWaalsContact O-CB 3.27Å; I109-Q113 WeakPolarHBondContact O-CB 3.3Å; I109-Q113 PolarHBondContact O-N 3.39Å; I109-C143 HydrophobicContact CG2-CB 4.12Å; I109-V168 HydrophobicContact CD1-CG2 3.62Å |
| 110 | C | 73 | Confident | 68.6 | Low | 20 Ų | 20 | 66.5 Ų | 66.5 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 171.7 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | R106 E107 Q113 T114 C143 | R106-C110 PolarHBondContact O-N 2.03Å; R106-C110 PolarHBondContact O-SG 3.18Å; E107-C110 WeakPolarHBondContact O-CB 3.1Å; E107-C110 PolarHBondContact O-N 3.46Å; C110-Q113 WeakPolarHBondContact O-CB 3.21Å; C110-Q113 PolarHBondContact O-N 3.25Å; C110-T114 WeakPolarHBondContact O-CB 3.16Å; C110-T114 PolarHBondContact O-N 2.73Å; C110-T114 PolarHBondContact O-OG1 3.09Å; C110-C143 WeakPolarHBondContact CA-SG 3.17Å; C110-C143 HydrophobicContact CB-CB 4.06Å; C110-C143 WeakPolarHBondContact CB-SG 3.19Å; C110-C143 WeakPolarHBondContact SG-CB 3.31Å; C110-C143 CovalentContact SG-SG 2.03Å; C110-C143 PolarHBondContact SG-SG 3.36Å |
| 111 | L | 72.2 | Confident | 66.9 | Low | 100 Ų | 100 | 71.6 Ų | 71.6 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.4 | -50.2 | 175.9 | -78 | 166 | 0 | 0 | 0 | 111.3 | E107 Q113 T114 E115 | E107-L111 WeakPolarHBondContact O-CB 3.3Å; E107-L111 VanDerWaalsContact O-CG 3.25Å; E107-L111 WeakPolarHBondContact O-CG 3.46Å; E107-L111 PolarHBondContact O-N 3.47Å; L111-Q113 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 3.44Å; L111-T114 CarbonylContact O-C 3.57Å; L111-T114 PolarHBondContact O-N 3.14Å; L111-E115 WeakPolarHBondContact O-CB 3.23Å; L111-E115 WeakPolarHBondContact O-CG 3.13Å; L111-E115 PolarHBondContact O-N 3.02Å |
| 112 | L | 68.6 | Low | 64.8 | Low | 65 Ų | 65 | 76.1 Ų | 76.1 | 34% | 0.34 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 176.7 | -72 | 169 | 0 | 0 | 0 | 112.3 | F88 M108 E115 S116 | F88-L112 HydrophobicContact CD1-CD1 4.03Å; F88-L112 HydrophobicContact CD2-CD1 4.38Å; F88-L112 HydrophobicContact CE1-CD1 4.16Å; F88-L112 HydrophobicContact CE2-CD1 4.5Å; F88-L112 HydrophobicContact CG-CD1 4.15Å; F88-L112 HydrophobicContact CZ-CD1 4.4Å; M108-L112 HydrophobicContact CG-CD1 4.24Å; M108-L112 WeakPolarHBondContact O-CB 3.49Å; M108-L112 VanDerWaalsContact O-CG 3.22Å; M108-L112 WeakPolarHBondContact O-CG 3.49Å; M108-L112 PolarHBondContact O-N 3.37Å; L112-E115 PolarHBondContact O-N 2.82Å; L112-S116 WeakPolarHBondContact O-CB 3.16Å; L112-S116 PolarHBondContact O-N 2.9Å |
| 113 | Q | 65.5 | Low | 62.6 | Low | 56 Ų | 56 | 81 Ų | 81 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 173.5 | -170.9 | 176.4 | -46.3 | 0 | 0 | 110.6 | I109 C110 L111 S116 L117 C144 | I109-Q113 VanDerWaalsContact O-CB 3.27Å; I109-Q113 WeakPolarHBondContact O-CB 3.3Å; I109-Q113 PolarHBondContact O-N 3.39Å; C110-Q113 WeakPolarHBondContact O-CB 3.21Å; C110-Q113 PolarHBondContact O-N 3.25Å; L111-Q113 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 3.44Å; Q113-S116 PolarHBondContact O-N 2.67Å; Q113-S116 PolarHBondContact O-OG 3.26Å; Q113-L117 WeakPolarHBondContact O-CG 3.42Å; Q113-L117 PolarHBondContact O-N 3.46Å; Q113-L117 VanDerWaalsContact O-N 3.1Å; Q113-C144 PolarHBondContact OE1-O 3.36Å |
| 114 | T | 63.9 | Low | 60.4 | Low | 62 Ų | 62 | 84.6 Ų | 84.6 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 175.5 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | C110 L111 L117 R118 | C110-T114 WeakPolarHBondContact O-CB 3.16Å; C110-T114 PolarHBondContact O-N 2.73Å; C110-T114 PolarHBondContact O-OG1 3.09Å; L111-T114 CarbonylContact O-C 3.57Å; L111-T114 PolarHBondContact O-N 3.14Å; T114-L117 PolarHBondContact O-N 2.52Å; T114-R118 WeakPolarHBondContact O-CB 3.35Å; T114-R118 WeakPolarHBondContact O-CG 3.48Å; T114-R118 PolarHBondContact O-N 3.4Å |
| 115 | E | 61.7 | Low | 58.2 | Low | 104 Ų | 104 | 88.8 Ų | 88.8 | 49% | 0.486 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 174.9 | -75.8 | -166.3 | 154.5 | 0 | 0 | 112 | L111 L112 L117 R118 H119 | L111-E115 WeakPolarHBondContact O-CB 3.23Å; L111-E115 WeakPolarHBondContact O-CG 3.13Å; L111-E115 PolarHBondContact O-N 3.02Å; L112-E115 PolarHBondContact O-N 2.82Å; E115-L117 VanDerWaalsContact C-N 3.3Å; E115-L117 PolarHBondContact O-N 3.38Å; E115-R118 PolarHBondContact O-N 2.73Å; E115-H119 PolarHBondContact O-N 2.77Å; E115-H119 PolarHBondContact O-ND1 2.81Å |
| 116 | S | 57 | Low | 56.1 | Low | 72 Ų | 72 | 91.5 Ų | 91.5 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.4 | 77.5 | 0 | 0 | 0 | 0 | 112 | L112 Q113 H119 S120 | L112-S116 WeakPolarHBondContact O-CB 3.16Å; L112-S116 PolarHBondContact O-N 2.9Å; Q113-S116 PolarHBondContact O-N 2.67Å; Q113-S116 PolarHBondContact O-OG 3.26Å; S116-H119 PolarHBondContact O-N 3.19Å; S116-S120 PolarHBondContact O-N 3.09Å |
| 117 | L | 53.2 | Low | 53.8 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 173.5 | -70.6 | 164 | 0 | 0 | 0 | 111.8 | Q113 T114 E115 H119 S120 V121 | Q113-L117 WeakPolarHBondContact O-CG 3.42Å; Q113-L117 PolarHBondContact O-N 3.46Å; Q113-L117 VanDerWaalsContact O-N 3.1Å; T114-L117 PolarHBondContact O-N 2.52Å; E115-L117 VanDerWaalsContact C-N 3.3Å; E115-L117 PolarHBondContact O-N 3.38Å; L117-H119 VanDerWaalsContact C-N 3.28Å; L117-H119 PolarHBondContact O-N 2.84Å; L117-S120 PolarHBondContact O-N 3.33Å; L117-S120 PolarHBondContact O-OG 2.91Å; L117-V121 WeakPolarHBondContact O-CG2 2.99Å; L117-V121 PolarHBondContact O-N 2.85Å; L117-V121 VanDerWaalsContact O-N 3.13Å |
| 118 | R | 47.4 | Very low | 51.7 | Low | 164 Ų | 164 | 98.1 Ų | 98.1 | 62% | 0.619 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -32.5 | 174.4 | -76.6 | 174.6 | 173.2 | 166.9 | -0.3 | 112.6 | T114 E115 N122 | T114-R118 WeakPolarHBondContact O-CB 3.35Å; T114-R118 WeakPolarHBondContact O-CG 3.48Å; T114-R118 PolarHBondContact O-N 3.4Å; E115-R118 PolarHBondContact O-N 2.73Å; R118-N122 PolarHBondContact O-N 3.16Å |
| 119 | H | 45.6 | Very low | 49.5 | Very low | 145 Ų | 145 | 99.6 Ų | 99.6 | 67% | 0.671 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.1 | -25.4 | 175.3 | -79.4 | 82.7 | 0 | 0 | 0 | 113.8 | E115 S116 L117 | E115-H119 PolarHBondContact O-N 2.77Å; E115-H119 PolarHBondContact O-ND1 2.81Å; S116-H119 PolarHBondContact O-N 3.19Å; L117-H119 VanDerWaalsContact C-N 3.28Å; L117-H119 PolarHBondContact O-N 2.84Å |
| 120 | S | 45.4 | Very low | 47.4 | Very low | 61 Ų | 61 | 103.3 Ų | 103.3 | 43% | 0.427 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -80 | -32.3 | 172.5 | 66.8 | 0 | 0 | 0 | 0 | 113 | S116 L117 | S116-S120 PolarHBondContact O-N 3.09Å; L117-S120 PolarHBondContact O-N 3.33Å; L117-S120 PolarHBondContact O-OG 2.91Å |
| 121 | V | 47.5 | Very low | 45.3 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 66% | 0.655 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -74.4 | -28.9 | -179.2 | 173.4 | 0 | 0 | 0 | 0 | 113.1 | L117 R123 | L117-V121 WeakPolarHBondContact O-CG2 2.99Å; L117-V121 PolarHBondContact O-N 2.85Å; L117-V121 VanDerWaalsContact O-N 3.13Å; V121-R123 PolarHBondContact O-N 2.93Å; V121-R123 VanDerWaalsContact O-N 3.12Å |
| 122 | N | 38.4 | Very low | 43.2 | Very low | 142 Ų | 142 | 111.6 Ų | 111.6 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 20.3 | 180 | -87.9 | -29.2 | 0 | 0 | 0 | 115.2 | R118 | R118-N122 PolarHBondContact O-N 3.16Š|
| 123 | R | 33.6 | Very low | 41.5 | Very low | 195 Ų | 195 | 111 Ų | 111 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | trans | -122.9 | 112.9 | 164.4 | -74.2 | -170 | 176.8 | -166.9 | 1.2 | 110.1 | V121 D125 | V121-R123 PolarHBondContact O-N 2.93Å; V121-R123 VanDerWaalsContact O-N 3.12Å; R123-D125 PolarHBondContact O-N 2.81Å | ||
| 124 | N | 33.6 | Very low | 40 | Very low | 169 Ų | 169 | 114.7 Ų | 114.7 | 90% | 0.904 | 63% | 0.629 | S | S | * | * | trans | -72.8 | 57.7 | 172.5 | -69.6 | -17.8 | 0 | 0 | 0 | 111.7 | ||||
| 125 | D | 31.7 | Very low | 38.9 | Very low | 90 Ų | 90 | 114.6 Ų | 114.6 | 48% | 0.481 | 63% | 0.631 | S | S | . | * | trans | -99.9 | 108.6 | 177.4 | -159.6 | -48 | 0 | 0 | 0 | 108.8 | R123 S127 | R123-D125 PolarHBondContact O-N 2.81Å; D125-S127 PolarHBondContact O-N 3.47Å; D125-S127 PolarHBondContact OD1-OG 2.73Å | ||
| 126 | P | 32.7 | Very low | 38.3 | Very low | 129 Ų | 129 | 117 Ų | 117 | 84% | 0.838 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 9.4 | -168.3 | -22.4 | 34.9 | 0 | 0 | 0 | 116.2 | ||
| 127 | S | 31.7 | Very low | 38.1 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 53% | 0.531 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.6 | -18.5 | -171.5 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | D125 A129 | D125-S127 PolarHBondContact O-N 3.47Å; D125-S127 PolarHBondContact OD1-OG 2.73Å; S127-A129 PolarHBondContact O-N 3.15Å |
| 128 | I | 34.1 | Very low | 38.4 | Very low | 117 Ų | 117 | 114 Ų | 114 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -83.9 | -11.5 | -170.2 | -56.6 | 179.5 | 0 | 0 | 0 | 113 | S130 | I128-S130 PolarHBondContact O-N 2.79Š|
| 129 | A | 29.6 | Very low | 38.9 | Very low | 104 Ų | 104 | 110.8 Ų | 110.8 | 86% | 0.86 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 22.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S127 | S127-A129 PolarHBondContact O-N 3.15Š|
| 130 | S | 28 | Very low | 39 | Very low | 91 Ų | 91 | 108.9 Ų | 108.9 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.9 | 25 | -169.9 | 63.4 | 0 | 0 | 0 | 0 | 117 | I128 | I128-S130 PolarHBondContact O-N 2.79Š|
| 131 | Y | 30 | Very low | 39.4 | Very low | 178 Ų | 178 | 108 Ų | 108 | 70% | 0.698 | 62% | 0.621 | S | S | * | * | trans | -127 | 71.5 | 168.3 | -108.2 | -86.5 | 0 | 0 | 0 | 113.3 | D133 | Y131-D133 HydrophobicContact CD1-CB 4.48Å; Y131-D133 VanDerWaalsContact CD1-OD2 3.24Å; Y131-D133 WeakPolarHBondContact CD1-OD2 3.18Å; Y131-D133 WeakPolarHBondContact CE1-OD2 3.23Å; Y131-D133 PolarHBondContact O-N 2.85Å | ||
| 132 | S | 27.3 | Very low | 39.8 | Very low | 117 Ų | 117 | 104 Ų | 104 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | trans | -77.5 | 66.8 | 166.9 | 50 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 133 | D | 33.4 | Very low | 41.3 | Very low | 52 Ų | 52 | 97.8 Ų | 97.8 | 28% | 0.278 | 57% | 0.567 | S | S | . | * | trans | -93.7 | 107.9 | 168.8 | -97 | -55.7 | 0 | 0 | 0 | 111.2 | K25 Y131 S135 Q136 | K25-D133 WeakPolarHBondContact CE-OD2 3.09Å; K25-D133 IonicContact NZ-OD1 3.29Å; K25-D133 PolarHBondContact NZ-OD1 3.48Å; K25-D133 IonicContact NZ-OD2 2.72Å; K25-D133 PolarHBondContact NZ-OD2 2.88Å; Y131-D133 HydrophobicContact CD1-CB 4.48Å; Y131-D133 VanDerWaalsContact CD1-OD2 3.24Å; Y131-D133 WeakPolarHBondContact CD1-OD2 3.18Å; Y131-D133 WeakPolarHBondContact CE1-OD2 3.23Å; Y131-D133 PolarHBondContact O-N 2.85Å; D133-S135 PolarHBondContact O-N 2.83Å; D133-Q136 PolarHBondContact O-N 2.81Å | ||
| 134 | T | 34.1 | Very low | 43.1 | Very low | 133 Ų | 133 | 89.4 Ų | 89.4 | 82% | 0.816 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 22.1 | -178.1 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 135 | S | 41.3 | Very low | 44.9 | Very low | 61 Ų | 61 | 85.2 Ų | 85.2 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -20.9 | 179.7 | 55 | 0 | 0 | 0 | 0 | 113.5 | L32 D133 | L32-S135 VanDerWaalsContact CD2-O 3.26Å; L32-S135 WeakPolarHBondContact CD2-O 3.26Å; D133-S135 PolarHBondContact O-N 2.83Å |
| 136 | Q | 47.9 | Very low | 46.7 | Very low | 154 Ų | 154 | 84.5 Ų | 84.5 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -87.4 | -17.4 | 176.2 | -72.2 | -171.2 | -21.3 | 0 | 0 | 113.7 | D133 Q165 | D133-Q136 PolarHBondContact O-N 2.81Å; Q136-Q165 PolarHBondContact O-NE2 2.66Å |
| 137 | V | 53.4 | Low | 48.7 | Very low | 97 Ų | 97 | 78.7 Ų | 78.7 | 59% | 0.588 | 47% | 0.469 | S | S | * | . | trans | -73.9 | 137.9 | -176.8 | -159.6 | 0 | 0 | 0 | 0 | 110.2 | R34 Q165 | R34-V137 PolarHBondContact NH2-O 2.91Å; R34-V137 VanDerWaalsContact NH2-O 3.15Å; V137-Q165 PolarHBondContact O-NE2 3.45Å | ||
| 138 | C | 60 | Low | 50.6 | Low | 12 Ų | 12 | 77.3 Ų | 77.3 | 8% | 0.081 | 45% | 0.454 | C | S | . | . | trans | -68 | 174.4 | 166.6 | -154.7 | 0 | 0 | 0 | 0 | 110.1 | A142 C143 C144 | C138-A142 WeakPolarHBondContact CB-O 3.45Å; C138-A142 PolarHBondContact SG-O 2.74Å; C138-C143 VanDerWaalsContact SG-C 3.59Å; C138-C144 VanDerWaalsContact CA-SG 3.56Å; C138-C144 HydrophobicContact CB-CB 3.62Å; C138-C144 WeakPolarHBondContact CB-SG 3.3Å; C138-C144 WeakPolarHBondContact SG-CB 3.19Å; C138-C144 PolarHBondContact SG-N 3.43Å; C138-C144 CovalentContact SG-SG 2.03Å; C138-C144 PolarHBondContact SG-SG 3.43Å | ||
| 139 | L | 57.2 | Low | 52.6 | Low | 96 Ų | 96 | 71.8 Ų | 71.8 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | trans | -64.3 | 143.7 | 164.3 | -80.5 | 152.2 | 0 | 0 | 0 | 109.1 | G141 A142 | L139-G141 PolarHBondContact O-N 2.76Å; L139-A142 HydrophobicContact CB-CB 3.93Å; L139-A142 PolarHBondContact O-N 3.04Å | ||
| 140 | P | 48.9 | Very low | 54.7 | Low | 105 Ų | 105 | 67.5 Ų | 67.5 | 68% | 0.682 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 134.8 | 167 | -23.9 | 34.4 | 0 | 0 | 0 | 110.2 | A142 L256 | P140-A142 VanDerWaalsContact C-N 3.26Å; P140-A142 PolarHBondContact O-N 2.65Å; P140-L256 HydrophobicContact CB-CD2 4.18Å |
| 141 | G | 52.2 | Low | 56.9 | Low | 41 Ų | 41 | 63.2 Ų | 63.2 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -11.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L139 | L139-G141 PolarHBondContact O-N 2.76Š|
| 142 | A | 57 | Low | 58.8 | Low | 25 Ų | 25 | 56.8 Ų | 56.8 | 21% | 0.207 | 34% | 0.336 | C | S | . | . | trans | -105.1 | 150.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C138 L139 P140 | C138-A142 WeakPolarHBondContact CB-O 3.45Å; C138-A142 PolarHBondContact SG-O 2.74Å; L139-A142 HydrophobicContact CB-CB 3.93Å; L139-A142 PolarHBondContact O-N 3.04Å; P140-A142 VanDerWaalsContact C-N 3.26Å; P140-A142 PolarHBondContact O-N 2.65Å | ||
| 143 | C | 69.9 | Low | 60.6 | Low | 12 Ų | 12 | 52.5 Ų | 52.5 | 8% | 0.081 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.5 | 178.4 | -59.7 | 0 | 0 | 0 | 0 | 110 | R106 I109 C110 C138 V168 | R106-C143 HydrophobicContact CG-CB 4.31Å; I109-C143 HydrophobicContact CG2-CB 4.12Å; C110-C143 WeakPolarHBondContact CA-SG 3.17Å; C110-C143 HydrophobicContact CB-CB 4.06Å; C110-C143 WeakPolarHBondContact CB-SG 3.19Å; C110-C143 WeakPolarHBondContact SG-CB 3.31Å; C110-C143 CovalentContact SG-SG 2.03Å; C110-C143 PolarHBondContact SG-SG 3.36Å; C138-C143 VanDerWaalsContact SG-C 3.59Å; C143-V168 PolarHBondContact O-N 3.44Å |
| 144 | C | 70.6 | Confident | 62 | Low | 19 Ų | 19 | 51.1 Ų | 51.1 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133 | -167.3 | -75.6 | 0 | 0 | 0 | 0 | 112.1 | Q113 C138 Q165 V166 | Q113-C144 PolarHBondContact OE1-O 3.36Å; C138-C144 VanDerWaalsContact CA-SG 3.56Å; C138-C144 HydrophobicContact CB-CB 3.62Å; C138-C144 WeakPolarHBondContact CB-SG 3.3Å; C138-C144 WeakPolarHBondContact SG-CB 3.19Å; C138-C144 PolarHBondContact SG-N 3.43Å; C138-C144 CovalentContact SG-SG 2.03Å; C138-C144 PolarHBondContact SG-SG 3.43Å; C144-Q165 HydrophobicContact CB-CG 3.82Å; C144-V166 CarbonylContact C-O 3.57Å; C144-V166 VanDerWaalsContact CA-O 3.29Å; C144-V166 WeakPolarHBondContact CA-O 3.13Å |
| 145 | K | 72.3 | Confident | 63.4 | Low | 81 Ų | 81 | 50.9 Ų | 50.9 | 35% | 0.352 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.4 | 163.8 | -167.6 | 68.3 | 173.4 | -179.5 | 0 | 110.1 | E86 V166 | E86-K145 IonicContact OE1-NZ 3.26Å; E86-K145 WeakPolarHBondContact OE2-CE 3.21Å; E86-K145 IonicContact OE2-NZ 2.67Å; E86-K145 PolarHBondContact OE2-NZ 3.19Å; K145-V166 PolarHBondContact N-O 3.47Å; K145-V166 PolarHBondContact O-N 3.37Å |
| 146 | L | 69.4 | Low | 64.5 | Low | 74 Ų | 74 | 54 Ų | 54 | 39% | 0.387 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 112.6 | 176.3 | -158.3 | 74.9 | 0 | 0 | 0 | 109.7 | L32 Y163 Q165 | L32-L146 HydrophobicContact CD1-CD1 3.77Å; L146-Y163 HydrophobicContact CD2-CD1 3.57Å; L146-Y163 HydrophobicContact CD2-CE1 4.18Å; L146-Y163 HydrophobicContact CD2-CG 4.27Å; L146-Y163 HydrophobicContact CG-CD1 3.98Å; L146-Q165 HydrophobicContact CD1-CB 4.01Å; L146-Q165 HydrophobicContact CD1-CG 4.25Å |
| 147 | L | 74.8 | Confident | 65.3 | Low | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.1 | 177.1 | 175.9 | 67.2 | 0 | 0 | 0 | 109.8 | W89 F91 I98 V149 Y163 I164 | W89-L147 HydrophobicContact CH2-CD1 4.48Å; W89-L147 HydrophobicContact CZ2-CD1 3.38Å; W89-L147 VanDerWaalsContact NE1-CD1 3.35Å; F91-L147 HydrophobicContact CD2-CD1 4.33Å; I98-L147 HydrophobicContact CD1-CD2 3.64Å; I98-L147 HydrophobicContact CG1-CD2 4.2Å; I98-L147 HydrophobicContact CG2-CD2 3.9Å; L147-V149 HydrophobicContact CD2-CG2 4.46Å; L147-V149 HydrophobicContact CG-CG2 4.21Å; L147-Y163 WeakPolarHBondContact O-CA 3.48Å; L147-I164 HydrophobicContact CB-CB 4.17Å; L147-I164 WeakPolarHBondContact CB-O 3.16Å; L147-I164 HydrophobicContact CD2-CB 4.32Å; L147-I164 HydrophobicContact CD2-CG2 4.5Å; L147-I164 PolarHBondContact N-O 2.92Å; L147-I164 PolarHBondContact O-N 3.4Å |
| 148 | H | 71.8 | Confident | 66 | Low | 46 Ų | 46 | 53.2 Ų | 53.2 | 21% | 0.213 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.8 | -176.9 | -177.7 | -130.1 | 0 | 0 | 0 | 111.5 | P161 Y163 | H148-P161 WeakPolarHBondContact NE2-CB 3.35Å; H148-Y163 HydrophobicContact CB-CE1 4.44Å; H148-Y163 AromaticContact CD2-CD1 3.93Å; H148-Y163 AromaticContact CD2-CE1 3.37Å; H148-Y163 WeakPolarHBondContact CD2-CE1 3.24Å; H148-Y163 AromaticContact CD2-CZ 3.72Å |
| 149 | V | 75.1 | Confident | 66.4 | Low | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.3 | -179.7 | -176 | 0 | 0 | 0 | 0 | 109 | L50 A80 L93 I98 L147 I151 F162 I164 | L50-V149 HydrophobicContact CD1-CG1 4.1Å; A80-V149 HydrophobicContact CB-CG1 4.21Å; L93-V149 HydrophobicContact CD2-CG1 4.17Å; I98-V149 HydrophobicContact CD1-CG2 4.42Å; L147-V149 HydrophobicContact CD2-CG2 4.46Å; L147-V149 HydrophobicContact CG-CG2 4.21Å; V149-I151 HydrophobicContact CG1-CG1 4.28Å; V149-F162 PolarHBondContact N-O 3.01Å; V149-F162 WeakPolarHBondContact O-CA 3.29Å; V149-F162 WeakPolarHBondContact O-CB 3.11Å; V149-F162 PolarHBondContact O-N 3.43Å; V149-I164 HydrophobicContact CG2-CD1 4.37Å |
| 150 | N | 73.9 | Confident | 66.9 | Low | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.08 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 140.2 | 174.1 | -76.4 | -50.9 | 0 | 0 | 0 | 110.5 | A80 F81 N83 P159 | A80-N150 CarbonylContact C-O 3.55Å; A80-N150 WeakPolarHBondContact CA-O 3.25Å; F81-N150 HydrophobicContact CD1-CB 3.92Å; F81-N150 WeakPolarHBondContact CD1-O 3.17Å; F81-N150 HydrophobicContact CD2-CB 4.15Å; F81-N150 HydrophobicContact CE1-CB 3.44Å; F81-N150 VanDerWaalsContact CE1-CB 3.44Å; F81-N150 HydrophobicContact CE2-CB 3.71Å; F81-N150 HydrophobicContact CG-CB 4.26Å; F81-N150 HydrophobicContact CZ-CB 3.33Å; F81-N150 PolarHBondContact N-O 2.03Å; F81-N150 PolarHBondContact O-N 2.79Å; N83-N150 PolarHBondContact ND2-ND2 2.91Å; N83-N150 PolarHBondContact OD1-ND2 2.88Å; N150-P159 HydrophobicContact CB-CB 4.15Å |
| 151 | I | 73.7 | Confident | 67.8 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.1 | -178.6 | -53.5 | -172.8 | 0 | 0 | 0 | 110.1 | L50 L54 I78 T79 A80 V149 T160 F162 | L50-I151 HydrophobicContact CD2-CD1 4.13Å; L54-I151 HydrophobicContact CD1-CD1 4.41Å; L54-I151 HydrophobicContact CD2-CD1 3.77Å; L54-I151 HydrophobicContact CD2-CG2 3.85Å; L54-I151 HydrophobicContact CG-CD1 4.32Å; I78-I151 HydrophobicContact CG2-CG2 3.67Å; T79-I151 WeakPolarHBondContact O-CA 3.2Å; A80-I151 HydrophobicContact CB-CD1 4.44Å; A80-I151 HydrophobicContact CB-CG1 4.05Å; V149-I151 HydrophobicContact CG1-CG1 4.28Å; I151-T160 PolarHBondContact N-O 3.48Å; I151-T160 PolarHBondContact O-N 2.76Å; I151-T160 PolarHBondContact O-OG1 3.35Å; I151-F162 HydrophobicContact CB-CD2 3.92Å; I151-F162 HydrophobicContact CB-CE2 3.8Å; I151-F162 HydrophobicContact CD1-CB 4.47Å; I151-F162 HydrophobicContact CD1-CD1 4.49Å; I151-F162 HydrophobicContact CD1-CD2 3.43Å; I151-F162 VanDerWaalsContact CD1-CD2 3.43Å; I151-F162 HydrophobicContact CD1-CE2 3.67Å; I151-F162 HydrophobicContact CD1-CG 3.89Å; I151-F162 HydrophobicContact CD1-CZ 4.3Å; I151-F162 HydrophobicContact CG1-CD2 3.57Å; I151-F162 HydrophobicContact CG1-CE2 3.9Å; I151-F162 HydrophobicContact CG1-CG 4.38Å |
| 152 | I | 70 | Confident | 68.8 | Low | 43 Ų | 43 | 48.7 Ų | 48.7 | 22% | 0.221 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121 | 177 | -62.2 | 168 | 0 | 0 | 0 | 108.1 | I78 T79 F81 S154 P159 | I78-I152 VanDerWaalsContact CA-O 3.32Å; I78-I152 WeakPolarHBondContact CA-O 3.08Å; T79-I152 PolarHBondContact N-O 2.85Å; T79-I152 VanDerWaalsContact N-O 3.08Å; T79-I152 PolarHBondContact O-N 2.79Å; F81-I152 HydrophobicContact CD1-CD1 4.41Å; F81-I152 HydrophobicContact CE1-CD1 3.77Å; F81-I152 HydrophobicContact CE1-CG1 4.03Å; I152-S154 WeakPolarHBondContact CG2-O 3.24Å; I152-P159 HydrophobicContact CD1-CG 4.35Å; I152-P159 HydrophobicContact CG1-CB 4.14Å; I152-P159 HydrophobicContact CG1-CG 4.1Å |
| 153 | T | 65.3 | Low | 69.6 | Low | 27 Ų | 27 | 50.1 Ų | 50.1 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -101 | -11.1 | -179.1 | 41.6 | 0 | 0 | 0 | 0 | 114.2 | E157 | T153-E157 VanDerWaalsContact C-OE2 3.3Å; T153-E157 VanDerWaalsContact CB-OE2 3.29Å; T153-E157 WeakPolarHBondContact CB-OE2 3.36Å; T153-E157 PolarHBondContact OG1-OE2 2.89Å |
| 154 | S | 63.5 | Low | 69.9 | Low | 24 Ų | 24 | 49.6 Ų | 49.6 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -156.2 | 146.6 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | I152 T156 E157 | I152-S154 WeakPolarHBondContact CG2-O 3.24Å; S154-T156 PolarHBondContact O-N 2.91Å; S154-T156 PolarHBondContact OG-N 3.45Å; S154-T156 PolarHBondContact OG-OG1 3.02Å; S154-T156 VanDerWaalsContact OG-OG1 3.12Å; S154-E157 VanDerWaalsContact CB-CD 3.49Å; S154-E157 WeakPolarHBondContact CB-OE2 3.17Å; S154-E157 PolarHBondContact N-OE2 3.32Å; S154-E157 PolarHBondContact O-N 3.15Å; S154-E157 VanDerWaalsContact O-N 3.08Å |
| 155 | P | 62.9 | Low | 70.2 | Confident | 127 Ų | 127 | 48.9 Ų | 48.9 | 83% | 0.825 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -9.6 | 171.3 | -23.9 | 34.6 | 0 | 0 | 0 | 115.5 | ||
| 156 | T | 65.4 | Low | 70.5 | Confident | 127 Ų | 127 | 45.1 Ų | 45.1 | 78% | 0.779 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 0.4 | 178.8 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | S154 | S154-T156 PolarHBondContact O-N 2.91Å; S154-T156 PolarHBondContact OG-N 3.45Å; S154-T156 PolarHBondContact OG-OG1 3.02Å; S154-T156 VanDerWaalsContact OG-OG1 3.12Å |
| 157 | E | 64.4 | Low | 70.8 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -96.9 | 146.3 | 177.4 | -75.1 | 166.3 | 164.6 | 0 | 0 | 109.8 | R76 T153 S154 | R76-E157 IonicContact NH1-OE2 3.98Å; T153-E157 VanDerWaalsContact C-OE2 3.3Å; T153-E157 VanDerWaalsContact CB-OE2 3.29Å; T153-E157 WeakPolarHBondContact CB-OE2 3.36Å; T153-E157 PolarHBondContact OG1-OE2 2.89Å; S154-E157 VanDerWaalsContact CB-CD 3.49Å; S154-E157 WeakPolarHBondContact CB-OE2 3.17Å; S154-E157 PolarHBondContact N-OE2 3.32Å; S154-E157 PolarHBondContact O-N 3.15Å; S154-E157 VanDerWaalsContact O-N 3.08Å |
| 158 | L | 68.4 | Low | 71 | Confident | 152 Ų | 152 | 41.6 Ų | 41.6 | 80% | 0.796 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -66.6 | 147.4 | 172.9 | -74.9 | 165.5 | 0 | 0 | 0 | 109.9 | T160 | L158-T160 PolarHBondContact O-N 2.78Š|
| 159 | P | 67.3 | Low | 71.3 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 37% | 0.37 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -57 | 124.3 | 173.8 | -21.8 | 32.3 | 0 | 0 | 0 | 110.6 | F81 N150 I152 | F81-P159 HydrophobicContact CE1-CB 4.23Å; F81-P159 HydrophobicContact CZ-CB 4.14Å; F81-P159 HydrophobicContact CZ-CG 4.3Å; N150-P159 HydrophobicContact CB-CB 4.15Å; I152-P159 HydrophobicContact CD1-CG 4.35Å; I152-P159 HydrophobicContact CG1-CB 4.14Å; I152-P159 HydrophobicContact CG1-CG 4.1Å |
| 160 | T | 68.1 | Low | 71.5 | Confident | 54 Ų | 54 | 45 Ų | 45 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.4 | 177 | 50.5 | 0 | 0 | 0 | 0 | 109.2 | I151 L158 F162 | I151-T160 PolarHBondContact N-O 3.48Å; I151-T160 PolarHBondContact O-N 2.76Å; I151-T160 PolarHBondContact O-OG1 3.35Å; L158-T160 PolarHBondContact O-N 2.78Å; T160-F162 WeakPolarHBondContact O-CD2 3.07Å; T160-F162 WeakPolarHBondContact OG1-CE2 3.47Å |
| 161 | P | 69.1 | Low | 71.8 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 25% | 0.253 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.6 | -178.6 | 31.6 | -33.8 | 0 | 0 | 0 | 111 | H148 Y163 | H148-P161 WeakPolarHBondContact NE2-CB 3.35Å; P161-Y163 HydrophobicContact CB-CE2 4.09Å; P161-Y163 HydrophobicContact CG-CE2 4.47Å |
| 162 | F | 72.8 | Confident | 72.3 | Confident | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.8 | 170.4 | -70.9 | -101.6 | 0 | 0 | 0 | 109.5 | L31 M53 H57 V149 I151 T160 | L31-F162 HydrophobicContact CB-CD1 3.51Å; L31-F162 HydrophobicContact CB-CE1 3.63Å; L31-F162 HydrophobicContact CD2-CD1 4.47Å; L31-F162 HydrophobicContact CD2-CE1 4.07Å; L31-F162 HydrophobicContact CG-CE1 4.29Å; M53-F162 HydrophobicContact CE-CD1 3.4Å; M53-F162 HydrophobicContact CE-CE1 3.28Å; M53-F162 HydrophobicContact CE-CG 4.3Å; M53-F162 HydrophobicContact CE-CZ 4.12Å; M53-F162 HydrophobicContact SD-CD1 3.76Å; M53-F162 HydrophobicContact SD-CE1 4.02Å; H57-F162 AromaticContact CD2-CZ 3.91Å; V149-F162 PolarHBondContact N-O 3.01Å; V149-F162 WeakPolarHBondContact O-CA 3.29Å; V149-F162 WeakPolarHBondContact O-CB 3.11Å; V149-F162 PolarHBondContact O-N 3.43Å; I151-F162 HydrophobicContact CB-CD2 3.92Å; I151-F162 HydrophobicContact CB-CE2 3.8Å; I151-F162 HydrophobicContact CD1-CB 4.47Å; I151-F162 HydrophobicContact CD1-CD1 4.49Å; I151-F162 HydrophobicContact CD1-CD2 3.43Å; I151-F162 VanDerWaalsContact CD1-CD2 3.43Å; I151-F162 HydrophobicContact CD1-CE2 3.67Å; I151-F162 HydrophobicContact CD1-CG 3.89Å; I151-F162 HydrophobicContact CD1-CZ 4.3Å; I151-F162 HydrophobicContact CG1-CD2 3.57Å; I151-F162 HydrophobicContact CG1-CE2 3.9Å; I151-F162 HydrophobicContact CG1-CG 4.38Å; T160-F162 WeakPolarHBondContact O-CD2 3.07Å; T160-F162 WeakPolarHBondContact OG1-CE2 3.47Å |
| 163 | Y | 73.4 | Confident | 73 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.9 | 179.6 | -61.6 | -83.9 | 0 | 0 | 0 | 109.7 | Q30 L31 L32 E33 L146 L147 H148 P161 | Q30-Y163 HydrophobicContact CB-CD2 4.32Å; Q30-Y163 HydrophobicContact CB-CE2 4.28Å; Q30-Y163 HydrophobicContact CG-CE2 4.36Å; L31-Y163 PolarHBondContact O-N 2.91Å; L32-Y163 WeakPolarHBondContact CA-O 3.27Å; E33-Y163 PolarHBondContact N-O 3.27Å; E33-Y163 VanDerWaalsContact N-O 3.14Å; L146-Y163 HydrophobicContact CD2-CD1 3.57Å; L146-Y163 HydrophobicContact CD2-CE1 4.18Å; L146-Y163 HydrophobicContact CD2-CG 4.27Å; L146-Y163 HydrophobicContact CG-CD1 3.98Å; L147-Y163 WeakPolarHBondContact O-CA 3.48Å; H148-Y163 HydrophobicContact CB-CE1 4.44Å; H148-Y163 AromaticContact CD2-CD1 3.93Å; H148-Y163 AromaticContact CD2-CE1 3.37Å; H148-Y163 WeakPolarHBondContact CD2-CE1 3.24Å; H148-Y163 AromaticContact CD2-CZ 3.72Å; P161-Y163 HydrophobicContact CB-CE2 4.09Å; P161-Y163 HydrophobicContact CG-CE2 4.47Å |
| 164 | I | 76.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110.2 | 176 | -65.7 | 167.1 | 0 | 0 | 0 | 107.1 | E33 V35 F48 L50 I98 L147 V149 V166 | E33-I164 CarbonylContact O-C 3.51Å; E33-I164 WeakPolarHBondContact O-CA 3.34Å; V35-I164 HydrophobicContact CG2-CG2 3.85Å; F48-I164 HydrophobicContact CD1-CD1 3.54Å; F48-I164 HydrophobicContact CD1-CG1 4.41Å; F48-I164 HydrophobicContact CE1-CD1 3.73Å; F48-I164 HydrophobicContact CE1-CG1 4.31Å; F48-I164 HydrophobicContact CG-CD1 4.31Å; L50-I164 HydrophobicContact CD2-CD1 4.05Å; I98-I164 HydrophobicContact CD1-CD1 3.35Å; L147-I164 HydrophobicContact CB-CB 4.17Å; L147-I164 WeakPolarHBondContact CB-O 3.16Å; L147-I164 HydrophobicContact CD2-CB 4.32Å; L147-I164 HydrophobicContact CD2-CG2 4.5Å; L147-I164 PolarHBondContact N-O 2.92Å; L147-I164 PolarHBondContact O-N 3.4Å; V149-I164 HydrophobicContact CG2-CD1 4.37Å; I164-V166 HydrophobicContact CG2-CG2 4.17Å; I164-V166 PolarHBondContact O-N 2.79Å |
| 165 | Q | 75.9 | Confident | 75.2 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 102.5 | 178.7 | -165.7 | 179.9 | 38.5 | 0 | 0 | 108.8 | L32 E33 R34 V35 Q136 V137 C144 L146 A167 | L32-Q165 HydrophobicContact CD1-CB 4.18Å; E33-Q165 PolarHBondContact O-N 2.98Å; R34-Q165 WeakPolarHBondContact CA-O 3.44Å; R34-Q165 HydrophobicContact CB-CB 4.44Å; R34-Q165 HydrophobicContact CG-CB 4.46Å; V35-Q165 PolarHBondContact N-O 3.08Å; Q136-Q165 PolarHBondContact O-NE2 2.66Å; V137-Q165 PolarHBondContact O-NE2 3.45Å; C144-Q165 HydrophobicContact CB-CG 3.82Å; L146-Q165 HydrophobicContact CD1-CB 4.01Å; L146-Q165 HydrophobicContact CD1-CG 4.25Å; Q165-A167 PolarHBondContact O-N 2.78Å |
| 166 | V | 78.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.8 | 175.2 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | V35 V37 F91 C144 K145 I164 | V35-V166 WeakPolarHBondContact O-CA 3.48Å; V37-V166 HydrophobicContact CB-CG1 4.25Å; V37-V166 HydrophobicContact CG2-CG1 3.65Å; F91-V166 HydrophobicContact CE1-CG1 4.28Å; F91-V166 HydrophobicContact CE2-CB 4.21Å; F91-V166 HydrophobicContact CE2-CG1 4.4Å; F91-V166 HydrophobicContact CE2-CG2 3.94Å; F91-V166 HydrophobicContact CZ-CB 3.97Å; F91-V166 HydrophobicContact CZ-CG1 3.67Å; F91-V166 HydrophobicContact CZ-CG2 3.98Å; C144-V166 CarbonylContact C-O 3.57Å; C144-V166 VanDerWaalsContact CA-O 3.29Å; C144-V166 WeakPolarHBondContact CA-O 3.13Å; K145-V166 PolarHBondContact N-O 3.47Å; K145-V166 PolarHBondContact O-N 3.37Å; I164-V166 HydrophobicContact CG2-CG2 4.17Å; I164-V166 PolarHBondContact O-N 2.79Å |
| 167 | A | 76.9 | Confident | 77.8 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109 | V35 T36 V37 Q165 | V35-A167 PolarHBondContact O-N 3.47Å; T36-A167 WeakPolarHBondContact CA-O 3.03Å; T36-A167 HydrophobicContact CG2-CB 4.46Å; V37-A167 PolarHBondContact N-O 3.32Å; Q165-A167 PolarHBondContact O-N 2.78Å |
| 168 | V | 78.8 | Confident | 79 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.9 | 176.5 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | V37 E39 L104 R106 I109 C143 | V37-V168 CarbonylContact O-C 3.6Å; V37-V168 VanDerWaalsContact O-CA 3.26Å; V37-V168 WeakPolarHBondContact O-CA 3.25Å; E39-V168 HydrophobicContact CB-CG1 3.82Å; L104-V168 HydrophobicContact CB-CG1 4.38Å; L104-V168 HydrophobicContact CD1-CG2 4.16Å; L104-V168 HydrophobicContact CD2-CG2 4.38Å; R106-V168 HydrophobicContact CB-CG1 3.93Å; R106-V168 HydrophobicContact CG-CB 4.29Å; R106-V168 HydrophobicContact CG-CG1 4.14Å; I109-V168 HydrophobicContact CD1-CG2 3.62Å; C143-V168 PolarHBondContact O-N 3.44Å |
| 169 | Q | 76.7 | Confident | 79.8 | Confident | 105 Ų | 105 | 36.4 Ų | 36.4 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.8 | 172.8 | -79.8 | -175.4 | -70.5 | 0 | 0 | 110.6 | V37 Q38 E39 | V37-Q169 PolarHBondContact O-N 3.15Å; Q38-Q169 WeakPolarHBondContact CA-O 3.29Å; E39-Q169 PolarHBondContact N-O 3.47Å |
| 170 | D | 79.7 | Confident | 80.5 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 148.8 | 178.1 | -154.9 | 66.4 | 0 | 0 | 0 | 113.5 | R106 S208 F211 | R106-D170 WeakPolarHBondContact CD-OD1 3.49Å; R106-D170 IonicContact CZ-OD1 3.1Å; R106-D170 IonicContact NE-OD1 3.78Å; R106-D170 PolarHBondContact NE-OD1 2.95Å; R106-D170 IonicContact NH1-OD1 2.69Å; R106-D170 IonicContact NH2-OD1 2.62Å; R106-D170 PolarHBondContact NH2-OD1 3.45Å; D170-S208 WeakPolarHBondContact CB-OG 3.39Å; D170-S208 VanDerWaalsContact CG-CB 3.42Å; D170-S208 PolarHBondContact OD1-N 2.9Å; D170-S208 VanDerWaalsContact OD1-N 3.16Å; D170-S208 WeakPolarHBondContact OD2-CA 3.38Å; D170-S208 WeakPolarHBondContact OD2-CB 3.44Å; D170-S208 PolarHBondContact OD2-N 3.47Å; D170-S208 PolarHBondContact OD2-OG 2.96Å; D170-F211 HydrophobicContact CB-CD2 4.39Å; D170-F211 HydrophobicContact CB-CE2 4.48Å; D170-F211 WeakPolarHBondContact OD2-CD2 3.25Å |
| 171 | I | 79.9 | Confident | 81 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | trans | -118.1 | 152.5 | 162.6 | -66.5 | 175.7 | 0 | 0 | 0 | 107.5 | Q38 E39 N40 D173 M300 | Q38-I171 HydrophobicContact CG-CD1 3.99Å; Q38-I171 HydrophobicContact CG-CG1 3.92Å; E39-I171 HydrophobicContact CG-CB 4.21Å; E39-I171 HydrophobicContact CG-CD1 3.95Å; E39-I171 HydrophobicContact CG-CG1 3.91Å; E39-I171 WeakPolarHBondContact O-CD1 3.25Å; E39-I171 PolarHBondContact OE1-N 3.48Å; N40-I171 HydrophobicContact CB-CD1 4.09Å; I171-D173 HydrophobicContact CB-CB 4.44Å; I171-D173 HydrophobicContact CG2-CB 4.08Å; I171-D173 PolarHBondContact O-N 2.82Å; I171-M300 HydrophobicContact CD1-CE 4.11Å; I171-M300 HydrophobicContact CG2-CE 4.49Å | ||
| 172 | N | 84.6 | Confident | 81 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -78.2 | 69.2 | 176.7 | -164.1 | 123 | 0 | 0 | 0 | 109.7 | D207 F211 D287 G289 | N172-D207 VanDerWaalsContact C-OD2 3.25Å; N172-D207 WeakPolarHBondContact CA-OD2 3.34Å; N172-F211 HydrophobicContact CB-CB 4.23Å; N172-F211 HydrophobicContact CB-CD1 3.91Å; N172-F211 HydrophobicContact CB-CD2 3.66Å; N172-F211 HydrophobicContact CB-CE1 4.15Å; N172-F211 HydrophobicContact CB-CE2 3.95Å; N172-F211 HydrophobicContact CB-CG 3.68Å; N172-F211 HydrophobicContact CB-CZ 4.19Å; N172-F211 VanDerWaalsContact N-CD2 3.34Å; N172-F211 WeakPolarHBondContact OD1-CB 3.33Å; N172-F211 VanDerWaalsContact OD1-CD1 3.22Å; N172-F211 WeakPolarHBondContact OD1-CD1 3.38Å; N172-F211 WeakPolarHBondContact OD1-CG 3.45Å; N172-D287 PolarHBondContact ND2-OD2 3.38Å; N172-G289 WeakPolarHBondContact OD1-CA 3.47Å; N172-G289 PolarHBondContact OD1-N 3.09Å; N172-G289 VanDerWaalsContact OD1-N 3.13Å |
| 173 | D | 84.3 | Confident | 80.9 | Confident | 78 Ų | 78 | 51 Ų | 51 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | trans | -107 | -17.3 | -167.7 | 122.7 | -18.4 | 0 | 0 | 0 | 114.1 | N40 I171 D207 | N40-D173 PolarHBondContact ND2-OD2 2.87Å; I171-D173 HydrophobicContact CB-CB 4.44Å; I171-D173 HydrophobicContact CG2-CB 4.08Å; I171-D173 PolarHBondContact O-N 2.82Å; D173-D207 PolarHBondContact N-OD2 3.08Å | ||
| 174 | N | 85.9 | Confident | 80.8 | Confident | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -101.3 | 133.3 | 170.2 | -64.4 | -87.2 | 0 | 0 | 0 | 112.2 | A206 D207 | N174-A206 HydrophobicContact CB-CB 3.97Å; N174-D207 WeakPolarHBondContact CB-OD1 3.34Å; N174-D207 PolarHBondContact N-OD1 3.16Å; N174-D207 VanDerWaalsContact N-OD1 3.15Å; N174-D207 PolarHBondContact N-OD2 3.33Å; N174-D207 VanDerWaalsContact N-OD2 3.09Å; N174-D207 PolarHBondContact ND2-OD1 3.23Å |
| 175 | P | 89.1 | Confident | 81 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 31% | 0.312 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 148.6 | 171.4 | 32 | -33.8 | 0 | 0 | 0 | 111.2 | R177 L304 | P175-R177 WeakPolarHBondContact O-CG 3.22Å; P175-R177 PolarHBondContact O-N 2.76Å; P175-L304 HydrophobicContact CB-CB 3.89Å; P175-L304 HydrophobicContact CB-CD1 4.17Å |
| 176 | P | 92 | Very high | 81.6 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 137.6 | 173.2 | -26.4 | 30 | 0 | 0 | 0 | 112.4 | A203 D205 V213 A285 D287 G306 | P176-A203 HydrophobicContact CB-CB 4.32Å; P176-D205 VanDerWaalsContact CA-OD2 3.25Å; P176-D205 WeakPolarHBondContact CA-OD2 3.46Å; P176-D205 WeakPolarHBondContact CD-OD2 3.26Å; P176-D205 WeakPolarHBondContact CG-OD2 3.22Å; P176-D205 VanDerWaalsContact N-OD2 3.08Å; P176-V213 HydrophobicContact CB-CG2 4.06Å; P176-V213 HydrophobicContact CG-CG2 4.39Å; P176-A285 HydrophobicContact CB-CB 3.71Å; P176-A285 HydrophobicContact CG-CB 4.42Å; P176-D287 HydrophobicContact CG-CB 3.97Å; P176-G306 WeakPolarHBondContact O-CA 3.43Å; P176-G306 PolarHBondContact O-N 3.03Å |
| 177 | R | 91.3 | Very high | 82 | Confident | 144 Ų | 144 | 64.3 Ų | 64.3 | 54% | 0.543 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -125.7 | 125.8 | -178.2 | -49.2 | -165 | -171.3 | -171.7 | 8 | 112.1 | P175 A203 S204 | P175-R177 WeakPolarHBondContact O-CG 3.22Å; P175-R177 PolarHBondContact O-N 2.76Å; R177-A203 CarbonylContact O-C 3.41Å; R177-A203 VanDerWaalsContact O-CA 3.3Å; R177-A203 WeakPolarHBondContact O-CA 3.03Å; R177-S204 PolarHBondContact N-O 3.41Å; R177-S204 PolarHBondContact O-N 2.55Å; R177-S204 PolarHBondContact O-OG 2.8Å |
| 178 | F | 90.1 | Very high | 82.7 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 145.7 | 170 | -69.7 | -79.1 | 0 | 0 | 0 | 111.2 | P201 A203 Y216 L283 A285 V308 | F178-P201 HydrophobicContact CD1-CB 4.16Å; F178-P201 HydrophobicContact CD1-CG 4.14Å; F178-P201 WeakPolarHBondContact CE1-O 3.35Å; F178-A203 HydrophobicContact CD1-CB 3.85Å; F178-A203 HydrophobicContact CD2-CB 4.42Å; F178-A203 HydrophobicContact CE1-CB 3.79Å; F178-A203 HydrophobicContact CE2-CB 4.35Å; F178-A203 HydrophobicContact CG-CB 4.18Å; F178-A203 HydrophobicContact CZ-CB 4.05Å; F178-Y216 HydrophobicContact CE1-CD1 4.33Å; F178-Y216 AromaticContact CE1-CE1 3.82Å; F178-Y216 HydrophobicContact CE1-CE1 3.82Å; F178-Y216 HydrophobicContact CZ-CD1 4.17Å; F178-Y216 AromaticContact CZ-CE1 3.99Å; F178-Y216 HydrophobicContact CZ-CE1 3.99Å; F178-L283 HydrophobicContact CE1-CD2 3.59Å; F178-L283 HydrophobicContact CE1-CG 4.09Å; F178-L283 HydrophobicContact CZ-CB 4.48Å; F178-L283 HydrophobicContact CZ-CD2 3.85Å; F178-L283 HydrophobicContact CZ-CG 3.79Å; F178-A285 HydrophobicContact CE1-CB 4.42Å; F178-A285 HydrophobicContact CE2-CB 3.79Å; F178-A285 HydrophobicContact CZ-CB 3.59Å; F178-V308 HydrophobicContact CB-CB 4.01Å; F178-V308 HydrophobicContact CB-CG1 4.13Å; F178-V308 HydrophobicContact CD1-CB 4.49Å; F178-V308 HydrophobicContact CD1-CG1 3.72Å; F178-V308 HydrophobicContact CD2-CB 3.76Å; F178-V308 HydrophobicContact CD2-CG1 3.62Å; F178-V308 HydrophobicContact CE1-CG1 3.94Å; F178-V308 HydrophobicContact CE2-CB 4.34Å; F178-V308 HydrophobicContact CE2-CG1 3.85Å; F178-V308 HydrophobicContact CG-CB 3.84Å; F178-V308 HydrophobicContact CG-CG1 3.54Å; F178-V308 HydrophobicContact CZ-CG1 4.01Å |
| 179 | P | 85.9 | Confident | 83.2 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 152.7 | 171.2 | 29.4 | -35.8 | 0 | 0 | 0 | 111.3 | L181 P201 Q202 | P179-L181 PolarHBondContact O-N 3.42Å; P179-P201 HydrophobicContact CG-CB 4.3Å; P179-Q202 WeakPolarHBondContact CD-O 3.5Å |
| 180 | P | 80.9 | Confident | 83.9 | Confident | 111 Ų | 111 | 65.8 Ų | 65.8 | 72% | 0.721 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 122.1 | 177.9 | 27.4 | -34.3 | 0 | 0 | 0 | 111.3 | H182 | P180-H182 PolarHBondContact O-N 2.74Å; P180-H182 PolarHBondContact O-ND1 2.72Å |
| 181 | L | 78.2 | Confident | 84.4 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 129.5 | 178.3 | -66.2 | 178.1 | 0 | 0 | 0 | 111.5 | P179 P201 V308 I310 | P179-L181 PolarHBondContact O-N 3.42Å; L181-P201 HydrophobicContact CD2-CB 4.25Å; L181-P201 HydrophobicContact CD2-CG 4.1Å; L181-V308 HydrophobicContact CD1-CG2 3.78Å; L181-V308 HydrophobicContact CG-CG2 4.12Å; L181-I310 HydrophobicContact CD1-CD1 4.42Å |
| 182 | H | 70.8 | Confident | 84.8 | Confident | 187 Ų | 187 | 70.5 Ų | 70.5 | 87% | 0.866 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -82.4 | -23.8 | 177 | -64.1 | -14.9 | 0 | 0 | 0 | 113.3 | P180 | P180-H182 PolarHBondContact O-N 2.74Å; P180-H182 PolarHBondContact O-ND1 2.72Å |
| 183 | T | 68.9 | Low | 84.9 | Confident | 87 Ų | 87 | 77.5 Ų | 77.5 | 53% | 0.534 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -117.9 | 142 | 170.6 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | Y185 | T183-Y185 WeakPolarHBondContact CB-O 3.34Å; T183-Y185 PolarHBondContact O-N 3.31Å; T183-Y185 PolarHBondContact OG1-O 3.3Å |
| 184 | P | 71.4 | Confident | 84.9 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 62% | 0.617 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -75 | -5.8 | 177.7 | 29.6 | -33.3 | 0 | 0 | 0 | 113.4 | ||
| 185 | Y | 81.8 | Confident | 84.7 | Confident | 117 Ų | 117 | 83.2 Ų | 83.2 | 46% | 0.459 | 42% | 0.424 | S | S | . | . | trans | -151.4 | 162 | 177 | 51.2 | -101.8 | 0 | 0 | 0 | 111.8 | T183 V187 I311 | T183-Y185 WeakPolarHBondContact CB-O 3.34Å; T183-Y185 PolarHBondContact O-N 3.31Å; T183-Y185 PolarHBondContact OG1-O 3.3Å; Y185-V187 HydrophobicContact CD2-CG2 3.55Å; Y185-V187 HydrophobicContact CE2-CG2 3.54Å; Y185-I311 CarbonylContact C-O 3.52Å; Y185-I311 WeakPolarHBondContact CA-O 3Å | ||
| 186 | I | 87.5 | Confident | 84.5 | Confident | 47 Ų | 47 | 85.4 Ų | 85.4 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 143.4 | 164.8 | -57.8 | 172.1 | 0 | 0 | 0 | 107.2 | I188 I198 L200 I310 I311 I312 K313 | I186-I188 HydrophobicContact CG2-CD1 3.84Å; I186-I188 HydrophobicContact CG2-CG1 4.25Å; I186-I198 HydrophobicContact CD1-CG2 4.38Å; I186-I198 HydrophobicContact CG2-CG2 4.31Å; I186-L200 HydrophobicContact CD1-CD2 4.04Å; I186-I310 HydrophobicContact CD1-CG2 4.08Å; I186-I311 PolarHBondContact N-O 2.91Å; I186-I312 HydrophobicContact CB-CG1 4.14Å; I186-I312 HydrophobicContact CD1-CG1 4.46Å; I186-I312 WeakPolarHBondContact O-CA 3.13Å; I186-K313 PolarHBondContact O-N 3.02Å |
| 187 | V | 88.4 | Confident | 84.3 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.1 | 176 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | Y185 K313 | Y185-V187 HydrophobicContact CD2-CG2 3.55Å; Y185-V187 HydrophobicContact CE2-CG2 3.54Å; V187-K313 WeakPolarHBondContact CA-O 3.28Å |
| 188 | I | 90 | Very high | 84.1 | Confident | 12 Ų | 12 | 83 Ų | 83 | 6% | 0.062 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138 | -176.2 | -77.2 | 143.7 | 0 | 0 | 0 | 108.5 | I186 I192 I198 L271 I312 K313 I314 S315 | I186-I188 HydrophobicContact CG2-CD1 3.84Å; I186-I188 HydrophobicContact CG2-CG1 4.25Å; I188-I192 HydrophobicContact CG1-CD1 4.5Å; I188-I192 HydrophobicContact CG2-CB 4.19Å; I188-I192 HydrophobicContact CG2-CD1 3.77Å; I188-I192 HydrophobicContact CG2-CG2 3.82Å; I188-I198 HydrophobicContact CD1-CB 4.46Å; I188-I198 HydrophobicContact CD1-CD1 3.5Å; I188-I198 VanDerWaalsContact CD1-CD1 3.5Å; I188-I198 HydrophobicContact CD1-CG1 3.76Å; I188-I198 HydrophobicContact CD1-CG2 3.84Å; I188-I198 HydrophobicContact CG1-CD1 4.28Å; I188-I198 HydrophobicContact CG1-CG1 4.25Å; I188-L271 HydrophobicContact CG2-CD1 3.95Å; I188-I312 HydrophobicContact CD1-CB 4.5Å; I188-I312 HydrophobicContact CD1-CD1 4.18Å; I188-I312 HydrophobicContact CD1-CG1 4.08Å; I188-I312 HydrophobicContact CD1-CG2 3.7Å; I188-K313 PolarHBondContact N-O 3.38Å; I188-K313 VanDerWaalsContact N-O 3.09Å; I188-I314 HydrophobicContact CG2-CD1 4.46Å; I188-I314 CarbonylContact O-C 3.57Å; I188-I314 VanDerWaalsContact O-CA 3.28Å; I188-I314 WeakPolarHBondContact O-CA 3.39Å; I188-S315 PolarHBondContact O-N 2.75Å; I188-S315 PolarHBondContact O-OG 2.83Å |
| 189 | R | 90.8 | Very high | 84.1 | Confident | 121 Ų | 121 | 86.7 Ų | 86.7 | 46% | 0.457 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 151.8 | 172.3 | -65.4 | 166.7 | 57.3 | 91.9 | -2.9 | 110.6 | D191 I192 S315 V317 | R189-D191 WeakPolarHBondContact CB-OD1 2.99Å; R189-D191 IonicContact CZ-OD1 2.85Å; R189-D191 IonicContact CZ-OD2 2.67Å; R189-D191 IonicContact NE-OD1 2.74Å; R189-D191 PolarHBondContact NE-OD1 3.32Å; R189-D191 IonicContact NE-OD2 2.65Å; R189-D191 VanDerWaalsContact NH2-CG 3.32Å; R189-D191 IonicContact NH2-OD1 3.83Å; R189-D191 PolarHBondContact NH2-OD1 2.69Å; R189-D191 IonicContact NH2-OD2 2.65Å; R189-D191 PolarHBondContact NH2-OD2 2.8Å; R189-I192 VanDerWaalsContact O-CB 3.27Å; R189-I192 WeakPolarHBondContact O-CB 3.15Å; R189-I192 WeakPolarHBondContact O-CG2 3.31Å; R189-I192 PolarHBondContact O-N 2.85Å; R189-S315 WeakPolarHBondContact CA-O 3.48Å; R189-S315 WeakPolarHBondContact CA-OG 3.3Å; R189-S315 WeakPolarHBondContact CG-OG 3.09Å; R189-S315 PolarHBondContact N-OG 2.69Å; R189-V317 HydrophobicContact CB-CG2 4.2Å |
| 190 | E | 90.7 | Very high | 84.3 | Confident | 12 Ų | 12 | 83.6 Ų | 83.6 | 6% | 0.056 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -31.1 | 175.1 | 63.7 | -139.2 | 111.1 | 0 | 0 | 113.8 | I192 L271 R273 I314 D316 V317 | E190-I192 PolarHBondContact O-N 3.42Å; E190-L271 HydrophobicContact CB-CB 4.11Å; E190-R273 WeakPolarHBondContact OE2-CA 3.09Å; E190-R273 WeakPolarHBondContact OE2-CB 3.36Å; E190-R273 PolarHBondContact OE2-N 3.04Å; E190-I314 HydrophobicContact CB-CG2 3.79Å; E190-D316 VanDerWaalsContact OE1-C 3.31Å; E190-D316 WeakPolarHBondContact OE1-CA 3.46Å; E190-V317 HydrophobicContact CG-CB 4.01Å; E190-V317 HydrophobicContact CG-CG2 3.92Å; E190-V317 PolarHBondContact OE1-N 3.24Å |
| 191 | D | 89.7 | Confident | 84.6 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 13.2 | 172.1 | 78.3 | -21.3 | 0 | 0 | 0 | 114.5 | R189 V317 | R189-D191 WeakPolarHBondContact CB-OD1 2.99Å; R189-D191 IonicContact CZ-OD1 2.85Å; R189-D191 IonicContact CZ-OD2 2.67Å; R189-D191 IonicContact NE-OD1 2.74Å; R189-D191 PolarHBondContact NE-OD1 3.32Å; R189-D191 IonicContact NE-OD2 2.65Å; R189-D191 VanDerWaalsContact NH2-CG 3.32Å; R189-D191 IonicContact NH2-OD1 3.83Å; R189-D191 PolarHBondContact NH2-OD1 2.69Å; R189-D191 IonicContact NH2-OD2 2.65Å; R189-D191 PolarHBondContact NH2-OD2 2.8Å; D191-V317 HydrophobicContact CB-CG1 4.31Å; D191-V317 HydrophobicContact CB-CG2 4.18Å |
| 192 | I | 89.1 | Confident | 85.2 | Confident | 34 Ų | 34 | 79 Ų | 79 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.7 | 173.3 | -165.2 | 164 | 0 | 0 | 0 | 110.7 | I188 R189 E190 E196 I267 L271 | I188-I192 HydrophobicContact CG1-CD1 4.5Å; I188-I192 HydrophobicContact CG2-CB 4.19Å; I188-I192 HydrophobicContact CG2-CD1 3.77Å; I188-I192 HydrophobicContact CG2-CG2 3.82Å; R189-I192 VanDerWaalsContact O-CB 3.27Å; R189-I192 WeakPolarHBondContact O-CB 3.15Å; R189-I192 WeakPolarHBondContact O-CG2 3.31Å; R189-I192 PolarHBondContact O-N 2.85Å; E190-I192 PolarHBondContact O-N 3.42Å; I192-E196 HydrophobicContact CD1-CB 4.33Å; I192-E196 HydrophobicContact CD1-CG 4.26Å; I192-E196 HydrophobicContact CG1-CB 4.04Å; I192-E196 HydrophobicContact CG1-CG 4.21Å; I192-I267 HydrophobicContact CD1-CD1 3.78Å; I192-I267 HydrophobicContact CG1-CD1 3.92Å; I192-I267 HydrophobicContact CG2-CD1 3.82Å; I192-I267 HydrophobicContact CG2-CG1 3.95Å; I192-L271 HydrophobicContact CG2-CD1 3.8Å; I192-L271 HydrophobicContact CG2-CG 4.48Å |
| 193 | K | 86.2 | Confident | 86.1 | Confident | 155 Ų | 155 | 70.4 Ų | 70.4 | 67% | 0.674 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 145.7 | -173.6 | -68.3 | 168.9 | -174.2 | 164.7 | 0 | 111.4 | E196 | K193-E196 WeakPolarHBondContact O-CB 3.41Å; K193-E196 PolarHBondContact O-N 3.36Å |
| 194 | L | 84 | Confident | 87 | Confident | 104 Ų | 104 | 70 Ų | 70 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 144.8 | 164.1 | -62.9 | 172.4 | 0 | 0 | 0 | 109.9 | E196 I267 | L194-E196 PolarHBondContact O-N 3.47Å; L194-I267 HydrophobicContact CD2-CG2 4.27Å |
| 195 | D | 81.8 | Confident | 87.8 | Confident | 124 Ų | 124 | 66.7 Ų | 66.7 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 5.3 | -174.6 | -61 | -51.1 | 0 | 0 | 0 | 116.8 | I267 | D195-I267 PolarHBondContact N-O 2.91Š|
| 196 | E | 84.7 | Confident | 87.9 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | trans | -69.3 | 136.9 | 175.5 | -162.6 | 166.8 | 147.9 | 0 | 0 | 111.9 | I192 K193 L194 T266 I267 | I192-E196 HydrophobicContact CD1-CB 4.33Å; I192-E196 HydrophobicContact CD1-CG 4.26Å; I192-E196 HydrophobicContact CG1-CB 4.04Å; I192-E196 HydrophobicContact CG1-CG 4.21Å; K193-E196 WeakPolarHBondContact O-CB 3.41Å; K193-E196 PolarHBondContact O-N 3.36Å; L194-E196 PolarHBondContact O-N 3.47Å; E196-T266 WeakPolarHBondContact O-CA 3.46Å; E196-I267 HydrophobicContact CB-CD1 4.07Å; E196-I267 WeakPolarHBondContact O-CD1 3.14Å | ||
| 197 | K | 87.8 | Confident | 87.8 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 107.5 | -171 | -68.2 | -175.2 | -178.7 | 175.6 | 0 | 112.7 | W199 D238 Y264 L265 T266 | K197-W199 HydrophobicContact CD-CH2 4.34Å; K197-W199 HydrophobicContact CD-CZ2 4.12Å; K197-W199 PolarHBondContact O-N 3.02Å; K197-D238 IonicContact NZ-OD2 3.53Å; K197-Y264 HydrophobicContact CB-CD2 4.34Å; K197-Y264 HydrophobicContact CB-CG 4.43Å; K197-Y264 HydrophobicContact CD-CD1 4.35Å; K197-Y264 HydrophobicContact CD-CD2 4.28Å; K197-Y264 HydrophobicContact CD-CE1 4.31Å; K197-Y264 HydrophobicContact CD-CE2 4.27Å; K197-Y264 HydrophobicContact CD-CG 4.35Å; K197-Y264 HydrophobicContact CG-CD2 3.96Å; K197-Y264 HydrophobicContact CG-CE2 4.17Å; K197-Y264 HydrophobicContact CG-CG 4.34Å; K197-L265 WeakPolarHBondContact CA-O 3.43Å; K197-T266 HydrophobicContact CG-CG2 4.08Å |
| 198 | I | 88.5 | Confident | 87.2 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 102.5 | 171.3 | -59.2 | 156.7 | 0 | 0 | 0 | 109.2 | I186 I188 F229 Y264 L265 I267 | I186-I198 HydrophobicContact CD1-CG2 4.38Å; I186-I198 HydrophobicContact CG2-CG2 4.31Å; I188-I198 HydrophobicContact CD1-CB 4.46Å; I188-I198 HydrophobicContact CD1-CD1 3.5Å; I188-I198 VanDerWaalsContact CD1-CD1 3.5Å; I188-I198 HydrophobicContact CD1-CG1 3.76Å; I188-I198 HydrophobicContact CD1-CG2 3.84Å; I188-I198 HydrophobicContact CG1-CD1 4.28Å; I188-I198 HydrophobicContact CG1-CG1 4.25Å; I198-F229 HydrophobicContact CD1-CD1 4.06Å; I198-F229 HydrophobicContact CD1-CE1 3.61Å; I198-Y264 CarbonylContact O-C 3.59Å; I198-Y264 WeakPolarHBondContact O-CA 3.12Å; I198-Y264 WeakPolarHBondContact O-CB 3.45Å; I198-L265 HydrophobicContact CB-CB 4.22Å; I198-L265 HydrophobicContact CD1-CB 4.32Å; I198-L265 PolarHBondContact N-O 2.89Å; I198-L265 PolarHBondContact O-N 2.86Å; I198-I267 HydrophobicContact CD1-CD1 3.78Å; I198-I267 HydrophobicContact CD1-CG1 4.06Å; I198-I267 HydrophobicContact CG1-CD1 4.22Å |
| 199 | W | 89 | Confident | 86.5 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 129.5 | -178.5 | -64.8 | 104.8 | 0 | 0 | 0 | 113.5 | K197 K262 Y264 | K197-W199 HydrophobicContact CD-CH2 4.34Å; K197-W199 HydrophobicContact CD-CZ2 4.12Å; K197-W199 PolarHBondContact O-N 3.02Å; W199-K262 HydrophobicContact CD2-CD 4.4Å; W199-K262 HydrophobicContact CE3-CB 4.19Å; W199-K262 HydrophobicContact CE3-CD 3.79Å; W199-K262 HydrophobicContact CE3-CG 3.92Å; W199-K262 HydrophobicContact CZ3-CB 4.09Å; W199-K262 HydrophobicContact CZ3-CD 4.37Å; W199-K262 HydrophobicContact CZ3-CG 4.34Å; W199-Y264 HydrophobicContact CE3-CD1 4.17Å; W199-Y264 HydrophobicContact CE3-CG 4.48Å; W199-Y264 HydrophobicContact CH2-CD1 4.19Å; W199-Y264 AromaticContact CZ3-CD1 3.67Å; W199-Y264 HydrophobicContact CZ3-CD1 3.67Å; W199-Y264 HydrophobicContact CZ3-CG 4.38Å |
| 200 | L | 89.8 | Confident | 85.8 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 164.2 | 177.6 | -65.5 | -176.6 | 0 | 0 | 0 | 111.4 | I186 L231 K262 P263 L265 F281 L283 I310 | I186-L200 HydrophobicContact CD1-CD2 4.04Å; L200-L231 HydrophobicContact CD1-CD1 3.79Å; L200-K262 WeakPolarHBondContact O-CE 3.09Å; L200-P263 HydrophobicContact CB-CB 4.14Å; L200-P263 HydrophobicContact CB-CG 3.93Å; L200-P263 WeakPolarHBondContact CB-O 3.22Å; L200-P263 PolarHBondContact N-O 3.2Å; L200-L265 HydrophobicContact CD1-CD2 4.01Å; L200-L265 HydrophobicContact CD1-CG 4.01Å; L200-L265 HydrophobicContact CD2-CG 4.49Å; L200-L265 HydrophobicContact CG-CG 4.4Å; L200-F281 HydrophobicContact CD1-CE2 4.42Å; L200-F281 HydrophobicContact CD1-CZ 4.18Å; L200-F281 HydrophobicContact CD2-CZ 4.22Å; L200-L283 HydrophobicContact CB-CD2 4.07Å; L200-L283 HydrophobicContact CD1-CD1 4.05Å; L200-L283 HydrophobicContact CD1-CD2 4.09Å; L200-I310 HydrophobicContact CD2-CG1 4.43Å; L200-I310 HydrophobicContact CD2-CG2 4.1Å |
| 201 | P | 88.2 | Confident | 85.5 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 135.4 | 171.6 | 28.5 | -37.5 | 0 | 0 | 0 | 111 | F178 P179 L181 P263 L283 V308 I310 | F178-P201 HydrophobicContact CD1-CB 4.16Å; F178-P201 HydrophobicContact CD1-CG 4.14Å; F178-P201 WeakPolarHBondContact CE1-O 3.35Å; P179-P201 HydrophobicContact CG-CB 4.3Å; L181-P201 HydrophobicContact CD2-CB 4.25Å; L181-P201 HydrophobicContact CD2-CG 4.1Å; P201-P263 VanDerWaalsContact O-CG 3.25Å; P201-P263 WeakPolarHBondContact O-CG 3.05Å; P201-L283 HydrophobicContact CG-CD2 4.15Å; P201-V308 HydrophobicContact CG-CG1 3.99Å; P201-I310 HydrophobicContact CG-CD1 3.82Å |
| 202 | Q | 90 | Very high | 85.3 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 139.3 | 170.8 | -162.8 | 176.8 | 5.9 | 0 | 0 | 109 | P179 Y216 L260 K262 | P179-Q202 WeakPolarHBondContact CD-O 3.5Å; Q202-Y216 VanDerWaalsContact CG-OH 3.28Å; Q202-Y216 WeakPolarHBondContact CG-OH 3.45Å; Q202-L260 PolarHBondContact NE2-O 2.96Å; Q202-K262 HydrophobicContact CB-CG 4.36Å |
| 203 | A | 89.4 | Confident | 85.2 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 149.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | P176 R177 F178 V213 Y216 A285 | P176-A203 HydrophobicContact CB-CB 4.32Å; R177-A203 CarbonylContact O-C 3.41Å; R177-A203 VanDerWaalsContact O-CA 3.3Å; R177-A203 WeakPolarHBondContact O-CA 3.03Å; F178-A203 HydrophobicContact CD1-CB 3.85Å; F178-A203 HydrophobicContact CD2-CB 4.42Å; F178-A203 HydrophobicContact CE1-CB 3.79Å; F178-A203 HydrophobicContact CE2-CB 4.35Å; F178-A203 HydrophobicContact CG-CB 4.18Å; F178-A203 HydrophobicContact CZ-CB 4.05Å; A203-V213 HydrophobicContact CB-CG2 4.2Å; A203-Y216 HydrophobicContact CB-CE1 4.05Å; A203-Y216 PolarHBondContact N-OH 3.49Å; A203-Y216 PolarHBondContact O-OH 2.76Å; A203-A285 HydrophobicContact CB-CB 3.44Å; A203-A285 VanDerWaalsContact CB-CB 3.44Å |
| 204 | S | 88.1 | Confident | 85.2 | Confident | 77 Ų | 77 | 51.7 Ų | 51.7 | 54% | 0.538 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -112.6 | 135.1 | 169.1 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | R177 | R177-S204 PolarHBondContact N-O 3.41Å; R177-S204 PolarHBondContact O-N 2.55Å; R177-S204 PolarHBondContact O-OG 2.8Å |
| 205 | D | 88.4 | Confident | 85.4 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | trans | -98.1 | 165.2 | 161.9 | -133.4 | -57.1 | 0 | 0 | 0 | 112 | P176 D207 V213 | P176-D205 VanDerWaalsContact CA-OD2 3.25Å; P176-D205 WeakPolarHBondContact CA-OD2 3.46Å; P176-D205 WeakPolarHBondContact CD-OD2 3.26Å; P176-D205 WeakPolarHBondContact CG-OD2 3.22Å; P176-D205 VanDerWaalsContact N-OD2 3.08Å; D205-D207 PolarHBondContact OD1-N 3.46Å; D205-V213 HydrophobicContact CB-CG2 4.13Å | ||
| 206 | A | 84.3 | Confident | 85.9 | Confident | 48 Ų | 48 | 45.3 Ų | 45.3 | 40% | 0.397 | 24% | 0.241 | S | C | . | . | trans | -104.8 | -24.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R106 E107 N174 | R106-A206 PolarHBondContact NH2-O 3.49Å; E107-A206 HydrophobicContact CG-CB 4.32Å; N174-A206 HydrophobicContact CB-CB 3.97Å | ||
| 207 | D | 84.3 | Confident | 86.2 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -68 | 175.1 | -178 | -63.9 | -3.3 | 0 | 0 | 0 | 112.1 | N172 D173 N174 D205 F211 | N172-D207 VanDerWaalsContact C-OD2 3.25Å; N172-D207 WeakPolarHBondContact CA-OD2 3.34Å; D173-D207 PolarHBondContact N-OD2 3.08Å; N174-D207 WeakPolarHBondContact CB-OD1 3.34Å; N174-D207 PolarHBondContact N-OD1 3.16Å; N174-D207 VanDerWaalsContact N-OD1 3.15Å; N174-D207 PolarHBondContact N-OD2 3.33Å; N174-D207 VanDerWaalsContact N-OD2 3.09Å; N174-D207 PolarHBondContact ND2-OD1 3.23Å; D205-D207 PolarHBondContact OD1-N 3.46Å; D207-F211 HydrophobicContact CB-CB 3.71Å |
| 208 | S | 76.4 | Confident | 86.3 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | trans | -70.4 | 168.7 | -178 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | D170 Q210 F211 N212 | D170-S208 WeakPolarHBondContact CB-OG 3.39Å; D170-S208 VanDerWaalsContact CG-CB 3.42Å; D170-S208 PolarHBondContact OD1-N 2.9Å; D170-S208 VanDerWaalsContact OD1-N 3.16Å; D170-S208 WeakPolarHBondContact OD2-CA 3.38Å; D170-S208 WeakPolarHBondContact OD2-CB 3.44Å; D170-S208 PolarHBondContact OD2-N 3.47Å; D170-S208 PolarHBondContact OD2-OG 2.96Å; S208-Q210 PolarHBondContact O-N 3.18Å; S208-Q210 WeakPolarHBondContact OG-CG 3.17Å; S208-F211 CarbonylContact O-C 3.55Å; S208-F211 WeakPolarHBondContact O-CA 3.46Å; S208-F211 PolarHBondContact O-N 2.81Å; S208-N212 PolarHBondContact O-N 3.1Å | ||
| 209 | D | 74.6 | Confident | 86.3 | Confident | 87 Ų | 87 | 46.1 Ų | 46.1 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -15.4 | -176.9 | -61.3 | -58.6 | 0 | 0 | 0 | 115.5 | H259 | D209-H259 IonicContact OD1-CE1 3.38Å; D209-H259 PolarHBondContact OD1-CE1 2.98Å; D209-H259 IonicContact OD1-ND1 3.33Å; D209-H259 PolarHBondContact OD1-ND1 2.87Å |
| 210 | Q | 76.2 | Confident | 86.2 | Confident | 107 Ų | 107 | 45.6 Ų | 45.6 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -18.9 | 172.5 | 52.8 | 164.6 | 32.2 | 0 | 0 | 114.1 | S208 G288 | S208-Q210 PolarHBondContact O-N 3.18Å; S208-Q210 WeakPolarHBondContact OG-CG 3.17Å; Q210-G288 WeakPolarHBondContact O-CA 3.5Å |
| 211 | F | 84.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 6.3 | 178.2 | -62.4 | -32.3 | 0 | 0 | 0 | 112.2 | D170 N172 D207 S208 D287 I292 | D170-F211 HydrophobicContact CB-CD2 4.39Å; D170-F211 HydrophobicContact CB-CE2 4.48Å; D170-F211 WeakPolarHBondContact OD2-CD2 3.25Å; N172-F211 HydrophobicContact CB-CB 4.23Å; N172-F211 HydrophobicContact CB-CD1 3.91Å; N172-F211 HydrophobicContact CB-CD2 3.66Å; N172-F211 HydrophobicContact CB-CE1 4.15Å; N172-F211 HydrophobicContact CB-CE2 3.95Å; N172-F211 HydrophobicContact CB-CG 3.68Å; N172-F211 HydrophobicContact CB-CZ 4.19Å; N172-F211 VanDerWaalsContact N-CD2 3.34Å; N172-F211 WeakPolarHBondContact OD1-CB 3.33Å; N172-F211 VanDerWaalsContact OD1-CD1 3.22Å; N172-F211 WeakPolarHBondContact OD1-CD1 3.38Å; N172-F211 WeakPolarHBondContact OD1-CG 3.45Å; D207-F211 HydrophobicContact CB-CB 3.71Å; S208-F211 CarbonylContact O-C 3.55Å; S208-F211 WeakPolarHBondContact O-CA 3.46Å; S208-F211 PolarHBondContact O-N 2.81Å; F211-D287 VanDerWaalsContact O-CB 3.3Å; F211-D287 WeakPolarHBondContact O-CB 3.2Å; F211-I292 HydrophobicContact CE1-CD1 3.59Å; F211-I292 HydrophobicContact CE1-CG1 4.48Å; F211-I292 HydrophobicContact CZ-CD1 3.81Å |
| 212 | N | 85.4 | Confident | 85.6 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -68.3 | 170.2 | 170.5 | -159.8 | -22.2 | 0 | 0 | 0 | 110.9 | S208 A214 H259 D287 G288 | S208-N212 PolarHBondContact O-N 3.1Å; N212-A214 PolarHBondContact O-N 2.73Å; N212-A214 VanDerWaalsContact O-N 3.09Å; N212-H259 PolarHBondContact ND2-ND1 2.81Å; N212-D287 CarbonylContact O-C 3.58Å; N212-G288 PolarHBondContact O-N 3.34Å |
| 213 | V | 87.1 | Confident | 84.5 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | trans | -56.1 | 115.7 | -177.2 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | P176 A203 D205 Y216 L260 A285 I286 | P176-V213 HydrophobicContact CB-CG2 4.06Å; P176-V213 HydrophobicContact CG-CG2 4.39Å; A203-V213 HydrophobicContact CB-CG2 4.2Å; D205-V213 HydrophobicContact CB-CG2 4.13Å; V213-Y216 HydrophobicContact CG1-CE1 4.31Å; V213-Y216 HydrophobicContact CG1-CE2 4.43Å; V213-L260 HydrophobicContact CG1-CD2 4.04Å; V213-L260 WeakPolarHBondContact O-CB 3.13Å; V213-A285 HydrophobicContact CG1-CB 3.86Å; V213-I286 CarbonylContact C-O 3.52Å | ||
| 214 | A | 86 | Confident | 83.6 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 44% | 0.438 | 30% | 0.301 | S | S | . | . | trans | -105.5 | -25.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N212 I286 D287 | N212-A214 PolarHBondContact O-N 2.73Å; N212-A214 VanDerWaalsContact O-N 3.09Å; A214-I286 PolarHBondContact N-O 3.45Å; A214-D287 WeakPolarHBondContact CB-O 3.49Å | ||
| 215 | E | 88.7 | Confident | 83 | Confident | 80 Ų | 80 | 54.7 Ų | 54.7 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 144.4 | 178.8 | -161.9 | -174.8 | 159.5 | 0 | 0 | 113 | R217 I286 | E215-R217 HydrophobicContact CG-CG 4.29Å; E215-R217 VanDerWaalsContact OE1-CG 3.3Å; E215-R217 WeakPolarHBondContact OE1-CG 3.28Å; E215-R217 IonicContact OE1-CZ 2.82Å; E215-R217 IonicContact OE1-NE 3.01Å; E215-R217 PolarHBondContact OE1-NE 2.96Å; E215-R217 IonicContact OE1-NH2 3.14Å; E215-R217 PolarHBondContact OE1-NH2 2.9Å; E215-R217 IonicContact OE2-CZ 3.81Å; E215-R217 IonicContact OE2-NE 2.65Å; E215-R217 PolarHBondContact OE2-NE 2.88Å; E215-R217 IonicContact OE2-NH2 3.97Å; E215-R217 PolarHBondContact OE2-NH2 3.43Å; E215-I286 HydrophobicContact CB-CB 4.33Å; E215-I286 PolarHBondContact N-O 3.41Å; E215-I286 VanDerWaalsContact N-O 3.14Å; E215-I286 PolarHBondContact O-N 3.18Å |
| 216 | Y | 92.8 | Very high | 82.7 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.8 | 162.5 | -69.1 | -75.6 | 0 | 0 | 0 | 110.6 | F178 Q202 A203 V213 L231 V233 L260 G261 P263 L283 I284 A285 | F178-Y216 HydrophobicContact CE1-CD1 4.33Å; F178-Y216 AromaticContact CE1-CE1 3.82Å; F178-Y216 HydrophobicContact CE1-CE1 3.82Å; F178-Y216 HydrophobicContact CZ-CD1 4.17Å; F178-Y216 AromaticContact CZ-CE1 3.99Å; F178-Y216 HydrophobicContact CZ-CE1 3.99Å; Q202-Y216 VanDerWaalsContact CG-OH 3.28Å; Q202-Y216 WeakPolarHBondContact CG-OH 3.45Å; A203-Y216 HydrophobicContact CB-CE1 4.05Å; A203-Y216 PolarHBondContact N-OH 3.49Å; A203-Y216 PolarHBondContact O-OH 2.76Å; V213-Y216 HydrophobicContact CG1-CE1 4.31Å; V213-Y216 HydrophobicContact CG1-CE2 4.43Å; Y216-L231 WeakPolarHBondContact O-CD2 3.31Å; Y216-V233 HydrophobicContact CD2-CG2 4Å; Y216-L260 HydrophobicContact CD2-CD2 3.43Å; Y216-L260 VanDerWaalsContact CD2-CD2 3.43Å; Y216-L260 HydrophobicContact CD2-CG 4.1Å; Y216-L260 HydrophobicContact CE2-CD2 3.45Å; Y216-L260 VanDerWaalsContact CE2-CD2 3.45Å; Y216-L260 HydrophobicContact CE2-CG 3.87Å; Y216-L260 HydrophobicContact CG-CD2 4.38Å; Y216-G261 WeakPolarHBondContact CE2-O 3.46Å; Y216-P263 HydrophobicContact CD1-CB 4.36Å; Y216-P263 HydrophobicContact CD1-CG 4.08Å; Y216-P263 HydrophobicContact CD2-CB 3.87Å; Y216-P263 HydrophobicContact CD2-CG 4.07Å; Y216-P263 HydrophobicContact CE1-CG 3.93Å; Y216-P263 HydrophobicContact CE2-CB 4.19Å; Y216-P263 HydrophobicContact CE2-CG 3.94Å; Y216-P263 HydrophobicContact CG-CB 3.98Å; Y216-P263 HydrophobicContact CG-CG 4.15Å; Y216-L283 HydrophobicContact CD1-CD1 4.42Å; Y216-I284 CarbonylContact C-O 3.57Å; Y216-I284 VanDerWaalsContact CA-O 3.29Å; Y216-I284 WeakPolarHBondContact CA-O 3.47Å; Y216-A285 HydrophobicContact CD1-CB 4.04Å; Y216-A285 HydrophobicContact CE1-CB 3.82Å |
| 217 | R | 91.2 | Very high | 82.7 | Confident | 119 Ų | 119 | 59.3 Ų | 59.3 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.5 | 173.3 | -62.8 | -171.9 | -176.6 | 151.5 | 10.2 | 111.3 | E215 I219 I284 I286 | E215-R217 HydrophobicContact CG-CG 4.29Å; E215-R217 VanDerWaalsContact OE1-CG 3.3Å; E215-R217 WeakPolarHBondContact OE1-CG 3.28Å; E215-R217 IonicContact OE1-CZ 2.82Å; E215-R217 IonicContact OE1-NE 3.01Å; E215-R217 PolarHBondContact OE1-NE 2.96Å; E215-R217 IonicContact OE1-NH2 3.14Å; E215-R217 PolarHBondContact OE1-NH2 2.9Å; E215-R217 IonicContact OE2-CZ 3.81Å; E215-R217 IonicContact OE2-NE 2.65Å; E215-R217 PolarHBondContact OE2-NE 2.88Å; E215-R217 IonicContact OE2-NH2 3.97Å; E215-R217 PolarHBondContact OE2-NH2 3.43Å; R217-I219 HydrophobicContact CB-CG2 4.28Å; R217-I284 PolarHBondContact N-O 2.94Å; R217-I284 PolarHBondContact O-N 3.4Å; R217-I286 HydrophobicContact CG-CD1 4.18Å; R217-I286 VanDerWaalsContact CZ-CD1 3.45Å |
| 218 | A | 90 | Very high | 82.9 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | W221 L231 F281 | A218-W221 HydrophobicContact CB-CZ2 4.02Å; A218-L231 HydrophobicContact CB-CD2 4.26Å; A218-F281 HydrophobicContact CB-CD2 3.68Å; A218-F281 HydrophobicContact CB-CE2 3.85Å |
| 219 | I | 88.1 | Confident | 83.5 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 34% | 0.338 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 178.7 | 179.9 | 72.1 | 158.8 | 0 | 0 | 0 | 111 | R217 W221 T282 I284 | R217-I219 HydrophobicContact CB-CG2 4.28Å; I219-W221 PolarHBondContact O-N 3Å; I219-T282 PolarHBondContact N-O 3.23Å; I219-T282 PolarHBondContact O-N 3.1Å; I219-I284 HydrophobicContact CD1-CD1 3.45Å; I219-I284 VanDerWaalsContact CD1-CD1 3.45Å; I219-I284 HydrophobicContact CD1-CG1 4.48Å; I219-I284 HydrophobicContact CG1-CD1 3.74Å; I219-I284 HydrophobicContact CG1-CG1 4.27Å |
| 220 | N | 86.1 | Confident | 84.3 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.4 | 48.8 | 175.6 | -53.2 | -26.7 | 0 | 0 | 0 | 113 | I222 F281 T282 | N220-I222 WeakPolarHBondContact O-CG1 3.38Å; N220-I222 PolarHBondContact O-N 2.88Å; N220-I222 VanDerWaalsContact O-N 3.11Å; N220-F281 WeakPolarHBondContact O-CA 3.3Å; N220-T282 PolarHBondContact ND2-OG1 3.21Å; N220-T282 VanDerWaalsContact ND2-OG1 3.15Å |
| 221 | W | 87.3 | Confident | 85 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 107.8 | 169.5 | -65.2 | 83.8 | 0 | 0 | 0 | 108.6 | A218 I219 Q226 F229 L265 Y279 S280 F281 | A218-W221 HydrophobicContact CB-CZ2 4.02Å; I219-W221 PolarHBondContact O-N 3Å; W221-Q226 HydrophobicContact CD2-CB 3.97Å; W221-Q226 HydrophobicContact CG-CB 4.07Å; W221-Q226 HydrophobicContact CZ2-CB 4.36Å; W221-F229 HydrophobicContact CH2-CB 3.94Å; W221-F229 AromaticContact CH2-CD2 3.88Å; W221-F229 HydrophobicContact CH2-CD2 3.88Å; W221-F229 HydrophobicContact CH2-CG 4.18Å; W221-F229 AromaticContact CZ3-CD2 3.89Å; W221-F229 HydrophobicContact CZ3-CD2 3.89Å; W221-L265 HydrophobicContact CH2-CD1 4.41Å; W221-Y279 HydrophobicContact CZ3-CD1 4.3Å; W221-S280 CarbonylContact C-O 3.55Å; W221-S280 WeakPolarHBondContact CA-O 3.39Å; W221-F281 HydrophobicContact CD2-CB 3.67Å; W221-F281 HydrophobicContact CD2-CD1 4.42Å; W221-F281 HydrophobicContact CD2-CG 4.24Å; W221-F281 HydrophobicContact CE3-CB 3.99Å; W221-F281 HydrophobicContact CE3-CD1 4.07Å; W221-F281 HydrophobicContact CE3-CG 4.34Å; W221-F281 HydrophobicContact CG-CB 3.99Å; W221-F281 AromaticContact CH2-CD1 3.61Å; W221-F281 HydrophobicContact CH2-CD1 3.61Å; W221-F281 AromaticContact CH2-CE1 3.91Å; W221-F281 HydrophobicContact CH2-CE1 3.91Å; W221-F281 HydrophobicContact CH2-CG 4.1Å; W221-F281 HydrophobicContact CZ2-CB 4.28Å; W221-F281 AromaticContact CZ2-CD1 3.99Å; W221-F281 HydrophobicContact CZ2-CD1 3.99Å; W221-F281 HydrophobicContact CZ2-CD2 4.41Å; W221-F281 HydrophobicContact CZ2-CE1 4.42Å; W221-F281 AromaticContact CZ2-CG 3.99Å; W221-F281 HydrophobicContact CZ2-CG 3.99Å; W221-F281 HydrophobicContact CZ3-CB 4.42Å; W221-F281 AromaticContact CZ3-CD1 3.66Å; W221-F281 HydrophobicContact CZ3-CD1 3.66Å; W221-F281 HydrophobicContact CZ3-CE1 4.26Å; W221-F281 HydrophobicContact CZ3-CG 4.27Å |
| 222 | I | 78.7 | Confident | 85.2 | Confident | 125 Ų | 125 | 62.4 Ų | 62.4 | 64% | 0.641 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -43.3 | -177.5 | -59.2 | 172.2 | 0 | 0 | 0 | 110.5 | N220 S280 | N220-I222 WeakPolarHBondContact O-CG1 3.38Å; N220-I222 PolarHBondContact O-N 2.88Å; N220-I222 VanDerWaalsContact O-N 3.11Å; I222-S280 PolarHBondContact N-O 3.01Å |
| 223 | H | 67.7 | Low | 85.3 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 43% | 0.431 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138.5 | 176.2 | -55.2 | 98.7 | 0 | 0 | 0 | 107.7 | L278 Y279 S280 | H223-L278 CarbonylContact C-O 3.59Å; H223-L278 HydrophobicContact CB-CB 4.5Å; H223-L278 HydrophobicContact CB-CD2 4.46Å; H223-L278 VanDerWaalsContact CB-O 3.23Å; H223-L278 WeakPolarHBondContact CB-O 3.44Å; H223-Y279 VanDerWaalsContact O-CA 3.31Å; H223-Y279 WeakPolarHBondContact O-CA 3.43Å; H223-S280 PolarHBondContact O-N 3.11Å; H223-S280 VanDerWaalsContact O-N 3.1Å |
| 224 | G | 69.7 | Low | 85.1 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 75.1 | 168.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 225 | N | 76.2 | Confident | 84.2 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | trans | -98.6 | 135 | -176.9 | -177.6 | 5.5 | 0 | 0 | 0 | 111.1 | S227 | N225-S227 VanDerWaalsContact CG-OG 3.31Å; N225-S227 PolarHBondContact ND2-OG 2.87Å; N225-S227 PolarHBondContact O-N 2.84Å; N225-S227 PolarHBondContact OD1-N 2.85Å; N225-S227 VanDerWaalsContact OD1-N 3.08Å; N225-S227 PolarHBondContact OD1-OG 3.27Å | ||
| 226 | Q | 81.5 | Confident | 82.6 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 58% | 0.575 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -66.9 | -19.8 | 176.2 | 69.5 | 178.1 | 2.8 | 0 | 0 | 113.6 | W221 H228 F229 | W221-Q226 HydrophobicContact CD2-CB 3.97Å; W221-Q226 HydrophobicContact CG-CB 4.07Å; W221-Q226 HydrophobicContact CZ2-CB 4.36Å; Q226-H228 PolarHBondContact O-N 2.92Å; Q226-F229 PolarHBondContact O-N 3.48Å; Q226-F229 VanDerWaalsContact O-N 3.16Å |
| 227 | S | 85.2 | Confident | 80.3 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -67.7 | -18.4 | -178.5 | 69 | 0 | 0 | 0 | 0 | 113.9 | N225 F229 T268 E269 | N225-S227 VanDerWaalsContact CG-OG 3.31Å; N225-S227 PolarHBondContact ND2-OG 2.87Å; N225-S227 PolarHBondContact O-N 2.84Å; N225-S227 PolarHBondContact OD1-N 2.85Å; N225-S227 VanDerWaalsContact OD1-N 3.08Å; N225-S227 PolarHBondContact OD1-OG 3.27Å; S227-F229 VanDerWaalsContact C-N 3.27Å; S227-F229 PolarHBondContact O-N 3.41Å; S227-T268 PolarHBondContact O-OG1 3.22Å; S227-E269 WeakPolarHBondContact CB-OE2 3.5Å; S227-E269 PolarHBondContact OG-OE2 2.83Å |
| 228 | H | 86.6 | Confident | 78.1 | Confident | 30 Ų | 30 | 69 Ų | 69 | 14% | 0.139 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -77.1 | -13.8 | 176.8 | -56.4 | -175.2 | 0 | 0 | 0 | 112.5 | Q226 I267 T268 E269 L271 Y279 | Q226-H228 PolarHBondContact O-N 2.92Å; H228-I267 WeakPolarHBondContact O-CA 3.37Å; H228-T268 PolarHBondContact O-N 3.27Å; H228-T268 PolarHBondContact O-OG1 3.42Å; H228-E269 IonicContact CD2-OE2 3.74Å; H228-E269 PolarHBondContact CD2-OE2 3.4Å; H228-L271 HydrophobicContact CB-CD2 3.85Å; H228-Y279 HydrophobicContact CB-CE1 4.43Å; H228-Y279 PolarHBondContact CE1-OH 3.46Å; H228-Y279 AromaticContact ND1-CE1 3.7Å; H228-Y279 AromaticContact ND1-CZ 3.64Å; H228-Y279 PolarHBondContact ND1-OH 3.33Å |
| 229 | F | 89.9 | Confident | 75.7 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 6% | 0.057 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.1 | -175.1 | -63 | -76.4 | 0 | 0 | 0 | 113.7 | I198 W221 Q226 S227 L265 T266 I267 T268 L271 Y279 | I198-F229 HydrophobicContact CD1-CD1 4.06Å; I198-F229 HydrophobicContact CD1-CE1 3.61Å; W221-F229 HydrophobicContact CH2-CB 3.94Å; W221-F229 AromaticContact CH2-CD2 3.88Å; W221-F229 HydrophobicContact CH2-CD2 3.88Å; W221-F229 HydrophobicContact CH2-CG 4.18Å; W221-F229 AromaticContact CZ3-CD2 3.89Å; W221-F229 HydrophobicContact CZ3-CD2 3.89Å; Q226-F229 PolarHBondContact O-N 3.48Å; Q226-F229 VanDerWaalsContact O-N 3.16Å; S227-F229 VanDerWaalsContact C-N 3.27Å; S227-F229 PolarHBondContact O-N 3.41Å; F229-L265 HydrophobicContact CB-CB 4.38Å; F229-L265 HydrophobicContact CB-CD1 4.06Å; F229-L265 HydrophobicContact CB-CD2 4.45Å; F229-L265 HydrophobicContact CD1-CB 4.05Å; F229-L265 HydrophobicContact CD1-CD1 3.82Å; F229-L265 HydrophobicContact CG-CD1 3.96Å; F229-T266 WeakPolarHBondContact CA-O 3.49Å; F229-I267 HydrophobicContact CD1-CG1 4.41Å; F229-I267 HydrophobicContact CE1-CG1 4.05Å; F229-T268 PolarHBondContact N-OG1 2.92Å; F229-L271 HydrophobicContact CE1-CD1 4.36Å; F229-L271 HydrophobicContact CE1-CD2 4.47Å; F229-L271 HydrophobicContact CE2-CD2 4.17Å; F229-L271 HydrophobicContact CZ-CD1 4.02Å; F229-L271 HydrophobicContact CZ-CD2 3.8Å; F229-Y279 HydrophobicContact CD2-CD1 4.1Å; F229-Y279 HydrophobicContact CD2-CE1 4.38Å; F229-Y279 AromaticContact CE2-CD1 3.49Å; F229-Y279 HydrophobicContact CE2-CD1 3.49Å; F229-Y279 VanDerWaalsContact CE2-CD1 3.49Å; F229-Y279 HydrophobicContact CE2-CD2 4.16Å; F229-Y279 AromaticContact CE2-CE1 3.7Å; F229-Y279 HydrophobicContact CE2-CE1 3.7Å; F229-Y279 HydrophobicContact CE2-CE2 4.38Å; F229-Y279 AromaticContact CE2-CG 3.75Å; F229-Y279 HydrophobicContact CE2-CG 3.75Å; F229-Y279 HydrophobicContact CZ-CG 4.48Å |
| 230 | R | 90.3 | Very high | 73.1 | Confident | 172 Ų | 172 | 76.9 Ų | 76.9 | 65% | 0.649 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.9 | 170.4 | 178.9 | 177.9 | -179.2 | -176.7 | -0.3 | 110.9 | L265 T266 T268 | R230-L265 CarbonylContact O-C 3.38Å; R230-L265 WeakPolarHBondContact O-CA 3.49Å; R230-T266 PolarHBondContact N-O 2.87Å; R230-T266 PolarHBondContact O-N 2.76Å; R230-T266 PolarHBondContact O-OG1 2.78Å; R230-T268 HydrophobicContact CB-CG2 3.71Å |
| 231 | L | 91.3 | Very high | 70.5 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 133.8 | 171.6 | -175.5 | 66.8 | 0 | 0 | 0 | 110.6 | L200 Y216 A218 P263 L265 L283 | L200-L231 HydrophobicContact CD1-CD1 3.79Å; Y216-L231 WeakPolarHBondContact O-CD2 3.31Å; A218-L231 HydrophobicContact CB-CD2 4.26Å; L231-P263 HydrophobicContact CD1-CB 4.38Å; L231-L265 HydrophobicContact CB-CD2 4.12Å; L231-L265 HydrophobicContact CD1-CD2 3.86Å; L231-L283 HydrophobicContact CD1-CD1 4.3Å; L231-L283 HydrophobicContact CD2-CD1 4.49Å |
| 232 | G | 89.6 | Confident | 67.8 | Low | 17 Ų | 17 | 84.6 Ų | 84.6 | 18% | 0.175 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P263 Y264 | G232-P263 WeakPolarHBondContact O-CA 3.34Å; G232-Y264 PolarHBondContact N-O 3.26Å; G232-Y264 PolarHBondContact O-N 2.88Å |
| 233 | V | 88 | Confident | 65.5 | Low | 46 Ų | 46 | 88 Ų | 88 | 28% | 0.279 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.5 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | Y216 L260 G261 Y264 | Y216-V233 HydrophobicContact CD2-CG2 4Å; V233-L260 HydrophobicContact CG1-CD1 3.85Å; V233-L260 HydrophobicContact CG1-CG 3.96Å; V233-L260 HydrophobicContact CG2-CD1 4.45Å; V233-G261 WeakPolarHBondContact CG1-O 3.47Å; V233-Y264 WeakPolarHBondContact O-CE1 3.49Å; V233-Y264 PolarHBondContact O-OH 3.37Å |
| 234 | S | 82.2 | Confident | 63.7 | Low | 6 Ų | 6 | 91.5 Ų | 91.5 | 4% | 0.042 | 48% | 0.48 | C | S | . | . | trans | -71.8 | 139.1 | 174.9 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | G261 K262 | S234-G261 WeakPolarHBondContact O-CA 3.5Å; S234-K262 PolarHBondContact N-O 2.86Å; S234-K262 PolarHBondContact OG-N 2.91Å | ||
| 235 | D | 66.5 | Low | 61.7 | Low | 125 Ų | 125 | 92.9 Ų | 92.9 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | trans | -60.8 | 143.3 | 160.5 | -71.7 | -48.4 | 0 | 0 | 0 | 109.2 | N237 D238 | D235-N237 PolarHBondContact O-N 3.49Å; D235-D238 PolarHBondContact O-N 3.07Å; D235-D238 VanDerWaalsContact O-N 3.07Å | ||
| 236 | S | 54.8 | Low | 59.4 | Low | 47 Ų | 47 | 96.9 Ų | 96.9 | 33% | 0.329 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -2.9 | -175 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | N257 | S236-N257 PolarHBondContact OG-ND2 2.97Å; S236-N257 PolarHBondContact OG-OD1 3.04Å |
| 237 | N | 45.8 | Very low | 57.1 | Low | 120 Ų | 120 | 97.2 Ų | 97.2 | 64% | 0.642 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -15.4 | 175.1 | -63 | -36 | 0 | 0 | 0 | 113.7 | D235 L239 | D235-N237 PolarHBondContact O-N 3.49Å; N237-L239 VanDerWaalsContact C-N 3.31Å; N237-L239 PolarHBondContact O-N 3.38Å |
| 238 | D | 44.2 | Very low | 54.5 | Low | 93 Ų | 93 | 102.1 Ų | 102.1 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | trans | -76.3 | -11.9 | -173.9 | -95.4 | 8.6 | 0 | 0 | 0 | 113.9 | K197 D235 N240 | K197-D238 IonicContact NZ-OD2 3.53Å; D235-D238 PolarHBondContact O-N 3.07Å; D235-D238 VanDerWaalsContact O-N 3.07Å; D238-N240 PolarHBondContact O-N 2.94Å | ||
| 239 | L | 39.7 | Very low | 51.7 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 60% | 0.597 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -80.2 | 43.1 | -179.7 | -72.4 | 170.2 | 0 | 0 | 0 | 113.3 | N237 | N237-L239 VanDerWaalsContact C-N 3.31Å; N237-L239 PolarHBondContact O-N 3.38Å |
| 240 | N | 33.2 | Very low | 48.7 | Very low | 142 Ų | 142 | 116 Ų | 116 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -149.2 | 43.9 | 178.8 | -90.7 | -53.5 | 0 | 0 | 0 | 113.1 | D238 | D238-N240 PolarHBondContact O-N 2.94Š|
| 241 | N | 31.3 | Very low | 45.7 | Very low | 160 Ų | 160 | 113 Ų | 113 | 86% | 0.856 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -169.3 | 80.3 | 158.5 | -93.7 | -38.3 | 0 | 0 | 0 | 111.2 | ||
| 242 | D | 31.7 | Very low | 42.5 | Very low | 150 Ų | 150 | 116 Ų | 116 | 80% | 0.802 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -174.9 | 136.6 | 135.6 | -106.3 | -25.2 | 0 | 0 | 0 | 112.2 | ||
| 243 | F | 30.6 | Very low | 39.5 | Very low | 197 Ų | 197 | 120.4 Ų | 120.4 | 86% | 0.864 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 55.5 | 50.7 | 168.8 | -70.9 | -84.9 | 0 | 0 | 0 | 119.7 | ||
| 244 | I | 30.4 | Very low | 36.7 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | trans | -123.7 | 125.4 | 135.7 | -65.4 | -177.1 | 0 | 0 | 0 | 108.6 | ||||
| 245 | G | 27.3 | Very low | 34 | Very low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | -88.5 | 146.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 246 | D | 27.8 | Very low | 32.1 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | trans | 63.1 | 86.9 | 162.4 | -59.1 | -17 | 0 | 0 | 0 | 118.4 | ||||
| 247 | V | 33 | Very low | 30.9 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | 168.5 | 120.5 | 98.9 | 159.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 248 | H | 31.2 | Very low | 30.7 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 70% | 0.704 | 73% | 0.732 | S | S | * | * | trans | 32.4 | 106.5 | 157.1 | -70.6 | -73.3 | 0 | 0 | 0 | 123.6 | ||||
| 249 | E | 26.5 | Very low | 31.5 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | 40.2 | 124.4 | 115.9 | -60.3 | 174.4 | 120 | 0 | 0 | 122.1 | |||||
| 250 | I | 28.2 | Very low | 33 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 86% | 0.862 | 72% | 0.716 | S | S | * | * | trans | -160.8 | 150.4 | 132 | -106 | 155.1 | 0 | 0 | 0 | 110.1 | ||||
| 251 | P | 26.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | trans | -96.9 | 142.8 | -153.6 | -6.6 | 27 | 0 | 0 | 0 | 117.6 | ||||
| 252 | S | 23.9 | Very low | 37.7 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | trans | 13.9 | 110.7 | 146.1 | 62.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 253 | S | 26.6 | Very low | 40.6 | Very low | 109 Ų | 109 | 112.3 Ų | 112.3 | 76% | 0.762 | 62% | 0.619 | S | S | * | * | trans | -173.5 | 168.6 | 132.6 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 254 | I | 28.8 | Very low | 43.5 | Very low | 146 Ų | 146 | 104.9 Ų | 104.9 | 75% | 0.749 | 59% | 0.586 | S | S | * | * | trans | 75.6 | 102.2 | 176.4 | -45.2 | 176.9 | 0 | 0 | 0 | 114.8 | L256 | I254-L256 HydrophobicContact CG2-CD1 3.83Š| ||
| 255 | N | 25.1 | Very low | 46.4 | Very low | 139 Ų | 139 | 97 Ų | 97 | 74% | 0.743 | 55% | 0.546 | S | S | * | . | trans | -65 | 127.4 | 164.9 | -81.4 | -41.4 | 0 | 0 | 0 | 111.1 | ||||
| 256 | L | 27.4 | Very low | 49.4 | Very low | 129 Ų | 129 | 94.9 Ų | 94.9 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | trans | -138.1 | 65.9 | 150.4 | -82 | 111.9 | 0 | 0 | 0 | 109.2 | P140 I254 | P140-L256 HydrophobicContact CB-CD2 4.18Å; I254-L256 HydrophobicContact CG2-CD1 3.83Å | ||
| 257 | N | 30.2 | Very low | 52.3 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 47% | 0.465 | 48% | 0.481 | S | S | . | . | trans | -85.1 | 146.8 | 161.8 | -64.7 | -34.8 | 0 | 0 | 0 | 107.6 | S236 | S236-N257 PolarHBondContact OG-ND2 2.97Å; S236-N257 PolarHBondContact OG-OD1 3.04Å | ||
| 258 | S | 40.8 | Very low | 54.8 | Low | 94 Ų | 94 | 84.2 Ų | 84.2 | 66% | 0.657 | 46% | 0.461 | S | S | * | . | cis | -140.6 | 100.3 | 31.4 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 259 | H | 60.5 | Low | 57.4 | Low | 118 Ų | 118 | 81.4 Ų | 81.4 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -68.2 | 129.9 | 146.3 | -69.1 | -6.2 | 0 | 0 | 0 | 108.1 | D209 N212 G261 | D209-H259 IonicContact OD1-CE1 3.38Å; D209-H259 PolarHBondContact OD1-CE1 2.98Å; D209-H259 IonicContact OD1-ND1 3.33Å; D209-H259 PolarHBondContact OD1-ND1 2.87Å; N212-H259 PolarHBondContact ND2-ND1 2.81Å; H259-G261 PolarHBondContact O-N 3.13Å |
| 260 | L | 71.5 | Confident | 60.1 | Low | 43 Ų | 43 | 76.4 Ų | 76.4 | 23% | 0.225 | 44% | 0.441 | C | S | . | . | trans | -65.8 | 127.3 | 175.9 | -171.8 | 69.9 | 0 | 0 | 0 | 109.6 | Q202 V213 Y216 V233 | Q202-L260 PolarHBondContact NE2-O 2.96Å; V213-L260 HydrophobicContact CG1-CD2 4.04Å; V213-L260 WeakPolarHBondContact O-CB 3.13Å; Y216-L260 HydrophobicContact CD2-CD2 3.43Å; Y216-L260 VanDerWaalsContact CD2-CD2 3.43Å; Y216-L260 HydrophobicContact CD2-CG 4.1Å; Y216-L260 HydrophobicContact CE2-CD2 3.45Å; Y216-L260 VanDerWaalsContact CE2-CD2 3.45Å; Y216-L260 HydrophobicContact CE2-CG 3.87Å; Y216-L260 HydrophobicContact CG-CD2 4.38Å; V233-L260 HydrophobicContact CG1-CD1 3.85Å; V233-L260 HydrophobicContact CG1-CG 3.96Å; V233-L260 HydrophobicContact CG2-CD1 4.45Å | ||
| 261 | G | 77.8 | Confident | 63 | Low | 7 Ų | 7 | 69.2 Ų | 69.2 | 7% | 0.072 | 40% | 0.404 | C | S | . | . | trans | -66.7 | -174.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y216 V233 S234 H259 | Y216-G261 WeakPolarHBondContact CE2-O 3.46Å; V233-G261 WeakPolarHBondContact CG1-O 3.47Å; S234-G261 WeakPolarHBondContact O-CA 3.5Å; H259-G261 PolarHBondContact O-N 3.13Å | ||
| 262 | K | 86.5 | Confident | 66 | Low | 70 Ų | 70 | 66.9 Ų | 66.9 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | trans | -72.8 | 127.5 | 179.4 | -170.2 | 175.8 | -177.5 | -172.2 | 0 | 109.8 | W199 L200 Q202 S234 | W199-K262 HydrophobicContact CD2-CD 4.4Å; W199-K262 HydrophobicContact CE3-CB 4.19Å; W199-K262 HydrophobicContact CE3-CD 3.79Å; W199-K262 HydrophobicContact CE3-CG 3.92Å; W199-K262 HydrophobicContact CZ3-CB 4.09Å; W199-K262 HydrophobicContact CZ3-CD 4.37Å; W199-K262 HydrophobicContact CZ3-CG 4.34Å; L200-K262 WeakPolarHBondContact O-CE 3.09Å; Q202-K262 HydrophobicContact CB-CG 4.36Å; S234-K262 PolarHBondContact N-O 2.86Å; S234-K262 PolarHBondContact OG-N 2.91Å | ||
| 263 | P | 92.3 | Very high | 69.2 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 150.9 | 176.1 | 26.5 | -31 | 0 | 0 | 0 | 111.5 | L200 P201 Y216 L231 G232 L283 | L200-P263 HydrophobicContact CB-CB 4.14Å; L200-P263 HydrophobicContact CB-CG 3.93Å; L200-P263 WeakPolarHBondContact CB-O 3.22Å; L200-P263 PolarHBondContact N-O 3.2Å; P201-P263 VanDerWaalsContact O-CG 3.25Å; P201-P263 WeakPolarHBondContact O-CG 3.05Å; Y216-P263 HydrophobicContact CD1-CB 4.36Å; Y216-P263 HydrophobicContact CD1-CG 4.08Å; Y216-P263 HydrophobicContact CD2-CB 3.87Å; Y216-P263 HydrophobicContact CD2-CG 4.07Å; Y216-P263 HydrophobicContact CE1-CG 3.93Å; Y216-P263 HydrophobicContact CE2-CB 4.19Å; Y216-P263 HydrophobicContact CE2-CG 3.94Å; Y216-P263 HydrophobicContact CG-CB 3.98Å; Y216-P263 HydrophobicContact CG-CG 4.15Å; L231-P263 HydrophobicContact CD1-CB 4.38Å; G232-P263 WeakPolarHBondContact O-CA 3.34Å; P263-L283 HydrophobicContact CG-CD2 4.39Å |
| 264 | Y | 92 | Very high | 72.1 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 16% | 0.157 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 156.5 | 172.7 | 59 | -98.1 | 0 | 0 | 0 | 111.1 | K197 I198 W199 G232 V233 T266 | K197-Y264 HydrophobicContact CB-CD2 4.34Å; K197-Y264 HydrophobicContact CB-CG 4.43Å; K197-Y264 HydrophobicContact CD-CD1 4.35Å; K197-Y264 HydrophobicContact CD-CD2 4.28Å; K197-Y264 HydrophobicContact CD-CE1 4.31Å; K197-Y264 HydrophobicContact CD-CE2 4.27Å; K197-Y264 HydrophobicContact CD-CG 4.35Å; K197-Y264 HydrophobicContact CG-CD2 3.96Å; K197-Y264 HydrophobicContact CG-CE2 4.17Å; K197-Y264 HydrophobicContact CG-CG 4.34Å; I198-Y264 CarbonylContact O-C 3.59Å; I198-Y264 WeakPolarHBondContact O-CA 3.12Å; I198-Y264 WeakPolarHBondContact O-CB 3.45Å; W199-Y264 HydrophobicContact CE3-CD1 4.17Å; W199-Y264 HydrophobicContact CE3-CG 4.48Å; W199-Y264 HydrophobicContact CH2-CD1 4.19Å; W199-Y264 AromaticContact CZ3-CD1 3.67Å; W199-Y264 HydrophobicContact CZ3-CD1 3.67Å; W199-Y264 HydrophobicContact CZ3-CG 4.38Å; G232-Y264 PolarHBondContact N-O 3.26Å; G232-Y264 PolarHBondContact O-N 2.88Å; V233-Y264 WeakPolarHBondContact O-CE1 3.49Å; V233-Y264 PolarHBondContact O-OH 3.37Å; Y264-T266 HydrophobicContact CD2-CG2 3.97Å; Y264-T266 HydrophobicContact CE2-CG2 3.84Å |
| 265 | L | 91.1 | Very high | 74.9 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 149.8 | 161.1 | -53.4 | 177.5 | 0 | 0 | 0 | 109.7 | K197 I198 L200 W221 F229 R230 L231 F281 I312 | K197-L265 WeakPolarHBondContact CA-O 3.43Å; I198-L265 HydrophobicContact CB-CB 4.22Å; I198-L265 HydrophobicContact CD1-CB 4.32Å; I198-L265 PolarHBondContact N-O 2.89Å; I198-L265 PolarHBondContact O-N 2.86Å; L200-L265 HydrophobicContact CD1-CD2 4.01Å; L200-L265 HydrophobicContact CD1-CG 4.01Å; L200-L265 HydrophobicContact CD2-CG 4.49Å; L200-L265 HydrophobicContact CG-CG 4.4Å; W221-L265 HydrophobicContact CH2-CD1 4.41Å; F229-L265 HydrophobicContact CB-CB 4.38Å; F229-L265 HydrophobicContact CB-CD1 4.06Å; F229-L265 HydrophobicContact CB-CD2 4.45Å; F229-L265 HydrophobicContact CD1-CB 4.05Å; F229-L265 HydrophobicContact CD1-CD1 3.82Å; F229-L265 HydrophobicContact CG-CD1 3.96Å; R230-L265 CarbonylContact O-C 3.38Å; R230-L265 WeakPolarHBondContact O-CA 3.49Å; L231-L265 HydrophobicContact CB-CD2 4.12Å; L231-L265 HydrophobicContact CD1-CD2 3.86Å; L265-F281 HydrophobicContact CD1-CE1 3.93Å; L265-F281 HydrophobicContact CD1-CZ 3.9Å; L265-F281 HydrophobicContact CD2-CZ 4.48Å; L265-I312 HydrophobicContact CD1-CD1 3.66Å |
| 266 | T | 90.3 | Very high | 77.8 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 10% | 0.104 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.4 | 160.8 | 45.7 | 0 | 0 | 0 | 0 | 110.2 | E196 K197 F229 R230 Y264 | E196-T266 WeakPolarHBondContact O-CA 3.46Å; K197-T266 HydrophobicContact CG-CG2 4.08Å; F229-T266 WeakPolarHBondContact CA-O 3.49Å; R230-T266 PolarHBondContact N-O 2.87Å; R230-T266 PolarHBondContact O-N 2.76Å; R230-T266 PolarHBondContact O-OG1 2.78Å; Y264-T266 HydrophobicContact CD2-CG2 3.97Å; Y264-T266 HydrophobicContact CE2-CG2 3.84Å |
| 267 | I | 87.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122.6 | 178.1 | -57.9 | 99.1 | 0 | 0 | 0 | 109.4 | I192 L194 D195 E196 I198 H228 F229 E269 L271 | I192-I267 HydrophobicContact CD1-CD1 3.78Å; I192-I267 HydrophobicContact CG1-CD1 3.92Å; I192-I267 HydrophobicContact CG2-CD1 3.82Å; I192-I267 HydrophobicContact CG2-CG1 3.95Å; L194-I267 HydrophobicContact CD2-CG2 4.27Å; D195-I267 PolarHBondContact N-O 2.91Å; E196-I267 HydrophobicContact CB-CD1 4.07Å; E196-I267 WeakPolarHBondContact O-CD1 3.14Å; I198-I267 HydrophobicContact CD1-CD1 3.78Å; I198-I267 HydrophobicContact CD1-CG1 4.06Å; I198-I267 HydrophobicContact CG1-CD1 4.22Å; H228-I267 WeakPolarHBondContact O-CA 3.37Å; F229-I267 HydrophobicContact CD1-CG1 4.41Å; F229-I267 HydrophobicContact CE1-CG1 4.05Å; I267-E269 WeakPolarHBondContact CG2-O 3.4Å; I267-L271 HydrophobicContact CG1-CD1 4.36Å; I267-L271 HydrophobicContact CG2-CD2 4.42Å; I267-L271 HydrophobicContact CG2-CG 4.15Å |
| 268 | T | 86.8 | Confident | 83.4 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | trans | -106.6 | -23.3 | -176.2 | 34.9 | 0 | 0 | 0 | 0 | 114.4 | S227 H228 F229 R230 | S227-T268 PolarHBondContact O-OG1 3.22Å; H228-T268 PolarHBondContact O-N 3.27Å; H228-T268 PolarHBondContact O-OG1 3.42Å; F229-T268 PolarHBondContact N-OG1 2.92Å; R230-T268 HydrophobicContact CB-CG2 3.71Å | ||
| 269 | E | 83.8 | Confident | 85.7 | Confident | 93 Ų | 93 | 44.4 Ų | 44.4 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -134.7 | 152.5 | 174.8 | -61.3 | -177.2 | 124.2 | 0 | 0 | 107.8 | S227 H228 I267 | S227-E269 WeakPolarHBondContact CB-OE2 3.5Å; S227-E269 PolarHBondContact OG-OE2 2.83Å; H228-E269 IonicContact CD2-OE2 3.74Å; H228-E269 PolarHBondContact CD2-OE2 3.4Å; I267-E269 WeakPolarHBondContact CG2-O 3.4Å |
| 270 | G | 83.5 | Confident | 87.1 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 62% | 0.619 | 22% | 0.219 | S | C | * | . | trans | -58.1 | 141.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 271 | L | 89.5 | Confident | 88.1 | Confident | 17 Ų | 17 | 37.6 Ų | 37.6 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | trans | -89 | 151.8 | 174.2 | -57.3 | -178.2 | 0 | 0 | 0 | 109.5 | I188 E190 I192 H228 F229 I267 I314 | I188-L271 HydrophobicContact CG2-CD1 3.95Å; E190-L271 HydrophobicContact CB-CB 4.11Å; I192-L271 HydrophobicContact CG2-CD1 3.8Å; I192-L271 HydrophobicContact CG2-CG 4.48Å; H228-L271 HydrophobicContact CB-CD2 3.85Å; F229-L271 HydrophobicContact CE1-CD1 4.36Å; F229-L271 HydrophobicContact CE1-CD2 4.47Å; F229-L271 HydrophobicContact CE2-CD2 4.17Å; F229-L271 HydrophobicContact CZ-CD1 4.02Å; F229-L271 HydrophobicContact CZ-CD2 3.8Å; I267-L271 HydrophobicContact CG1-CD1 4.36Å; I267-L271 HydrophobicContact CG2-CD2 4.42Å; I267-L271 HydrophobicContact CG2-CG 4.15Å; L271-I314 HydrophobicContact CD1-CD1 3.87Å | ||
| 272 | D | 89.9 | Confident | 88.7 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | trans | -152.1 | 115.3 | -174.7 | 170.1 | -39.7 | 0 | 0 | 0 | 105.8 | E274 L275 I276 | D272-E274 PolarHBondContact OD1-N 3.46Å; D272-E274 VanDerWaalsContact OD1-N 3.09Å; D272-L275 HydrophobicContact CB-CB 4.44Å; D272-L275 HydrophobicContact CB-CD1 4.28Å; D272-L275 HydrophobicContact CB-CG 4.5Å; D272-L275 VanDerWaalsContact OD1-CB 3.29Å; D272-L275 WeakPolarHBondContact OD1-CB 3.48Å; D272-L275 VanDerWaalsContact OD1-CG 3.26Å; D272-L275 WeakPolarHBondContact OD1-CG 3.25Å; D272-L275 PolarHBondContact OD1-N 3.29Å; D272-L275 VanDerWaalsContact OD2-CD1 3.25Å; D272-L275 WeakPolarHBondContact OD2-CD1 3.01Å; D272-L275 WeakPolarHBondContact OD2-CG 3.47Å; D272-I276 PolarHBondContact O-N 2.84Å | ||
| 273 | R | 91.2 | Very high | 89 | Confident | 10 Ų | 10 | 35 Ų | 35 | 4% | 0.038 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -22.9 | -175 | -167.3 | -156.4 | 59.1 | 42.7 | -4.7 | 111.7 | E190 L275 D277 I314 D316 R350 | E190-R273 WeakPolarHBondContact OE2-CA 3.09Å; E190-R273 WeakPolarHBondContact OE2-CB 3.36Å; E190-R273 PolarHBondContact OE2-N 3.04Å; R273-L275 VanDerWaalsContact C-N 3.31Å; R273-D277 HydrophobicContact CG-CB 3.83Å; R273-D277 PolarHBondContact O-N 3.4Å; R273-I314 HydrophobicContact CB-CB 4.3Å; R273-I314 HydrophobicContact CB-CG2 3.79Å; R273-I314 HydrophobicContact CG-CB 4.05Å; R273-I314 HydrophobicContact CG-CG2 4.01Å; R273-D316 IonicContact CZ-OD1 3.46Å; R273-D316 IonicContact NE-OD1 3.85Å; R273-D316 PolarHBondContact NE-OD1 2.81Å; R273-D316 IonicContact NH2-OD1 2.73Å; R273-D316 PolarHBondContact NH2-OD1 2.85Å; R273-R350 PolarHBondContact NH2-O 3.49Å |
| 274 | E | 87.9 | Confident | 89 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -34.8 | 179 | -71.8 | 55.6 | -111.9 | 0 | 0 | 110.7 | D272 R350 | D272-E274 PolarHBondContact OD1-N 3.46Å; D272-E274 VanDerWaalsContact OD1-N 3.09Å; E274-R350 HydrophobicContact CG-CB 3.53Å |
| 275 | L | 86.6 | Confident | 89 | Confident | 136 Ų | 136 | 34.4 Ų | 34.4 | 71% | 0.712 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -48.7 | 170.3 | -64.8 | 179.1 | 0 | 0 | 0 | 111.8 | D272 R273 | D272-L275 HydrophobicContact CB-CB 4.44Å; D272-L275 HydrophobicContact CB-CD1 4.28Å; D272-L275 HydrophobicContact CB-CG 4.5Å; D272-L275 VanDerWaalsContact OD1-CB 3.29Å; D272-L275 WeakPolarHBondContact OD1-CB 3.48Å; D272-L275 VanDerWaalsContact OD1-CG 3.26Å; D272-L275 WeakPolarHBondContact OD1-CG 3.25Å; D272-L275 PolarHBondContact OD1-N 3.29Å; D272-L275 VanDerWaalsContact OD2-CD1 3.25Å; D272-L275 WeakPolarHBondContact OD2-CD1 3.01Å; D272-L275 WeakPolarHBondContact OD2-CG 3.47Å; R273-L275 VanDerWaalsContact C-N 3.31Å |
| 276 | I | 86.4 | Confident | 88.9 | Confident | 41 Ų | 41 | 35.4 Ų | 35.4 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | trans | -146.4 | 94.3 | -170.9 | -49.3 | 176.6 | 0 | 0 | 0 | 112.1 | D272 L278 Y279 | D272-I276 PolarHBondContact O-N 2.84Å; I276-L278 WeakPolarHBondContact CG2-O 3.23Å; I276-L278 PolarHBondContact O-N 3.02Å; I276-Y279 HydrophobicContact CB-CE2 4.08Å; I276-Y279 HydrophobicContact CD1-CE1 4.48Å; I276-Y279 HydrophobicContact CG2-CD1 4.44Å; I276-Y279 HydrophobicContact CG2-CD2 4.11Å; I276-Y279 HydrophobicContact CG2-CE1 3.97Å; I276-Y279 HydrophobicContact CG2-CE2 3.55Å; I276-Y279 HydrophobicContact CG2-CG 4.5Å; I276-Y279 VanDerWaalsContact CG2-CZ 3.48Å; I276-Y279 WeakPolarHBondContact O-CE2 3.48Å | ||
| 277 | D | 86.5 | Confident | 88.9 | Confident | 79 Ų | 79 | 34.7 Ų | 34.7 | 42% | 0.422 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -75.8 | -18.3 | 179.2 | 79.5 | -42.1 | 0 | 0 | 0 | 114.9 | R273 I314 | R273-D277 HydrophobicContact CG-CB 3.83Å; R273-D277 PolarHBondContact O-N 3.4Å; D277-I314 PolarHBondContact O-N 3.48Å |
| 278 | L | 89.1 | Confident | 88.7 | Confident | 47 Ų | 47 | 35 Ų | 35 | 25% | 0.246 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 131.3 | -170.6 | -163.3 | 78 | 0 | 0 | 0 | 112 | H223 I276 I311 K313 | H223-L278 CarbonylContact C-O 3.59Å; H223-L278 HydrophobicContact CB-CB 4.5Å; H223-L278 HydrophobicContact CB-CD2 4.46Å; H223-L278 VanDerWaalsContact CB-O 3.23Å; H223-L278 WeakPolarHBondContact CB-O 3.44Å; I276-L278 WeakPolarHBondContact CG2-O 3.23Å; I276-L278 PolarHBondContact O-N 3.02Å; L278-I311 HydrophobicContact CD1-CG2 3.61Å; L278-I311 HydrophobicContact CG-CG2 4.22Å; L278-K313 HydrophobicContact CD1-CB 4.23Å |
| 279 | Y | 89.7 | Confident | 88.1 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.3 | 169.4 | -61.5 | -106.4 | 0 | 0 | 0 | 109.1 | W221 H223 H228 F229 I276 I311 I312 I314 | W221-Y279 HydrophobicContact CZ3-CD1 4.3Å; H223-Y279 VanDerWaalsContact O-CA 3.31Å; H223-Y279 WeakPolarHBondContact O-CA 3.43Å; H228-Y279 HydrophobicContact CB-CE1 4.43Å; H228-Y279 PolarHBondContact CE1-OH 3.46Å; H228-Y279 AromaticContact ND1-CE1 3.7Å; H228-Y279 AromaticContact ND1-CZ 3.64Å; H228-Y279 PolarHBondContact ND1-OH 3.33Å; F229-Y279 HydrophobicContact CD2-CD1 4.1Å; F229-Y279 HydrophobicContact CD2-CE1 4.38Å; F229-Y279 AromaticContact CE2-CD1 3.49Å; F229-Y279 HydrophobicContact CE2-CD1 3.49Å; F229-Y279 VanDerWaalsContact CE2-CD1 3.49Å; F229-Y279 HydrophobicContact CE2-CD2 4.16Å; F229-Y279 AromaticContact CE2-CE1 3.7Å; F229-Y279 HydrophobicContact CE2-CE1 3.7Å; F229-Y279 HydrophobicContact CE2-CE2 4.38Å; F229-Y279 AromaticContact CE2-CG 3.75Å; F229-Y279 HydrophobicContact CE2-CG 3.75Å; F229-Y279 HydrophobicContact CZ-CG 4.48Å; I276-Y279 HydrophobicContact CB-CE2 4.08Å; I276-Y279 HydrophobicContact CD1-CE1 4.48Å; I276-Y279 HydrophobicContact CG2-CD1 4.44Å; I276-Y279 HydrophobicContact CG2-CD2 4.11Å; I276-Y279 HydrophobicContact CG2-CE1 3.97Å; I276-Y279 HydrophobicContact CG2-CE2 3.55Å; I276-Y279 HydrophobicContact CG2-CG 4.5Å; I276-Y279 VanDerWaalsContact CG2-CZ 3.48Å; I276-Y279 WeakPolarHBondContact O-CE2 3.48Å; Y279-I311 WeakPolarHBondContact O-CA 3.43Å; Y279-I312 HydrophobicContact CD2-CG2 4.46Å; Y279-I312 PolarHBondContact N-O 2.8Å; Y279-I312 PolarHBondContact O-N 3.13Å; Y279-I314 HydrophobicContact CD2-CD1 4Å; Y279-I314 HydrophobicContact CD2-CG1 4.01Å; Y279-I314 HydrophobicContact CE2-CD1 3.9Å; Y279-I314 HydrophobicContact CE2-CG1 3.7Å |
| 280 | S | 89.9 | Confident | 87.4 | Confident | 16 Ų | 16 | 30.3 Ų | 30.3 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 123 | -176.2 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | W221 I222 H223 I310 | W221-S280 CarbonylContact C-O 3.55Å; W221-S280 WeakPolarHBondContact CA-O 3.39Å; I222-S280 PolarHBondContact N-O 3.01Å; H223-S280 PolarHBondContact O-N 3.11Å; H223-S280 VanDerWaalsContact O-N 3.1Å; S280-I310 WeakPolarHBondContact CA-O 3.47Å |
| 281 | F | 90.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 162.8 | -176.3 | 67.3 | -87.3 | 0 | 0 | 0 | 112.2 | L200 A218 N220 W221 L265 L283 I310 I312 | L200-F281 HydrophobicContact CD1-CE2 4.42Å; L200-F281 HydrophobicContact CD1-CZ 4.18Å; L200-F281 HydrophobicContact CD2-CZ 4.22Å; A218-F281 HydrophobicContact CB-CD2 3.68Å; A218-F281 HydrophobicContact CB-CE2 3.85Å; N220-F281 WeakPolarHBondContact O-CA 3.3Å; W221-F281 HydrophobicContact CD2-CB 3.67Å; W221-F281 HydrophobicContact CD2-CD1 4.42Å; W221-F281 HydrophobicContact CD2-CG 4.24Å; W221-F281 HydrophobicContact CE3-CB 3.99Å; W221-F281 HydrophobicContact CE3-CD1 4.07Å; W221-F281 HydrophobicContact CE3-CG 4.34Å; W221-F281 HydrophobicContact CG-CB 3.99Å; W221-F281 AromaticContact CH2-CD1 3.61Å; W221-F281 HydrophobicContact CH2-CD1 3.61Å; W221-F281 AromaticContact CH2-CE1 3.91Å; W221-F281 HydrophobicContact CH2-CE1 3.91Å; W221-F281 HydrophobicContact CH2-CG 4.1Å; W221-F281 HydrophobicContact CZ2-CB 4.28Å; W221-F281 AromaticContact CZ2-CD1 3.99Å; W221-F281 HydrophobicContact CZ2-CD1 3.99Å; W221-F281 HydrophobicContact CZ2-CD2 4.41Å; W221-F281 HydrophobicContact CZ2-CE1 4.42Å; W221-F281 AromaticContact CZ2-CG 3.99Å; W221-F281 HydrophobicContact CZ2-CG 3.99Å; W221-F281 HydrophobicContact CZ3-CB 4.42Å; W221-F281 AromaticContact CZ3-CD1 3.66Å; W221-F281 HydrophobicContact CZ3-CD1 3.66Å; W221-F281 HydrophobicContact CZ3-CE1 4.26Å; W221-F281 HydrophobicContact CZ3-CG 4.27Å; L265-F281 HydrophobicContact CD1-CE1 3.93Å; L265-F281 HydrophobicContact CD1-CZ 3.9Å; L265-F281 HydrophobicContact CD2-CZ 4.48Å; F281-L283 HydrophobicContact CE2-CB 4.09Å; F281-I310 HydrophobicContact CD1-CB 4.18Å; F281-I310 HydrophobicContact CD1-CG2 4.4Å; F281-I310 HydrophobicContact CD2-CB 4.29Å; F281-I310 HydrophobicContact CD2-CG1 4.48Å; F281-I310 HydrophobicContact CE1-CB 3.71Å; F281-I310 HydrophobicContact CE1-CG2 3.58Å; F281-I310 HydrophobicContact CE2-CB 3.86Å; F281-I310 HydrophobicContact CE2-CG1 3.82Å; F281-I310 HydrophobicContact CE2-CG2 4.38Å; F281-I310 HydrophobicContact CG-CB 4.45Å; F281-I310 HydrophobicContact CZ-CB 3.54Å; F281-I310 HydrophobicContact CZ-CG1 3.83Å; F281-I310 HydrophobicContact CZ-CG2 3.57Å; F281-I310 PolarHBondContact N-O 2.97Å; F281-I310 PolarHBondContact O-N 2.82Å; F281-I312 HydrophobicContact CE1-CD1 4.14Å |
| 282 | T | 90.7 | Very high | 84.6 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.8 | 169.2 | -48.4 | 0 | 0 | 0 | 0 | 109.3 | I219 N220 I284 | I219-T282 PolarHBondContact N-O 3.23Å; I219-T282 PolarHBondContact O-N 3.1Å; N220-T282 PolarHBondContact ND2-OG1 3.21Å; N220-T282 VanDerWaalsContact ND2-OG1 3.15Å; T282-I284 HydrophobicContact CG2-CG1 4Å |
| 283 | L | 92.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.8 | 165 | -177.3 | 67.8 | 0 | 0 | 0 | 108.3 | F178 L200 P201 Y216 L231 P263 F281 S307 V308 I310 | F178-L283 HydrophobicContact CE1-CD2 3.59Å; F178-L283 HydrophobicContact CE1-CG 4.09Å; F178-L283 HydrophobicContact CZ-CB 4.48Å; F178-L283 HydrophobicContact CZ-CD2 3.85Å; F178-L283 HydrophobicContact CZ-CG 3.79Å; L200-L283 HydrophobicContact CB-CD2 4.07Å; L200-L283 HydrophobicContact CD1-CD1 4.05Å; L200-L283 HydrophobicContact CD1-CD2 4.09Å; P201-L283 HydrophobicContact CG-CD2 4.15Å; Y216-L283 HydrophobicContact CD1-CD1 4.42Å; L231-L283 HydrophobicContact CD1-CD1 4.3Å; L231-L283 HydrophobicContact CD2-CD1 4.49Å; P263-L283 HydrophobicContact CG-CD2 4.39Å; F281-L283 HydrophobicContact CE2-CB 4.09Å; L283-S307 CarbonylContact O-C 3.57Å; L283-S307 WeakPolarHBondContact O-CA 3.39Å; L283-V308 HydrophobicContact CB-CG1 3.93Å; L283-V308 HydrophobicContact CD2-CG1 4.19Å; L283-V308 HydrophobicContact CG-CG1 4.47Å; L283-V308 PolarHBondContact N-O 2.88Å; L283-V308 PolarHBondContact O-N 3.35Å; L283-I310 HydrophobicContact CB-CG1 3.84Å |
| 284 | I | 92.6 | Very high | 80.4 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.3 | 176.2 | -65.5 | -172.8 | 0 | 0 | 0 | 108.7 | Y216 R217 I219 T282 I286 T305 G306 | Y216-I284 CarbonylContact C-O 3.57Å; Y216-I284 VanDerWaalsContact CA-O 3.29Å; Y216-I284 WeakPolarHBondContact CA-O 3.47Å; R217-I284 PolarHBondContact N-O 2.94Å; R217-I284 PolarHBondContact O-N 3.4Å; I219-I284 HydrophobicContact CD1-CD1 3.45Å; I219-I284 VanDerWaalsContact CD1-CD1 3.45Å; I219-I284 HydrophobicContact CD1-CG1 4.48Å; I219-I284 HydrophobicContact CG1-CD1 3.74Å; I219-I284 HydrophobicContact CG1-CG1 4.27Å; T282-I284 HydrophobicContact CG2-CG1 4Å; I284-I286 HydrophobicContact CG2-CG1 3.85Å; I284-T305 HydrophobicContact CG2-CG2 4.21Å; I284-G306 CarbonylContact C-O 3.38Å; I284-G306 VanDerWaalsContact CA-O 3.3Å; I284-G306 WeakPolarHBondContact CA-O 3.46Å; I284-G306 WeakPolarHBondContact CG2-O 3.46Å |
| 285 | A | 91.8 | Very high | 78 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | P176 F178 A203 V213 Y216 T305 G306 | P176-A285 HydrophobicContact CB-CB 3.71Å; P176-A285 HydrophobicContact CG-CB 4.42Å; F178-A285 HydrophobicContact CE1-CB 4.42Å; F178-A285 HydrophobicContact CE2-CB 3.79Å; F178-A285 HydrophobicContact CZ-CB 3.59Å; A203-A285 HydrophobicContact CB-CB 3.44Å; A203-A285 VanDerWaalsContact CB-CB 3.44Å; V213-A285 HydrophobicContact CG1-CB 3.86Å; Y216-A285 HydrophobicContact CD1-CB 4.04Å; Y216-A285 HydrophobicContact CE1-CB 3.82Å; A285-T305 CarbonylContact O-C 3.55Å; A285-T305 VanDerWaalsContact O-CA 3.24Å; A285-T305 WeakPolarHBondContact O-CA 3.22Å; A285-G306 PolarHBondContact N-O 2.8Å; A285-G306 PolarHBondContact O-N 2.68Å |
| 286 | I | 90.5 | Very high | 75.8 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.3 | 178.2 | -46.4 | -179.6 | 0 | 0 | 0 | 107.3 | V213 A214 E215 R217 I284 A303 T305 | V213-I286 CarbonylContact C-O 3.52Å; A214-I286 PolarHBondContact N-O 3.45Å; E215-I286 HydrophobicContact CB-CB 4.33Å; E215-I286 PolarHBondContact N-O 3.41Å; E215-I286 VanDerWaalsContact N-O 3.14Å; E215-I286 PolarHBondContact O-N 3.18Å; R217-I286 HydrophobicContact CG-CD1 4.18Å; R217-I286 VanDerWaalsContact CZ-CD1 3.45Å; I284-I286 HydrophobicContact CG2-CG1 3.85Å; I286-A303 HydrophobicContact CG2-CB 4.22Å; I286-T305 HydrophobicContact CG1-CG2 4.16Å; I286-T305 HydrophobicContact CG2-CG2 4.31Å |
| 287 | D | 88.9 | Confident | 73.8 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | trans | -74.6 | -178.2 | 175.3 | 60.4 | 26.3 | 0 | 0 | 0 | 113.1 | N172 P176 F211 N212 A214 G289 A303 L304 | N172-D287 PolarHBondContact ND2-OD2 3.38Å; P176-D287 HydrophobicContact CG-CB 3.97Å; F211-D287 VanDerWaalsContact O-CB 3.3Å; F211-D287 WeakPolarHBondContact O-CB 3.2Å; N212-D287 CarbonylContact O-C 3.58Å; A214-D287 WeakPolarHBondContact CB-O 3.49Å; D287-G289 PolarHBondContact O-N 2.77Å; D287-G289 WeakPolarHBondContact OD1-CA 3.2Å; D287-G289 PolarHBondContact OD1-N 3.04Å; D287-A303 WeakPolarHBondContact OD1-CA 3.43Å; D287-A303 WeakPolarHBondContact OD1-CB 3.15Å; D287-L304 VanDerWaalsContact CG-N 3.29Å; D287-L304 PolarHBondContact N-O 3.43Å; D287-L304 PolarHBondContact OD1-N 3.12Å; D287-L304 VanDerWaalsContact OD2-CA 3.23Å; D287-L304 WeakPolarHBondContact OD2-CA 3.26Å; D287-L304 WeakPolarHBondContact OD2-CB 3.29Å; D287-L304 PolarHBondContact OD2-N 2.76Å | ||
| 288 | G | 83.3 | Confident | 72.1 | Confident | 7 Ų | 7 | 53 Ų | 53 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -74.9 | -2.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q210 N212 N291 | Q210-G288 WeakPolarHBondContact O-CA 3.5Å; N212-G288 PolarHBondContact O-N 3.34Å; G288-N291 WeakPolarHBondContact O-CB 3.46Å; G288-N291 PolarHBondContact O-ND2 3.44Å |
| 289 | G | 75.4 | Confident | 70.6 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 159.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | N172 D287 N291 | N172-G289 WeakPolarHBondContact OD1-CA 3.47Å; N172-G289 PolarHBondContact OD1-N 3.09Å; N172-G289 VanDerWaalsContact OD1-N 3.13Å; D287-G289 PolarHBondContact O-N 2.77Å; D287-G289 WeakPolarHBondContact OD1-CA 3.2Å; D287-G289 PolarHBondContact OD1-N 3.04Å; G289-N291 PolarHBondContact O-N 3.48Å; G289-N291 PolarHBondContact O-ND2 2.87Å |
| 290 | G | 67.8 | Low | 69.1 | Low | 52 Ų | 52 | 60.9 Ų | 60.9 | 54% | 0.536 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | -16 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | I292 N301 | G290-I292 PolarHBondContact O-N 2.84Å; G290-N301 WeakPolarHBondContact CA-O 3.27Å; G290-N301 PolarHBondContact N-O 3.39Å |
| 291 | N | 60.9 | Low | 67.9 | Low | 122 Ų | 122 | 63 Ų | 63 | 65% | 0.652 | 38% | 0.377 | S | S | * | . | trans | -74.8 | -3.9 | 177.6 | -65.9 | -63.1 | 0 | 0 | 0 | 114.1 | G288 G289 P293 | G288-N291 WeakPolarHBondContact O-CB 3.46Å; G288-N291 PolarHBondContact O-ND2 3.44Å; G289-N291 PolarHBondContact O-N 3.48Å; G289-N291 PolarHBondContact O-ND2 2.87Å; N291-P293 WeakPolarHBondContact O-CD 3.45Å | ||
| 292 | I | 54.8 | Low | 67.2 | Low | 78 Ų | 78 | 69.2 Ų | 69.2 | 40% | 0.4 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -105.2 | 105.8 | 178.5 | -52.4 | -179.6 | 0 | 0 | 0 | 109.9 | F211 G290 | F211-I292 HydrophobicContact CE1-CD1 3.59Å; F211-I292 HydrophobicContact CE1-CG1 4.48Å; F211-I292 HydrophobicContact CZ-CD1 3.81Å; G290-I292 PolarHBondContact O-N 2.84Å |
| 293 | P | 47.2 | Very low | 66.9 | Low | 104 Ų | 104 | 69.9 Ų | 69.9 | 68% | 0.675 | 41% | 0.411 | S | S | * | . | trans | -84.8 | 152.3 | 176.7 | 34.2 | -35.1 | 0 | 0 | 0 | 112.6 | N291 | N291-P293 WeakPolarHBondContact O-CD 3.45Š| ||
| 294 | V | 44.8 | Very low | 66.8 | Low | 139 Ų | 139 | 72.4 Ų | 72.4 | 84% | 0.842 | 43% | 0.425 | S | S | * | . | trans | 75 | 127.8 | 172.4 | -169.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 295 | S | 37.3 | Very low | 66.7 | Low | 83 Ų | 83 | 75 Ų | 75 | 58% | 0.58 | 44% | 0.442 | S | S | * | . | cis | -156.6 | 154.8 | 0.5 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | T297 | S295-T297 PolarHBondContact O-N 2.83Š| ||
| 296 | N | 41.8 | Very low | 66.7 | Low | 161 Ų | 161 | 75.3 Ų | 75.3 | 86% | 0.861 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 72.7 | 6.2 | 154 | -64.5 | -3.6 | 0 | 0 | 0 | 120.6 | ||
| 297 | T | 44.5 | Very low | 66.7 | Low | 99 Ų | 99 | 78.2 Ų | 78.2 | 61% | 0.607 | 47% | 0.467 | S | S | * | . | trans | -128.1 | 120.3 | 162.7 | 41.2 | 0 | 0 | 0 | 0 | 110.2 | S295 D299 | S295-T297 PolarHBondContact O-N 2.83Å; T297-D299 PolarHBondContact O-N 3.3Å | ||
| 298 | P | 49.2 | Very low | 66.8 | Low | 124 Ų | 124 | 79.1 Ų | 79.1 | 81% | 0.805 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -70.5 | -28.1 | -166.9 | -24.7 | 35.8 | 0 | 0 | 0 | 117.3 | ||
| 299 | D | 57.9 | Low | 67.1 | Low | 124 Ų | 124 | 82.6 Ų | 82.6 | 66% | 0.663 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -115.9 | -11.3 | -162 | -64.9 | -71.2 | 0 | 0 | 0 | 115.8 | T297 N301 | T297-D299 PolarHBondContact O-N 3.3Å; D299-N301 PolarHBondContact O-N 3.44Å |
| 300 | M | 57.9 | Low | 67.8 | Low | 89 Ų | 89 | 82.6 Ų | 82.6 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -21.2 | -164.2 | -58.4 | -60 | -64.4 | 0 | 0 | 115.9 | I171 | I171-M300 HydrophobicContact CD1-CE 4.11Å; I171-M300 HydrophobicContact CG2-CE 4.49Å |
| 301 | N | 66 | Low | 68.9 | Low | 60 Ų | 60 | 82.8 Ų | 82.8 | 32% | 0.321 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 37 | -177.9 | -68 | 13.8 | 0 | 0 | 0 | 111.1 | G290 D299 | G290-N301 WeakPolarHBondContact CA-O 3.27Å; G290-N301 PolarHBondContact N-O 3.39Å; D299-N301 PolarHBondContact O-N 3.44Å |
| 302 | K | 76.6 | Confident | 70.2 | Confident | 134 Ų | 134 | 77 Ų | 77 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 134.6 | -177.6 | 179.9 | -170.5 | 170.1 | -169 | 0 | 110.4 | L304 | K302-L304 PolarHBondContact O-N 3.06Š|
| 303 | A | 83.9 | Confident | 71.9 | Confident | 36 Ų | 36 | 77.4 Ų | 77.4 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 126.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | I286 D287 | I286-A303 HydrophobicContact CG2-CB 4.22Å; D287-A303 WeakPolarHBondContact OD1-CA 3.43Å; D287-A303 WeakPolarHBondContact OD1-CB 3.15Å |
| 304 | L | 89.4 | Confident | 73.9 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -100 | 165.9 | 170.6 | -46.7 | 174.6 | 0 | 0 | 0 | 109.5 | P175 D287 K302 | P175-L304 HydrophobicContact CB-CB 3.89Å; P175-L304 HydrophobicContact CB-CD1 4.17Å; D287-L304 VanDerWaalsContact CG-N 3.29Å; D287-L304 PolarHBondContact N-O 3.43Å; D287-L304 PolarHBondContact OD1-N 3.12Å; D287-L304 VanDerWaalsContact OD2-CA 3.23Å; D287-L304 WeakPolarHBondContact OD2-CA 3.26Å; D287-L304 WeakPolarHBondContact OD2-CB 3.29Å; D287-L304 PolarHBondContact OD2-N 2.76Å; K302-L304 PolarHBondContact O-N 3.06Å |
| 305 | T | 91.3 | Very high | 76.1 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 127.6 | -172.9 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | I284 A285 I286 | I284-T305 HydrophobicContact CG2-CG2 4.21Å; A285-T305 CarbonylContact O-C 3.55Å; A285-T305 VanDerWaalsContact O-CA 3.24Å; A285-T305 WeakPolarHBondContact O-CA 3.22Å; I286-T305 HydrophobicContact CG1-CG2 4.16Å; I286-T305 HydrophobicContact CG2-CG2 4.31Å |
| 306 | G | 90.6 | Very high | 78.6 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 150.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P176 I284 A285 | P176-G306 WeakPolarHBondContact O-CA 3.43Å; P176-G306 PolarHBondContact O-N 3.03Å; I284-G306 CarbonylContact C-O 3.38Å; I284-G306 VanDerWaalsContact CA-O 3.3Å; I284-G306 WeakPolarHBondContact CA-O 3.46Å; I284-G306 WeakPolarHBondContact CG2-O 3.46Å; A285-G306 PolarHBondContact N-O 2.8Å; A285-G306 PolarHBondContact O-N 2.68Å |
| 307 | S | 92.2 | Very high | 81 | Confident | 81 Ų | 81 | 58 Ų | 58 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 144.8 | 174 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | L283 | L283-S307 CarbonylContact O-C 3.57Å; L283-S307 WeakPolarHBondContact O-CA 3.39Å |
| 308 | V | 91.1 | Very high | 83.3 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 136.7 | 173.5 | 65.6 | 0 | 0 | 0 | 0 | 110 | F178 L181 P201 L283 I310 | F178-V308 HydrophobicContact CB-CB 4.01Å; F178-V308 HydrophobicContact CB-CG1 4.13Å; F178-V308 HydrophobicContact CD1-CB 4.49Å; F178-V308 HydrophobicContact CD1-CG1 3.72Å; F178-V308 HydrophobicContact CD2-CB 3.76Å; F178-V308 HydrophobicContact CD2-CG1 3.62Å; F178-V308 HydrophobicContact CE1-CG1 3.94Å; F178-V308 HydrophobicContact CE2-CB 4.34Å; F178-V308 HydrophobicContact CE2-CG1 3.85Å; F178-V308 HydrophobicContact CG-CB 3.84Å; F178-V308 HydrophobicContact CG-CG1 3.54Å; F178-V308 HydrophobicContact CZ-CG1 4.01Å; L181-V308 HydrophobicContact CD1-CG2 3.78Å; L181-V308 HydrophobicContact CG-CG2 4.12Å; P201-V308 HydrophobicContact CG-CG1 3.99Å; L283-V308 HydrophobicContact CB-CG1 3.93Å; L283-V308 HydrophobicContact CD2-CG1 4.19Å; L283-V308 HydrophobicContact CG-CG1 4.47Å; L283-V308 PolarHBondContact N-O 2.88Å; L283-V308 PolarHBondContact O-N 3.35Å; V308-I310 HydrophobicContact CG1-CD1 3.99Å |
| 309 | S | 89.8 | Confident | 85.3 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 55% | 0.552 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124 | 173.5 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 310 | I | 89.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134 | 172.5 | -54.1 | -59.5 | 0 | 0 | 0 | 108.3 | L181 I186 L200 P201 S280 F281 L283 V308 I312 | L181-I310 HydrophobicContact CD1-CD1 4.42Å; I186-I310 HydrophobicContact CD1-CG2 4.08Å; L200-I310 HydrophobicContact CD2-CG1 4.43Å; L200-I310 HydrophobicContact CD2-CG2 4.1Å; P201-I310 HydrophobicContact CG-CD1 3.82Å; S280-I310 WeakPolarHBondContact CA-O 3.47Å; F281-I310 HydrophobicContact CD1-CB 4.18Å; F281-I310 HydrophobicContact CD1-CG2 4.4Å; F281-I310 HydrophobicContact CD2-CB 4.29Å; F281-I310 HydrophobicContact CD2-CG1 4.48Å; F281-I310 HydrophobicContact CE1-CB 3.71Å; F281-I310 HydrophobicContact CE1-CG2 3.58Å; F281-I310 HydrophobicContact CE2-CB 3.86Å; F281-I310 HydrophobicContact CE2-CG1 3.82Å; F281-I310 HydrophobicContact CE2-CG2 4.38Å; F281-I310 HydrophobicContact CG-CB 4.45Å; F281-I310 HydrophobicContact CZ-CB 3.54Å; F281-I310 HydrophobicContact CZ-CG1 3.83Å; F281-I310 HydrophobicContact CZ-CG2 3.57Å; F281-I310 PolarHBondContact N-O 2.97Å; F281-I310 PolarHBondContact O-N 2.82Å; L283-I310 HydrophobicContact CB-CG1 3.84Å; V308-I310 HydrophobicContact CG1-CD1 3.99Å; I310-I312 HydrophobicContact CG2-CG1 4.42Å |
| 311 | I | 89.5 | Confident | 88.5 | Confident | 57 Ų | 57 | 48.3 Ų | 48.3 | 29% | 0.292 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.7 | 170.6 | -56.5 | 178.9 | 0 | 0 | 0 | 107.1 | Y185 I186 L278 Y279 | Y185-I311 CarbonylContact C-O 3.52Å; Y185-I311 WeakPolarHBondContact CA-O 3Å; I186-I311 PolarHBondContact N-O 2.91Å; L278-I311 HydrophobicContact CD1-CG2 3.61Å; L278-I311 HydrophobicContact CG-CG2 4.22Å; Y279-I311 WeakPolarHBondContact O-CA 3.43Å |
| 312 | I | 89.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.4 | 170.5 | -75.9 | 166.1 | 0 | 0 | 0 | 106.7 | I186 I188 L265 Y279 F281 I310 I314 | I186-I312 HydrophobicContact CB-CG1 4.14Å; I186-I312 HydrophobicContact CD1-CG1 4.46Å; I186-I312 WeakPolarHBondContact O-CA 3.13Å; I188-I312 HydrophobicContact CD1-CB 4.5Å; I188-I312 HydrophobicContact CD1-CD1 4.18Å; I188-I312 HydrophobicContact CD1-CG1 4.08Å; I188-I312 HydrophobicContact CD1-CG2 3.7Å; L265-I312 HydrophobicContact CD1-CD1 3.66Å; Y279-I312 HydrophobicContact CD2-CG2 4.46Å; Y279-I312 PolarHBondContact N-O 2.8Å; Y279-I312 PolarHBondContact O-N 3.13Å; F281-I312 HydrophobicContact CE1-CD1 4.14Å; I310-I312 HydrophobicContact CG2-CG1 4.42Å; I312-I314 HydrophobicContact CG2-CD1 3.85Å |
| 313 | K | 88.8 | Confident | 90.6 | Very high | 87 Ų | 87 | 43 Ų | 43 | 38% | 0.378 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.4 | 169.8 | 179.6 | 173.8 | -179 | 179.7 | 0 | 109.2 | I186 V187 I188 L278 | I186-K313 PolarHBondContact O-N 3.02Å; V187-K313 WeakPolarHBondContact CA-O 3.28Å; I188-K313 PolarHBondContact N-O 3.38Å; I188-K313 VanDerWaalsContact N-O 3.09Å; L278-K313 HydrophobicContact CD1-CB 4.23Å |
| 314 | I | 90.1 | Very high | 91 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135.2 | 172 | -50.9 | -50.2 | 0 | 0 | 0 | 109.3 | I188 E190 L271 R273 D277 Y279 I312 | I188-I314 HydrophobicContact CG2-CD1 4.46Å; I188-I314 CarbonylContact O-C 3.57Å; I188-I314 VanDerWaalsContact O-CA 3.28Å; I188-I314 WeakPolarHBondContact O-CA 3.39Å; E190-I314 HydrophobicContact CB-CG2 3.79Å; L271-I314 HydrophobicContact CD1-CD1 3.87Å; R273-I314 HydrophobicContact CB-CB 4.3Å; R273-I314 HydrophobicContact CB-CG2 3.79Å; R273-I314 HydrophobicContact CG-CB 4.05Å; R273-I314 HydrophobicContact CG-CG2 4.01Å; D277-I314 PolarHBondContact O-N 3.48Å; Y279-I314 HydrophobicContact CD2-CD1 4Å; Y279-I314 HydrophobicContact CD2-CG1 4.01Å; Y279-I314 HydrophobicContact CE2-CD1 3.9Å; Y279-I314 HydrophobicContact CE2-CG1 3.7Å; I312-I314 HydrophobicContact CG2-CD1 3.85Å |
| 315 | S | 90.6 | Very high | 91 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126.1 | 175.9 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | I188 R189 | I188-S315 PolarHBondContact O-N 2.75Å; I188-S315 PolarHBondContact O-OG 2.83Å; R189-S315 WeakPolarHBondContact CA-O 3.48Å; R189-S315 WeakPolarHBondContact CA-OG 3.3Å; R189-S315 WeakPolarHBondContact CG-OG 3.09Å; R189-S315 PolarHBondContact N-OG 2.69Å |
| 316 | D | 91.1 | Very high | 91 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.134 | 25% | 0.25 | C | C | . | . | trans | -50 | 138.5 | -175.4 | -165.7 | 87.8 | 0 | 0 | 0 | 115.4 | E190 R273 D351 I352 N355 | E190-D316 VanDerWaalsContact OE1-C 3.31Å; E190-D316 WeakPolarHBondContact OE1-CA 3.46Å; R273-D316 IonicContact CZ-OD1 3.46Å; R273-D316 IonicContact NE-OD1 3.85Å; R273-D316 PolarHBondContact NE-OD1 2.81Å; R273-D316 IonicContact NH2-OD1 2.73Å; R273-D316 PolarHBondContact NH2-OD1 2.85Å; D316-D351 WeakPolarHBondContact OD1-CA 3.41Å; D316-I352 HydrophobicContact CB-CD1 4.24Å; D316-I352 HydrophobicContact CB-CG1 3.61Å; D316-I352 VanDerWaalsContact CG-CG1 3.46Å; D316-I352 VanDerWaalsContact OD1-CG1 3.22Å; D316-I352 WeakPolarHBondContact OD1-CG1 3.39Å; D316-I352 PolarHBondContact OD1-N 2.89Å; D316-I352 PolarHBondContact OD2-N 2.77Å; D316-N355 WeakPolarHBondContact OD2-CB 3.07Å; D316-N355 PolarHBondContact OD2-ND2 3.28Å | ||
| 317 | V | 91.2 | Very high | 91 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | trans | -128.3 | 143.6 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | R189 E190 D191 D319 | R189-V317 HydrophobicContact CB-CG2 4.2Å; E190-V317 HydrophobicContact CG-CB 4.01Å; E190-V317 HydrophobicContact CG-CG2 3.92Å; E190-V317 PolarHBondContact OE1-N 3.24Å; D191-V317 HydrophobicContact CB-CG1 4.31Å; D191-V317 HydrophobicContact CB-CG2 4.18Å; V317-D319 PolarHBondContact O-N 2.77Å | ||
| 318 | N | 92.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -78.8 | 92.9 | -177 | -156.6 | 82.5 | 0 | 0 | 0 | 110.8 | D351 N355 D436 G438 P440 L442 | N318-D351 VanDerWaalsContact CA-OD2 3.26Å; N318-D351 WeakPolarHBondContact CA-OD2 3.37Å; N318-N355 HydrophobicContact CB-CB 4.07Å; N318-N355 PolarHBondContact N-ND2 3.09Å; N318-N355 VanDerWaalsContact OD1-C 3.26Å; N318-N355 WeakPolarHBondContact OD1-CA 3.16Å; N318-N355 WeakPolarHBondContact OD1-CB 3.42Å; N318-N355 PolarHBondContact OD1-O 2.77Å; N318-D436 PolarHBondContact ND2-OD2 3.21Å; N318-G438 WeakPolarHBondContact OD1-CA 3.41Å; N318-P440 PolarHBondContact ND2-O 3.09Å; N318-L442 WeakPolarHBondContact ND2-CG 3.39Å |
| 319 | D | 91.2 | Very high | 91.2 | Very high | 98 Ų | 98 | 49.7 Ų | 49.7 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | trans | -130.8 | -15.4 | -176.4 | 103.6 | -18.2 | 0 | 0 | 0 | 114.7 | V317 D351 | V317-D319 PolarHBondContact O-N 2.77Å; D319-D351 PolarHBondContact N-OD2 3.06Å | ||
| 320 | N | 91.5 | Very high | 91.4 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -91.4 | 140.6 | 170.6 | -67.2 | -91.1 | 0 | 0 | 0 | 111.4 | R350 D351 L442 | N320-R350 HydrophobicContact CB-CB 3.88Å; N320-R350 HydrophobicContact CB-CG 4.45Å; N320-D351 VanDerWaalsContact CB-OD1 3.26Å; N320-D351 WeakPolarHBondContact CB-OD1 3.12Å; N320-D351 PolarHBondContact N-OD2 2.73Å; N320-D351 VanDerWaalsContact N-OD2 3.12Å; N320-D351 PolarHBondContact ND2-OD1 2.73Å; N320-L442 WeakPolarHBondContact O-CD1 3.47Å |
| 321 | H | 92.4 | Very high | 91.5 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | trans | -86.9 | 139.3 | 174.7 | -75.9 | -120.7 | 0 | 0 | 0 | 111.1 | T323 S443 | H321-T323 PolarHBondContact O-N 2.85Å; H321-T323 VanDerWaalsContact O-N 3.09Å; H321-T323 PolarHBondContact O-OG1 3.1Å; H321-S443 PolarHBondContact ND1-O 3.17Å | ||
| 322 | P | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -60.3 | 114.9 | 172.1 | 21.8 | -32.6 | 0 | 0 | 0 | 110.5 | L347 D349 V358 A434 D436 S444 | P322-L347 HydrophobicContact CB-CD1 4.42Å; P322-D349 WeakPolarHBondContact CA-OD2 3.18Å; P322-D349 VanDerWaalsContact CB-OD2 3.28Å; P322-D349 WeakPolarHBondContact CB-OD2 3.43Å; P322-D349 WeakPolarHBondContact CD-OD2 3.26Å; P322-V358 HydrophobicContact CB-CB 4.38Å; P322-V358 HydrophobicContact CB-CG1 3.63Å; P322-V358 HydrophobicContact CB-CG2 3.71Å; P322-V358 HydrophobicContact CG-CG1 4.18Å; P322-A434 HydrophobicContact CB-CB 4.19Å; P322-A434 HydrophobicContact CG-CB 4.3Å; P322-D436 HydrophobicContact CG-CB 4.35Å; P322-S444 WeakPolarHBondContact O-CB 3.47Å; P322-S444 PolarHBondContact O-OG 3.09Å | ||
| 323 | T | 92.5 | Very high | 91.6 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.7 | -164.6 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | H321 I348 | H321-T323 PolarHBondContact O-N 2.85Å; H321-T323 VanDerWaalsContact O-N 3.09Å; H321-T323 PolarHBondContact O-OG1 3.1Å; T323-I348 PolarHBondContact N-O 3.35Å; T323-I348 PolarHBondContact O-N 2.81Å |
| 324 | F | 92.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 145.4 | 172.9 | -67.1 | -88.4 | 0 | 0 | 0 | 111.2 | Q326 F345 L347 I360 L432 A434 S444 C446 | F324-Q326 PolarHBondContact O-N 3.37Å; F324-F345 HydrophobicContact CD1-CD2 4.01Å; F324-F345 HydrophobicContact CD1-CE2 4.42Å; F324-F345 AromaticContact CE1-CD2 3.95Å; F324-F345 HydrophobicContact CE1-CD2 3.95Å; F324-F345 AromaticContact CE1-CE2 3.92Å; F324-F345 HydrophobicContact CE1-CE2 3.92Å; F324-L347 HydrophobicContact CD1-CD1 3.92Å; F324-L347 HydrophobicContact CD2-CD1 4.02Å; F324-L347 HydrophobicContact CE1-CD1 4.11Å; F324-L347 HydrophobicContact CE2-CD1 4.2Å; F324-L347 HydrophobicContact CG-CD1 3.88Å; F324-L347 HydrophobicContact CZ-CD1 4.24Å; F324-I360 HydrophobicContact CZ-CG2 4.3Å; F324-L432 HydrophobicContact CE1-CB 4.3Å; F324-L432 HydrophobicContact CZ-CB 3.89Å; F324-A434 HydrophobicContact CE2-CB 3.64Å; F324-A434 HydrophobicContact CZ-CB 3.77Å; F324-S444 WeakPolarHBondContact CD2-OG 3.26Å; F324-C446 HydrophobicContact CB-CB 4.3Å; F324-C446 HydrophobicContact CD1-CB 4.42Å; F324-C446 VanDerWaalsContact CD1-SG 3.58Å; F324-C446 HydrophobicContact CD2-CB 3.96Å; F324-C446 VanDerWaalsContact CE1-SG 3.56Å; F324-C446 HydrophobicContact CE2-CB 4.36Å; F324-C446 HydrophobicContact CG-CB 4Å |
| 325 | E | 89.6 | Confident | 91.4 | Very high | 118 Ų | 118 | 57.4 Ų | 57.4 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -61.1 | -28.6 | 175.5 | -179.8 | 178.7 | -141.4 | 0 | 0 | 113.6 | V346 | E325-V346 HydrophobicContact CB-CB 4.12Å; E325-V346 PolarHBondContact N-O 3.29Å |
| 326 | Q | 90.2 | Very high | 91 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | trans | -135.2 | 140.3 | 178.5 | -50.9 | -177.7 | 37.6 | 0 | 0 | 110.7 | F324 A328 Y329 C446 | F324-Q326 PolarHBondContact O-N 3.37Å; Q326-A328 PolarHBondContact O-N 2.98Å; Q326-Y329 HydrophobicContact CB-CE1 3.96Å; Q326-Y329 HydrophobicContact CB-CE2 3.99Å; Q326-Y329 HydrophobicContact CG-CE1 3.96Å; Q326-Y329 PolarHBondContact N-OH 3.12Å; Q326-Y329 WeakPolarHBondContact O-CE2 3.37Å; Q326-C446 WeakPolarHBondContact O-CB 3.49Å | ||
| 327 | N | 90.9 | Very high | 90.5 | Very high | 145 Ų | 145 | 60.1 Ų | 60.1 | 78% | 0.775 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -70.2 | -20.3 | 178.5 | -64.9 | -4.2 | 0 | 0 | 0 | 113.1 | C446 E447 | N327-C446 CarbonylContact O-C 3.55Å; N327-C446 VanDerWaalsContact O-CA 3.26Å; N327-C446 WeakPolarHBondContact O-CA 3.37Å; N327-C446 WeakPolarHBondContact O-CB 3.26Å; N327-E447 PolarHBondContact O-N 3.41Å |
| 328 | A | 93.5 | Very high | 89.6 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 141.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | Q326 E447 | Q326-A328 PolarHBondContact O-N 2.98Å; A328-E447 CarbonylContact C-O 3.51Å; A328-E447 WeakPolarHBondContact CA-O 3.16Å; A328-E447 HydrophobicContact CB-CB 3.92Å |
| 329 | Y | 94.7 | Very high | 88.4 | Confident | 13 Ų | 13 | 68.6 Ų | 68.6 | 5% | 0.051 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 146.9 | 174.8 | -63.7 | -94 | 0 | 0 | 0 | 110.7 | Q326 I343 F345 C446 E447 I448 Q449 | Q326-Y329 HydrophobicContact CB-CE1 3.96Å; Q326-Y329 HydrophobicContact CB-CE2 3.99Å; Q326-Y329 HydrophobicContact CG-CE1 3.96Å; Q326-Y329 PolarHBondContact N-OH 3.12Å; Q326-Y329 WeakPolarHBondContact O-CE2 3.37Å; Y329-I343 HydrophobicContact CD1-CG2 3.82Å; Y329-I343 HydrophobicContact CG-CG2 3.83Å; Y329-F345 HydrophobicContact CD1-CB 4.48Å; Y329-F345 HydrophobicContact CE1-CB 3.76Å; Y329-F345 HydrophobicContact CE2-CB 3.86Å; Y329-F345 WeakPolarHBondContact OH-CB 3.18Å; Y329-C446 HydrophobicContact CD2-CB 4.46Å; Y329-C446 HydrophobicContact CE2-CB 4.38Å; Y329-E447 PolarHBondContact N-O 3.4Å; Y329-I448 HydrophobicContact CD2-CD1 4.19Å; Y329-I448 HydrophobicContact CG-CD1 4.48Å; Y329-Q449 PolarHBondContact O-N 2.71Å |
| 330 | R | 94 | Very high | 87.5 | Confident | 193 Ų | 193 | 66 Ų | 66 | 73% | 0.728 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138 | -178.6 | -62.9 | -170.4 | 165.4 | 147.5 | 4.8 | 111.2 | Q449 | R330-Q449 WeakPolarHBondContact CA-O 3.39Å; R330-Q449 HydrophobicContact CG-CB 4.29Å; R330-Q449 VanDerWaalsContact NH2-OE1 3.07Å |
| 331 | A | 91.4 | Very high | 87.1 | Confident | 15 Ų | 15 | 68 Ų | 68 | 12% | 0.124 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V333 I343 Q449 I450 R451 | A331-V333 HydrophobicContact CB-CG2 4.09Å; A331-I343 HydrophobicContact CB-CD1 4.2Å; A331-I343 HydrophobicContact CB-CG1 3.84Å; A331-Q449 PolarHBondContact N-O 3.26Å; A331-I450 WeakPolarHBondContact O-CA 3.33Å; A331-R451 PolarHBondContact O-N 2.76Å |
| 332 | E | 91.1 | Very high | 86.9 | Confident | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.7 | 166 | -49 | -160 | 134.4 | 0 | 0 | 106.9 | R451 I453 | E332-R451 WeakPolarHBondContact CA-O 3.23Å; E332-R451 HydrophobicContact CB-CB 4.25Å; E332-R451 HydrophobicContact CG-CB 4Å; E332-R451 VanDerWaalsContact OE1-CD 3.3Å; E332-R451 WeakPolarHBondContact OE1-CD 3.48Å; E332-R451 IonicContact OE1-CZ 3.11Å; E332-R451 IonicContact OE1-NE 2.78Å; E332-R451 PolarHBondContact OE1-NE 2.94Å; E332-R451 IonicContact OE1-NH2 3.14Å; E332-I453 HydrophobicContact CB-CD1 3.96Å; E332-I453 HydrophobicContact CB-CG1 4.25Å |
| 333 | V | 89.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 118.5 | -165.3 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | A331 I342 I415 L419 I450 R451 I452 I453 | A331-V333 HydrophobicContact CB-CG2 4.09Å; V333-I342 HydrophobicContact CG1-CG2 4.17Å; V333-I342 HydrophobicContact CG2-CB 4.08Å; V333-I342 HydrophobicContact CG2-CD1 4.44Å; V333-I342 HydrophobicContact CG2-CG2 3.77Å; V333-I415 HydrophobicContact CG1-CD1 3.93Å; V333-L419 HydrophobicContact CB-CD1 4.26Å; V333-L419 HydrophobicContact CG1-CD1 3.8Å; V333-I450 HydrophobicContact CB-CG2 4.28Å; V333-I450 HydrophobicContact CG2-CG2 3.91Å; V333-R451 PolarHBondContact N-O 3.06Å; V333-I452 CarbonylContact O-C 3.55Å; V333-I452 WeakPolarHBondContact O-CA 3.04Å; V333-I453 PolarHBondContact O-N 2.74Å |
| 334 | A | 87.9 | Confident | 86.8 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 138.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S337 V455 | A334-S337 WeakPolarHBondContact O-CB 3.39Å; A334-S337 PolarHBondContact O-N 3.38Å; A334-S337 PolarHBondContact O-OG 2.79Å; A334-V455 HydrophobicContact CB-CG2 3.95Å |
| 335 | E | 87.5 | Confident | 86.7 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 168.7 | 168.2 | 75.2 | -175.7 | 121.8 | 0 | 0 | 112 | S337 L419 D420 A421 I452 I453 N454 V455 | E335-S337 PolarHBondContact O-N 3.36Å; E335-L419 WeakPolarHBondContact CB-O 3.44Å; E335-D420 WeakPolarHBondContact OE2-CA 3.25Å; E335-A421 WeakPolarHBondContact OE1-CB 3.3Å; E335-A421 PolarHBondContact OE2-N 3.01Å; E335-I452 HydrophobicContact CB-CG2 4.07Å; E335-I453 PolarHBondContact N-O 3.31Å; E335-N454 WeakPolarHBondContact OE1-CA 3.29Å; E335-V455 HydrophobicContact CG-CB 3.96Å; E335-V455 HydrophobicContact CG-CG2 4.17Å; E335-V455 PolarHBondContact OE1-N 3.31Å |
| 336 | N | 82.3 | Confident | 86.8 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 4.7 | -167.7 | -69.5 | -68.4 | 0 | 0 | 0 | 115.5 | V338 L419 D457 | N336-V338 WeakPolarHBondContact O-CG2 3.47Å; N336-V338 PolarHBondContact O-N 2.72Å; N336-L419 PolarHBondContact N-O 2.89Å; N336-D457 PolarHBondContact ND2-OD2 3.18Å |
| 337 | S | 80.4 | Confident | 86.9 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | trans | -60.6 | 125.2 | 173.2 | -74.6 | 0 | 0 | 0 | 0 | 112.2 | A334 E335 I415 | A334-S337 WeakPolarHBondContact O-CB 3.39Å; A334-S337 PolarHBondContact O-N 3.38Å; A334-S337 PolarHBondContact O-OG 2.79Å; E335-S337 PolarHBondContact O-N 3.36Å; S337-I415 WeakPolarHBondContact O-CD1 3.35Å | ||
| 338 | V | 71.7 | Confident | 86.9 | Confident | 115 Ų | 115 | 52.7 Ų | 52.7 | 70% | 0.697 | 29% | 0.285 | S | S | * | . | trans | -108.1 | 121.8 | -173.9 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | N336 S340 | N336-V338 WeakPolarHBondContact O-CG2 3.47Å; N336-V338 PolarHBondContact O-N 2.72Å; V338-S340 PolarHBondContact O-N 2.79Å | ||
| 339 | N | 68 | Low | 86.8 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 52.6 | 21.8 | 164.7 | -67.5 | -31.9 | 0 | 0 | 0 | 116.9 | Q414 I415 | N339-Q414 PolarHBondContact O-NE2 3.09Å; N339-I415 PolarHBondContact OD1-O 2.87Å |
| 340 | S | 71.3 | Confident | 86.7 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 30% | 0.301 | 29% | 0.294 | S | S | . | . | trans | -79.9 | 144.8 | 173.4 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | V338 I342 Q414 | V338-S340 PolarHBondContact O-N 2.79Å; S340-I342 PolarHBondContact O-N 3.45Å; S340-Q414 WeakPolarHBondContact O-CG 3.34Å | ||
| 341 | P | 82.8 | Confident | 86.5 | Confident | 77 Ų | 77 | 47.9 Ų | 47.9 | 50% | 0.5 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 115.7 | 160.5 | 29.8 | -30.5 | 0 | 0 | 0 | 107.9 | L413 | P341-L413 CarbonylContact C-O 3.58Å; P341-L413 WeakPolarHBondContact CA-O 3.3Å |
| 342 | I | 88.9 | Confident | 86.4 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -24.9 | -175.2 | 51.2 | 168.7 | 0 | 0 | 0 | 112.8 | V333 S340 F373 L413 I415 I450 | V333-I342 HydrophobicContact CG1-CG2 4.17Å; V333-I342 HydrophobicContact CG2-CB 4.08Å; V333-I342 HydrophobicContact CG2-CD1 4.44Å; V333-I342 HydrophobicContact CG2-CG2 3.77Å; S340-I342 PolarHBondContact O-N 3.45Å; I342-F373 HydrophobicContact CD1-CD1 3.75Å; I342-F373 HydrophobicContact CD1-CE1 3.54Å; I342-F373 HydrophobicContact CD1-CZ 4.43Å; I342-L413 HydrophobicContact CD1-CD2 4.06Å; I342-L413 HydrophobicContact CD1-CG 4.45Å; I342-L413 HydrophobicContact CG1-CB 4.4Å; I342-L413 HydrophobicContact CG1-CD2 4.34Å; I342-L413 HydrophobicContact CG1-CG 4.42Å; I342-L413 WeakPolarHBondContact CG1-O 3.2Å; I342-L413 PolarHBondContact N-O 2.87Å; I342-I415 HydrophobicContact CD1-CG1 4.3Å; I342-I415 HydrophobicContact CG2-CD1 3.87Å; I342-I415 HydrophobicContact CG2-CG1 3.93Å; I342-I450 HydrophobicContact CD1-CD1 3.55Å; I342-I450 HydrophobicContact CD1-CG1 4.27Å |
| 343 | I | 91.8 | Very high | 86.2 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 129.5 | 173.8 | -62.4 | 174.6 | 0 | 0 | 0 | 107 | Y329 A331 S412 L413 I448 I450 | Y329-I343 HydrophobicContact CD1-CG2 3.82Å; Y329-I343 HydrophobicContact CG-CG2 3.83Å; A331-I343 HydrophobicContact CB-CD1 4.2Å; A331-I343 HydrophobicContact CB-CG1 3.84Å; I343-S412 CarbonylContact O-C 3.59Å; I343-S412 WeakPolarHBondContact O-CA 3.47Å; I343-S412 WeakPolarHBondContact O-CB 3.22Å; I343-L413 HydrophobicContact CB-CB 4.21Å; I343-L413 HydrophobicContact CD1-CD2 4.3Å; I343-L413 PolarHBondContact O-N 2.7Å; I343-I448 HydrophobicContact CD1-CD1 4.14Å; I343-I448 HydrophobicContact CD1-CG2 3.71Å; I343-I450 HydrophobicContact CD1-CG1 4.41Å |
| 344 | E | 91.4 | Very high | 86.1 | Confident | 111 Ų | 111 | 51.3 Ų | 51.3 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 144.2 | 162.7 | -61.7 | -160.1 | 125.5 | 0 | 0 | 109.1 | K410 G411 | E344-K410 WeakPolarHBondContact OE1-CE 3.33Å; E344-K410 IonicContact OE1-NZ 3.13Å; E344-K410 PolarHBondContact OE1-NZ 2.93Å; E344-K410 WeakPolarHBondContact OE2-CE 3.12Å; E344-K410 IonicContact OE2-NZ 3.33Å; E344-K410 PolarHBondContact OE2-NZ 3.28Å; E344-G411 WeakPolarHBondContact CA-O 3.11Å |
| 345 | F | 92.3 | Very high | 86.2 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.5 | 179.2 | 59.3 | -96.6 | 0 | 0 | 0 | 111.3 | F324 Y329 I360 I375 L377 G411 L432 | F324-F345 HydrophobicContact CD1-CD2 4.01Å; F324-F345 HydrophobicContact CD1-CE2 4.42Å; F324-F345 AromaticContact CE1-CD2 3.95Å; F324-F345 HydrophobicContact CE1-CD2 3.95Å; F324-F345 AromaticContact CE1-CE2 3.92Å; F324-F345 HydrophobicContact CE1-CE2 3.92Å; Y329-F345 HydrophobicContact CD1-CB 4.48Å; Y329-F345 HydrophobicContact CE1-CB 3.76Å; Y329-F345 HydrophobicContact CE2-CB 3.86Å; Y329-F345 WeakPolarHBondContact OH-CB 3.18Å; F345-I360 HydrophobicContact CE2-CD1 3.51Å; F345-I360 HydrophobicContact CZ-CD1 3.73Å; F345-I375 HydrophobicContact CE1-CG2 4.44Å; F345-I375 HydrophobicContact CZ-CG2 3.87Å; F345-L377 HydrophobicContact CE2-CD1 4.23Å; F345-G411 PolarHBondContact N-O 3.07Å; F345-G411 PolarHBondContact O-N 2.95Å; F345-L432 HydrophobicContact CD1-CD1 4.22Å; F345-L432 HydrophobicContact CE1-CD1 3.64Å; F345-L432 HydrophobicContact CZ-CD1 3.92Å |
| 346 | V | 91.5 | Very high | 86.3 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.8 | 170.7 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | E325 I348 L385 | E325-V346 HydrophobicContact CB-CB 4.12Å; E325-V346 PolarHBondContact N-O 3.29Å; V346-I348 HydrophobicContact CG1-CD1 4.43Å; V346-I348 HydrophobicContact CG1-CG1 4.05Å; V346-L385 HydrophobicContact CG1-CD1 4.46Å |
| 347 | L | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.2 | 177.8 | -178.7 | 70 | 0 | 0 | 0 | 107.9 | P322 F324 V358 I360 Y409 A434 | P322-L347 HydrophobicContact CB-CD1 4.42Å; F324-L347 HydrophobicContact CD1-CD1 3.92Å; F324-L347 HydrophobicContact CD2-CD1 4.02Å; F324-L347 HydrophobicContact CE1-CD1 4.11Å; F324-L347 HydrophobicContact CE2-CD1 4.2Å; F324-L347 HydrophobicContact CG-CD1 3.88Å; F324-L347 HydrophobicContact CZ-CD1 4.24Å; L347-V358 HydrophobicContact CD2-CB 4.19Å; L347-V358 HydrophobicContact CD2-CG1 3.69Å; L347-I360 HydrophobicContact CD2-CD1 3.56Å; L347-I360 HydrophobicContact CD2-CG1 3.87Å; L347-Y409 PolarHBondContact N-O 3.27Å; L347-Y409 PolarHBondContact O-N 2.93Å; L347-A434 HydrophobicContact CD1-CB 3.88Å; L347-A434 HydrophobicContact CD2-CB 3.99Å |
| 348 | I | 91.3 | Very high | 87.2 | Confident | 44 Ų | 44 | 51 Ų | 51 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128 | -175.1 | -54.6 | 176 | 0 | 0 | 0 | 108 | T323 V346 Y408 | T323-I348 PolarHBondContact N-O 3.35Å; T323-I348 PolarHBondContact O-N 2.81Å; V346-I348 HydrophobicContact CG1-CD1 4.43Å; V346-I348 HydrophobicContact CG1-CG1 4.05Å; I348-Y408 HydrophobicContact CB-CD1 4.47Å; I348-Y408 HydrophobicContact CB-CE1 4.43Å; I348-Y408 HydrophobicContact CD1-CD1 4.19Å; I348-Y408 HydrophobicContact CD1-CE1 4.05Å; I348-Y408 HydrophobicContact CG1-CD1 3.91Å; I348-Y408 HydrophobicContact CG1-CE1 4.1Å; I348-Y408 HydrophobicContact CG2-CD1 3.96Å; I348-Y408 HydrophobicContact CG2-CE1 3.54Å |
| 349 | D | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 148.3 | 163.5 | -149.2 | -47.4 | 0 | 0 | 0 | 108.3 | P322 D351 V358 G406 T407 | P322-D349 WeakPolarHBondContact CA-OD2 3.18Å; P322-D349 VanDerWaalsContact CB-OD2 3.28Å; P322-D349 WeakPolarHBondContact CB-OD2 3.43Å; P322-D349 WeakPolarHBondContact CD-OD2 3.26Å; D349-D351 PolarHBondContact OD1-N 3.3Å; D349-V358 HydrophobicContact CB-CG2 3.81Å; D349-G406 CarbonylContact O-C 3.51Å; D349-G406 VanDerWaalsContact O-CA 3.23Å; D349-G406 WeakPolarHBondContact O-CA 3.44Å; D349-T407 WeakPolarHBondContact CB-OG1 3.2Å; D349-T407 PolarHBondContact N-O 3.05Å; D349-T407 PolarHBondContact O-N 2.57Å |
| 350 | R | 90.7 | Very high | 89.4 | Confident | 143 Ų | 143 | 45.4 Ų | 45.4 | 54% | 0.54 | 24% | 0.243 | S | C | . | . | trans | -100.6 | -17.7 | -175.2 | -62.2 | -171.1 | 174.1 | 177.1 | -0.8 | 113.7 | R273 E274 N320 G406 | R273-R350 PolarHBondContact NH2-O 3.49Å; E274-R350 HydrophobicContact CG-CB 3.53Å; N320-R350 HydrophobicContact CB-CB 3.88Å; N320-R350 HydrophobicContact CB-CG 4.45Å; R350-G406 VanDerWaalsContact C-CA 3.42Å; R350-G406 WeakPolarHBondContact O-CA 3.2Å; R350-G406 PolarHBondContact O-N 3.35Å | ||
| 351 | D | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -79.4 | 171.6 | -178.3 | -58 | -3.9 | 0 | 0 | 0 | 110.1 | D316 N318 D319 N320 D349 N355 G356 G406 | D316-D351 WeakPolarHBondContact OD1-CA 3.41Å; N318-D351 VanDerWaalsContact CA-OD2 3.26Å; N318-D351 WeakPolarHBondContact CA-OD2 3.37Å; D319-D351 PolarHBondContact N-OD2 3.06Å; N320-D351 VanDerWaalsContact CB-OD1 3.26Å; N320-D351 WeakPolarHBondContact CB-OD1 3.12Å; N320-D351 PolarHBondContact N-OD2 2.73Å; N320-D351 VanDerWaalsContact N-OD2 3.12Å; N320-D351 PolarHBondContact ND2-OD1 2.73Å; D349-D351 PolarHBondContact OD1-N 3.3Å; D351-N355 HydrophobicContact CB-CB 3.75Å; D351-G356 WeakPolarHBondContact O-CA 3.36Å; D351-G406 WeakPolarHBondContact O-CA 3.33Å |
| 352 | I | 88.1 | Confident | 91 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 38% | 0.379 | 23% | 0.231 | S | C | . | . | trans | -122 | 162.4 | -177.5 | 58.1 | 162.2 | 0 | 0 | 0 | 114.5 | D316 D354 N355 | D316-I352 HydrophobicContact CB-CD1 4.24Å; D316-I352 HydrophobicContact CB-CG1 3.61Å; D316-I352 VanDerWaalsContact CG-CG1 3.46Å; D316-I352 VanDerWaalsContact OD1-CG1 3.22Å; D316-I352 WeakPolarHBondContact OD1-CG1 3.39Å; D316-I352 PolarHBondContact OD1-N 2.89Å; D316-I352 PolarHBondContact OD2-N 2.77Å; I352-D354 PolarHBondContact O-N 2.87Å; I352-N355 PolarHBondContact O-N 3Å | ||
| 353 | G | 86.8 | Confident | 91.2 | Very high | 61 Ų | 61 | 46 Ų | 46 | 63% | 0.629 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -127.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R357 | G353-R357 WeakPolarHBondContact O-CB 3.45Š|
| 354 | D | 87.8 | Confident | 91.1 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -17.2 | 172.7 | -79.7 | -59.6 | 0 | 0 | 0 | 112.6 | I352 R357 H437 G438 | I352-D354 PolarHBondContact O-N 2.87Å; D354-R357 PolarHBondContact O-N 2.85Å; D354-R357 WeakPolarHBondContact OD1-CD 3.07Å; D354-R357 IonicContact OD1-CZ 3.47Å; D354-R357 IonicContact OD1-NE 2.65Å; D354-R357 IonicContact OD1-NH1 3.36Å; D354-R357 PolarHBondContact OD1-NH1 3.11Å; D354-H437 HydrophobicContact CB-CB 4.29Å; D354-H437 CarbonylContact O-C 3.24Å; D354-H437 WeakPolarHBondContact O-CA 3.43Å; D354-H437 WeakPolarHBondContact O-CB 3.28Å; D354-H437 PolarHBondContact O-N 3.07Å; D354-G438 PolarHBondContact O-N 3.18Å |
| 355 | N | 90.5 | Very high | 90.8 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -64.1 | 174.6 | -73.2 | -9.9 | 0 | 0 | 0 | 109.4 | D316 N318 D351 I352 R357 D436 G438 | D316-N355 WeakPolarHBondContact OD2-CB 3.07Å; D316-N355 PolarHBondContact OD2-ND2 3.28Å; N318-N355 HydrophobicContact CB-CB 4.07Å; N318-N355 PolarHBondContact N-ND2 3.09Å; N318-N355 VanDerWaalsContact OD1-C 3.26Å; N318-N355 WeakPolarHBondContact OD1-CA 3.16Å; N318-N355 WeakPolarHBondContact OD1-CB 3.42Å; N318-N355 PolarHBondContact OD1-O 2.77Å; D351-N355 HydrophobicContact CB-CB 3.75Å; I352-N355 PolarHBondContact O-N 3Å; N355-R357 PolarHBondContact O-N 2.94Å; N355-D436 WeakPolarHBondContact O-CB 3.22Å; N355-G438 VanDerWaalsContact OD1-CA 3.29Å; N355-G438 WeakPolarHBondContact OD1-CA 3.34Å |
| 356 | G | 88.5 | Confident | 90.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 13.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D351 T407 | D351-G356 WeakPolarHBondContact O-CA 3.36Å; G356-T407 WeakPolarHBondContact O-CB 3.34Å; G356-T407 WeakPolarHBondContact O-CG2 3.35Å; G356-T407 PolarHBondContact O-OG1 2.82Å |
| 357 | R | 90.4 | Very high | 90 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 42% | 0.419 | 28% | 0.284 | S | S | . | . | trans | -95.6 | 115.9 | -175.8 | 176.1 | -169.5 | 168 | -167.1 | -5.7 | 111.2 | G353 D354 N355 D436 H437 | G353-R357 WeakPolarHBondContact O-CB 3.45Å; D354-R357 PolarHBondContact O-N 2.85Å; D354-R357 WeakPolarHBondContact OD1-CD 3.07Å; D354-R357 IonicContact OD1-CZ 3.47Å; D354-R357 IonicContact OD1-NE 2.65Å; D354-R357 IonicContact OD1-NH1 3.36Å; D354-R357 PolarHBondContact OD1-NH1 3.11Å; N355-R357 PolarHBondContact O-N 2.94Å; R357-D436 CarbonylContact O-C 3.54Å; R357-D436 VanDerWaalsContact O-C 3.31Å; R357-D436 WeakPolarHBondContact O-CA 3.48Å; R357-H437 HydrophobicContact CB-CB 4.22Å; R357-H437 HydrophobicContact CG-CB 4.48Å; R357-H437 WeakPolarHBondContact O-CB 3.46Å; R357-H437 PolarHBondContact O-CD2 3.17Å; R357-H437 PolarHBondContact O-N 3.13Å | ||
| 358 | V | 91.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -106.5 | 142.9 | -167.3 | -161.3 | 0 | 0 | 0 | 0 | 113.7 | P322 L347 D349 Y409 A434 N435 | P322-V358 HydrophobicContact CB-CB 4.38Å; P322-V358 HydrophobicContact CB-CG1 3.63Å; P322-V358 HydrophobicContact CB-CG2 3.71Å; P322-V358 HydrophobicContact CG-CG1 4.18Å; L347-V358 HydrophobicContact CD2-CB 4.19Å; L347-V358 HydrophobicContact CD2-CG1 3.69Å; D349-V358 HydrophobicContact CB-CG2 3.81Å; V358-Y409 HydrophobicContact CB-CD2 4.34Å; V358-Y409 HydrophobicContact CB-CE2 3.95Å; V358-Y409 HydrophobicContact CG2-CD2 4.22Å; V358-Y409 HydrophobicContact CG2-CE2 3.78Å; V358-Y409 PolarHBondContact N-OH 3.34Å; V358-A434 HydrophobicContact CG1-CB 3.91Å; V358-N435 WeakPolarHBondContact CA-O 3.33Å; V358-N435 WeakPolarHBondContact CG1-O 3.41Å | ||
| 359 | T | 92.5 | Very high | 89.6 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 157.6 | 163.3 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | A434 N435 H437 | T359-A434 CarbonylContact O-C 3.49Å; T359-A434 WeakPolarHBondContact O-CA 3.45Å; T359-N435 PolarHBondContact N-O 3.36Å; T359-N435 PolarHBondContact O-N 2.76Å; T359-N435 PolarHBondContact OG1-O 3.28Å; T359-H437 WeakPolarHBondContact CG2-NE2 3.4Å |
| 360 | I | 94.1 | Very high | 89.3 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.138 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.2 | -179.1 | -45.8 | 173.1 | 0 | 0 | 0 | 110 | F324 F345 L347 I375 L377 L432 V433 A434 | F324-I360 HydrophobicContact CZ-CG2 4.3Å; F345-I360 HydrophobicContact CE2-CD1 3.51Å; F345-I360 HydrophobicContact CZ-CD1 3.73Å; L347-I360 HydrophobicContact CD2-CD1 3.56Å; L347-I360 HydrophobicContact CD2-CG1 3.87Å; I360-I375 HydrophobicContact CB-CD1 3.83Å; I360-I375 HydrophobicContact CD1-CG2 4.37Å; I360-I375 HydrophobicContact CG2-CD1 3.52Å; I360-L377 HydrophobicContact CD1-CD1 3.62Å; I360-L377 HydrophobicContact CD1-CD2 3.88Å; I360-L377 HydrophobicContact CD1-CG 4.3Å; I360-L377 HydrophobicContact CG1-CD2 4.02Å; I360-L432 HydrophobicContact CG2-CB 3.89Å; I360-V433 CarbonylContact C-O 3.57Å; I360-V433 VanDerWaalsContact CA-O 3.3Å; I360-V433 WeakPolarHBondContact CA-O 3.44Å; I360-V433 WeakPolarHBondContact CG2-O 3.1Å; I360-A434 HydrophobicContact CG1-CB 4.37Å |
| 361 | V | 92.6 | Very high | 89.2 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 47% | 0.467 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.7 | 178.6 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | V433 | V361-V433 PolarHBondContact N-O 2.96Å; V361-V433 PolarHBondContact O-N 2.91Å |
| 362 | I | 94.6 | Very high | 89 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 112.4 | 170.5 | -61 | 177.4 | 0 | 0 | 0 | 108.3 | D364 A369 Q370 F373 I375 L413 F430 L432 | I362-D364 HydrophobicContact CG2-CB 4.31Å; I362-A369 HydrophobicContact CG2-CB 3.75Å; I362-Q370 HydrophobicContact CB-CG 4.09Å; I362-Q370 HydrophobicContact CG2-CG 4.03Å; I362-Q370 PolarHBondContact O-NE2 2.73Å; I362-F373 HydrophobicContact CD1-CB 4.27Å; I362-I375 HydrophobicContact CD1-CG1 4.34Å; I362-I375 HydrophobicContact CG1-CD1 3.91Å; I362-I375 HydrophobicContact CG1-CG1 4.1Å; I362-L413 HydrophobicContact CD1-CD1 4.45Å; I362-F430 HydrophobicContact CG2-CD2 3.78Å; I362-F430 HydrophobicContact CG2-CE2 4.11Å; I362-F430 HydrophobicContact CG2-CG 4.44Å; I362-L432 HydrophobicContact CG1-CD2 3.96Å |
| 363 | D | 93.4 | Very high | 89.2 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 98.5 | 174.1 | 176.2 | 40.1 | 0 | 0 | 0 | 109.7 | H431 V433 | D363-H431 HydrophobicContact CB-CB 4.29Å; D363-H431 PolarHBondContact N-O 3.01Å; D363-H431 PolarHBondContact O-N 3.4Å; D363-H431 IonicContact OD2-ND1 2.81Å; D363-V433 HydrophobicContact CB-CG2 3.61Å |
| 364 | D | 90.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | trans | -128.3 | 110.7 | 179.9 | 173.5 | 9.3 | 0 | 0 | 0 | 109.5 | I362 T366 G367 Q368 A369 F430 | I362-D364 HydrophobicContact CG2-CB 4.31Å; D364-T366 PolarHBondContact O-N 2.8Å; D364-T366 VanDerWaalsContact O-N 3.09Å; D364-T366 WeakPolarHBondContact OD1-CA 3.29Å; D364-T366 WeakPolarHBondContact OD1-CB 3.3Å; D364-T366 PolarHBondContact OD1-N 3.14Å; D364-T366 PolarHBondContact OD1-OG1 2.83Å; D364-T366 PolarHBondContact OD2-OG1 2.96Å; D364-G367 PolarHBondContact O-N 3.41Å; D364-G367 PolarHBondContact OD2-N 2.56Å; D364-Q368 PolarHBondContact OD2-N 2.92Å; D364-A369 HydrophobicContact CB-CB 3.91Å; D364-A369 VanDerWaalsContact OD2-CB 3.3Å; D364-A369 WeakPolarHBondContact OD2-CB 3.07Å; D364-A369 PolarHBondContact OD2-N 2.89Å; D364-F430 HydrophobicContact CB-CB 3.73Å | ||
| 365 | P | 83.7 | Confident | 89.7 | Confident | 120 Ų | 120 | 54 Ų | 54 | 78% | 0.779 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.8 | 176.6 | -25.7 | 35.5 | 0 | 0 | 0 | 115.2 | ||
| 366 | T | 83.7 | Confident | 89.7 | Confident | 92 Ų | 92 | 55 Ų | 55 | 56% | 0.564 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -17 | 176.4 | 75.9 | 0 | 0 | 0 | 0 | 113.4 | D364 Q368 | D364-T366 PolarHBondContact O-N 2.8Å; D364-T366 VanDerWaalsContact O-N 3.09Å; D364-T366 WeakPolarHBondContact OD1-CA 3.29Å; D364-T366 WeakPolarHBondContact OD1-CB 3.3Å; D364-T366 PolarHBondContact OD1-N 3.14Å; D364-T366 PolarHBondContact OD1-OG1 2.83Å; D364-T366 PolarHBondContact OD2-OG1 2.96Å; T366-Q368 PolarHBondContact O-N 2.83Å; T366-Q368 PolarHBondContact OG1-N 3.05Å |
| 367 | G | 83.6 | Confident | 89.9 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 70.3 | -0.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D364 | D364-G367 PolarHBondContact O-N 3.41Å; D364-G367 PolarHBondContact OD2-N 2.56Å |
| 368 | Q | 85 | Confident | 89.8 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | trans | -70 | -46.1 | -177 | -64.2 | -174.1 | -1 | 0 | 0 | 111.9 | D364 T366 Q370 H371 L372 | D364-Q368 PolarHBondContact OD2-N 2.92Å; T366-Q368 PolarHBondContact O-N 2.83Å; T366-Q368 PolarHBondContact OG1-N 3.05Å; Q368-Q370 PolarHBondContact O-N 2.82Å; Q368-H371 PolarHBondContact O-N 2.74Å; Q368-L372 HydrophobicContact CB-CD1 4.46Å; Q368-L372 WeakPolarHBondContact O-CG 3.34Å; Q368-L372 PolarHBondContact O-N 3.23Å; Q368-L372 VanDerWaalsContact O-N 3.15Å | ||
| 369 | A | 89 | Confident | 89.5 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -30.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | I362 D364 H371 L372 F373 F430 | I362-A369 HydrophobicContact CG2-CB 3.75Å; D364-A369 HydrophobicContact CB-CB 3.91Å; D364-A369 VanDerWaalsContact OD2-CB 3.3Å; D364-A369 WeakPolarHBondContact OD2-CB 3.07Å; D364-A369 PolarHBondContact OD2-N 2.89Å; A369-H371 PolarHBondContact O-N 3Å; A369-L372 PolarHBondContact O-N 3.4Å; A369-F373 HydrophobicContact CB-CD2 4.05Å; A369-F373 HydrophobicContact CB-CE2 4.41Å; A369-F373 PolarHBondContact O-N 3.26Å; A369-F430 HydrophobicContact CB-CB 4.27Å; A369-F430 HydrophobicContact CB-CD1 3.46Å; A369-F430 VanDerWaalsContact CB-CD1 3.46Å; A369-F430 HydrophobicContact CB-CD2 4.04Å; A369-F430 HydrophobicContact CB-CE1 3.64Å; A369-F430 HydrophobicContact CB-CE2 4.18Å; A369-F430 HydrophobicContact CB-CG 3.67Å; A369-F430 HydrophobicContact CB-CZ 3.98Å |
| 370 | Q | 86.8 | Confident | 88.5 | Confident | 100 Ų | 100 | 62.7 Ų | 62.7 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.6 | -18.3 | 175.4 | -65.7 | -176.1 | -3.5 | 0 | 0 | 113.5 | I362 Q368 | I362-Q370 HydrophobicContact CB-CG 4.09Å; I362-Q370 HydrophobicContact CG2-CG 4.03Å; I362-Q370 PolarHBondContact O-NE2 2.73Å; Q368-Q370 PolarHBondContact O-N 2.82Å |
| 371 | H | 87.4 | Confident | 86.9 | Confident | 136 Ų | 136 | 70 Ų | 70 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -105.5 | -16.9 | 176.4 | -62.9 | -43.4 | 0 | 0 | 0 | 113.4 | Q368 A369 S417 | Q368-H371 PolarHBondContact O-N 2.74Å; A369-H371 PolarHBondContact O-N 3Å; H371-S417 WeakPolarHBondContact O-CB 3.47Å; H371-S417 PolarHBondContact O-OG 3.33Å |
| 372 | L | 89.3 | Confident | 85.1 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -94.5 | -32.9 | 179.5 | -63 | 177.5 | 0 | 0 | 0 | 113.4 | Q368 A369 I416 S417 L419 L428 | Q368-L372 HydrophobicContact CB-CD1 4.46Å; Q368-L372 WeakPolarHBondContact O-CG 3.34Å; Q368-L372 PolarHBondContact O-N 3.23Å; Q368-L372 VanDerWaalsContact O-N 3.15Å; A369-L372 PolarHBondContact O-N 3.4Å; L372-I416 VanDerWaalsContact C-CG1 3.47Å; L372-I416 VanDerWaalsContact O-CG1 3.29Å; L372-I416 WeakPolarHBondContact O-CG1 3.22Å; L372-I416 PolarHBondContact O-N 2.93Å; L372-S417 PolarHBondContact O-N 2.86Å; L372-L419 HydrophobicContact CB-CD2 4.29Å; L372-L419 HydrophobicContact CD1-CD2 4.04Å; L372-L419 HydrophobicContact CD2-CD2 4.24Å; L372-L419 HydrophobicContact CG-CD2 4.42Å; L372-L428 HydrophobicContact CD1-CD1 3.84Å |
| 373 | F | 92.3 | Very high | 82.6 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 1% | 0.013 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.4 | -173.2 | -48.7 | -69.5 | 0 | 0 | 0 | 113.2 | I342 I362 A369 L413 Q414 I415 L419 L428 F430 I450 | I342-F373 HydrophobicContact CD1-CD1 3.75Å; I342-F373 HydrophobicContact CD1-CE1 3.54Å; I342-F373 HydrophobicContact CD1-CZ 4.43Å; I362-F373 HydrophobicContact CD1-CB 4.27Å; A369-F373 HydrophobicContact CB-CD2 4.05Å; A369-F373 HydrophobicContact CB-CE2 4.41Å; A369-F373 PolarHBondContact O-N 3.26Å; F373-L413 HydrophobicContact CB-CD1 3.74Å; F373-L413 HydrophobicContact CB-CD2 4.47Å; F373-L413 HydrophobicContact CB-CG 4.04Å; F373-L413 HydrophobicContact CG-CD1 4.44Å; F373-L413 HydrophobicContact CG-CD2 4.32Å; F373-L413 HydrophobicContact CG-CG 4.35Å; F373-Q414 CarbonylContact C-O 3.45Å; F373-Q414 WeakPolarHBondContact CA-O 3.29Å; F373-I415 HydrophobicContact CD1-CG1 4.44Å; F373-I415 HydrophobicContact CE1-CG1 4.3Å; F373-L419 HydrophobicContact CE1-CD1 4.32Å; F373-L419 HydrophobicContact CE1-CD2 4.15Å; F373-L419 HydrophobicContact CZ-CD1 4.42Å; F373-L419 HydrophobicContact CZ-CD2 3.94Å; F373-L428 HydrophobicContact CE2-CD1 3.87Å; F373-L428 HydrophobicContact CZ-CD1 3.83Å; F373-F430 AromaticContact CD2-CE1 3.91Å; F373-F430 HydrophobicContact CD2-CE1 3.91Å; F373-F430 AromaticContact CD2-CZ 3.66Å; F373-F430 HydrophobicContact CD2-CZ 3.66Å; F373-F430 AromaticContact CE2-CE1 3.74Å; F373-F430 HydrophobicContact CE2-CE1 3.74Å; F373-F430 AromaticContact CE2-CZ 3.92Å; F373-F430 HydrophobicContact CE2-CZ 3.92Å; F373-F430 HydrophobicContact CG-CZ 4.48Å; F373-I450 HydrophobicContact CD1-CD1 4.44Å; F373-I450 HydrophobicContact CD2-CD1 4.4Å; F373-I450 HydrophobicContact CE1-CD1 3.85Å; F373-I450 HydrophobicContact CE2-CD1 3.79Å; F373-I450 HydrophobicContact CZ-CD1 3.49Å; F373-I450 VanDerWaalsContact CZ-CD1 3.49Å |
| 374 | R | 91.6 | Very high | 80.1 | Confident | 117 Ų | 117 | 75.4 Ų | 75.4 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.3 | 163.3 | 73.1 | 179.9 | 172.5 | -157 | -1.9 | 111.2 | Q414 I416 | R374-Q414 HydrophobicContact CG-CB 4.18Å; R374-Q414 PolarHBondContact N-O 2.85Å; R374-Q414 PolarHBondContact O-N 2.9Å; R374-I416 HydrophobicContact CB-CG2 3.67Å; R374-I416 HydrophobicContact CG-CG2 3.48Å; R374-I416 VanDerWaalsContact CG-CG2 3.48Å |
| 375 | I | 93 | Very high | 77.8 | Confident | 41 Ų | 41 | 78.4 Ų | 78.4 | 21% | 0.21 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.8 | 169.7 | -51.2 | 176.1 | 0 | 0 | 0 | 108.4 | F345 I360 I362 L413 L432 | F345-I375 HydrophobicContact CE1-CG2 4.44Å; F345-I375 HydrophobicContact CZ-CG2 3.87Å; I360-I375 HydrophobicContact CB-CD1 3.83Å; I360-I375 HydrophobicContact CD1-CG2 4.37Å; I360-I375 HydrophobicContact CG2-CD1 3.52Å; I362-I375 HydrophobicContact CD1-CG1 4.34Å; I362-I375 HydrophobicContact CG1-CD1 3.91Å; I362-I375 HydrophobicContact CG1-CG1 4.1Å; I375-L413 HydrophobicContact CG1-CD1 4.19Å; I375-L432 HydrophobicContact CD1-CD2 3.92Å; I375-L432 HydrophobicContact CG1-CD2 4.43Å |
| 376 | I | 91 | Very high | 75.4 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 28% | 0.282 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.3 | 161.5 | -66.8 | 177.6 | 0 | 0 | 0 | 106.6 | Q378 G411 S412 Q414 | I376-Q378 HydrophobicContact CG2-CG 4.18Å; I376-G411 CarbonylContact O-C 3.5Å; I376-G411 VanDerWaalsContact O-CA 3.24Å; I376-G411 WeakPolarHBondContact O-CA 3.45Å; I376-S412 PolarHBondContact N-O 2.74Å; I376-S412 PolarHBondContact O-N 3.21Å; I376-Q414 VanDerWaalsContact CD1-OE1 3.24Å |
| 377 | L | 91.3 | Very high | 73.1 | Confident | 50 Ų | 50 | 83.2 Ų | 83.2 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.9 | 177 | -165.5 | 67 | 0 | 0 | 0 | 109.5 | F345 I360 Y409 | F345-L377 HydrophobicContact CE2-CD1 4.23Å; I360-L377 HydrophobicContact CD1-CD1 3.62Å; I360-L377 HydrophobicContact CD1-CD2 3.88Å; I360-L377 HydrophobicContact CD1-CG 4.3Å; I360-L377 HydrophobicContact CG1-CD2 4.02Å; L377-Y409 HydrophobicContact CD1-CD1 4.4Å; L377-Y409 HydrophobicContact CD1-CG 4.35Å; L377-Y409 HydrophobicContact CD2-CD1 3.9Å; L377-Y409 HydrophobicContact CD2-CE1 4.33Å; L377-Y409 HydrophobicContact CD2-CG 4.25Å; L377-Y409 HydrophobicContact CG-CD1 3.81Å; L377-Y409 HydrophobicContact CG-CG 4.21Å |
| 378 | Q | 89.2 | Confident | 70.7 | Confident | 121 Ų | 121 | 91.7 Ų | 91.7 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.8 | -177.4 | -64.8 | -176.6 | -2.3 | 0 | 0 | 110.3 | I376 S380 Y409 K410 | I376-Q378 HydrophobicContact CG2-CG 4.18Å; Q378-S380 PolarHBondContact O-N 2.84Å; Q378-Y409 WeakPolarHBondContact O-CA 3.38Å; Q378-K410 PolarHBondContact N-O 3.46Å; Q378-K410 PolarHBondContact O-N 2.99Å |
| 379 | P | 84.6 | Confident | 68.1 | Low | 109 Ų | 109 | 93.2 Ų | 93.2 | 71% | 0.708 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 131.7 | 167.9 | -20.7 | 31.9 | 0 | 0 | 0 | 110.3 | Y409 | P379-Y409 HydrophobicContact CB-CD1 4.49Å; P379-Y409 HydrophobicContact CB-CE1 4.4Å; P379-Y409 HydrophobicContact CG-CD1 4.29Å; P379-Y409 HydrophobicContact CG-CE1 3.97Å |
| 380 | S | 72.6 | Confident | 65.4 | Low | 62 Ų | 62 | 101.2 Ų | 101.2 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | trans | -113.9 | 131.4 | -178.9 | -164.8 | 0 | 0 | 0 | 0 | 109.7 | Q378 N382 Y408 | Q378-S380 PolarHBondContact O-N 2.84Å; S380-N382 PolarHBondContact O-N 2.65Å; S380-Y408 PolarHBondContact N-O 2.88Å | ||
| 381 | Q | 60.7 | Low | 62.9 | Low | 181 Ų | 181 | 102.9 Ų | 102.9 | 85% | 0.846 | 53% | 0.529 | S | S | * | . | trans | -85.9 | 106.5 | 170.8 | -69 | -154 | -19.4 | 0 | 0 | 109.6 | S383 | Q381-S383 PolarHBondContact O-N 2.69Å; Q381-S383 VanDerWaalsContact O-N 3.1Å; Q381-S383 PolarHBondContact O-OG 2.9Å | ||
| 382 | N | 54.2 | Low | 60 | Low | 29 Ų | 29 | 99.3 Ų | 99.3 | 16% | 0.155 | 53% | 0.529 | C | S | . | . | trans | -61.2 | 112.5 | -170.4 | -168.2 | -1.5 | 0 | 0 | 0 | 111.3 | S380 P404 Y408 | S380-N382 PolarHBondContact O-N 2.65Å; N382-P404 WeakPolarHBondContact ND2-CG 3.09Å; N382-Y408 HydrophobicContact CB-CD1 4.2Å; N382-Y408 HydrophobicContact CB-CD2 3.86Å; N382-Y408 HydrophobicContact CB-CE2 4.27Å; N382-Y408 HydrophobicContact CB-CG 3.87Å; N382-Y408 WeakPolarHBondContact ND2-CD1 3.47Å; N382-Y408 WeakPolarHBondContact ND2-CE1 3.24Å | ||
| 383 | S | 41 | Very low | 57.3 | Low | 98 Ų | 98 | 109.3 Ų | 109.3 | 69% | 0.685 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -143.1 | -7.6 | -171.4 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | Q381 | Q381-S383 PolarHBondContact O-N 2.69Å; Q381-S383 VanDerWaalsContact O-N 3.1Å; Q381-S383 PolarHBondContact O-OG 2.9Å |
| 384 | N | 41.5 | Very low | 54.2 | Low | 147 Ų | 147 | 116.3 Ų | 116.3 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | trans | -150.1 | 9.5 | -175.7 | -85.6 | -71.7 | 0 | 0 | 0 | 115.6 | K386 | N384-K386 PolarHBondContact O-N 2.92Š| ||
| 385 | L | 42.9 | Very low | 51.3 | Low | 77 Ų | 77 | 118 Ų | 118 | 40% | 0.403 | 63% | 0.627 | S | S | . | * | trans | -71 | 89.2 | 176.7 | -88.2 | 163.7 | 0 | 0 | 0 | 111.5 | V346 L387 Y408 | V346-L385 HydrophobicContact CG1-CD1 4.46Å; L385-L387 PolarHBondContact O-N 3.4Å; L385-Y408 HydrophobicContact CD1-CD1 4.17Å | ||
| 386 | K | 33.7 | Very low | 48.3 | Very low | 171 Ų | 171 | 121.5 Ų | 121.5 | 74% | 0.743 | 66% | 0.655 | S | S | * | * | trans | -70.3 | 91.3 | 164.8 | -78.5 | -174.5 | 175.2 | 179.7 | 0 | 109.8 | N384 Y388 | N384-K386 PolarHBondContact O-N 2.92Å; K386-Y388 PolarHBondContact O-N 2.73Å | ||
| 387 | L | 34.8 | Very low | 45.4 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | trans | -62.8 | 107.1 | 168.1 | -134.7 | 79.6 | 0 | 0 | 0 | 109.2 | L385 S389 | L385-L387 PolarHBondContact O-N 3.4Å; L387-S389 VanDerWaalsContact C-N 3.32Å; L387-S389 PolarHBondContact O-N 3.21Å | ||
| 388 | Y | 32.3 | Very low | 42.4 | Very low | 200 Ų | 200 | 128.1 Ų | 128.1 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | trans | -77.3 | 84.5 | 171.6 | -82.4 | -81.9 | 0 | 0 | 0 | 109.4 | K386 H390 | K386-Y388 PolarHBondContact O-N 2.73Å; Y388-H390 PolarHBondContact O-N 2.8Å | ||
| 389 | S | 31.4 | Very low | 39.6 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | -67.6 | 101.3 | 176.3 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | L387 T391 | L387-S389 VanDerWaalsContact C-N 3.32Å; L387-S389 PolarHBondContact O-N 3.21Å; S389-T391 PolarHBondContact O-N 3Å | ||
| 390 | H | 32.2 | Very low | 37.1 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 79% | 0.787 | 73% | 0.728 | S | S | * | * | trans | -66.8 | 131.3 | 168.1 | -99.1 | -91.8 | 0 | 0 | 0 | 110.6 | Y388 | Y388-H390 PolarHBondContact O-N 2.8Š| ||
| 391 | T | 33.4 | Very low | 35 | Very low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 60.3 | 68.2 | 164.3 | 54 | 0 | 0 | 0 | 0 | 118.2 | S389 | S389-T391 PolarHBondContact O-N 3Š|
| 392 | G | 27.6 | Very low | 34.1 | Very low | 62 Ų | 62 | 135.5 Ų | 135.5 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | 74.1 | 113.4 | 114.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 393 | F | 32.3 | Very low | 33.8 | Very low | 220 Ų | 220 | 140.4 Ų | 140.4 | 97% | 0.965 | 77% | 0.765 | S | S | * | * | -149.5 | 158.7 | 112 | -105 | -75.3 | 0 | 0 | 0 | 109.2 | |||||
| 394 | L | 28 | Very low | 34.5 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | -107.8 | 158.6 | -171.8 | -125.3 | 76.9 | 0 | 0 | 0 | 112.5 | ||||
| 395 | N | 28.9 | Very low | 35.5 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | 88 | 79.4 | 163.5 | -50 | -31.3 | 0 | 0 | 0 | 118.9 | ||||
| 396 | S | 30.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | -143 | 151.1 | 138.6 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 397 | P | 31.4 | Very low | 39.3 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | trans | -80.7 | 157.1 | -173.8 | -12.1 | 30.2 | 0 | 0 | 0 | 113.1 | Q399 | P397-Q399 PolarHBondContact O-N 2.88Š| ||
| 398 | P | 26.9 | Very low | 41.9 | Very low | 129 Ų | 129 | 119 Ų | 119 | 84% | 0.838 | 67% | 0.665 | S | S | * | * | trans | -72.9 | 126.5 | -178.9 | 29.9 | -34.4 | 0 | 0 | 0 | 111.9 | ||||
| 399 | Q | 31.7 | Very low | 44.6 | Very low | 194 Ų | 194 | 110.8 Ų | 110.8 | 91% | 0.907 | 63% | 0.633 | S | S | * | * | trans | -110.8 | 157.6 | 159.5 | -75.8 | -170.6 | -33.6 | 0 | 0 | 110.6 | P397 | P397-Q399 PolarHBondContact O-N 2.88Š| ||
| 400 | Q | 31.2 | Very low | 47.5 | Very low | 184 Ų | 184 | 109.9 Ų | 109.9 | 86% | 0.86 | 62% | 0.616 | S | S | * | * | trans | -83.9 | 145.6 | -155.8 | -67.4 | 157 | -44 | 0 | 0 | 112.5 | ||||
| 401 | S | 28.5 | Very low | 50.3 | Low | 102 Ų | 102 | 101.9 Ų | 101.9 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | trans | 40.6 | 110.5 | 156.3 | 58.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 402 | N | 42.4 | Very low | 53.2 | Low | 149 Ų | 149 | 96.2 Ų | 96.2 | 80% | 0.797 | 55% | 0.545 | S | S | * | . | -152.1 | 164 | 112 | -91.6 | -29.2 | 0 | 0 | 0 | 109.3 | |||||
| 403 | N | 46.9 | Very low | 56.3 | Low | 131 Ų | 131 | 93.3 Ų | 93.3 | 70% | 0.701 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 141.5 | 166.9 | -73.4 | -12.9 | 0 | 0 | 0 | 108.1 | A405 | N403-A405 PolarHBondContact O-N 2.88Š|
| 404 | P | 55.4 | Low | 59.1 | Low | 75 Ų | 75 | 84 Ų | 84 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 134.9 | 172.8 | 27.9 | -35 | 0 | 0 | 0 | 108.7 | N382 Y408 | N382-P404 WeakPolarHBondContact ND2-CG 3.09Å; P404-Y408 WeakPolarHBondContact CB-OH 3.43Å; P404-Y408 PolarHBondContact O-OH 3.35Å |
| 405 | A | 62.5 | Low | 62 | Low | 33 Ų | 33 | 77 Ų | 77 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -57.7 | 160.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | N403 Y408 | N403-A405 PolarHBondContact O-N 2.88Å; A405-Y408 PolarHBondContact O-OH 2.89Å |
| 406 | G | 72.9 | Confident | 64.9 | Low | 22 Ų | 22 | 73.1 Ų | 73.1 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | S | Bend | trans | 99.2 | -172.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | D349 R350 D351 | D349-G406 CarbonylContact O-C 3.51Å; D349-G406 VanDerWaalsContact O-CA 3.23Å; D349-G406 WeakPolarHBondContact O-CA 3.44Å; R350-G406 VanDerWaalsContact C-CA 3.42Å; R350-G406 WeakPolarHBondContact O-CA 3.2Å; R350-G406 PolarHBondContact O-N 3.35Å; D351-G406 WeakPolarHBondContact O-CA 3.33Å |
| 407 | T | 84.1 | Confident | 67.5 | Low | 29 Ų | 29 | 69.9 Ų | 69.9 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 147.4 | 178.2 | 75.1 | 0 | 0 | 0 | 0 | 110.6 | D349 G356 Y409 | D349-T407 WeakPolarHBondContact CB-OG1 3.2Å; D349-T407 PolarHBondContact N-O 3.05Å; D349-T407 PolarHBondContact O-N 2.57Å; G356-T407 WeakPolarHBondContact O-CB 3.34Å; G356-T407 WeakPolarHBondContact O-CG2 3.35Å; G356-T407 PolarHBondContact O-OG1 2.82Å; T407-Y409 VanDerWaalsContact OG1-CE2 3.25Å; T407-Y409 WeakPolarHBondContact OG1-CE2 3.05Å |
| 408 | Y | 89 | Confident | 70 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 11% | 0.114 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.8 | -177.5 | -62.3 | -94.7 | 0 | 0 | 0 | 107.3 | I348 S380 N382 L385 P404 A405 | I348-Y408 HydrophobicContact CB-CD1 4.47Å; I348-Y408 HydrophobicContact CB-CE1 4.43Å; I348-Y408 HydrophobicContact CD1-CD1 4.19Å; I348-Y408 HydrophobicContact CD1-CE1 4.05Å; I348-Y408 HydrophobicContact CG1-CD1 3.91Å; I348-Y408 HydrophobicContact CG1-CE1 4.1Å; I348-Y408 HydrophobicContact CG2-CD1 3.96Å; I348-Y408 HydrophobicContact CG2-CE1 3.54Å; S380-Y408 PolarHBondContact N-O 2.88Å; N382-Y408 HydrophobicContact CB-CD1 4.2Å; N382-Y408 HydrophobicContact CB-CD2 3.86Å; N382-Y408 HydrophobicContact CB-CE2 4.27Å; N382-Y408 HydrophobicContact CB-CG 3.87Å; N382-Y408 WeakPolarHBondContact ND2-CD1 3.47Å; N382-Y408 WeakPolarHBondContact ND2-CE1 3.24Å; L385-Y408 HydrophobicContact CD1-CD1 4.17Å; P404-Y408 WeakPolarHBondContact CB-OH 3.43Å; P404-Y408 PolarHBondContact O-OH 3.35Å; A405-Y408 PolarHBondContact O-OH 2.89Å |
| 409 | Y | 90.7 | Very high | 72.9 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 11% | 0.106 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.9 | 178.5 | -66.3 | -89.6 | 0 | 0 | 0 | 110 | L347 V358 L377 Q378 P379 T407 | L347-Y409 PolarHBondContact N-O 3.27Å; L347-Y409 PolarHBondContact O-N 2.93Å; V358-Y409 HydrophobicContact CB-CD2 4.34Å; V358-Y409 HydrophobicContact CB-CE2 3.95Å; V358-Y409 HydrophobicContact CG2-CD2 4.22Å; V358-Y409 HydrophobicContact CG2-CE2 3.78Å; V358-Y409 PolarHBondContact N-OH 3.34Å; L377-Y409 HydrophobicContact CD1-CD1 4.4Å; L377-Y409 HydrophobicContact CD1-CG 4.35Å; L377-Y409 HydrophobicContact CD2-CD1 3.9Å; L377-Y409 HydrophobicContact CD2-CE1 4.33Å; L377-Y409 HydrophobicContact CD2-CG 4.25Å; L377-Y409 HydrophobicContact CG-CD1 3.81Å; L377-Y409 HydrophobicContact CG-CG 4.21Å; Q378-Y409 WeakPolarHBondContact O-CA 3.38Å; P379-Y409 HydrophobicContact CB-CD1 4.49Å; P379-Y409 HydrophobicContact CB-CE1 4.4Å; P379-Y409 HydrophobicContact CG-CD1 4.29Å; P379-Y409 HydrophobicContact CG-CE1 3.97Å; T407-Y409 VanDerWaalsContact OG1-CE2 3.25Å; T407-Y409 WeakPolarHBondContact OG1-CE2 3.05Å |
| 410 | K | 91.5 | Very high | 75.6 | Confident | 86 Ų | 86 | 54.8 Ų | 54.8 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.8 | 161.9 | -162.1 | -172.2 | -172.9 | -163.6 | 0 | 108.2 | E344 Q378 | E344-K410 WeakPolarHBondContact OE1-CE 3.33Å; E344-K410 IonicContact OE1-NZ 3.13Å; E344-K410 PolarHBondContact OE1-NZ 2.93Å; E344-K410 WeakPolarHBondContact OE2-CE 3.12Å; E344-K410 IonicContact OE2-NZ 3.33Å; E344-K410 PolarHBondContact OE2-NZ 3.28Å; Q378-K410 PolarHBondContact N-O 3.46Å; Q378-K410 PolarHBondContact O-N 2.99Å |
| 411 | G | 91.3 | Very high | 78.3 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 155.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E344 F345 I376 | E344-G411 WeakPolarHBondContact CA-O 3.11Å; F345-G411 PolarHBondContact N-O 3.07Å; F345-G411 PolarHBondContact O-N 2.95Å; I376-G411 CarbonylContact O-C 3.5Å; I376-G411 VanDerWaalsContact O-CA 3.24Å; I376-G411 WeakPolarHBondContact O-CA 3.45Å |
| 412 | S | 93 | Very high | 81 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 144.9 | 162.7 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | I343 I376 | I343-S412 CarbonylContact O-C 3.59Å; I343-S412 WeakPolarHBondContact O-CA 3.47Å; I343-S412 WeakPolarHBondContact O-CB 3.22Å; I376-S412 PolarHBondContact N-O 2.74Å; I376-S412 PolarHBondContact O-N 3.21Å |
| 413 | L | 93.1 | Very high | 83 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.7 | 170.9 | -169.6 | 74 | 0 | 0 | 0 | 108.2 | P341 I342 I343 I362 F373 I375 F430 L432 I448 I450 | P341-L413 CarbonylContact C-O 3.58Å; P341-L413 WeakPolarHBondContact CA-O 3.3Å; I342-L413 HydrophobicContact CD1-CD2 4.06Å; I342-L413 HydrophobicContact CD1-CG 4.45Å; I342-L413 HydrophobicContact CG1-CB 4.4Å; I342-L413 HydrophobicContact CG1-CD2 4.34Å; I342-L413 HydrophobicContact CG1-CG 4.42Å; I342-L413 WeakPolarHBondContact CG1-O 3.2Å; I342-L413 PolarHBondContact N-O 2.87Å; I343-L413 HydrophobicContact CB-CB 4.21Å; I343-L413 HydrophobicContact CD1-CD2 4.3Å; I343-L413 PolarHBondContact O-N 2.7Å; I362-L413 HydrophobicContact CD1-CD1 4.45Å; F373-L413 HydrophobicContact CB-CD1 3.74Å; F373-L413 HydrophobicContact CB-CD2 4.47Å; F373-L413 HydrophobicContact CB-CG 4.04Å; F373-L413 HydrophobicContact CG-CD1 4.44Å; F373-L413 HydrophobicContact CG-CD2 4.32Å; F373-L413 HydrophobicContact CG-CG 4.35Å; I375-L413 HydrophobicContact CG1-CD1 4.19Å; L413-F430 HydrophobicContact CD2-CE2 4.34Å; L413-F430 HydrophobicContact CD2-CZ 3.95Å; L413-L432 HydrophobicContact CD1-CD2 4.43Å; L413-I448 HydrophobicContact CD2-CG2 4.07Å; L413-I450 HydrophobicContact CD2-CD1 3.9Å |
| 414 | Q | 90.8 | Very high | 84.7 | Confident | 26 Ų | 26 | 43.7 Ų | 43.7 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.6 | -175.2 | -169.5 | -176.8 | 26.1 | 0 | 0 | 110.8 | N339 S340 F373 R374 I376 | N339-Q414 PolarHBondContact O-NE2 3.09Å; S340-Q414 WeakPolarHBondContact O-CG 3.34Å; F373-Q414 CarbonylContact C-O 3.45Å; F373-Q414 WeakPolarHBondContact CA-O 3.29Å; R374-Q414 HydrophobicContact CG-CB 4.18Å; R374-Q414 PolarHBondContact N-O 2.85Å; R374-Q414 PolarHBondContact O-N 2.9Å; I376-Q414 VanDerWaalsContact CD1-OE1 3.24Å |
| 415 | I | 90.1 | Very high | 86.1 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 134.5 | 172.8 | -52.9 | 173.8 | 0 | 0 | 0 | 109.6 | V333 S337 N339 I342 F373 S417 L419 | V333-I415 HydrophobicContact CG1-CD1 3.93Å; S337-I415 WeakPolarHBondContact O-CD1 3.35Å; N339-I415 PolarHBondContact OD1-O 2.87Å; I342-I415 HydrophobicContact CD1-CG1 4.3Å; I342-I415 HydrophobicContact CG2-CD1 3.87Å; I342-I415 HydrophobicContact CG2-CG1 3.93Å; F373-I415 HydrophobicContact CD1-CG1 4.44Å; F373-I415 HydrophobicContact CE1-CG1 4.3Å; I415-S417 WeakPolarHBondContact CG2-O 3.37Å; I415-L419 HydrophobicContact CD1-CD1 4.44Å |
| 416 | I | 88.4 | Confident | 87 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -117.7 | -25.7 | 171.8 | 54.9 | 169 | 0 | 0 | 0 | 113.9 | L372 R374 | L372-I416 VanDerWaalsContact C-CG1 3.47Å; L372-I416 VanDerWaalsContact O-CG1 3.29Å; L372-I416 WeakPolarHBondContact O-CG1 3.22Å; L372-I416 PolarHBondContact O-N 2.93Å; R374-I416 HydrophobicContact CB-CG2 3.67Å; R374-I416 HydrophobicContact CG-CG2 3.48Å; R374-I416 VanDerWaalsContact CG-CG2 3.48Å |
| 417 | S | 85.9 | Confident | 87.7 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -123.5 | 139.7 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 107.7 | H371 L372 I415 L419 | H371-S417 WeakPolarHBondContact O-CB 3.47Å; H371-S417 PolarHBondContact O-OG 3.33Å; L372-S417 PolarHBondContact O-N 2.86Å; I415-S417 WeakPolarHBondContact CG2-O 3.37Å; S417-L419 PolarHBondContact O-N 2.89Å |
| 418 | P | 84.1 | Confident | 88 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 58% | 0.584 | 25% | 0.245 | S | C | * | . | trans | -58 | 137.8 | -178.5 | 25.3 | -34.2 | 0 | 0 | 0 | 110.8 | ||||
| 419 | L | 87.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | trans | -78.4 | 148.6 | 167 | -56.5 | -179.2 | 0 | 0 | 0 | 108.8 | V333 E335 N336 L372 F373 I415 S417 I452 | V333-L419 HydrophobicContact CB-CD1 4.26Å; V333-L419 HydrophobicContact CG1-CD1 3.8Å; E335-L419 WeakPolarHBondContact CB-O 3.44Å; N336-L419 PolarHBondContact N-O 2.89Å; L372-L419 HydrophobicContact CB-CD2 4.29Å; L372-L419 HydrophobicContact CD1-CD2 4.04Å; L372-L419 HydrophobicContact CD2-CD2 4.24Å; L372-L419 HydrophobicContact CG-CD2 4.42Å; F373-L419 HydrophobicContact CE1-CD1 4.32Å; F373-L419 HydrophobicContact CE1-CD2 4.15Å; F373-L419 HydrophobicContact CZ-CD1 4.42Å; F373-L419 HydrophobicContact CZ-CD2 3.94Å; I415-L419 HydrophobicContact CD1-CD1 4.44Å; S417-L419 PolarHBondContact O-N 2.89Å; L419-I452 HydrophobicContact CD1-CG1 4.46Å | ||
| 420 | D | 88.4 | Confident | 88.3 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | trans | -152.4 | 111.2 | -165.7 | 163.9 | -47 | 0 | 0 | 0 | 104.1 | E335 E422 R423 H424 | E335-D420 WeakPolarHBondContact OE2-CA 3.25Å; D420-E422 VanDerWaalsContact C-N 3.32Å; D420-R423 WeakPolarHBondContact OD1-CB 3.5Å; D420-R423 WeakPolarHBondContact OD1-CD 3.35Å; D420-R423 WeakPolarHBondContact OD1-CG 3.4Å; D420-R423 PolarHBondContact OD1-N 2.86Å; D420-R423 IonicContact OD1-NE 3.17Å; D420-R423 VanDerWaalsContact OD2-CD 3.28Å; D420-R423 WeakPolarHBondContact OD2-CD 3.4Å; D420-R423 IonicContact OD2-CZ 2.59Å; D420-R423 IonicContact OD2-NE 3.92Å; D420-R423 PolarHBondContact OD2-NE 2.86Å; D420-R423 VanDerWaalsContact OD2-NE 3.1Å; D420-R423 IonicContact OD2-NH1 3.04Å; D420-R423 PolarHBondContact OD2-NH1 2.98Å; D420-R423 IonicContact OD2-NH2 3.91Å; D420-R423 PolarHBondContact OD2-NH2 2.77Å; D420-R423 VanDerWaalsContact OD2-NH2 3.14Å; D420-H424 WeakPolarHBondContact O-CB 3.35Å; D420-H424 PolarHBondContact O-N 2.96Å; D420-H424 PolarHBondContact O-ND1 2.87Å | ||
| 421 | A | 87.3 | Confident | 88.5 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -21.7 | -165 | 0 | 0 | 0 | 0 | 0 | 112.8 | E335 I452 N454 | E335-A421 WeakPolarHBondContact OE1-CB 3.3Å; E335-A421 PolarHBondContact OE2-N 3.01Å; A421-I452 HydrophobicContact CB-CG2 3.85Å; A421-N454 HydrophobicContact CB-CB 3.93Å |
| 422 | E | 85.9 | Confident | 88.6 | Confident | 65 Ų | 65 | 52 Ų | 52 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -20.4 | -172.8 | -67.8 | 52.7 | -108.5 | 0 | 0 | 111.1 | D420 N454 D497 | D420-E422 VanDerWaalsContact C-N 3.32Å; E422-N454 PolarHBondContact OE1-ND2 3.33Å; E422-D497 HydrophobicContact CG-CB 3.84Å |
| 423 | R | 84.7 | Confident | 88.7 | Confident | 205 Ų | 205 | 52.7 Ų | 52.7 | 77% | 0.774 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -21.1 | 174.9 | -60.4 | 175.4 | -156.9 | 149.7 | 21.3 | 114.3 | D420 | D420-R423 WeakPolarHBondContact OD1-CB 3.5Å; D420-R423 WeakPolarHBondContact OD1-CD 3.35Å; D420-R423 WeakPolarHBondContact OD1-CG 3.4Å; D420-R423 PolarHBondContact OD1-N 2.86Å; D420-R423 IonicContact OD1-NE 3.17Å; D420-R423 VanDerWaalsContact OD2-CD 3.28Å; D420-R423 WeakPolarHBondContact OD2-CD 3.4Å; D420-R423 IonicContact OD2-CZ 2.59Å; D420-R423 IonicContact OD2-NE 3.92Å; D420-R423 PolarHBondContact OD2-NE 2.86Å; D420-R423 VanDerWaalsContact OD2-NE 3.1Å; D420-R423 IonicContact OD2-NH1 3.04Å; D420-R423 PolarHBondContact OD2-NH1 2.98Å; D420-R423 IonicContact OD2-NH2 3.91Å; D420-R423 PolarHBondContact OD2-NH2 2.77Å; D420-R423 VanDerWaalsContact OD2-NH2 3.14Å |
| 424 | H | 82.8 | Confident | 88.8 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 21% | 0.208 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -104.9 | 160.1 | -177.7 | -61 | 95.8 | 0 | 0 | 0 | 111.7 | D420 N426 I452 | D420-H424 WeakPolarHBondContact O-CB 3.35Å; D420-H424 PolarHBondContact O-N 2.96Å; D420-H424 PolarHBondContact O-ND1 2.87Å; H424-N426 PolarHBondContact O-N 2.85Å; H424-I452 HydrophobicContact CB-CD1 3.56Å |
| 425 | L | 82.9 | Confident | 89 | Confident | 94 Ų | 94 | 53.4 Ų | 53.4 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | trans | -70.1 | 129.4 | 171.3 | -69.8 | 169.7 | 0 | 0 | 0 | 109.4 | L427 L428 | L425-L427 PolarHBondContact O-N 2.9Å; L425-L428 HydrophobicContact CB-CD2 4.36Å | ||
| 426 | N | 82.2 | Confident | 89.1 | Confident | 112 Ų | 112 | 53.6 Ų | 53.6 | 60% | 0.599 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -54.5 | -14.7 | 179.3 | 65.9 | 10.6 | 0 | 0 | 0 | 115.2 | H424 R451 I452 | H424-N426 PolarHBondContact O-N 2.85Å; N426-R451 WeakPolarHBondContact O-CA 3.49Å; N426-I452 PolarHBondContact O-N 2.99Å |
| 427 | L | 88.6 | Confident | 89.3 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 93.8 | 172.2 | -178.3 | 61.4 | 0 | 0 | 0 | 110 | L425 R429 Q449 I450 R451 | L425-L427 PolarHBondContact O-N 2.9Å; L427-R429 HydrophobicContact CG-CG 4.2Å; L427-Q449 HydrophobicContact CD1-CB 4.29Å; L427-I450 CarbonylContact C-O 3.54Å; L427-I450 WeakPolarHBondContact CA-O 3.41Å; L427-R451 HydrophobicContact CD1-CB 4.43Å |
| 428 | L | 89.5 | Confident | 89.5 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 133.7 | 172.5 | -59 | 177 | 0 | 0 | 0 | 109.6 | L372 F373 L425 Q449 I450 I452 | L372-L428 HydrophobicContact CD1-CD1 3.84Å; F373-L428 HydrophobicContact CE2-CD1 3.87Å; F373-L428 HydrophobicContact CZ-CD1 3.83Å; L425-L428 HydrophobicContact CB-CD2 4.36Å; L428-Q449 WeakPolarHBondContact O-CA 3.22Å; L428-I450 HydrophobicContact CB-CB 4.42Å; L428-I450 PolarHBondContact N-O 2.95Å; L428-I450 PolarHBondContact O-N 2.64Å; L428-I452 HydrophobicContact CD1-CD1 4.2Å; L428-I452 HydrophobicContact CG-CD1 4.31Å |
| 429 | R | 92.2 | Very high | 89.6 | Confident | 144 Ų | 144 | 54.3 Ų | 54.3 | 54% | 0.543 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 127.8 | 175.3 | -56.8 | -166.3 | -167.4 | 179.3 | 5.8 | 111.6 | L427 I448 Q449 | L427-R429 HydrophobicContact CG-CG 4.2Å; R429-I448 WeakPolarHBondContact CA-O 3.4Å; R429-Q449 HydrophobicContact CG-CG 4.21Å |
| 430 | F | 93.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 178.7 | 178.5 | 54.5 | -88.7 | 0 | 0 | 0 | 109.5 | I362 D364 A369 F373 L413 L432 I448 I450 | I362-F430 HydrophobicContact CG2-CD2 3.78Å; I362-F430 HydrophobicContact CG2-CE2 4.11Å; I362-F430 HydrophobicContact CG2-CG 4.44Å; D364-F430 HydrophobicContact CB-CB 3.73Å; A369-F430 HydrophobicContact CB-CB 4.27Å; A369-F430 HydrophobicContact CB-CD1 3.46Å; A369-F430 VanDerWaalsContact CB-CD1 3.46Å; A369-F430 HydrophobicContact CB-CD2 4.04Å; A369-F430 HydrophobicContact CB-CE1 3.64Å; A369-F430 HydrophobicContact CB-CE2 4.18Å; A369-F430 HydrophobicContact CB-CG 3.67Å; A369-F430 HydrophobicContact CB-CZ 3.98Å; F373-F430 AromaticContact CD2-CE1 3.91Å; F373-F430 HydrophobicContact CD2-CE1 3.91Å; F373-F430 AromaticContact CD2-CZ 3.66Å; F373-F430 HydrophobicContact CD2-CZ 3.66Å; F373-F430 AromaticContact CE2-CE1 3.74Å; F373-F430 HydrophobicContact CE2-CE1 3.74Å; F373-F430 AromaticContact CE2-CZ 3.92Å; F373-F430 HydrophobicContact CE2-CZ 3.92Å; F373-F430 HydrophobicContact CG-CZ 4.48Å; L413-F430 HydrophobicContact CD2-CE2 4.34Å; L413-F430 HydrophobicContact CD2-CZ 3.95Å; F430-L432 HydrophobicContact CD2-CD2 4.41Å; F430-L432 HydrophobicContact CE2-CD2 4.06Å; F430-I448 HydrophobicContact CD2-CB 3.95Å; F430-I448 HydrophobicContact CD2-CG1 4.17Å; F430-I448 HydrophobicContact CD2-CG2 4.47Å; F430-I448 HydrophobicContact CE1-CB 4.32Å; F430-I448 HydrophobicContact CE1-CG2 3.93Å; F430-I448 HydrophobicContact CE2-CB 3.68Å; F430-I448 HydrophobicContact CE2-CG1 3.81Å; F430-I448 HydrophobicContact CE2-CG2 3.79Å; F430-I448 HydrophobicContact CG-CB 4.4Å; F430-I448 HydrophobicContact CZ-CB 3.89Å; F430-I448 HydrophobicContact CZ-CG1 4.4Å; F430-I448 HydrophobicContact CZ-CG2 3.48Å; F430-I448 VanDerWaalsContact CZ-CG2 3.48Å; F430-I448 PolarHBondContact N-O 2.89Å; F430-I448 PolarHBondContact O-N 2.72Å; F430-I450 HydrophobicContact CE1-CD1 4.01Å; F430-I450 HydrophobicContact CZ-CD1 3.96Å |
| 431 | H | 94.9 | Very high | 89.8 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 29% | 0.292 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151.9 | 175.5 | -53 | 95.6 | 0 | 0 | 0 | 111.7 | D363 C446 | D363-H431 HydrophobicContact CB-CB 4.29Å; D363-H431 PolarHBondContact N-O 3.01Å; D363-H431 PolarHBondContact O-N 3.4Å; D363-H431 IonicContact OD2-ND1 2.81Å; H431-C446 CarbonylContact C-O 3.57Å; H431-C446 WeakPolarHBondContact CA-O 3.39Å; H431-C446 WeakPolarHBondContact CB-O 3.48Å |
| 432 | L | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.4 | 157 | -54.7 | -173.8 | 0 | 0 | 0 | 107.7 | F324 F345 I360 I362 I375 L413 F430 R445 C446 I448 | F324-L432 HydrophobicContact CE1-CB 4.3Å; F324-L432 HydrophobicContact CZ-CB 3.89Å; F345-L432 HydrophobicContact CD1-CD1 4.22Å; F345-L432 HydrophobicContact CE1-CD1 3.64Å; F345-L432 HydrophobicContact CZ-CD1 3.92Å; I360-L432 HydrophobicContact CG2-CB 3.89Å; I362-L432 HydrophobicContact CG1-CD2 3.96Å; I375-L432 HydrophobicContact CD1-CD2 3.92Å; I375-L432 HydrophobicContact CG1-CD2 4.43Å; L413-L432 HydrophobicContact CD1-CD2 4.43Å; F430-L432 HydrophobicContact CD2-CD2 4.41Å; F430-L432 HydrophobicContact CE2-CD2 4.06Å; L432-R445 WeakPolarHBondContact O-CA 3.45Å; L432-C446 PolarHBondContact N-O 3.03Å; L432-C446 PolarHBondContact O-N 2.81Å; L432-I448 HydrophobicContact CD1-CD1 3.98Å; L432-I448 HydrophobicContact CD1-CG1 4.2Å; L432-I448 HydrophobicContact CD2-CG1 4.15Å; L432-I448 HydrophobicContact CG-CD1 3.98Å; L432-I448 HydrophobicContact CG-CG1 3.68Å |
| 433 | V | 94.9 | Very high | 90.5 | Very high | 30 Ų | 30 | 61.7 Ų | 61.7 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.3 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | I360 V361 D363 S444 R445 | I360-V433 CarbonylContact C-O 3.57Å; I360-V433 VanDerWaalsContact CA-O 3.3Å; I360-V433 WeakPolarHBondContact CA-O 3.44Å; I360-V433 WeakPolarHBondContact CG2-O 3.1Å; V361-V433 PolarHBondContact N-O 2.96Å; V361-V433 PolarHBondContact O-N 2.91Å; D363-V433 HydrophobicContact CB-CG2 3.61Å; V433-S444 CarbonylContact C-O 3.55Å; V433-S444 WeakPolarHBondContact CA-O 3.41Å; V433-R445 HydrophobicContact CG2-CB 4.24Å |
| 434 | A | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | P322 F324 L347 V358 T359 I360 S443 S444 | P322-A434 HydrophobicContact CB-CB 4.19Å; P322-A434 HydrophobicContact CG-CB 4.3Å; F324-A434 HydrophobicContact CE2-CB 3.64Å; F324-A434 HydrophobicContact CZ-CB 3.77Å; L347-A434 HydrophobicContact CD1-CB 3.88Å; L347-A434 HydrophobicContact CD2-CB 3.99Å; V358-A434 HydrophobicContact CG1-CB 3.91Å; T359-A434 CarbonylContact O-C 3.49Å; T359-A434 WeakPolarHBondContact O-CA 3.45Å; I360-A434 HydrophobicContact CG1-CB 4.37Å; A434-S443 CarbonylContact O-C 3.57Å; A434-S443 WeakPolarHBondContact O-CA 3.3Å; A434-S443 WeakPolarHBondContact O-CB 3.38Å; A434-S444 PolarHBondContact N-O 3.06Å; A434-S444 PolarHBondContact O-N 2.97Å |
| 435 | N | 94.1 | Very high | 91.4 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136 | 174.5 | -45.8 | -77 | 0 | 0 | 0 | 108.6 | V358 T359 I441 S443 | V358-N435 WeakPolarHBondContact CA-O 3.33Å; V358-N435 WeakPolarHBondContact CG1-O 3.41Å; T359-N435 PolarHBondContact N-O 3.36Å; T359-N435 PolarHBondContact O-N 2.76Å; T359-N435 PolarHBondContact OG1-O 3.28Å; N435-I441 HydrophobicContact CB-CG2 4.13Å; N435-S443 VanDerWaalsContact OD1-CB 3.3Å; N435-S443 WeakPolarHBondContact OD1-CB 3.44Å |
| 436 | D | 93.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | trans | -74.6 | -170.9 | 173.1 | 71.4 | 43.1 | 0 | 0 | 0 | 112.5 | N318 P322 N355 R357 G438 I441 L442 | N318-D436 PolarHBondContact ND2-OD2 3.21Å; P322-D436 HydrophobicContact CG-CB 4.35Å; N355-D436 WeakPolarHBondContact O-CB 3.22Å; R357-D436 CarbonylContact O-C 3.54Å; R357-D436 VanDerWaalsContact O-C 3.31Å; R357-D436 WeakPolarHBondContact O-CA 3.48Å; D436-G438 PolarHBondContact OD1-N 2.87Å; D436-I441 WeakPolarHBondContact OD1-CA 3.17Å; D436-L442 PolarHBondContact N-O 3.44Å; D436-L442 VanDerWaalsContact N-O 3.11Å; D436-L442 PolarHBondContact OD1-N 2.86Å; D436-L442 WeakPolarHBondContact OD2-CA 3.41Å; D436-L442 WeakPolarHBondContact OD2-CB 3.4Å; D436-L442 PolarHBondContact OD2-N 3.31Å | ||
| 437 | H | 92 | Very high | 92.6 | Very high | 72 Ų | 72 | 52.7 Ų | 52.7 | 33% | 0.333 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -119.1 | 8.2 | 174.9 | -88.2 | -121 | 0 | 0 | 0 | 112.6 | D354 R357 T359 | D354-H437 HydrophobicContact CB-CB 4.29Å; D354-H437 CarbonylContact O-C 3.24Å; D354-H437 WeakPolarHBondContact O-CA 3.43Å; D354-H437 WeakPolarHBondContact O-CB 3.28Å; D354-H437 PolarHBondContact O-N 3.07Å; R357-H437 HydrophobicContact CB-CB 4.22Å; R357-H437 HydrophobicContact CG-CB 4.48Å; R357-H437 WeakPolarHBondContact O-CB 3.46Å; R357-H437 PolarHBondContact O-CD2 3.17Å; R357-H437 PolarHBondContact O-N 3.13Å; T359-H437 WeakPolarHBondContact CG2-NE2 3.4Å |
| 438 | G | 88.8 | Confident | 92.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -79.5 | -171.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N318 D354 N355 D436 I441 | N318-G438 WeakPolarHBondContact OD1-CA 3.41Å; D354-G438 PolarHBondContact O-N 3.18Å; N355-G438 VanDerWaalsContact OD1-CA 3.29Å; N355-G438 WeakPolarHBondContact OD1-CA 3.34Å; D436-G438 PolarHBondContact OD1-N 2.87Å; G438-I441 VanDerWaalsContact O-CG1 3.29Å; G438-I441 WeakPolarHBondContact O-CG1 3.39Å |
| 439 | Q | 86 | Confident | 93.1 | Very high | 150 Ų | 150 | 50.8 Ų | 50.8 | 70% | 0.701 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -140.2 | 113 | 179.6 | -68.3 | -66.2 | -72.8 | 0 | 0 | 110.1 | ||
| 440 | P | 89.7 | Confident | 93 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 57% | 0.571 | 22% | 0.221 | S | C | * | . | S | Bend | cis | -66.8 | 152.3 | -0.7 | 31.9 | -36.7 | 0 | 0 | 0 | 112.2 | N318 L442 | N318-P440 PolarHBondContact ND2-O 3.09Å; P440-L442 HydrophobicContact CG-CD2 4.35Å; P440-L442 PolarHBondContact O-N 3.47Å |
| 441 | I | 91.7 | Very high | 92.9 | Very high | 98 Ų | 98 | 48.8 Ų | 48.8 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 120.8 | 173.7 | -59.7 | 170.8 | 0 | 0 | 0 | 108.7 | N435 D436 G438 | N435-I441 HydrophobicContact CB-CG2 4.13Å; D436-I441 WeakPolarHBondContact OD1-CA 3.17Å; G438-I441 VanDerWaalsContact O-CG1 3.29Å; G438-I441 WeakPolarHBondContact O-CG1 3.39Å |
| 442 | L | 93.7 | Very high | 92.7 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 14% | 0.141 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -98.3 | 158.9 | 171.8 | -50.2 | 173.6 | 0 | 0 | 0 | 109.8 | N318 N320 D436 P440 | N318-L442 WeakPolarHBondContact ND2-CG 3.39Å; N320-L442 WeakPolarHBondContact O-CD1 3.47Å; D436-L442 PolarHBondContact N-O 3.44Å; D436-L442 VanDerWaalsContact N-O 3.11Å; D436-L442 PolarHBondContact OD1-N 2.86Å; D436-L442 WeakPolarHBondContact OD2-CA 3.41Å; D436-L442 WeakPolarHBondContact OD2-CB 3.4Å; D436-L442 PolarHBondContact OD2-N 3.31Å; P440-L442 HydrophobicContact CG-CD2 4.35Å; P440-L442 PolarHBondContact O-N 3.47Å |
| 443 | S | 93.7 | Very high | 92.3 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 158.2 | -173.5 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | H321 A434 N435 | H321-S443 PolarHBondContact ND1-O 3.17Å; A434-S443 CarbonylContact O-C 3.57Å; A434-S443 WeakPolarHBondContact O-CA 3.3Å; A434-S443 WeakPolarHBondContact O-CB 3.38Å; N435-S443 VanDerWaalsContact OD1-CB 3.3Å; N435-S443 WeakPolarHBondContact OD1-CB 3.44Å |
| 444 | S | 94 | Very high | 92 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 173.6 | 169.8 | 84 | 0 | 0 | 0 | 0 | 111.2 | P322 F324 V433 A434 | P322-S444 WeakPolarHBondContact O-CB 3.47Å; P322-S444 PolarHBondContact O-OG 3.09Å; F324-S444 WeakPolarHBondContact CD2-OG 3.26Å; V433-S444 CarbonylContact C-O 3.55Å; V433-S444 WeakPolarHBondContact CA-O 3.41Å; A434-S444 PolarHBondContact N-O 3.06Å; A434-S444 PolarHBondContact O-N 2.97Å |
| 445 | R | 93.3 | Very high | 91.6 | Very high | 180 Ų | 180 | 54.2 Ų | 54.2 | 68% | 0.679 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 144.4 | 179.6 | 55.7 | -179.1 | 161.2 | -171.3 | -8.5 | 112.2 | L432 V433 | L432-R445 WeakPolarHBondContact O-CA 3.45Å; V433-R445 HydrophobicContact CG2-CB 4.24Å |
| 446 | C | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.3 | 167.2 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | F324 Q326 N327 Y329 H431 L432 | F324-C446 HydrophobicContact CB-CB 4.3Å; F324-C446 HydrophobicContact CD1-CB 4.42Å; F324-C446 VanDerWaalsContact CD1-SG 3.58Å; F324-C446 HydrophobicContact CD2-CB 3.96Å; F324-C446 VanDerWaalsContact CE1-SG 3.56Å; F324-C446 HydrophobicContact CE2-CB 4.36Å; F324-C446 HydrophobicContact CG-CB 4Å; Q326-C446 WeakPolarHBondContact O-CB 3.49Å; N327-C446 CarbonylContact O-C 3.55Å; N327-C446 VanDerWaalsContact O-CA 3.26Å; N327-C446 WeakPolarHBondContact O-CA 3.37Å; N327-C446 WeakPolarHBondContact O-CB 3.26Å; Y329-C446 HydrophobicContact CD2-CB 4.46Å; Y329-C446 HydrophobicContact CE2-CB 4.38Å; H431-C446 CarbonylContact C-O 3.57Å; H431-C446 WeakPolarHBondContact CA-O 3.39Å; H431-C446 WeakPolarHBondContact CB-O 3.48Å; L432-C446 PolarHBondContact N-O 3.03Å; L432-C446 PolarHBondContact O-N 2.81Å |
| 447 | E | 95.3 | Very high | 91.1 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.6 | 175.5 | -171.4 | -172.1 | -166.9 | 0 | 0 | 110.6 | N327 A328 Y329 Q449 | N327-E447 PolarHBondContact O-N 3.41Å; A328-E447 CarbonylContact C-O 3.51Å; A328-E447 WeakPolarHBondContact CA-O 3.16Å; A328-E447 HydrophobicContact CB-CB 3.92Å; Y329-E447 PolarHBondContact N-O 3.4Å; E447-Q449 HydrophobicContact CG-CG 4.05Å; E447-Q449 PolarHBondContact OE1-NE2 2.96Å; E447-Q449 PolarHBondContact OE2-NE2 3.37Å; E447-Q449 VanDerWaalsContact OE2-NE2 3.14Å |
| 448 | I | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.6 | 169.2 | -57.6 | -58 | 0 | 0 | 0 | 108.5 | Y329 I343 L413 R429 F430 L432 I450 | Y329-I448 HydrophobicContact CD2-CD1 4.19Å; Y329-I448 HydrophobicContact CG-CD1 4.48Å; I343-I448 HydrophobicContact CD1-CD1 4.14Å; I343-I448 HydrophobicContact CD1-CG2 3.71Å; L413-I448 HydrophobicContact CD2-CG2 4.07Å; R429-I448 WeakPolarHBondContact CA-O 3.4Å; F430-I448 HydrophobicContact CD2-CB 3.95Å; F430-I448 HydrophobicContact CD2-CG1 4.17Å; F430-I448 HydrophobicContact CD2-CG2 4.47Å; F430-I448 HydrophobicContact CE1-CB 4.32Å; F430-I448 HydrophobicContact CE1-CG2 3.93Å; F430-I448 HydrophobicContact CE2-CB 3.68Å; F430-I448 HydrophobicContact CE2-CG1 3.81Å; F430-I448 HydrophobicContact CE2-CG2 3.79Å; F430-I448 HydrophobicContact CG-CB 4.4Å; F430-I448 HydrophobicContact CZ-CB 3.89Å; F430-I448 HydrophobicContact CZ-CG1 4.4Å; F430-I448 HydrophobicContact CZ-CG2 3.48Å; F430-I448 VanDerWaalsContact CZ-CG2 3.48Å; F430-I448 PolarHBondContact N-O 2.89Å; F430-I448 PolarHBondContact O-N 2.72Å; L432-I448 HydrophobicContact CD1-CD1 3.98Å; L432-I448 HydrophobicContact CD1-CG1 4.2Å; L432-I448 HydrophobicContact CD2-CG1 4.15Å; L432-I448 HydrophobicContact CG-CD1 3.98Å; L432-I448 HydrophobicContact CG-CG1 3.68Å; I448-I450 HydrophobicContact CG2-CD1 3.85Å; I448-I450 HydrophobicContact CG2-CG1 3.88Å |
| 449 | Q | 93.5 | Very high | 91.1 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 114.6 | 172.4 | -57.2 | -176.3 | -25.8 | 0 | 0 | 109.3 | Y329 R330 A331 L427 L428 R429 E447 | Y329-Q449 PolarHBondContact O-N 2.71Å; R330-Q449 WeakPolarHBondContact CA-O 3.39Å; R330-Q449 HydrophobicContact CG-CB 4.29Å; R330-Q449 VanDerWaalsContact NH2-OE1 3.07Å; A331-Q449 PolarHBondContact N-O 3.26Å; L427-Q449 HydrophobicContact CD1-CB 4.29Å; L428-Q449 WeakPolarHBondContact O-CA 3.22Å; R429-Q449 HydrophobicContact CG-CG 4.21Å; E447-Q449 HydrophobicContact CG-CG 4.05Å; E447-Q449 PolarHBondContact OE1-NE2 2.96Å; E447-Q449 PolarHBondContact OE2-NE2 3.37Å; E447-Q449 VanDerWaalsContact OE2-NE2 3.14Å |
| 450 | I | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 113.3 | 178.3 | -64.4 | 161.9 | 0 | 0 | 0 | 108.3 | A331 V333 I342 I343 F373 L413 L427 L428 F430 I448 | A331-I450 WeakPolarHBondContact O-CA 3.33Å; V333-I450 HydrophobicContact CB-CG2 4.28Å; V333-I450 HydrophobicContact CG2-CG2 3.91Å; I342-I450 HydrophobicContact CD1-CD1 3.55Å; I342-I450 HydrophobicContact CD1-CG1 4.27Å; I343-I450 HydrophobicContact CD1-CG1 4.41Å; F373-I450 HydrophobicContact CD1-CD1 4.44Å; F373-I450 HydrophobicContact CD2-CD1 4.4Å; F373-I450 HydrophobicContact CE1-CD1 3.85Å; F373-I450 HydrophobicContact CE2-CD1 3.79Å; F373-I450 HydrophobicContact CZ-CD1 3.49Å; F373-I450 VanDerWaalsContact CZ-CD1 3.49Å; L413-I450 HydrophobicContact CD2-CD1 3.9Å; L427-I450 CarbonylContact C-O 3.54Å; L427-I450 WeakPolarHBondContact CA-O 3.41Å; L428-I450 HydrophobicContact CB-CB 4.42Å; L428-I450 PolarHBondContact N-O 2.95Å; L428-I450 PolarHBondContact O-N 2.64Å; F430-I450 HydrophobicContact CE1-CD1 4.01Å; F430-I450 HydrophobicContact CZ-CD1 3.96Å; I448-I450 HydrophobicContact CG2-CD1 3.85Å; I448-I450 HydrophobicContact CG2-CG1 3.88Å |
| 451 | R | 91.3 | Very high | 91.5 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 40% | 0.404 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128 | 165.7 | 179.8 | -174.5 | -57.9 | -74.4 | 2.7 | 108.5 | A331 E332 V333 N426 L427 | A331-R451 PolarHBondContact O-N 2.76Å; E332-R451 WeakPolarHBondContact CA-O 3.23Å; E332-R451 HydrophobicContact CB-CB 4.25Å; E332-R451 HydrophobicContact CG-CB 4Å; E332-R451 VanDerWaalsContact OE1-CD 3.3Å; E332-R451 WeakPolarHBondContact OE1-CD 3.48Å; E332-R451 IonicContact OE1-CZ 3.11Å; E332-R451 IonicContact OE1-NE 2.78Å; E332-R451 PolarHBondContact OE1-NE 2.94Å; E332-R451 IonicContact OE1-NH2 3.14Å; V333-R451 PolarHBondContact N-O 3.06Å; N426-R451 WeakPolarHBondContact O-CA 3.49Å; L427-R451 HydrophobicContact CD1-CB 4.43Å |
| 452 | I | 89.6 | Confident | 91.6 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.4 | 164.4 | -50.4 | 178.6 | 0 | 0 | 0 | 107.2 | V333 E335 L419 A421 H424 N426 L428 | V333-I452 CarbonylContact O-C 3.55Å; V333-I452 WeakPolarHBondContact O-CA 3.04Å; E335-I452 HydrophobicContact CB-CG2 4.07Å; L419-I452 HydrophobicContact CD1-CG1 4.46Å; A421-I452 HydrophobicContact CB-CG2 3.85Å; H424-I452 HydrophobicContact CB-CD1 3.56Å; N426-I452 PolarHBondContact O-N 2.99Å; L428-I452 HydrophobicContact CD1-CD1 4.2Å; L428-I452 HydrophobicContact CG-CD1 4.31Å |
| 453 | I | 87.7 | Confident | 91.5 | Very high | 76 Ų | 76 | 44.1 Ų | 44.1 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.1 | 170.4 | -51 | 171.8 | 0 | 0 | 0 | 106.2 | E332 V333 E335 | E332-I453 HydrophobicContact CB-CD1 3.96Å; E332-I453 HydrophobicContact CB-CG1 4.25Å; V333-I453 PolarHBondContact O-N 2.74Å; E335-I453 PolarHBondContact N-O 3.31Å |
| 454 | N | 87.7 | Confident | 91.5 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -62.7 | 144.1 | 173.1 | 165.1 | -77.3 | 0 | 0 | 0 | 110.3 | E335 A421 E422 D498 | E335-N454 WeakPolarHBondContact OE1-CA 3.29Å; A421-N454 HydrophobicContact CB-CB 3.93Å; E422-N454 PolarHBondContact OE1-ND2 3.33Å; N454-D498 WeakPolarHBondContact ND2-CA 3.33Å; N454-D498 WeakPolarHBondContact ND2-CB 3.37Å |
| 455 | V | 87 | Confident | 91.3 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 38% | 0.382 | 20% | 0.199 | S | C | . | . | trans | -136.3 | 117 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | A334 E335 D457 | A334-V455 HydrophobicContact CB-CG2 3.95Å; E335-V455 HydrophobicContact CG-CB 3.96Å; E335-V455 HydrophobicContact CG-CG2 4.17Å; E335-V455 PolarHBondContact OE1-N 3.31Å; V455-D457 PolarHBondContact O-N 3.15Å | ||
| 456 | N | 88.9 | Confident | 91 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 11% | 0.107 | 18% | 0.179 | C | C | . | . | trans | -48 | 100.1 | -179 | -160.7 | 59.9 | 0 | 0 | 0 | 112.7 | D498 S499 D575 E577 Y580 L582 | N456-D498 WeakPolarHBondContact CA-OD2 3.32Å; N456-S499 PolarHBondContact OD1-OG 3.37Å; N456-D575 VanDerWaalsContact ND2-CG 3.28Å; N456-D575 PolarHBondContact ND2-OD1 2.88Å; N456-D575 PolarHBondContact ND2-OD2 3.29Å; N456-E577 HydrophobicContact CB-CB 4.4Å; N456-E577 HydrophobicContact CB-CG 4.34Å; N456-Y580 PolarHBondContact ND2-O 2.93Å; N456-L582 WeakPolarHBondContact ND2-CG 3.07Å | ||
| 457 | D | 88.4 | Confident | 90.4 | Very high | 68 Ų | 68 | 43 Ų | 43 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | trans | -131.6 | -14.7 | -178.2 | 101.4 | -3.7 | 0 | 0 | 0 | 113.6 | N336 V455 P459 D498 | N336-D457 PolarHBondContact ND2-OD2 3.18Å; V455-D457 PolarHBondContact O-N 3.15Å; D457-P459 WeakPolarHBondContact O-CD 3.24Å; D457-D498 PolarHBondContact N-OD2 2.88Å | ||
| 458 | N | 89.3 | Confident | 89.5 | Confident | 43 Ų | 43 | 43.4 Ų | 43.4 | 23% | 0.23 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -104.8 | 89.1 | 177.6 | -68.4 | -76.8 | 0 | 0 | 0 | 112.2 | D497 D498 | N458-D497 HydrophobicContact CB-CB 4.3Å; N458-D498 WeakPolarHBondContact CB-OD1 3.44Å; N458-D498 WeakPolarHBondContact CB-OD2 3.47Å; N458-D498 PolarHBondContact N-OD2 2.94Å; N458-D498 PolarHBondContact ND2-OD1 3.34Å |
| 459 | P | 91.9 | Very high | 88.9 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | trans | -55.9 | 156.8 | -179.1 | -3.7 | -0.1 | 0 | 0 | 0 | 113.1 | D457 K461 L582 R584 | D457-P459 WeakPolarHBondContact O-CD 3.24Å; P459-K461 PolarHBondContact O-N 2.98Å; P459-L582 HydrophobicContact CB-CB 3.84Å; P459-L582 HydrophobicContact CG-CB 4.24Å; P459-L582 HydrophobicContact CG-CD1 4.19Å; P459-R584 HydrophobicContact CB-CB 4.35Å; P459-R584 PolarHBondContact O-NH1 2.86Å | ||
| 460 | P | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -50.8 | 135.3 | -175.6 | -31.5 | 33 | 0 | 0 | 0 | 115.6 | V494 D496 I504 C573 R584 | P460-V494 HydrophobicContact CB-CG1 4.17Å; P460-D496 VanDerWaalsContact CA-OD2 3.26Å; P460-D496 WeakPolarHBondContact CA-OD2 3.36Å; P460-D496 VanDerWaalsContact CD-OD2 3.24Å; P460-D496 WeakPolarHBondContact CD-OD2 3.39Å; P460-D496 VanDerWaalsContact CG-OD2 3.27Å; P460-D496 WeakPolarHBondContact CG-OD2 3.22Å; P460-I504 HydrophobicContact CB-CG2 4.37Å; P460-I504 HydrophobicContact CG-CG2 4.37Å; P460-C573 HydrophobicContact CB-CB 3.75Å; P460-C573 HydrophobicContact CG-CB 4.31Å; P460-R584 VanDerWaalsContact C-NH1 3.33Å; P460-R584 VanDerWaalsContact O-CB 3.27Å; P460-R584 WeakPolarHBondContact O-CB 3.14Å; P460-R584 WeakPolarHBondContact O-CD 3.36Å; P460-R584 PolarHBondContact O-NH1 2.65Å | ||
| 461 | K | 91.9 | Very high | 88.3 | Confident | 65 Ų | 65 | 60 Ų | 60 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 100.6 | -176.5 | -63.9 | 173 | -171 | 176.5 | 0 | 110.6 | P459 V494 T495 D497 | P459-K461 PolarHBondContact O-N 2.98Å; K461-V494 WeakPolarHBondContact O-CA 3.49Å; K461-T495 WeakPolarHBondContact CA-O 3.43Å; K461-T495 WeakPolarHBondContact CB-O 3.14Å; K461-T495 PolarHBondContact N-O 3.48Å; K461-T495 PolarHBondContact O-N 3.35Å; K461-D497 WeakPolarHBondContact CD-OD1 3.44Å; K461-D497 VanDerWaalsContact CE-OD1 3.28Å; K461-D497 WeakPolarHBondContact CE-OD1 3.25Å; K461-D497 IonicContact NZ-OD1 2.68Å; K461-D497 PolarHBondContact NZ-OD1 2.89Å; K461-D497 IonicContact NZ-OD2 2.93Å; K461-D497 PolarHBondContact NZ-OD2 2.97Å |
| 462 | I | 92.9 | Very high | 87.6 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 132.2 | -178.6 | -50.9 | 177.6 | 0 | 0 | 0 | 111.1 | F464 V492 V571 C573 R584 A586 | I462-F464 HydrophobicContact CG2-CZ 4.46Å; I462-V492 HydrophobicContact CG2-CG1 3.5Å; I462-V571 HydrophobicContact CD1-CG1 4.35Å; I462-C573 HydrophobicContact CD1-CB 3.88Å; I462-C573 VanDerWaalsContact CD1-SG 3.6Å; I462-C573 HydrophobicContact CG1-CB 4.06Å; I462-R584 VanDerWaalsContact CD1-O 3.28Å; I462-R584 WeakPolarHBondContact CD1-O 3.28Å; I462-A586 HydrophobicContact CB-CB 3.81Å; I462-A586 HydrophobicContact CD1-CB 4.07Å; I462-A586 HydrophobicContact CG1-CB 4.49Å; I462-A586 HydrophobicContact CG2-CB 3.86Å |
| 463 | V | 91.7 | Very high | 87.1 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 120 | 179.7 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | L465 R470 V492 H493 | V463-L465 HydrophobicContact CG1-CD1 4.2Å; V463-L465 HydrophobicContact CG1-CG 4.44Å; V463-L465 WeakPolarHBondContact O-CD1 3.45Å; V463-R470 HydrophobicContact CG1-CB 4.42Å; V463-R470 HydrophobicContact CG1-CG 3.65Å; V463-V492 WeakPolarHBondContact O-CA 3.37Å; V463-H493 HydrophobicContact CB-CB 4.47Å; V463-H493 PolarHBondContact N-O 2.92Å; V463-H493 PolarHBondContact O-N 2.89Å |
| 464 | F | 93.5 | Very high | 87 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.5 | 171.8 | -57.6 | -70.1 | 0 | 0 | 0 | 111.8 | I462 L471 V492 I553 V571 A586 L588 | I462-F464 HydrophobicContact CG2-CZ 4.46Å; F464-L471 HydrophobicContact CB-CB 4.36Å; F464-L471 HydrophobicContact CB-CD1 4.16Å; F464-L471 PolarHBondContact O-N 3.29Å; F464-V492 HydrophobicContact CD1-CG1 4.3Å; F464-V492 HydrophobicContact CD1-CG2 3.82Å; F464-V492 HydrophobicContact CE1-CG1 4.26Å; F464-V492 HydrophobicContact CE1-CG2 3.97Å; F464-I553 HydrophobicContact CD1-CD1 4.09Å; F464-I553 HydrophobicContact CE1-CD1 3.88Å; F464-V571 HydrophobicContact CE1-CG2 4.14Å; F464-V571 HydrophobicContact CZ-CG2 4.45Å; F464-A586 HydrophobicContact CE2-CB 3.76Å; F464-A586 HydrophobicContact CZ-CB 3.98Å; F464-L588 HydrophobicContact CB-CD1 4.38Å; F464-L588 HydrophobicContact CD1-CB 4.09Å; F464-L588 HydrophobicContact CD1-CD2 4.33Å; F464-L588 HydrophobicContact CD2-CB 4.27Å; F464-L588 HydrophobicContact CE1-CB 3.94Å; F464-L588 HydrophobicContact CE2-CB 4.1Å; F464-L588 HydrophobicContact CG-CB 4.28Å; F464-L588 HydrophobicContact CG-CD1 4.28Å; F464-L588 HydrophobicContact CZ-CB 3.94Å |
| 465 | L | 89.2 | Confident | 87.2 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 12% | 0.12 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.5 | 173.6 | -54.7 | 97.2 | 0 | 0 | 0 | 112 | V463 K469 A490 L491 H493 | V463-L465 HydrophobicContact CG1-CD1 4.2Å; V463-L465 HydrophobicContact CG1-CG 4.44Å; V463-L465 WeakPolarHBondContact O-CD1 3.45Å; L465-K469 CarbonylContact C-O 3.59Å; L465-K469 WeakPolarHBondContact CA-O 3.47Å; L465-A490 CarbonylContact O-C 3.55Å; L465-A490 WeakPolarHBondContact O-CA 3.14Å; L465-L491 HydrophobicContact CB-CB 4.47Å; L465-L491 PolarHBondContact N-O 3.06Å; L465-L491 PolarHBondContact O-N 2.83Å; L465-H493 HydrophobicContact CD1-CB 3.86Å; L465-H493 VanDerWaalsContact CD1-CG 3.43Å |
| 466 | N | 88 | Confident | 87.5 | Confident | 49 Ų | 49 | 64.1 Ų | 64.1 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.4 | 169.4 | -179.4 | -0.9 | 0 | 0 | 0 | 108.7 | G468 K469 L471 I476 | N466-G468 PolarHBondContact O-N 3.45Å; N466-G468 VanDerWaalsContact O-N 3.13Å; N466-K469 PolarHBondContact N-O 3.35Å; N466-K469 PolarHBondContact O-N 2.92Å; N466-L471 HydrophobicContact CB-CD1 4.24Å; N466-L471 HydrophobicContact CB-CD2 3.91Å; N466-L471 HydrophobicContact CB-CG 4.23Å; N466-I476 HydrophobicContact CB-CD1 4.25Å; N466-I476 WeakPolarHBondContact ND2-CD1 3.33Å |
| 467 | N | 81.9 | Confident | 87.6 | Confident | 158 Ų | 158 | 66.7 Ų | 66.7 | 85% | 0.845 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 43.5 | 179.4 | -68.9 | -36.1 | 0 | 0 | 0 | 113.7 | K469 | N467-K469 VanDerWaalsContact C-N 3.27Å; N467-K469 PolarHBondContact O-N 3.4Å |
| 468 | G | 75.4 | Confident | 87.8 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 66% | 0.66 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 1.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N466 | N466-G468 PolarHBondContact O-N 3.45Å; N466-G468 VanDerWaalsContact O-N 3.13Å |
| 469 | K | 81.7 | Confident | 87.8 | Confident | 163 Ų | 163 | 64 Ų | 64 | 71% | 0.709 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133 | 176.5 | -64.1 | -179.6 | -178.6 | 176.6 | 0 | 110.9 | L465 N466 N467 L471 | L465-K469 CarbonylContact C-O 3.59Å; L465-K469 WeakPolarHBondContact CA-O 3.47Å; N466-K469 PolarHBondContact N-O 3.35Å; N466-K469 PolarHBondContact O-N 2.92Å; N467-K469 VanDerWaalsContact C-N 3.27Å; N467-K469 PolarHBondContact O-N 3.4Å; K469-L471 PolarHBondContact O-N 2.98Å |
| 470 | R | 86.4 | Confident | 87.6 | Confident | 174 Ų | 174 | 62.7 Ų | 62.7 | 66% | 0.657 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 129.7 | 172 | 178.9 | 169.9 | -175.3 | 164.7 | 4.6 | 110.6 | V463 S472 | V463-R470 HydrophobicContact CG1-CB 4.42Å; V463-R470 HydrophobicContact CG1-CG 3.65Å; R470-S472 PolarHBondContact O-N 2.95Å |
| 471 | L | 88 | Confident | 86.9 | Confident | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | trans | -81.4 | 106.5 | 172.3 | -61.7 | 177.1 | 0 | 0 | 0 | 108.6 | F464 N466 K469 I476 L588 | F464-L471 HydrophobicContact CB-CB 4.36Å; F464-L471 HydrophobicContact CB-CD1 4.16Å; F464-L471 PolarHBondContact O-N 3.29Å; N466-L471 HydrophobicContact CB-CD1 4.24Å; N466-L471 HydrophobicContact CB-CD2 3.91Å; N466-L471 HydrophobicContact CB-CG 4.23Å; K469-L471 PolarHBondContact O-N 2.98Å; L471-I476 HydrophobicContact CD1-CB 4.41Å; L471-L588 HydrophobicContact CD1-CD1 3.63Å | ||
| 472 | S | 75.2 | Confident | 86.4 | Confident | 119 Ų | 119 | 70.9 Ų | 70.9 | 83% | 0.832 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -76.6 | -24.4 | -174.6 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | R470 | R470-S472 PolarHBondContact O-N 2.95Š|
| 473 | D | 80.6 | Confident | 86 | Confident | 96 Ų | 96 | 70.4 Ų | 70.4 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -106.6 | -2.6 | -179.9 | 65.4 | -19.3 | 0 | 0 | 0 | 113.1 | R475 | D473-R475 HydrophobicContact CB-CG 4.31Å; D473-R475 PolarHBondContact OD1-N 2.74Å; D473-R475 WeakPolarHBondContact OD2-CB 3.22Å; D473-R475 WeakPolarHBondContact OD2-CD 3.5Å; D473-R475 WeakPolarHBondContact OD2-CG 3.42Å |
| 474 | G | 85.5 | Confident | 85.9 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 11% | 0.113 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 66.9 | 31.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | H589 | G474-H589 PolarHBondContact O-N 2.83Š|
| 475 | R | 92.1 | Very high | 85.6 | Confident | 159 Ų | 159 | 78.2 Ų | 78.2 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.8 | -177.2 | -55.2 | -173.5 | 177.2 | -164.9 | -6 | 113.6 | D473 H589 | D473-R475 HydrophobicContact CB-CG 4.31Å; D473-R475 PolarHBondContact OD1-N 2.74Å; D473-R475 WeakPolarHBondContact OD2-CB 3.22Å; D473-R475 WeakPolarHBondContact OD2-CD 3.5Å; D473-R475 WeakPolarHBondContact OD2-CG 3.42Å; R475-H589 WeakPolarHBondContact CA-O 3.33Å; R475-H589 HydrophobicContact CG-CB 4.38Å |
| 476 | I | 92.2 | Very high | 85.6 | Confident | 14 Ų | 14 | 86 Ų | 86 | 7% | 0.072 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 152.5 | 172.3 | -171 | 171.1 | 0 | 0 | 0 | 110.3 | N466 L471 L478 V489 L588 H589 I590 T591 | N466-I476 HydrophobicContact CB-CD1 4.25Å; N466-I476 WeakPolarHBondContact ND2-CD1 3.33Å; L471-I476 HydrophobicContact CD1-CB 4.41Å; I476-L478 HydrophobicContact CD1-CD2 4.37Å; I476-V489 HydrophobicContact CD1-CG1 4.12Å; I476-V489 WeakPolarHBondContact CD1-O 3.33Å; I476-V489 HydrophobicContact CG2-CG1 4.16Å; I476-L588 HydrophobicContact CG2-CD1 3.96Å; I476-L588 HydrophobicContact CG2-CD2 4.25Å; I476-L588 HydrophobicContact CG2-CG 4.13Å; I476-H589 PolarHBondContact N-O 2.77Å; I476-I590 HydrophobicContact CG2-CB 4.23Å; I476-I590 HydrophobicContact CG2-CG1 3.72Å; I476-I590 HydrophobicContact CG2-CG2 4.26Å; I476-I590 WeakPolarHBondContact O-CA 3.29Å; I476-T591 PolarHBondContact O-N 2.77Å |
| 477 | S | 91.9 | Very high | 85.8 | Confident | 74 Ų | 74 | 84.7 Ų | 84.7 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.3 | 171.4 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | T591 | S477-T591 VanDerWaalsContact CA-O 3.27Å; S477-T591 WeakPolarHBondContact CA-O 3.12Å |
| 478 | L | 90.9 | Very high | 86.2 | Confident | 17 Ų | 17 | 82 Ų | 82 | 9% | 0.089 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.2 | 175.1 | -60.5 | 176.1 | 0 | 0 | 0 | 109.6 | I476 V489 I590 T591 I592 T593 | I476-L478 HydrophobicContact CD1-CD2 4.37Å; L478-V489 HydrophobicContact CD1-CG1 4.07Å; L478-V489 HydrophobicContact CD1-CG2 3.85Å; L478-V489 HydrophobicContact CD2-CG1 4.47Å; L478-I590 HydrophobicContact CD1-CG2 3.66Å; L478-I590 HydrophobicContact CG-CG2 3.94Å; L478-T591 PolarHBondContact N-O 3.05Å; L478-I592 HydrophobicContact CB-CD1 4.29Å; L478-I592 CarbonylContact O-C 3.6Å; L478-I592 WeakPolarHBondContact O-CA 3.16Å; L478-T593 PolarHBondContact O-N 3.43Å; L478-T593 PolarHBondContact O-OG1 3.47Å |
| 479 | P | 89.7 | Confident | 87 | Confident | 39 Ų | 39 | 79 Ų | 79 | 25% | 0.253 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 140.4 | 169 | 29.5 | -33 | 0 | 0 | 0 | 110.8 | E482 T483 T593 I595 | P479-E482 HydrophobicContact CB-CB 4.16Å; P479-E482 HydrophobicContact CG-CB 4.02Å; P479-T483 WeakPolarHBondContact CD-OG1 3.27Å; P479-T483 WeakPolarHBondContact O-CB 3.26Å; P479-T483 PolarHBondContact O-OG1 2.89Å; P479-T593 WeakPolarHBondContact CA-OG1 3.31Å; P479-I595 HydrophobicContact CB-CD1 3.59Å |
| 480 | E | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 160.2 | 163.4 | 62.4 | -161.1 | 126.6 | 0 | 0 | 111.9 | E482 P559 R561 I592 D594 I595 | E480-E482 PolarHBondContact O-N 3.29Å; E480-P559 WeakPolarHBondContact CA-O 3.21Å; E480-P559 WeakPolarHBondContact CB-O 3.5Å; E480-R561 VanDerWaalsContact CD-CB 3.43Å; E480-R561 VanDerWaalsContact OE1-CB 3.23Å; E480-R561 WeakPolarHBondContact OE1-CB 3.35Å; E480-R561 IonicContact OE1-NE 2.67Å; E480-R561 WeakPolarHBondContact OE2-CA 3.48Å; E480-R561 WeakPolarHBondContact OE2-CB 3.47Å; E480-R561 PolarHBondContact OE2-N 2.85Å; E480-I592 HydrophobicContact CB-CG2 3.75Å; E480-D594 WeakPolarHBondContact OE1-CA 3.3Å; E480-I595 HydrophobicContact CG-CB 4.1Å; E480-I595 WeakPolarHBondContact O-CD1 3.48Å; E480-I595 PolarHBondContact OE1-N 3.49Å; E480-I595 VanDerWaalsContact OE1-N 3.14Å |
| 481 | V | 77.8 | Confident | 87.8 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -50.6 | -179.6 | 171.6 | 0 | 0 | 0 | 0 | 116.9 | T483 P559 E597 | V481-T483 PolarHBondContact O-N 3.26Å; V481-P559 PolarHBondContact N-O 2.85Å; V481-E597 WeakPolarHBondContact CG2-OE1 3.34Å |
| 482 | E | 80.6 | Confident | 88 | Confident | 147 Ų | 147 | 64 Ų | 64 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.3 | 170.8 | -68.6 | -164.6 | 157.9 | 0 | 0 | 113.3 | P479 E480 P484 I595 | P479-E482 HydrophobicContact CB-CB 4.16Å; P479-E482 HydrophobicContact CG-CB 4.02Å; E480-E482 PolarHBondContact O-N 3.29Å; E482-P484 WeakPolarHBondContact O-CD 3.39Å; E482-I595 HydrophobicContact CG-CD1 4Å |
| 483 | T | 85.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -80.1 | 104.6 | 173.6 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | P479 V481 A487 T555 P559 | P479-T483 WeakPolarHBondContact CD-OG1 3.27Å; P479-T483 WeakPolarHBondContact O-CB 3.26Å; P479-T483 PolarHBondContact O-OG1 2.89Å; V481-T483 PolarHBondContact O-N 3.26Å; T483-A487 HydrophobicContact CG2-CB 3.56Å; T483-T555 HydrophobicContact CG2-CG2 3.88Å; T483-P559 HydrophobicContact CG2-CG 4.03Å; T483-P559 WeakPolarHBondContact O-CD 3.24Å |
| 484 | P | 89.2 | Confident | 89.3 | Confident | 77 Ų | 77 | 55.4 Ų | 55.4 | 50% | 0.5 | 28% | 0.28 | S | S | . | . | trans | -70 | 163.4 | -177 | 31.3 | -37.6 | 0 | 0 | 0 | 111.9 | E482 R486 A487 T555 | E482-P484 WeakPolarHBondContact O-CD 3.39Å; P484-R486 PolarHBondContact O-N 3.27Å; P484-A487 HydrophobicContact CG-CB 4.09Å; P484-A487 VanDerWaalsContact O-CB 3.24Å; P484-A487 WeakPolarHBondContact O-CB 3.42Å; P484-A487 PolarHBondContact O-N 3.06Å; P484-A487 VanDerWaalsContact O-N 3.12Å; P484-T555 PolarHBondContact O-OG1 2.82Å | ||
| 485 | Q | 86.8 | Confident | 89.5 | Confident | 125 Ų | 125 | 57.3 Ų | 57.3 | 58% | 0.584 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 134.6 | 165.9 | -158.7 | -173.5 | 26.6 | 0 | 0 | 110.2 | A487 R556 | Q485-A487 VanDerWaalsContact C-N 3.3Å; Q485-A487 PolarHBondContact O-N 2.65Å; Q485-R556 VanDerWaalsContact CG-O 3.23Å; Q485-R556 WeakPolarHBondContact CG-O 3.48Å; Q485-R556 PolarHBondContact NE2-O 3.09Å |
| 486 | R | 89.8 | Confident | 89.4 | Confident | 187 Ų | 187 | 50.6 Ų | 50.6 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 17.6 | -174.1 | -57.2 | 175.3 | 169.4 | 160.2 | -4.1 | 115.8 | P484 T555 | P484-R486 PolarHBondContact O-N 3.27Å; R486-T555 WeakPolarHBondContact CA-O 3.39Å; R486-T555 PolarHBondContact N-O 2.89Å; R486-T555 PolarHBondContact N-OG1 2.72Å; R486-T555 VanDerWaalsContact N-OG1 3.08Å |
| 487 | A | 90.7 | Very high | 89.2 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | trans | -55.7 | 142.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T483 P484 Q485 R554 T555 | T483-A487 HydrophobicContact CG2-CB 3.56Å; P484-A487 HydrophobicContact CG-CB 4.09Å; P484-A487 VanDerWaalsContact O-CB 3.24Å; P484-A487 WeakPolarHBondContact O-CB 3.42Å; P484-A487 PolarHBondContact O-N 3.06Å; P484-A487 VanDerWaalsContact O-N 3.12Å; Q485-A487 VanDerWaalsContact C-N 3.3Å; Q485-A487 PolarHBondContact O-N 2.65Å; A487-R554 WeakPolarHBondContact O-CA 3.23Å; A487-T555 HydrophobicContact CB-CG2 4.45Å; A487-T555 PolarHBondContact N-OG1 3.13Å; A487-T555 VanDerWaalsContact N-OG1 3.07Å; A487-T555 PolarHBondContact O-N 2.65Å; A487-T555 VanDerWaalsContact O-N 3.09Å | ||
| 488 | I | 91 | Very high | 89 | Confident | 102 Ų | 102 | 51 Ų | 51 | 52% | 0.523 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 121.1 | 173.8 | -65.4 | 175.1 | 0 | 0 | 0 | 108.5 | V552 R554 | I488-V552 HydrophobicContact CB-CG2 4.34Å; I488-V552 HydrophobicContact CD1-CG2 4.38Å; I488-V552 HydrophobicContact CG1-CG2 4Å; I488-V552 HydrophobicContact CG2-CG2 3.66Å; I488-R554 HydrophobicContact CG1-CG 4.29Å |
| 489 | V | 92.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -53.8 | 177.9 | 180 | 0 | 0 | 0 | 0 | 110.3 | I476 L478 F515 I553 T555 L588 I590 | I476-V489 HydrophobicContact CD1-CG1 4.12Å; I476-V489 WeakPolarHBondContact CD1-O 3.33Å; I476-V489 HydrophobicContact CG2-CG1 4.16Å; L478-V489 HydrophobicContact CD1-CG1 4.07Å; L478-V489 HydrophobicContact CD1-CG2 3.85Å; L478-V489 HydrophobicContact CD2-CG1 4.47Å; V489-F515 HydrophobicContact CG2-CD1 4.11Å; V489-F515 HydrophobicContact CG2-CE1 3.99Å; V489-I553 HydrophobicContact CB-CB 4.4Å; V489-I553 HydrophobicContact CB-CG2 4.02Å; V489-I553 HydrophobicContact CG2-CG2 4.35Å; V489-I553 PolarHBondContact N-O 3.46Å; V489-T555 HydrophobicContact CG2-CG2 3.92Å; V489-L588 HydrophobicContact CG1-CD2 4.2Å; V489-I590 HydrophobicContact CG1-CD1 3.84Å; V489-I590 HydrophobicContact CG1-CG1 4.39Å |
| 490 | A | 92.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 149.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L465 I553 L588 | L465-A490 CarbonylContact O-C 3.55Å; L465-A490 WeakPolarHBondContact O-CA 3.14Å; A490-I553 HydrophobicContact CB-CD1 4.45Å; A490-I553 PolarHBondContact O-N 3.45Å; A490-L588 HydrophobicContact CB-CD2 3.81Å |
| 491 | L | 92.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 149.1 | 159.3 | -62.4 | 175.4 | 0 | 0 | 0 | 108.6 | L465 V552 | L465-L491 HydrophobicContact CB-CB 4.47Å; L465-L491 PolarHBondContact N-O 3.06Å; L465-L491 PolarHBondContact O-N 2.83Å; L491-V552 HydrophobicContact CD2-CB 3.93Å; L491-V552 HydrophobicContact CD2-CG2 3.92Å |
| 492 | V | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.6 | 174.7 | -167.7 | 0 | 0 | 0 | 0 | 107.7 | I462 V463 F464 V494 F517 Q550 Y551 I553 | I462-V492 HydrophobicContact CG2-CG1 3.5Å; V463-V492 WeakPolarHBondContact O-CA 3.37Å; F464-V492 HydrophobicContact CD1-CG1 4.3Å; F464-V492 HydrophobicContact CD1-CG2 3.82Å; F464-V492 HydrophobicContact CE1-CG1 4.26Å; F464-V492 HydrophobicContact CE1-CG2 3.97Å; V492-V494 HydrophobicContact CG1-CG2 4.19Å; V492-F517 HydrophobicContact CB-CE2 4.19Å; V492-F517 HydrophobicContact CG2-CE2 3.93Å; V492-Q550 WeakPolarHBondContact O-CA 3.33Å; V492-Y551 PolarHBondContact N-O 2.88Å; V492-Y551 PolarHBondContact O-N 2.84Å; V492-I553 HydrophobicContact CG2-CD1 3.6Å; V492-I553 HydrophobicContact CG2-CG1 3.88Å |
| 493 | H | 91.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 52 Ų | 52 | 17% | 0.167 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136 | 171.2 | -69.6 | 179.6 | 0 | 0 | 0 | 108.7 | V463 L465 Y548 Q550 | V463-H493 HydrophobicContact CB-CB 4.47Å; V463-H493 PolarHBondContact N-O 2.92Å; V463-H493 PolarHBondContact O-N 2.89Å; L465-H493 HydrophobicContact CD1-CB 3.86Å; L465-H493 VanDerWaalsContact CD1-CG 3.43Å; H493-Y548 HydrophobicContact CB-CD2 4.17Å; H493-Y548 HydrophobicContact CB-CG 4.38Å; H493-Y548 AromaticContact CD2-CD2 3.59Å; H493-Y548 AromaticContact CD2-CE2 3.56Å; H493-Y548 AromaticContact CE1-CD2 3.92Å; H493-Y548 AromaticContact CE1-CE2 3.39Å; H493-Y548 WeakPolarHBondContact CE1-CE2 3.49Å; H493-Y548 AromaticContact CE1-CZ 3.51Å; H493-Y548 AromaticContact CG-CD2 3.65Å; H493-Y548 AromaticContact CG-CE2 3.89Å; H493-Y548 AromaticContact ND1-CD2 3.89Å; H493-Y548 AromaticContact ND1-CE2 3.83Å; H493-Y548 AromaticContact NE2-CD2 3.77Å; H493-Y548 AromaticContact NE2-CE2 3.22Å; H493-Y548 WeakPolarHBondContact NE2-CE2 3.2Å; H493-Y548 AromaticContact NE2-CZ 3.8Å; H493-Q550 PolarHBondContact NE2-OE1 2.84Å |
| 494 | V | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.1 | 178.5 | -168.3 | 0 | 0 | 0 | 0 | 107.7 | P460 K461 V492 I504 Y548 K549 Y551 C573 | P460-V494 HydrophobicContact CB-CG1 4.17Å; K461-V494 WeakPolarHBondContact O-CA 3.49Å; V492-V494 HydrophobicContact CG1-CG2 4.19Å; V494-I504 HydrophobicContact CG1-CD1 4.47Å; V494-I504 HydrophobicContact CG1-CG2 3.85Å; V494-Y548 WeakPolarHBondContact O-CA 3.32Å; V494-K549 PolarHBondContact N-O 2.73Å; V494-K549 PolarHBondContact O-N 3.38Å; V494-Y551 HydrophobicContact CG2-CD2 4.06Å; V494-Y551 HydrophobicContact CG2-CE2 4.14Å; V494-C573 HydrophobicContact CG1-CB 4.11Å |
| 495 | T | 90.2 | Very high | 88.8 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 31% | 0.307 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 153 | 168.4 | 59.2 | 0 | 0 | 0 | 0 | 108.2 | K461 | K461-T495 WeakPolarHBondContact CA-O 3.43Å; K461-T495 WeakPolarHBondContact CB-O 3.14Å; K461-T495 PolarHBondContact N-O 3.48Å; K461-T495 PolarHBondContact O-N 3.35Å |
| 496 | D | 90.4 | Very high | 89.1 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 10% | 0.096 | 24% | 0.241 | C | C | . | . | trans | -119.7 | 157.4 | 159.8 | -154.3 | -78.5 | 0 | 0 | 0 | 106.4 | P460 D498 S499 I504 | P460-D496 VanDerWaalsContact CA-OD2 3.26Å; P460-D496 WeakPolarHBondContact CA-OD2 3.36Å; P460-D496 VanDerWaalsContact CD-OD2 3.24Å; P460-D496 WeakPolarHBondContact CD-OD2 3.39Å; P460-D496 VanDerWaalsContact CG-OD2 3.27Å; P460-D496 WeakPolarHBondContact CG-OD2 3.22Å; D496-D498 PolarHBondContact OD1-N 3.35Å; D496-S499 WeakPolarHBondContact CB-O 3.49Å; D496-S499 PolarHBondContact OD1-N 3.11Å; D496-I504 HydrophobicContact CB-CD1 3.65Å; D496-I504 HydrophobicContact CB-CG1 4.17Å | ||
| 497 | D | 87.4 | Confident | 89.3 | Confident | 77 Ų | 77 | 44.7 Ų | 44.7 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -96.6 | -24.9 | 176.5 | -71 | 35 | 0 | 0 | 0 | 110.4 | E422 N458 K461 | E422-D497 HydrophobicContact CG-CB 3.84Å; N458-D497 HydrophobicContact CB-CB 4.3Å; K461-D497 WeakPolarHBondContact CD-OD1 3.44Å; K461-D497 VanDerWaalsContact CE-OD1 3.28Å; K461-D497 WeakPolarHBondContact CE-OD1 3.25Å; K461-D497 IonicContact NZ-OD1 2.68Å; K461-D497 PolarHBondContact NZ-OD1 2.89Å; K461-D497 IonicContact NZ-OD2 2.93Å; K461-D497 PolarHBondContact NZ-OD2 2.97Å |
| 498 | D | 87.7 | Confident | 89.4 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -103.9 | -51.5 | -173.4 | -45.7 | -12.4 | 0 | 0 | 0 | 109.9 | N454 N456 D457 N458 D496 | N454-D498 WeakPolarHBondContact ND2-CA 3.33Å; N454-D498 WeakPolarHBondContact ND2-CB 3.37Å; N456-D498 WeakPolarHBondContact CA-OD2 3.32Å; D457-D498 PolarHBondContact N-OD2 2.88Å; N458-D498 WeakPolarHBondContact CB-OD1 3.44Å; N458-D498 WeakPolarHBondContact CB-OD2 3.47Å; N458-D498 PolarHBondContact N-OD2 2.94Å; N458-D498 PolarHBondContact ND2-OD1 3.34Å; D496-D498 PolarHBondContact OD1-N 3.35Å |
| 499 | S | 84.6 | Confident | 89.5 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -88 | 128.3 | -171.4 | -72.9 | 0 | 0 | 0 | 0 | 112.9 | N456 D496 D575 | N456-S499 PolarHBondContact OD1-OG 3.37Å; D496-S499 WeakPolarHBondContact CB-O 3.49Å; D496-S499 PolarHBondContact OD1-N 3.11Å; S499-D575 WeakPolarHBondContact OG-CB 3.28Å |
| 500 | P | 83.8 | Confident | 89.4 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 44% | 0.442 | 24% | 0.24 | S | C | . | . | trans | -58.3 | 140.6 | 173.4 | 22.2 | -34.5 | 0 | 0 | 0 | 112.9 | E502 Q503 | P500-E502 PolarHBondContact O-N 2.75Å; P500-Q503 HydrophobicContact CG-CG 4.37Å; P500-Q503 VanDerWaalsContact CG-OE1 3.23Å; P500-Q503 WeakPolarHBondContact O-CB 3.47Å; P500-Q503 PolarHBondContact O-N 2.81Å | ||
| 501 | I | 82.2 | Confident | 89.4 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.1 | -170.6 | 56.9 | 166.2 | 0 | 0 | 0 | 115 | Q503 I504 T547 K549 | I501-Q503 VanDerWaalsContact C-N 3.27Å; I501-Q503 PolarHBondContact O-N 3.14Å; I501-I504 HydrophobicContact CB-CD1 4.32Å; I501-I504 HydrophobicContact CG2-CD1 3.96Å; I501-I504 PolarHBondContact O-N 3.47Å; I501-T547 VanDerWaalsContact CG2-O 3.29Å; I501-T547 WeakPolarHBondContact CG2-O 3.16Å; I501-K549 WeakPolarHBondContact O-CD 3.32Å; I501-K549 PolarHBondContact O-NZ 2.8Å |
| 502 | E | 82.5 | Confident | 89.3 | Confident | 149 Ų | 149 | 52.1 Ų | 52.1 | 70% | 0.696 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.6 | 172.5 | -71.5 | 74.3 | -167.7 | 0 | 0 | 112 | P500 K549 | P500-E502 PolarHBondContact O-N 2.75Å; E502-K549 PolarHBondContact O-NZ 3.09Å |
| 503 | Q | 84.4 | Confident | 89.2 | Confident | 52 Ų | 52 | 56 Ų | 56 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -25.6 | -179.6 | -70.6 | 172.4 | -39.8 | 0 | 0 | 113.5 | P500 I501 R505 D576 E577 | P500-Q503 HydrophobicContact CG-CG 4.37Å; P500-Q503 VanDerWaalsContact CG-OE1 3.23Å; P500-Q503 WeakPolarHBondContact O-CB 3.47Å; P500-Q503 PolarHBondContact O-N 2.81Å; I501-Q503 VanDerWaalsContact C-N 3.27Å; I501-Q503 PolarHBondContact O-N 3.14Å; Q503-R505 PolarHBondContact O-N 3.45Å; Q503-R505 VanDerWaalsContact O-N 3.13Å; Q503-D576 HydrophobicContact CB-CB 3.87Å; Q503-D576 HydrophobicContact CG-CB 4.21Å; Q503-E577 PolarHBondContact NE2-OE1 3.06Å; Q503-E577 PolarHBondContact OE1-OE1 2.99Å |
| 504 | I | 89.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -66.1 | 117.3 | -177 | -50.2 | 170.3 | 0 | 0 | 0 | 110.4 | P460 V494 D496 I501 K549 Y551 C573 I574 | P460-I504 HydrophobicContact CB-CG2 4.37Å; P460-I504 HydrophobicContact CG-CG2 4.37Å; V494-I504 HydrophobicContact CG1-CD1 4.47Å; V494-I504 HydrophobicContact CG1-CG2 3.85Å; D496-I504 HydrophobicContact CB-CD1 3.65Å; D496-I504 HydrophobicContact CB-CG1 4.17Å; I501-I504 HydrophobicContact CB-CD1 4.32Å; I501-I504 HydrophobicContact CG2-CD1 3.96Å; I501-I504 PolarHBondContact O-N 3.47Å; I504-K549 HydrophobicContact CB-CD 4.42Å; I504-K549 WeakPolarHBondContact O-CD 3.25Å; I504-K549 WeakPolarHBondContact O-CE 3.43Å; I504-K549 PolarHBondContact O-NZ 3.22Å; I504-Y551 PolarHBondContact O-OH 3.15Å; I504-C573 HydrophobicContact CG2-CB 4.23Å; I504-I574 CarbonylContact C-O 3.52Å | ||
| 505 | R | 91.1 | Very high | 89.4 | Confident | 142 Ų | 142 | 54.5 Ų | 54.5 | 54% | 0.536 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.7 | 177.6 | -67.5 | -177 | -62.6 | -174.8 | 0.1 | 110.2 | Q503 I574 D576 | Q503-R505 PolarHBondContact O-N 3.45Å; Q503-R505 VanDerWaalsContact O-N 3.13Å; R505-I574 PolarHBondContact N-O 3.49Å; R505-I574 PolarHBondContact O-N 2.74Å; R505-D576 IonicContact CZ-OD1 3.19Å; R505-D576 VanDerWaalsContact CZ-OD1 3.29Å; R505-D576 IonicContact CZ-OD2 2.68Å; R505-D576 IonicContact NE-OD1 3.82Å; R505-D576 IonicContact NE-OD2 3.73Å; R505-D576 PolarHBondContact NE-OD2 2.84Å; R505-D576 IonicContact NH1-OD1 2.66Å; R505-D576 IonicContact NH1-OD2 3.14Å; R505-D576 PolarHBondContact NH1-OD2 2.83Å; R505-D576 IonicContact NH2-OD1 2.83Å; R505-D576 PolarHBondContact NH2-OD1 3.08Å; R505-D576 IonicContact NH2-OD2 3.08Å; R505-D576 PolarHBondContact NH2-OD2 3.42Å |
| 506 | C | 93.9 | Very high | 89.6 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.5 | 178.3 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | F517 Y551 V571 E572 C573 | C506-F517 HydrophobicContact CB-CE1 3.65Å; C506-F517 HydrophobicContact CB-CZ 3.8Å; C506-Y551 HydrophobicContact CB-CD2 4.25Å; C506-Y551 HydrophobicContact CB-CE1 4.18Å; C506-Y551 HydrophobicContact CB-CE2 3.65Å; C506-Y551 PolarHBondContact N-OH 2.86Å; C506-Y551 WeakPolarHBondContact SG-CE2 3.4Å; C506-V571 HydrophobicContact CB-CG1 4.48Å; C506-E572 CarbonylContact C-O 3.52Å; C506-E572 VanDerWaalsContact CA-O 3.22Å; C506-E572 WeakPolarHBondContact CA-O 3.16Å; C506-C573 HydrophobicContact CB-CB 4.1Å; C506-C573 WeakPolarHBondContact CB-SG 3.45Å; C506-C573 WeakPolarHBondContact SG-CB 3.49Å; C506-C573 CovalentContact SG-SG 2.03Å; C506-C573 PolarHBondContact SG-SG 3Å |
| 507 | H | 93.1 | Very high | 89.8 | Confident | 86 Ų | 86 | 53.3 Ų | 53.3 | 40% | 0.398 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 170.6 | 175.3 | 73.6 | -71 | 0 | 0 | 0 | 111.8 | V571 E572 | H507-V571 WeakPolarHBondContact O-CA 3.03Å; H507-E572 IonicContact CE1-OE2 2.64Å; H507-E572 PolarHBondContact CE1-OE2 3.07Å; H507-E572 PolarHBondContact N-O 3.12Å; H507-E572 PolarHBondContact O-N 2.95Å |
| 508 | L | 93.8 | Very high | 89.9 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.6 | 179.7 | -176.9 | 67.5 | 0 | 0 | 0 | 109.7 | K510 D512 F515 F517 V569 T570 V571 | L508-K510 WeakPolarHBondContact CD1-O 3.46Å; L508-K510 WeakPolarHBondContact CG-O 3.45Å; L508-D512 HydrophobicContact CD2-CB 3.96Å; L508-D512 HydrophobicContact CG-CB 4.33Å; L508-F515 HydrophobicContact CD2-CB 4.24Å; L508-F517 HydrophobicContact CB-CB 3.93Å; L508-F517 HydrophobicContact CB-CG 4.44Å; L508-F517 HydrophobicContact CD2-CB 4.44Å; L508-V569 HydrophobicContact CD1-CG1 3.4Å; L508-V569 VanDerWaalsContact CD1-CG1 3.4Å; L508-T570 WeakPolarHBondContact CD1-O 3.5Å; L508-V571 HydrophobicContact CD1-CG2 4.11Å |
| 509 | I | 92.3 | Very high | 89.9 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | trans | -93.7 | -25.1 | -179 | -56.9 | 165.7 | 0 | 0 | 0 | 112 | T570 E572 | I509-T570 PolarHBondContact N-O 2.88Å; I509-E572 HydrophobicContact CD1-CB 3.36Å; I509-E572 HydrophobicContact CD1-CG 4.21Å; I509-E572 HydrophobicContact CG1-CB 4.05Å | ||
| 510 | K | 91.2 | Very high | 89.6 | Confident | 111 Ų | 111 | 59.3 Ų | 59.3 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -135.5 | 146.8 | -173.2 | -64.8 | -172.4 | -174.6 | 170.2 | 0 | 112.8 | L508 D512 | L508-K510 WeakPolarHBondContact CD1-O 3.46Å; L508-K510 WeakPolarHBondContact CG-O 3.45Å; K510-D512 PolarHBondContact O-N 3.1Å |
| 511 | E | 91.8 | Very high | 88.3 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 62.6 | 29.8 | 179.7 | -41.7 | -75.2 | -160.2 | 0 | 0 | 112.3 | D513 M514 F515 K564 Y567 T568 V569 | E511-D513 VanDerWaalsContact C-N 3.27Å; E511-D513 PolarHBondContact O-N 2.73Å; E511-M514 PolarHBondContact O-N 3.26Å; E511-M514 VanDerWaalsContact O-N 3.17Å; E511-F515 HydrophobicContact CB-CD2 3.75Å; E511-F515 HydrophobicContact CB-CE2 4.13Å; E511-F515 WeakPolarHBondContact O-CD2 3.28Å; E511-F515 PolarHBondContact O-N 3.03Å; E511-K564 IonicContact OE1-NZ 3.2Å; E511-K564 PolarHBondContact OE1-NZ 3.14Å; E511-K564 IonicContact OE2-NZ 2.9Å; E511-K564 PolarHBondContact OE2-NZ 3.01Å; E511-Y567 HydrophobicContact CB-CD1 4.43Å; E511-Y567 HydrophobicContact CG-CD1 4.28Å; E511-Y567 WeakPolarHBondContact OE1-CA 3.19Å; E511-T568 PolarHBondContact OE1-N 2.78Å; E511-T568 VanDerWaalsContact OE1-N 3.16Å; E511-V569 HydrophobicContact CB-CG2 4.14Å; E511-V569 HydrophobicContact CG-CG2 4.26Å |
| 512 | D | 89.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 47% | 0.471 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.5 | -175.7 | 75.1 | -57 | 0 | 0 | 0 | 114 | L508 K510 F515 R556 | L508-D512 HydrophobicContact CD2-CB 3.96Å; L508-D512 HydrophobicContact CG-CB 4.33Å; K510-D512 PolarHBondContact O-N 3.1Å; D512-F515 CarbonylContact C-O 3.47Å; D512-F515 VanDerWaalsContact O-O 3.1Å; D512-R556 WeakPolarHBondContact O-CD 3.35Å; D512-R556 VanDerWaalsContact O-CZ 3.22Å; D512-R556 PolarHBondContact O-NE 2.87Å; D512-R556 PolarHBondContact O-NH2 3.4Å; D512-R556 VanDerWaalsContact O-NH2 3.09Å |
| 513 | D | 91.2 | Very high | 84 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -29.8 | 168.2 | 79.6 | -61.4 | 0 | 0 | 0 | 112.1 | E511 K557 | E511-D513 VanDerWaalsContact C-N 3.27Å; E511-D513 PolarHBondContact O-N 2.73Å; D513-K557 WeakPolarHBondContact O-CE 3.2Å; D513-K557 IonicContact OD2-NZ 3.17Å; D513-K557 PolarHBondContact OD2-NZ 3.46Å |
| 514 | M | 92.7 | Very high | 81.3 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -31.8 | -179 | -177.9 | 56.9 | -179.4 | 0 | 0 | 112.6 | E511 R556 K557 P559 Y567 | E511-M514 PolarHBondContact O-N 3.26Å; E511-M514 VanDerWaalsContact O-N 3.17Å; M514-R556 WeakPolarHBondContact O-CB 3.35Å; M514-R556 PolarHBondContact O-N 2.87Å; M514-K557 HydrophobicContact CE-CB 4.49Å; M514-K557 HydrophobicContact SD-CB 3.74Å; M514-K557 HydrophobicContact SD-CD 3.99Å; M514-K557 HydrophobicContact SD-CG 4.17Å; M514-P559 HydrophobicContact CE-CB 3.67Å; M514-P559 HydrophobicContact CE-CG 4.46Å; M514-Y567 HydrophobicContact CB-CD1 4.25Å; M514-Y567 HydrophobicContact CB-CE1 3.89Å; M514-Y567 HydrophobicContact CG-CD1 3.99Å; M514-Y567 HydrophobicContact CG-CE1 3.51Å; M514-Y567 HydrophobicContact SD-CE1 4.47Å |
| 515 | F | 94.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.9 | -178 | -57.1 | -83.6 | 0 | 0 | 0 | 112.4 | V489 L508 E511 D512 I553 R554 T555 R556 Y567 V569 I590 | V489-F515 HydrophobicContact CG2-CD1 4.11Å; V489-F515 HydrophobicContact CG2-CE1 3.99Å; L508-F515 HydrophobicContact CD2-CB 4.24Å; E511-F515 HydrophobicContact CB-CD2 3.75Å; E511-F515 HydrophobicContact CB-CE2 4.13Å; E511-F515 WeakPolarHBondContact O-CD2 3.28Å; E511-F515 PolarHBondContact O-N 3.03Å; D512-F515 CarbonylContact C-O 3.47Å; D512-F515 VanDerWaalsContact O-O 3.1Å; F515-I553 HydrophobicContact CB-CG2 4.14Å; F515-I553 HydrophobicContact CD1-CG2 4.07Å; F515-I553 HydrophobicContact CG-CG2 4.32Å; F515-R554 CarbonylContact C-O 3.58Å; F515-R554 WeakPolarHBondContact CA-O 3.4Å; F515-R554 WeakPolarHBondContact CB-O 3.31Å; F515-T555 HydrophobicContact CD1-CG2 4.38Å; F515-T555 HydrophobicContact CE1-CG2 4.1Å; F515-R556 PolarHBondContact O-NE 2.92Å; F515-Y567 AromaticContact CE2-CD1 3.76Å; F515-Y567 HydrophobicContact CE2-CD1 3.76Å; F515-Y567 HydrophobicContact CE2-CD2 4.39Å; F515-Y567 HydrophobicContact CE2-CE1 4.46Å; F515-Y567 AromaticContact CE2-CG 3.73Å; F515-Y567 HydrophobicContact CE2-CG 3.73Å; F515-Y567 HydrophobicContact CZ-CD1 4.44Å; F515-Y567 HydrophobicContact CZ-CD2 4.33Å; F515-Y567 HydrophobicContact CZ-CG 4.1Å; F515-V569 HydrophobicContact CD2-CG2 3.42Å; F515-V569 VanDerWaalsContact CD2-CG2 3.42Å; F515-V569 HydrophobicContact CE2-CG2 3.6Å; F515-V569 HydrophobicContact CG-CG2 3.99Å; F515-V569 HydrophobicContact CZ-CG2 4.31Å; F515-I590 HydrophobicContact CD1-CD1 4.28Å; F515-I590 HydrophobicContact CE1-CD1 3.59Å; F515-I590 HydrophobicContact CE2-CD1 3.95Å; F515-I590 HydrophobicContact CZ-CD1 3.41Å; F515-I590 VanDerWaalsContact CZ-CD1 3.41Å |
| 516 | S | 93.3 | Very high | 75.3 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 5% | 0.049 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 146.7 | 167.2 | 65.7 | 0 | 0 | 0 | 0 | 110 | E518 I553 R554 | S516-E518 WeakPolarHBondContact CB-OE1 3.03Å; S516-E518 PolarHBondContact OG-OE1 2.77Å; S516-I553 WeakPolarHBondContact O-CA 3.48Å; S516-R554 PolarHBondContact N-O 3.38Å; S516-R554 PolarHBondContact O-N 3.17Å |
| 517 | F | 94 | Very high | 72.1 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 114 | 179 | -178.7 | -101 | 0 | 0 | 0 | 107.4 | V492 C506 L508 Y551 I553 V571 | V492-F517 HydrophobicContact CB-CE2 4.19Å; V492-F517 HydrophobicContact CG2-CE2 3.93Å; C506-F517 HydrophobicContact CB-CE1 3.65Å; C506-F517 HydrophobicContact CB-CZ 3.8Å; L508-F517 HydrophobicContact CB-CB 3.93Å; L508-F517 HydrophobicContact CB-CG 4.44Å; L508-F517 HydrophobicContact CD2-CB 4.44Å; F517-Y551 HydrophobicContact CD1-CD1 4.11Å; F517-Y551 AromaticContact CE1-CD1 3.36Å; F517-Y551 HydrophobicContact CE1-CD1 3.36Å; F517-Y551 HydrophobicContact CE1-CD2 4.27Å; F517-Y551 AromaticContact CE1-CE1 3.85Å; F517-Y551 HydrophobicContact CE1-CE1 3.85Å; F517-Y551 AromaticContact CE1-CG 3.61Å; F517-Y551 HydrophobicContact CE1-CG 3.61Å; F517-Y551 VanDerWaalsContact CE2-CB 3.46Å; F517-Y551 HydrophobicContact CE2-CD1 4.46Å; F517-Y551 AromaticContact CE2-CG 3.98Å; F517-Y551 HydrophobicContact CE2-CG 3.98Å; F517-Y551 AromaticContact CZ-CD1 3.6Å; F517-Y551 HydrophobicContact CZ-CD1 3.6Å; F517-Y551 AromaticContact CZ-CD2 3.75Å; F517-Y551 HydrophobicContact CZ-CD2 3.75Å; F517-Y551 HydrophobicContact CZ-CE1 4.31Å; F517-Y551 HydrophobicContact CZ-CE2 4.42Å; F517-Y551 AromaticContact CZ-CG 3.27Å; F517-Y551 HydrophobicContact CZ-CG 3.27Å; F517-I553 HydrophobicContact CD2-CG1 3.94Å; F517-V571 HydrophobicContact CD2-CG2 4Å; F517-V571 HydrophobicContact CE1-CG1 4.32Å; F517-V571 HydrophobicContact CE2-CB 4.46Å; F517-V571 HydrophobicContact CE2-CG1 3.77Å; F517-V571 HydrophobicContact CE2-CG2 3.75Å; F517-V571 HydrophobicContact CZ-CG1 3.61Å; F517-V571 HydrophobicContact CZ-CG2 4.43Å |
| 518 | E | 90.6 | Very high | 69.2 | Low | 76 Ų | 76 | 81.6 Ų | 81.6 | 36% | 0.355 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.8 | -167.2 | -70.2 | 161.1 | -156 | 0 | 0 | 109.8 | S516 Y551 V552 R554 | S516-E518 WeakPolarHBondContact CB-OE1 3.03Å; S516-E518 PolarHBondContact OG-OE1 2.77Å; E518-Y551 CarbonylContact O-C 3.57Å; E518-Y551 VanDerWaalsContact O-CA 3.25Å; E518-Y551 WeakPolarHBondContact O-CA 3.38Å; E518-V552 HydrophobicContact CB-CG1 4.16Å; E518-V552 PolarHBondContact N-O 2.97Å; E518-V552 WeakPolarHBondContact O-CG1 3.43Å; E518-V552 PolarHBondContact O-N 3.4Å; E518-R554 IonicContact OE2-CZ 3.41Å; E518-R554 IonicContact OE2-NH1 3.75Å; E518-R554 PolarHBondContact OE2-NH1 2.81Å |
| 519 | E | 87.4 | Confident | 66.2 | Low | 107 Ų | 107 | 87.9 Ų | 87.9 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.8 | 174.2 | -165.5 | 173 | 141.9 | 0 | 0 | 110.2 | G521 K549 Y551 | E519-G521 PolarHBondContact O-N 3.28Å; E519-K549 VanDerWaalsContact CD-CE 3.4Å; E519-K549 VanDerWaalsContact OE1-CE 3.22Å; E519-K549 WeakPolarHBondContact OE1-CE 3.22Å; E519-K549 WeakPolarHBondContact OE2-CE 3.42Å; E519-Y551 HydrophobicContact CB-CD1 3.69Å; E519-Y551 HydrophobicContact CB-CE1 3.65Å; E519-Y551 HydrophobicContact CG-CD1 4.02Å; E519-Y551 HydrophobicContact CG-CE1 3.78Å |
| 520 | T | 78.6 | Confident | 63.4 | Low | 48 Ų | 48 | 93.4 Ų | 93.4 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | trans | -85 | 83 | 178.2 | 66 | 0 | 0 | 0 | 0 | 109.8 | Q550 V552 | T520-Q550 HydrophobicContact CG2-CG 4.23Å; T520-Q550 PolarHBondContact N-O 2.81Å; T520-Q550 WeakPolarHBondContact OG1-CB 3.28Å; T520-Q550 WeakPolarHBondContact OG1-CG 3.42Å; T520-Q550 PolarHBondContact OG1-NE2 2.67Å; T520-Q550 PolarHBondContact OG1-O 3.39Å; T520-V552 HydrophobicContact CG2-CB 4.06Å; T520-V552 HydrophobicContact CG2-CG1 3.78Å | ||
| 521 | G | 57.1 | Low | 61 | Low | 45 Ų | 45 | 92 Ų | 92 | 46% | 0.464 | 49% | 0.491 | S | S | . | . | trans | -53.9 | 151.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | E519 T523 | E519-G521 PolarHBondContact O-N 3.28Å; G521-T523 VanDerWaalsContact C-N 3.25Å; G521-T523 PolarHBondContact O-N 2.8Å; G521-T523 PolarHBondContact O-OG1 2.79Å | ||
| 522 | S | 40.2 | Very low | 58.6 | Low | 130 Ų | 130 | 96.2 Ų | 96.2 | 91% | 0.909 | 51% | 0.511 | S | S | * | . | trans | -68.3 | 55 | -163.2 | -46.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 523 | T | 33.8 | Very low | 56.1 | Low | 121 Ų | 121 | 100.2 Ų | 100.2 | 74% | 0.742 | 53% | 0.527 | S | S | * | . | trans | -107.6 | 95.3 | -174.6 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | G521 | G521-T523 VanDerWaalsContact C-N 3.25Å; G521-T523 PolarHBondContact O-N 2.8Å; G521-T523 PolarHBondContact O-OG1 2.79Å | ||
| 524 | N | 27 | Very low | 53.8 | Low | 130 Ų | 130 | 100 Ų | 100 | 70% | 0.695 | 53% | 0.532 | S | S | * | . | trans | 52.7 | 76.6 | 151.9 | -63.7 | -21 | 0 | 0 | 0 | 119.2 | L526 | N524-L526 HydrophobicContact CB-CD1 4.38Š| ||
| 525 | F | 27.4 | Very low | 51.1 | Low | 213 Ų | 213 | 107.2 Ų | 107.2 | 93% | 0.934 | 56% | 0.56 | S | S | * | * | trans | -97.4 | 79.9 | 144 | -104.6 | -85.2 | 0 | 0 | 0 | 110.3 | T527 | F525-T527 PolarHBondContact O-N 2.74Š| ||
| 526 | L | 27.1 | Very low | 48.6 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 56% | 0.555 | 58% | 0.583 | S | S | * | * | trans | -84.2 | 76.1 | -175.2 | -87.5 | 166.1 | 0 | 0 | 0 | 113.3 | N524 Q529 | N524-L526 HydrophobicContact CB-CD1 4.38Å; L526-Q529 HydrophobicContact CD2-CG 4.22Å | ||
| 527 | T | 27.7 | Very low | 46.3 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 72% | 0.718 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -148.8 | 65.6 | 164.1 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | F525 | F525-T527 PolarHBondContact O-N 2.74Š|
| 528 | H | 30.9 | Very low | 43.7 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | trans | 172.1 | 60.9 | 138.5 | -97.7 | -69.7 | 0 | 0 | 0 | 112.7 | Q530 | H528-Q530 VanDerWaalsContact C-N 3.28Å; H528-Q530 PolarHBondContact O-N 2.77Å | ||
| 529 | Q | 31.5 | Very low | 41.2 | Very low | 155 Ų | 155 | 119.3 Ų | 119.3 | 72% | 0.724 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 78.8 | 169.9 | -73.9 | -176.3 | -36.3 | 0 | 0 | 111.4 | L526 | L526-Q529 HydrophobicContact CD2-CG 4.22Š|
| 530 | Q | 34.3 | Very low | 38.9 | Very low | 190 Ų | 190 | 120.5 Ų | 120.5 | 89% | 0.888 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.5 | -7 | 161.3 | -115.8 | 160.7 | 29.6 | 0 | 0 | 116.1 | H528 | H528-Q530 VanDerWaalsContact C-N 3.28Å; H528-Q530 PolarHBondContact O-N 2.77Å |
| 531 | T | 40.5 | Very low | 37.1 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -115.1 | -10.8 | -178.1 | 44.5 | 0 | 0 | 0 | 0 | 115.4 | S534 Y535 | T531-S534 PolarHBondContact O-OG 2.88Å; T531-Y535 PolarHBondContact O-N 3.18Å |
| 532 | Q | 40.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.4 | -40.5 | -174.3 | -75.8 | 179.7 | -65.1 | 0 | 0 | 113.9 | S534 Y535 N536 | Q532-S534 VanDerWaalsContact C-N 3.35Å; Q532-S534 PolarHBondContact O-N 2.89Å; Q532-Y535 PolarHBondContact O-N 2.85Å; Q532-N536 PolarHBondContact O-N 2.85Å; Q532-N536 PolarHBondContact O-OD1 3.15Å; Q532-N536 VanDerWaalsContact O-OD1 3.13Å |
| 533 | Q | 38.9 | Very low | 35.9 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 80% | 0.799 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.7 | -38.9 | -177.5 | -77.7 | -178.5 | -37.6 | 0 | 0 | 113.1 | Y535 L537 | Q533-Y535 VanDerWaalsContact C-N 3.34Å; Q533-L537 PolarHBondContact O-N 2.81Å |
| 534 | S | 41 | Very low | 35.8 | Very low | 80 Ų | 80 | 119 Ų | 119 | 56% | 0.559 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.9 | -25.4 | 174.2 | 45.3 | 0 | 0 | 0 | 0 | 113.7 | T531 Q532 | T531-S534 PolarHBondContact O-OG 2.88Å; Q532-S534 VanDerWaalsContact C-N 3.35Å; Q532-S534 PolarHBondContact O-N 2.89Å |
| 535 | Y | 38 | Very low | 36.6 | Very low | 154 Ų | 154 | 120 Ų | 120 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -78.7 | -44 | 175.8 | -117.1 | -79.5 | 0 | 0 | 0 | 111.4 | T531 Q532 Q533 F538 N539 | T531-Y535 PolarHBondContact O-N 3.18Å; Q532-Y535 PolarHBondContact O-N 2.85Å; Q533-Y535 VanDerWaalsContact C-N 3.34Å; Y535-F538 PolarHBondContact O-N 3.41Å; Y535-F538 VanDerWaalsContact O-N 3.17Å; Y535-N539 WeakPolarHBondContact O-CB 3.32Å; Y535-N539 PolarHBondContact O-N 2.89Å |
| 536 | N | 41.5 | Very low | 37.5 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 48% | 0.481 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.4 | -48.1 | 179.3 | -69.9 | 23.1 | 0 | 0 | 0 | 111.3 | Q532 F538 N539 E540 | Q532-N536 PolarHBondContact O-N 2.85Å; Q532-N536 PolarHBondContact O-OD1 3.15Å; Q532-N536 VanDerWaalsContact O-OD1 3.13Å; N536-F538 PolarHBondContact O-N 2.93Å; N536-N539 PolarHBondContact O-N 3.23Å; N536-N539 VanDerWaalsContact O-N 3.09Å; N536-E540 WeakPolarHBondContact O-CG 3.27Å; N536-E540 PolarHBondContact O-N 2.62Å |
| 537 | L | 44.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 112.1 Ų | 112.1 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.3 | -22.4 | 176.6 | -88.6 | 158.8 | 0 | 0 | 0 | 114.3 | Q533 | Q533-L537 PolarHBondContact O-N 2.81Å |
| 538 | F | 40.8 | Very low | 42 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -88.6 | -31.7 | 174.4 | -161.2 | -105.1 | 0 | 0 | 0 | 111.8 | Y535 N536 A541 I542 | Y535-F538 PolarHBondContact O-N 3.41Å; Y535-F538 VanDerWaalsContact O-N 3.17Å; N536-F538 PolarHBondContact O-N 2.93Å; F538-A541 PolarHBondContact O-N 3.5Å; F538-I542 HydrophobicContact CD1-CD1 3.69Å; F538-I542 HydrophobicContact CE1-CD1 3.37Å; F538-I542 HydrophobicContact CG-CD1 4.39Å; F538-I542 HydrophobicContact CZ-CD1 3.83Å; F538-I542 WeakPolarHBondContact O-CD1 3.32Å; F538-I542 WeakPolarHBondContact O-CG1 3.38Å |
| 539 | N | 37.3 | Very low | 44.7 | Very low | 26 Ų | 26 | 105.7 Ų | 105.7 | 14% | 0.139 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -72.7 | -40.2 | 175.3 | -71.8 | -8.9 | 0 | 0 | 0 | 112.2 | Y535 N536 A541 I542 G543 I544 S546 | Y535-N539 WeakPolarHBondContact O-CB 3.32Å; Y535-N539 PolarHBondContact O-N 2.89Å; N536-N539 PolarHBondContact O-N 3.23Å; N536-N539 VanDerWaalsContact O-N 3.09Å; N539-A541 PolarHBondContact O-N 2.72Å; N539-I542 CarbonylContact O-C 3.5Å; N539-I542 PolarHBondContact O-N 3.25Å; N539-G543 PolarHBondContact O-N 3.07Å; N539-I544 PolarHBondContact O-N 2.03Å; N539-I544 VanDerWaalsContact O-N 3.17Å; N539-S546 PolarHBondContact ND2-OG 2.95Å |
| 540 | E | 39.6 | Very low | 47.5 | Very low | 133 Ų | 133 | 100.7 Ų | 100.7 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.4 | 172 | -74.7 | 174.2 | 148.3 | 0 | 0 | 111.8 | N536 I542 | N536-E540 WeakPolarHBondContact O-CG 3.27Å; N536-E540 PolarHBondContact O-N 2.62Å; E540-I542 VanDerWaalsContact C-N 3.29Å; E540-I542 PolarHBondContact O-N 2.75Å |
| 541 | A | 41.1 | Very low | 50.3 | Low | 66 Ų | 66 | 92.1 Ų | 92.1 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -5.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | F538 N539 | F538-A541 PolarHBondContact O-N 3.5Å; N539-A541 PolarHBondContact O-N 2.72Å |
| 542 | I | 37.7 | Very low | 52.8 | Low | 90 Ų | 90 | 88.3 Ų | 88.3 | 46% | 0.462 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -0.4 | -175.1 | -54.9 | 174 | 0 | 0 | 0 | 111.4 | F538 N539 E540 I544 | F538-I542 HydrophobicContact CD1-CD1 3.69Å; F538-I542 HydrophobicContact CE1-CD1 3.37Å; F538-I542 HydrophobicContact CG-CD1 4.39Å; F538-I542 HydrophobicContact CZ-CD1 3.83Å; F538-I542 WeakPolarHBondContact O-CD1 3.32Å; F538-I542 WeakPolarHBondContact O-CG1 3.38Å; N539-I542 CarbonylContact O-C 3.5Å; N539-I542 PolarHBondContact O-N 3.25Å; E540-I542 VanDerWaalsContact C-N 3.29Å; E540-I542 PolarHBondContact O-N 2.75Å; I542-I544 VanDerWaalsContact C-N 3.32Å; I542-I544 HydrophobicContact CB-CD1 4.47Å; I542-I544 HydrophobicContact CB-CG1 4.36Å; I542-I544 HydrophobicContact CG2-CD1 3.77Å; I542-I544 HydrophobicContact CG2-CG1 3.96Å; I542-I544 PolarHBondContact O-N 2.85Å |
| 543 | G | 32.8 | Very low | 55.4 | Low | 61 Ų | 61 | 82.3 Ų | 82.3 | 63% | 0.629 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N539 H545 | N539-G543 PolarHBondContact O-N 3.07Å; G543-H545 PolarHBondContact O-N 2.92Å; G543-H545 VanDerWaalsContact O-N 3.14Å |
| 544 | I | 33.2 | Very low | 58 | Low | 95 Ų | 95 | 77.1 Ų | 77.1 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | trans | -91.9 | 78.6 | -172.1 | -50.6 | -179.5 | 0 | 0 | 0 | 111 | N539 I542 S546 | N539-I544 PolarHBondContact O-N 2.03Å; N539-I544 VanDerWaalsContact O-N 3.17Å; I542-I544 VanDerWaalsContact C-N 3.32Å; I542-I544 HydrophobicContact CB-CD1 4.47Å; I542-I544 HydrophobicContact CB-CG1 4.36Å; I542-I544 HydrophobicContact CG2-CD1 3.77Å; I542-I544 HydrophobicContact CG2-CG1 3.96Å; I542-I544 PolarHBondContact O-N 2.85Å; I544-S546 VanDerWaalsContact C-N 3.28Å; I544-S546 PolarHBondContact O-N 2.96Å; I544-S546 PolarHBondContact O-OG 2.78Å; I544-S546 VanDerWaalsContact O-OG 3.11Å | ||
| 545 | H | 42.2 | Very low | 60.5 | Low | 151 Ų | 151 | 73.3 Ų | 73.3 | 70% | 0.699 | 38% | 0.38 | S | S | * | . | trans | -66.2 | 83.4 | 172.6 | -95.9 | -111.5 | 0 | 0 | 0 | 111.7 | G543 T547 | G543-H545 PolarHBondContact O-N 2.92Å; G543-H545 VanDerWaalsContact O-N 3.14Å; H545-T547 PolarHBondContact O-N 2.63Å; H545-T547 VanDerWaalsContact O-N 3.09Å | ||
| 546 | S | 46 | Very low | 63.1 | Low | 76 Ų | 76 | 71.5 Ų | 71.5 | 53% | 0.531 | 37% | 0.372 | S | S | . | . | trans | -88.9 | 48.7 | -174.4 | 33.9 | 0 | 0 | 0 | 0 | 112.6 | N539 I544 | N539-S546 PolarHBondContact ND2-OG 2.95Å; I544-S546 VanDerWaalsContact C-N 3.28Å; I544-S546 PolarHBondContact O-N 2.96Å; I544-S546 PolarHBondContact O-OG 2.78Å; I544-S546 VanDerWaalsContact O-OG 3.11Å | ||
| 547 | T | 68.2 | Low | 65.4 | Low | 77 Ų | 77 | 71.5 Ų | 71.5 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | trans | -128.5 | 116.5 | 173.2 | 50.3 | 0 | 0 | 0 | 0 | 109.2 | I501 H545 | I501-T547 VanDerWaalsContact CG2-O 3.29Å; I501-T547 WeakPolarHBondContact CG2-O 3.16Å; H545-T547 PolarHBondContact O-N 2.63Å; H545-T547 VanDerWaalsContact O-N 3.09Å | ||
| 548 | Y | 82 | Confident | 67.6 | Low | 117 Ų | 117 | 70.1 Ų | 70.1 | 46% | 0.459 | 36% | 0.36 | S | S | . | . | trans | -101.9 | 149.7 | 174.9 | 53.7 | -93.2 | 0 | 0 | 0 | 110.3 | H493 V494 Q550 | H493-Y548 HydrophobicContact CB-CD2 4.17Å; H493-Y548 HydrophobicContact CB-CG 4.38Å; H493-Y548 AromaticContact CD2-CD2 3.59Å; H493-Y548 AromaticContact CD2-CE2 3.56Å; H493-Y548 AromaticContact CE1-CD2 3.92Å; H493-Y548 AromaticContact CE1-CE2 3.39Å; H493-Y548 WeakPolarHBondContact CE1-CE2 3.49Å; H493-Y548 AromaticContact CE1-CZ 3.51Å; H493-Y548 AromaticContact CG-CD2 3.65Å; H493-Y548 AromaticContact CG-CE2 3.89Å; H493-Y548 AromaticContact ND1-CD2 3.89Å; H493-Y548 AromaticContact ND1-CE2 3.83Å; H493-Y548 AromaticContact NE2-CD2 3.77Å; H493-Y548 AromaticContact NE2-CE2 3.22Å; H493-Y548 WeakPolarHBondContact NE2-CE2 3.2Å; H493-Y548 AromaticContact NE2-CZ 3.8Å; V494-Y548 WeakPolarHBondContact O-CA 3.32Å; Y548-Q550 HydrophobicContact CD2-CB 4.09Å; Y548-Q550 HydrophobicContact CE2-CB 4Å | ||
| 549 | K | 87.6 | Confident | 70 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 11% | 0.109 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 133.5 | 166.2 | -155.5 | 164.9 | -165.2 | 160.5 | 0 | 108.9 | V494 I501 E502 I504 E519 Y551 | V494-K549 PolarHBondContact N-O 2.73Å; V494-K549 PolarHBondContact O-N 3.38Å; I501-K549 WeakPolarHBondContact O-CD 3.32Å; I501-K549 PolarHBondContact O-NZ 2.8Å; E502-K549 PolarHBondContact O-NZ 3.09Å; I504-K549 HydrophobicContact CB-CD 4.42Å; I504-K549 WeakPolarHBondContact O-CD 3.25Å; I504-K549 WeakPolarHBondContact O-CE 3.43Å; I504-K549 PolarHBondContact O-NZ 3.22Å; E519-K549 VanDerWaalsContact CD-CE 3.4Å; E519-K549 VanDerWaalsContact OE1-CE 3.22Å; E519-K549 WeakPolarHBondContact OE1-CE 3.22Å; E519-K549 WeakPolarHBondContact OE2-CE 3.42Å; K549-Y551 HydrophobicContact CB-CE2 4.2Å; K549-Y551 HydrophobicContact CD-CE2 4.01Å; K549-Y551 VanDerWaalsContact CD-OH 3.3Å; K549-Y551 WeakPolarHBondContact CD-OH 3.37Å; K549-Y551 WeakPolarHBondContact CE-OH 3.38Å; K549-Y551 HydrophobicContact CG-CE2 3.8Å |
| 550 | Q | 90.1 | Very high | 72.6 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.6 | -177.1 | -177.8 | 177 | -99.4 | 0 | 0 | 111.4 | V492 H493 T520 Y548 | V492-Q550 WeakPolarHBondContact O-CA 3.33Å; H493-Q550 PolarHBondContact NE2-OE1 2.84Å; T520-Q550 HydrophobicContact CG2-CG 4.23Å; T520-Q550 PolarHBondContact N-O 2.81Å; T520-Q550 WeakPolarHBondContact OG1-CB 3.28Å; T520-Q550 WeakPolarHBondContact OG1-CG 3.42Å; T520-Q550 PolarHBondContact OG1-NE2 2.67Å; T520-Q550 PolarHBondContact OG1-O 3.39Å; Y548-Q550 HydrophobicContact CD2-CB 4.09Å; Y548-Q550 HydrophobicContact CE2-CB 4Å |
| 551 | Y | 92.9 | Very high | 75.2 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 167.7 | 170.4 | -57 | -95.1 | 0 | 0 | 0 | 110.1 | V492 V494 I504 C506 F517 E518 E519 K549 | V492-Y551 PolarHBondContact N-O 2.88Å; V492-Y551 PolarHBondContact O-N 2.84Å; V494-Y551 HydrophobicContact CG2-CD2 4.06Å; V494-Y551 HydrophobicContact CG2-CE2 4.14Å; I504-Y551 PolarHBondContact O-OH 3.15Å; C506-Y551 HydrophobicContact CB-CD2 4.25Å; C506-Y551 HydrophobicContact CB-CE1 4.18Å; C506-Y551 HydrophobicContact CB-CE2 3.65Å; C506-Y551 PolarHBondContact N-OH 2.86Å; C506-Y551 WeakPolarHBondContact SG-CE2 3.4Å; F517-Y551 HydrophobicContact CD1-CD1 4.11Å; F517-Y551 AromaticContact CE1-CD1 3.36Å; F517-Y551 HydrophobicContact CE1-CD1 3.36Å; F517-Y551 HydrophobicContact CE1-CD2 4.27Å; F517-Y551 AromaticContact CE1-CE1 3.85Å; F517-Y551 HydrophobicContact CE1-CE1 3.85Å; F517-Y551 AromaticContact CE1-CG 3.61Å; F517-Y551 HydrophobicContact CE1-CG 3.61Å; F517-Y551 VanDerWaalsContact CE2-CB 3.46Å; F517-Y551 HydrophobicContact CE2-CD1 4.46Å; F517-Y551 AromaticContact CE2-CG 3.98Å; F517-Y551 HydrophobicContact CE2-CG 3.98Å; F517-Y551 AromaticContact CZ-CD1 3.6Å; F517-Y551 HydrophobicContact CZ-CD1 3.6Å; F517-Y551 AromaticContact CZ-CD2 3.75Å; F517-Y551 HydrophobicContact CZ-CD2 3.75Å; F517-Y551 HydrophobicContact CZ-CE1 4.31Å; F517-Y551 HydrophobicContact CZ-CE2 4.42Å; F517-Y551 AromaticContact CZ-CG 3.27Å; F517-Y551 HydrophobicContact CZ-CG 3.27Å; E518-Y551 CarbonylContact O-C 3.57Å; E518-Y551 VanDerWaalsContact O-CA 3.25Å; E518-Y551 WeakPolarHBondContact O-CA 3.38Å; E519-Y551 HydrophobicContact CB-CD1 3.69Å; E519-Y551 HydrophobicContact CB-CE1 3.65Å; E519-Y551 HydrophobicContact CG-CD1 4.02Å; E519-Y551 HydrophobicContact CG-CE1 3.78Å; K549-Y551 HydrophobicContact CB-CE2 4.2Å; K549-Y551 HydrophobicContact CD-CE2 4.01Å; K549-Y551 VanDerWaalsContact CD-OH 3.3Å; K549-Y551 WeakPolarHBondContact CD-OH 3.37Å; K549-Y551 WeakPolarHBondContact CE-OH 3.38Å; K549-Y551 HydrophobicContact CG-CE2 3.8Å |
| 552 | V | 93.5 | Very high | 77.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132 | 176.3 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | I488 L491 E518 T520 R554 | I488-V552 HydrophobicContact CB-CG2 4.34Å; I488-V552 HydrophobicContact CD1-CG2 4.38Å; I488-V552 HydrophobicContact CG1-CG2 4Å; I488-V552 HydrophobicContact CG2-CG2 3.66Å; L491-V552 HydrophobicContact CD2-CB 3.93Å; L491-V552 HydrophobicContact CD2-CG2 3.92Å; E518-V552 HydrophobicContact CB-CG1 4.16Å; E518-V552 PolarHBondContact N-O 2.97Å; E518-V552 WeakPolarHBondContact O-CG1 3.43Å; E518-V552 PolarHBondContact O-N 3.4Å; T520-V552 HydrophobicContact CG2-CB 4.06Å; T520-V552 HydrophobicContact CG2-CG1 3.78Å; V552-R554 VanDerWaalsContact CG1-NH1 3.3Å; V552-R554 HydrophobicContact CG2-CG 4.14Å |
| 553 | I | 94.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.8 | 171.9 | -63.3 | 162.4 | 0 | 0 | 0 | 107.7 | F464 V489 A490 V492 F515 S516 F517 V569 V571 L588 | F464-I553 HydrophobicContact CD1-CD1 4.09Å; F464-I553 HydrophobicContact CE1-CD1 3.88Å; V489-I553 HydrophobicContact CB-CB 4.4Å; V489-I553 HydrophobicContact CB-CG2 4.02Å; V489-I553 HydrophobicContact CG2-CG2 4.35Å; V489-I553 PolarHBondContact N-O 3.46Å; A490-I553 HydrophobicContact CB-CD1 4.45Å; A490-I553 PolarHBondContact O-N 3.45Å; V492-I553 HydrophobicContact CG2-CD1 3.6Å; V492-I553 HydrophobicContact CG2-CG1 3.88Å; F515-I553 HydrophobicContact CB-CG2 4.14Å; F515-I553 HydrophobicContact CD1-CG2 4.07Å; F515-I553 HydrophobicContact CG-CG2 4.32Å; S516-I553 WeakPolarHBondContact O-CA 3.48Å; F517-I553 HydrophobicContact CD2-CG1 3.94Å; I553-V569 HydrophobicContact CD1-CG1 4.04Å; I553-V569 HydrophobicContact CG2-CG1 4.33Å; I553-V571 HydrophobicContact CD1-CG2 4.37Å; I553-L588 HydrophobicContact CD1-CD2 3.87Å |
| 554 | R | 93.8 | Very high | 82.9 | Confident | 63 Ų | 63 | 63 Ų | 63 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.9 | 177.4 | -67.5 | -176.7 | 168 | 109 | 11.1 | 112.1 | A487 I488 F515 S516 E518 V552 | A487-R554 WeakPolarHBondContact O-CA 3.23Å; I488-R554 HydrophobicContact CG1-CG 4.29Å; F515-R554 CarbonylContact C-O 3.58Å; F515-R554 WeakPolarHBondContact CA-O 3.4Å; F515-R554 WeakPolarHBondContact CB-O 3.31Å; S516-R554 PolarHBondContact N-O 3.38Å; S516-R554 PolarHBondContact O-N 3.17Å; E518-R554 IonicContact OE2-CZ 3.41Å; E518-R554 IonicContact OE2-NH1 3.75Å; E518-R554 PolarHBondContact OE2-NH1 2.81Å; V552-R554 VanDerWaalsContact CG1-NH1 3.3Å; V552-R554 HydrophobicContact CG2-CG 4.14Å |
| 555 | T | 94 | Very high | 85.7 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 134.7 | 171.6 | 56.4 | 0 | 0 | 0 | 0 | 111.8 | T483 P484 R486 A487 V489 F515 K557 | T483-T555 HydrophobicContact CG2-CG2 3.88Å; P484-T555 PolarHBondContact O-OG1 2.82Å; R486-T555 WeakPolarHBondContact CA-O 3.39Å; R486-T555 PolarHBondContact N-O 2.89Å; R486-T555 PolarHBondContact N-OG1 2.72Å; R486-T555 VanDerWaalsContact N-OG1 3.08Å; A487-T555 HydrophobicContact CB-CG2 4.45Å; A487-T555 PolarHBondContact N-OG1 3.13Å; A487-T555 VanDerWaalsContact N-OG1 3.07Å; A487-T555 PolarHBondContact O-N 2.65Å; A487-T555 VanDerWaalsContact O-N 3.09Å; V489-T555 HydrophobicContact CG2-CG2 3.92Å; F515-T555 HydrophobicContact CD1-CG2 4.38Å; F515-T555 HydrophobicContact CE1-CG2 4.1Å; T555-K557 WeakPolarHBondContact CB-O 3.4Å |
| 556 | R | 92 | Very high | 88.2 | Confident | 116 Ų | 116 | 61.7 Ų | 61.7 | 44% | 0.438 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -92.6 | -29.7 | 171.1 | -68.1 | -172 | -166.9 | -113.7 | 23.9 | 113.2 | Q485 D512 M514 F515 | Q485-R556 VanDerWaalsContact CG-O 3.23Å; Q485-R556 WeakPolarHBondContact CG-O 3.48Å; Q485-R556 PolarHBondContact NE2-O 3.09Å; D512-R556 WeakPolarHBondContact O-CD 3.35Å; D512-R556 VanDerWaalsContact O-CZ 3.22Å; D512-R556 PolarHBondContact O-NE 2.87Å; D512-R556 PolarHBondContact O-NH2 3.4Å; D512-R556 VanDerWaalsContact O-NH2 3.09Å; M514-R556 WeakPolarHBondContact O-CB 3.35Å; M514-R556 PolarHBondContact O-N 2.87Å; F515-R556 PolarHBondContact O-NE 2.92Å |
| 557 | K | 89.7 | Confident | 90.5 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 39% | 0.391 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -118.6 | 170.9 | 174.4 | -50.9 | 167.6 | -176.9 | 168.4 | 0 | 108.3 | D513 M514 T555 | D513-K557 WeakPolarHBondContact O-CE 3.2Å; D513-K557 IonicContact OD2-NZ 3.17Å; D513-K557 PolarHBondContact OD2-NZ 3.46Å; M514-K557 HydrophobicContact CE-CB 4.49Å; M514-K557 HydrophobicContact SD-CB 3.74Å; M514-K557 HydrophobicContact SD-CD 3.99Å; M514-K557 HydrophobicContact SD-CG 4.17Å; T555-K557 WeakPolarHBondContact CB-O 3.4Å |
| 558 | I | 90.9 | Very high | 91.7 | Very high | 94 Ų | 94 | 56.3 Ų | 56.3 | 48% | 0.482 | 25% | 0.251 | S | S | . | . | trans | -77.1 | 134.1 | 163.8 | -63.5 | 172.8 | 0 | 0 | 0 | 106.4 | ||||
| 559 | P | 91.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | trans | -71.5 | 144.3 | 174.4 | 26.2 | -28.9 | 0 | 0 | 0 | 111.5 | E480 V481 T483 M514 I592 | E480-P559 WeakPolarHBondContact CA-O 3.21Å; E480-P559 WeakPolarHBondContact CB-O 3.5Å; V481-P559 PolarHBondContact N-O 2.85Å; T483-P559 HydrophobicContact CG2-CG 4.03Å; T483-P559 WeakPolarHBondContact O-CD 3.24Å; M514-P559 HydrophobicContact CE-CB 3.67Å; M514-P559 HydrophobicContact CE-CG 4.46Å; P559-I592 HydrophobicContact CB-CD1 3.73Å; P559-I592 HydrophobicContact CB-CG1 4.25Å; P559-I592 HydrophobicContact CB-CG2 4.32Å; P559-I592 HydrophobicContact CG-CD1 4.49Å | ||
| 560 | D | 91.5 | Very high | 92.6 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | trans | -138.1 | 122.5 | -177 | 172.3 | -39 | 0 | 0 | 0 | 106.2 | E562 E563 K564 | D560-E562 WeakPolarHBondContact OD1-CA 3.23Å; D560-E562 WeakPolarHBondContact OD1-CB 3.3Å; D560-E562 PolarHBondContact OD1-N 2.9Å; D560-E563 HydrophobicContact CB-CB 4.34Å; D560-E563 PolarHBondContact OD1-N 3.46Å; D560-K564 PolarHBondContact O-N 2.84Å; D560-K564 VanDerWaalsContact O-N 3.08Å | ||
| 561 | R | 93.2 | Very high | 92.8 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -85.1 | -24.6 | -174 | -163.2 | -160.8 | 62.4 | 33.8 | -1.3 | 111.9 | E480 H565 I592 D594 L631 D632 | E480-R561 VanDerWaalsContact CD-CB 3.43Å; E480-R561 VanDerWaalsContact OE1-CB 3.23Å; E480-R561 WeakPolarHBondContact OE1-CB 3.35Å; E480-R561 IonicContact OE1-NE 2.67Å; E480-R561 WeakPolarHBondContact OE2-CA 3.48Å; E480-R561 WeakPolarHBondContact OE2-CB 3.47Å; E480-R561 PolarHBondContact OE2-N 2.85Å; R561-H565 HydrophobicContact CG-CB 3.55Å; R561-H565 PolarHBondContact O-N 2.83Å; R561-I592 HydrophobicContact CB-CB 4.32Å; R561-I592 HydrophobicContact CB-CG2 3.88Å; R561-I592 HydrophobicContact CG-CB 4.21Å; R561-I592 HydrophobicContact CG-CG2 4.25Å; R561-D594 IonicContact CZ-OD1 3.84Å; R561-D594 IonicContact NE-OD1 2.73Å; R561-D594 PolarHBondContact NE-OD1 3.13Å; R561-D594 IonicContact NH2-OD1 3.59Å; R561-D594 PolarHBondContact NH2-OD1 3.31Å; R561-L631 PolarHBondContact NH2-O 3.08Å; R561-D632 VanDerWaalsContact NH2-CA 3.34Å |
| 562 | E | 91.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.3 | -41 | 173.3 | -87.2 | 54.9 | -90.5 | 0 | 0 | 110.6 | D560 H598 L631 | D560-E562 WeakPolarHBondContact OD1-CA 3.23Å; D560-E562 WeakPolarHBondContact OD1-CB 3.3Å; D560-E562 PolarHBondContact OD1-N 2.9Å; E562-H598 IonicContact OE2-CE1 2.73Å; E562-H598 PolarHBondContact OE2-CE1 2.85Å; E562-H598 IonicContact OE2-ND1 2.67Å; E562-H598 PolarHBondContact OE2-ND1 2.84Å; E562-H598 VanDerWaalsContact OE2-ND1 3.14Å; E562-L631 HydrophobicContact CG-CB 3.72Å; E562-L631 VanDerWaalsContact OE1-O 3.07Å |
| 563 | E | 90.7 | Very high | 93 | Very high | 149 Ų | 149 | 48.8 Ų | 48.8 | 70% | 0.696 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -70.5 | -54.7 | 170.6 | -172.8 | 176.8 | -151 | 0 | 0 | 110.7 | D560 | D560-E563 HydrophobicContact CB-CB 4.34Å; D560-E563 PolarHBondContact OD1-N 3.46Å |
| 564 | K | 91.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 51.4 Ų | 51.4 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -156.9 | 95.6 | -174.1 | -175.7 | 167 | 166.2 | -177.8 | 0 | 114.8 | E511 D560 F566 Y567 | E511-K564 IonicContact OE1-NZ 3.2Å; E511-K564 PolarHBondContact OE1-NZ 3.14Å; E511-K564 IonicContact OE2-NZ 2.9Å; E511-K564 PolarHBondContact OE2-NZ 3.01Å; D560-K564 PolarHBondContact O-N 2.84Å; D560-K564 VanDerWaalsContact O-N 3.08Å; K564-F566 VanDerWaalsContact C-N 3.27Å; K564-F566 WeakPolarHBondContact CE-O 3.23Å; K564-F566 VanDerWaalsContact CG-O 3.31Å; K564-F566 WeakPolarHBondContact CG-O 3.18Å; K564-F566 PolarHBondContact O-N 3.44Å; K564-F566 VanDerWaalsContact O-N 3.11Å; K564-Y567 HydrophobicContact CB-CE1 4.44Å; K564-Y567 HydrophobicContact CB-CE2 4.3Å; K564-Y567 HydrophobicContact CD-CD1 3.93Å; K564-Y567 HydrophobicContact CD-CE1 3.49Å; K564-Y567 VanDerWaalsContact CD-CE1 3.49Å; K564-Y567 HydrophobicContact CD-CE2 4.46Å; K564-Y567 HydrophobicContact CG-CD1 4.46Å; K564-Y567 HydrophobicContact CG-CE1 3.99Å; K564-Y567 HydrophobicContact CG-CE2 4.06Å; K564-Y567 WeakPolarHBondContact O-CE2 3.38Å |
| 565 | H | 92.2 | Very high | 92.8 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -63 | -12.6 | 178.5 | 69.5 | -91.8 | 0 | 0 | 0 | 117.6 | R561 I592 | R561-H565 HydrophobicContact CG-CB 3.55Å; R561-H565 PolarHBondContact O-N 2.83Å; H565-I592 PolarHBondContact O-N 2.82Å |
| 566 | F | 93.9 | Very high | 92.2 | Very high | 109 Ų | 109 | 51.6 Ų | 51.6 | 48% | 0.478 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 146.5 | 179.2 | 82.9 | -77.5 | 0 | 0 | 0 | 113.6 | K564 I590 | K564-F566 VanDerWaalsContact C-N 3.27Å; K564-F566 WeakPolarHBondContact CE-O 3.23Å; K564-F566 VanDerWaalsContact CG-O 3.31Å; K564-F566 WeakPolarHBondContact CG-O 3.18Å; K564-F566 PolarHBondContact O-N 3.44Å; K564-F566 VanDerWaalsContact O-N 3.11Å; F566-I590 WeakPolarHBondContact CA-O 3.08Å |
| 567 | Y | 94.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.2 | 175.7 | -60.7 | -99.2 | 0 | 0 | 0 | 110.5 | E511 M514 F515 K564 I590 I592 | E511-Y567 HydrophobicContact CB-CD1 4.43Å; E511-Y567 HydrophobicContact CG-CD1 4.28Å; E511-Y567 WeakPolarHBondContact OE1-CA 3.19Å; M514-Y567 HydrophobicContact CB-CD1 4.25Å; M514-Y567 HydrophobicContact CB-CE1 3.89Å; M514-Y567 HydrophobicContact CG-CD1 3.99Å; M514-Y567 HydrophobicContact CG-CE1 3.51Å; M514-Y567 HydrophobicContact SD-CE1 4.47Å; F515-Y567 AromaticContact CE2-CD1 3.76Å; F515-Y567 HydrophobicContact CE2-CD1 3.76Å; F515-Y567 HydrophobicContact CE2-CD2 4.39Å; F515-Y567 HydrophobicContact CE2-CE1 4.46Å; F515-Y567 AromaticContact CE2-CG 3.73Å; F515-Y567 HydrophobicContact CE2-CG 3.73Å; F515-Y567 HydrophobicContact CZ-CD1 4.44Å; F515-Y567 HydrophobicContact CZ-CD2 4.33Å; F515-Y567 HydrophobicContact CZ-CG 4.1Å; K564-Y567 HydrophobicContact CB-CE1 4.44Å; K564-Y567 HydrophobicContact CB-CE2 4.3Å; K564-Y567 HydrophobicContact CD-CD1 3.93Å; K564-Y567 HydrophobicContact CD-CE1 3.49Å; K564-Y567 VanDerWaalsContact CD-CE1 3.49Å; K564-Y567 HydrophobicContact CD-CE2 4.46Å; K564-Y567 HydrophobicContact CG-CD1 4.46Å; K564-Y567 HydrophobicContact CG-CE1 3.99Å; K564-Y567 HydrophobicContact CG-CE2 4.06Å; K564-Y567 WeakPolarHBondContact O-CE2 3.38Å; Y567-I590 PolarHBondContact N-O 3.36Å; Y567-I590 PolarHBondContact O-N 2.9Å; Y567-I592 HydrophobicContact CD2-CD1 4.12Å; Y567-I592 HydrophobicContact CD2-CG1 4.09Å; Y567-I592 HydrophobicContact CE2-CD1 4.02Å; Y567-I592 HydrophobicContact CE2-CG1 3.77Å |
| 568 | T | 94.4 | Very high | 91.1 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 91.7 | 173.1 | -61.1 | 0 | 0 | 0 | 0 | 110 | E511 T570 H589 | E511-T568 PolarHBondContact OE1-N 2.78Å; E511-T568 VanDerWaalsContact OE1-N 3.16Å; T568-T570 PolarHBondContact O-N 3.37Å; T568-H589 PolarHBondContact OG1-ND1 3.33Å; T568-H589 VanDerWaalsContact OG1-ND1 3.09Å |
| 569 | V | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 106.5 | -175.8 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | L508 E511 F515 I553 S587 L588 I590 | L508-V569 HydrophobicContact CD1-CG1 3.4Å; L508-V569 VanDerWaalsContact CD1-CG1 3.4Å; E511-V569 HydrophobicContact CB-CG2 4.14Å; E511-V569 HydrophobicContact CG-CG2 4.26Å; F515-V569 HydrophobicContact CD2-CG2 3.42Å; F515-V569 VanDerWaalsContact CD2-CG2 3.42Å; F515-V569 HydrophobicContact CE2-CG2 3.6Å; F515-V569 HydrophobicContact CG-CG2 3.99Å; F515-V569 HydrophobicContact CZ-CG2 4.31Å; I553-V569 HydrophobicContact CD1-CG1 4.04Å; I553-V569 HydrophobicContact CG2-CG1 4.33Å; V569-S587 CarbonylContact O-C 3.56Å; V569-S587 WeakPolarHBondContact O-CA 3.11Å; V569-L588 HydrophobicContact CB-CB 4.37Å; V569-L588 PolarHBondContact N-O 3.35Å; V569-L588 PolarHBondContact O-N 2.65Å; V569-I590 HydrophobicContact CB-CD1 4.39Å; V569-I590 HydrophobicContact CG2-CD1 3.49Å; V569-I590 VanDerWaalsContact CG2-CD1 3.49Å; V569-I590 HydrophobicContact CG2-CG1 4.35Å |
| 570 | T | 94.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.1 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | L508 I509 T568 N585 A586 S587 | L508-T570 WeakPolarHBondContact CD1-O 3.5Å; I509-T570 PolarHBondContact N-O 2.88Å; T568-T570 PolarHBondContact O-N 3.37Å; T570-N585 HydrophobicContact CG2-CB 3.98Å; T570-A586 WeakPolarHBondContact CA-O 3.24Å; T570-S587 PolarHBondContact OG1-OG 3.17Å |
| 571 | V | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138.4 | 171.3 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | I462 F464 C506 H507 L508 F517 I553 N585 A586 | I462-V571 HydrophobicContact CD1-CG1 4.35Å; F464-V571 HydrophobicContact CE1-CG2 4.14Å; F464-V571 HydrophobicContact CZ-CG2 4.45Å; C506-V571 HydrophobicContact CB-CG1 4.48Å; H507-V571 WeakPolarHBondContact O-CA 3.03Å; L508-V571 HydrophobicContact CD1-CG2 4.11Å; F517-V571 HydrophobicContact CD2-CG2 4Å; F517-V571 HydrophobicContact CE1-CG1 4.32Å; F517-V571 HydrophobicContact CE2-CB 4.46Å; F517-V571 HydrophobicContact CE2-CG1 3.77Å; F517-V571 HydrophobicContact CE2-CG2 3.75Å; F517-V571 HydrophobicContact CZ-CG1 3.61Å; F517-V571 HydrophobicContact CZ-CG2 4.43Å; I553-V571 HydrophobicContact CD1-CG2 4.37Å; V571-N585 CarbonylContact O-C 3.58Å; V571-N585 VanDerWaalsContact O-CA 3.23Å; V571-N585 WeakPolarHBondContact O-CA 3.48Å; V571-A586 PolarHBondContact N-O 3.39Å; V571-A586 PolarHBondContact O-N 3.5Å |
| 572 | E | 94.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.3 | 166.9 | 173.5 | 168 | -93.6 | 0 | 0 | 110.1 | C506 H507 I509 I574 R584 N585 | C506-E572 CarbonylContact C-O 3.52Å; C506-E572 VanDerWaalsContact CA-O 3.22Å; C506-E572 WeakPolarHBondContact CA-O 3.16Å; H507-E572 IonicContact CE1-OE2 2.64Å; H507-E572 PolarHBondContact CE1-OE2 3.07Å; H507-E572 PolarHBondContact N-O 3.12Å; H507-E572 PolarHBondContact O-N 2.95Å; I509-E572 HydrophobicContact CD1-CB 3.36Å; I509-E572 HydrophobicContact CD1-CG 4.21Å; I509-E572 HydrophobicContact CG1-CB 4.05Å; E572-I574 HydrophobicContact CG-CG1 4.14Å; E572-R584 WeakPolarHBondContact CA-O 3.28Å; E572-N585 HydrophobicContact CB-CB 4.22Å |
| 573 | C | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.6 | 172.3 | -65.7 | 0 | 0 | 0 | 0 | 108.7 | P460 I462 V494 I504 C506 S583 R584 | P460-C573 HydrophobicContact CB-CB 3.75Å; P460-C573 HydrophobicContact CG-CB 4.31Å; I462-C573 HydrophobicContact CD1-CB 3.88Å; I462-C573 VanDerWaalsContact CD1-SG 3.6Å; I462-C573 HydrophobicContact CG1-CB 4.06Å; V494-C573 HydrophobicContact CG1-CB 4.11Å; I504-C573 HydrophobicContact CG2-CB 4.23Å; C506-C573 HydrophobicContact CB-CB 4.1Å; C506-C573 WeakPolarHBondContact CB-SG 3.45Å; C506-C573 WeakPolarHBondContact SG-CB 3.49Å; C506-C573 CovalentContact SG-SG 2.03Å; C506-C573 PolarHBondContact SG-SG 3Å; C573-S583 WeakPolarHBondContact O-CA 3.16Å; C573-R584 PolarHBondContact N-O 2.84Å; C573-R584 PolarHBondContact O-N 2.89Å |
| 574 | I | 93.4 | Very high | 90.5 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 28% | 0.282 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140 | 177.1 | -37.7 | -177.8 | 0 | 0 | 0 | 106.2 | I504 R505 E572 A581 L582 | I504-I574 CarbonylContact C-O 3.52Å; R505-I574 PolarHBondContact N-O 3.49Å; R505-I574 PolarHBondContact O-N 2.74Å; E572-I574 HydrophobicContact CG-CG1 4.14Å; I574-A581 HydrophobicContact CG2-CB 4.29Å; I574-L582 WeakPolarHBondContact CA-O 3.48Å; I574-L582 WeakPolarHBondContact CG2-O 3.36Å |
| 575 | D | 90.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -70.6 | -171.5 | 163.2 | 61.9 | 64.1 | 0 | 0 | 0 | 111 | N456 S499 E577 A581 L582 | N456-D575 VanDerWaalsContact ND2-CG 3.28Å; N456-D575 PolarHBondContact ND2-OD1 2.88Å; N456-D575 PolarHBondContact ND2-OD2 3.29Å; S499-D575 WeakPolarHBondContact OG-CB 3.28Å; D575-E577 PolarHBondContact OD1-N 3.09Å; D575-A581 WeakPolarHBondContact OD1-CA 3.43Å; D575-A581 VanDerWaalsContact OD1-CB 3.24Å; D575-A581 WeakPolarHBondContact OD1-CB 3.45Å; D575-L582 PolarHBondContact N-O 2.87Å; D575-L582 PolarHBondContact OD1-N 2.83Å; D575-L582 WeakPolarHBondContact OD2-CA 3.34Å; D575-L582 WeakPolarHBondContact OD2-CB 3.48Å; D575-L582 PolarHBondContact OD2-N 2.92Å; D575-L582 VanDerWaalsContact OD2-O 3.05Å | ||
| 576 | D | 81.6 | Confident | 90.6 | Very high | 67 Ų | 67 | 56 Ų | 56 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | trans | -125.2 | 30.8 | 178.3 | -146.6 | -7 | 0 | 0 | 0 | 112.7 | Q503 R505 G578 | Q503-D576 HydrophobicContact CB-CB 3.87Å; Q503-D576 HydrophobicContact CG-CB 4.21Å; R505-D576 IonicContact CZ-OD1 3.19Å; R505-D576 VanDerWaalsContact CZ-OD1 3.29Å; R505-D576 IonicContact CZ-OD2 2.68Å; R505-D576 IonicContact NE-OD1 3.82Å; R505-D576 IonicContact NE-OD2 3.73Å; R505-D576 PolarHBondContact NE-OD2 2.84Å; R505-D576 IonicContact NH1-OD1 2.66Å; R505-D576 IonicContact NH1-OD2 3.14Å; R505-D576 PolarHBondContact NH1-OD2 2.83Å; R505-D576 IonicContact NH2-OD1 2.83Å; R505-D576 PolarHBondContact NH2-OD1 3.08Å; R505-D576 IonicContact NH2-OD2 3.08Å; R505-D576 PolarHBondContact NH2-OD2 3.42Å; D576-G578 PolarHBondContact O-N 2.77Å | ||
| 577 | E | 79.7 | Confident | 90.7 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | trans | -79.4 | 35.8 | 177.8 | -73.9 | -58.9 | 139 | 0 | 0 | 113.4 | N456 Q503 D575 Q579 Y580 | N456-E577 HydrophobicContact CB-CB 4.4Å; N456-E577 HydrophobicContact CB-CG 4.34Å; Q503-E577 PolarHBondContact NE2-OE1 3.06Å; Q503-E577 PolarHBondContact OE1-OE1 2.99Å; D575-E577 PolarHBondContact OD1-N 3.09Å; E577-Q579 PolarHBondContact O-N 2.79Å; E577-Y580 PolarHBondContact O-N 2.84Å | ||
| 578 | G | 79.5 | Confident | 90.7 | Very high | 63 Ų | 63 | 52.2 Ų | 52.2 | 65% | 0.649 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -103.8 | 168 | 0 | 0 | 0 | 0 | 0 | 114.5 | D576 | D576-G578 PolarHBondContact O-N 2.77Š|
| 579 | Q | 82.6 | Confident | 90.7 | Very high | 180 Ų | 180 | 54.7 Ų | 54.7 | 84% | 0.841 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -21.1 | 178.3 | -177 | 170.6 | -1.5 | 0 | 0 | 112.8 | E577 A581 | E577-Q579 PolarHBondContact O-N 2.79Å; Q579-A581 VanDerWaalsContact C-N 3.32Å |
| 580 | Y | 85 | Confident | 90.7 | Very high | 172 Ų | 172 | 54.8 Ų | 54.8 | 68% | 0.675 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -96.6 | 12.1 | 178.6 | -55.9 | -73.5 | 0 | 0 | 0 | 112.1 | N456 E577 L582 | N456-Y580 PolarHBondContact ND2-O 2.93Å; E577-Y580 PolarHBondContact O-N 2.84Å; Y580-L582 PolarHBondContact O-N 2.75Å |
| 581 | A | 89.3 | Confident | 90.7 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 31% | 0.306 | 31% | 0.311 | S | S | . | . | trans | -68.8 | 131 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I574 D575 Q579 | I574-A581 HydrophobicContact CG2-CB 4.29Å; D575-A581 WeakPolarHBondContact OD1-CA 3.43Å; D575-A581 VanDerWaalsContact OD1-CB 3.24Å; D575-A581 WeakPolarHBondContact OD1-CB 3.45Å; Q579-A581 VanDerWaalsContact C-N 3.32Å | ||
| 582 | L | 92.4 | Very high | 90.6 | Very high | 54 Ų | 54 | 58 Ų | 58 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | trans | -108.4 | 146.1 | -178.1 | -59.1 | 179.4 | 0 | 0 | 0 | 110.3 | N456 P459 I574 D575 Y580 | N456-L582 WeakPolarHBondContact ND2-CG 3.07Å; P459-L582 HydrophobicContact CB-CB 3.84Å; P459-L582 HydrophobicContact CG-CB 4.24Å; P459-L582 HydrophobicContact CG-CD1 4.19Å; I574-L582 WeakPolarHBondContact CA-O 3.48Å; I574-L582 WeakPolarHBondContact CG2-O 3.36Å; D575-L582 PolarHBondContact N-O 2.87Å; D575-L582 PolarHBondContact OD1-N 2.83Å; D575-L582 WeakPolarHBondContact OD2-CA 3.34Å; D575-L582 WeakPolarHBondContact OD2-CB 3.48Å; D575-L582 PolarHBondContact OD2-N 2.92Å; D575-L582 VanDerWaalsContact OD2-O 3.05Å; Y580-L582 PolarHBondContact O-N 2.75Å | ||
| 583 | S | 93.2 | Very high | 90.5 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.1 | 176.2 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | C573 | C573-S583 WeakPolarHBondContact O-CA 3.16Å |
| 584 | R | 94.2 | Very high | 90.3 | Very high | 96 Ų | 96 | 61 Ų | 61 | 36% | 0.362 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.7 | 164.2 | -173.2 | 172.5 | -69.1 | 127 | -2.6 | 109.6 | P459 P460 I462 E572 C573 | P459-R584 HydrophobicContact CB-CB 4.35Å; P459-R584 PolarHBondContact O-NH1 2.86Å; P460-R584 VanDerWaalsContact C-NH1 3.33Å; P460-R584 VanDerWaalsContact O-CB 3.27Å; P460-R584 WeakPolarHBondContact O-CB 3.14Å; P460-R584 WeakPolarHBondContact O-CD 3.36Å; P460-R584 PolarHBondContact O-NH1 2.65Å; I462-R584 VanDerWaalsContact CD1-O 3.28Å; I462-R584 WeakPolarHBondContact CD1-O 3.28Å; E572-R584 WeakPolarHBondContact CA-O 3.28Å; C573-R584 PolarHBondContact N-O 2.84Å; C573-R584 PolarHBondContact O-N 2.89Å |
| 585 | N | 93.8 | Very high | 90.1 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 153 | 167 | 58.6 | 58.9 | 0 | 0 | 0 | 111.7 | T570 V571 E572 | T570-N585 HydrophobicContact CG2-CB 3.98Å; V571-N585 CarbonylContact O-C 3.58Å; V571-N585 VanDerWaalsContact O-CA 3.23Å; V571-N585 WeakPolarHBondContact O-CA 3.48Å; E572-N585 HydrophobicContact CB-CB 4.22Å |
| 586 | A | 93 | Very high | 90.2 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 143.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I462 F464 T570 V571 | I462-A586 HydrophobicContact CB-CB 3.81Å; I462-A586 HydrophobicContact CD1-CB 4.07Å; I462-A586 HydrophobicContact CG1-CB 4.49Å; I462-A586 HydrophobicContact CG2-CB 3.86Å; F464-A586 HydrophobicContact CE2-CB 3.76Å; F464-A586 HydrophobicContact CZ-CB 3.98Å; T570-A586 WeakPolarHBondContact CA-O 3.24Å; V571-A586 PolarHBondContact N-O 3.39Å; V571-A586 PolarHBondContact O-N 3.5Å |
| 587 | S | 94.5 | Very high | 90.5 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.6 | -177.3 | -61.8 | 0 | 0 | 0 | 0 | 112.2 | V569 T570 | V569-S587 CarbonylContact O-C 3.56Å; V569-S587 WeakPolarHBondContact O-CA 3.11Å; T570-S587 PolarHBondContact OG1-OG 3.17Å |
| 588 | L | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.6 | 170.3 | 178.1 | 66.4 | 0 | 0 | 0 | 108.3 | F464 L471 I476 V489 A490 I553 V569 I590 | F464-L588 HydrophobicContact CB-CD1 4.38Å; F464-L588 HydrophobicContact CD1-CB 4.09Å; F464-L588 HydrophobicContact CD1-CD2 4.33Å; F464-L588 HydrophobicContact CD2-CB 4.27Å; F464-L588 HydrophobicContact CE1-CB 3.94Å; F464-L588 HydrophobicContact CE2-CB 4.1Å; F464-L588 HydrophobicContact CG-CB 4.28Å; F464-L588 HydrophobicContact CG-CD1 4.28Å; F464-L588 HydrophobicContact CZ-CB 3.94Å; L471-L588 HydrophobicContact CD1-CD1 3.63Å; I476-L588 HydrophobicContact CG2-CD1 3.96Å; I476-L588 HydrophobicContact CG2-CD2 4.25Å; I476-L588 HydrophobicContact CG2-CG 4.13Å; V489-L588 HydrophobicContact CG1-CD2 4.2Å; A490-L588 HydrophobicContact CB-CD2 3.81Å; I553-L588 HydrophobicContact CD1-CD2 3.87Å; V569-L588 HydrophobicContact CB-CB 4.37Å; V569-L588 PolarHBondContact N-O 3.35Å; V569-L588 PolarHBondContact O-N 2.65Å; L588-I590 HydrophobicContact CD2-CD1 4.38Å; L588-I590 HydrophobicContact CD2-CG1 4.28Å; L588-I590 HydrophobicContact CG-CG1 4.09Å |
| 589 | H | 94.4 | Very high | 91.6 | Very high | 81 Ų | 81 | 62 Ų | 62 | 38% | 0.375 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121.2 | 173.5 | -63 | -71.2 | 0 | 0 | 0 | 109.5 | G474 R475 I476 T568 | G474-H589 PolarHBondContact O-N 2.83Å; R475-H589 WeakPolarHBondContact CA-O 3.33Å; R475-H589 HydrophobicContact CG-CB 4.38Å; I476-H589 PolarHBondContact N-O 2.77Å; T568-H589 PolarHBondContact OG1-ND1 3.33Å; T568-H589 VanDerWaalsContact OG1-ND1 3.09Å |
| 590 | I | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.5 | -179.7 | -53.3 | 174 | 0 | 0 | 0 | 107.7 | I476 L478 V489 F515 F566 Y567 V569 L588 I592 | I476-I590 HydrophobicContact CG2-CB 4.23Å; I476-I590 HydrophobicContact CG2-CG1 3.72Å; I476-I590 HydrophobicContact CG2-CG2 4.26Å; I476-I590 WeakPolarHBondContact O-CA 3.29Å; L478-I590 HydrophobicContact CD1-CG2 3.66Å; L478-I590 HydrophobicContact CG-CG2 3.94Å; V489-I590 HydrophobicContact CG1-CD1 3.84Å; V489-I590 HydrophobicContact CG1-CG1 4.39Å; F515-I590 HydrophobicContact CD1-CD1 4.28Å; F515-I590 HydrophobicContact CE1-CD1 3.59Å; F515-I590 HydrophobicContact CE2-CD1 3.95Å; F515-I590 HydrophobicContact CZ-CD1 3.41Å; F515-I590 VanDerWaalsContact CZ-CD1 3.41Å; F566-I590 WeakPolarHBondContact CA-O 3.08Å; Y567-I590 PolarHBondContact N-O 3.36Å; Y567-I590 PolarHBondContact O-N 2.9Å; V569-I590 HydrophobicContact CB-CD1 4.39Å; V569-I590 HydrophobicContact CG2-CD1 3.49Å; V569-I590 VanDerWaalsContact CG2-CD1 3.49Å; V569-I590 HydrophobicContact CG2-CG1 4.35Å; L588-I590 HydrophobicContact CD2-CD1 4.38Å; L588-I590 HydrophobicContact CD2-CG1 4.28Å; L588-I590 HydrophobicContact CG-CG1 4.09Å; I590-I592 HydrophobicContact CG2-CD1 4.1Å |
| 591 | T | 94.6 | Very high | 92.7 | Very high | 72 Ų | 72 | 49.9 Ų | 49.9 | 44% | 0.442 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.8 | 170.7 | -57 | 0 | 0 | 0 | 0 | 109.1 | I476 S477 L478 | I476-T591 PolarHBondContact O-N 2.77Å; S477-T591 VanDerWaalsContact CA-O 3.27Å; S477-T591 WeakPolarHBondContact CA-O 3.12Å; L478-T591 PolarHBondContact N-O 3.05Å |
| 592 | I | 93.6 | Very high | 93 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.8 | 171 | -50.3 | -51.5 | 0 | 0 | 0 | 108.2 | L478 E480 P559 R561 H565 Y567 I590 | L478-I592 HydrophobicContact CB-CD1 4.29Å; L478-I592 CarbonylContact O-C 3.6Å; L478-I592 WeakPolarHBondContact O-CA 3.16Å; E480-I592 HydrophobicContact CB-CG2 3.75Å; P559-I592 HydrophobicContact CB-CD1 3.73Å; P559-I592 HydrophobicContact CB-CG1 4.25Å; P559-I592 HydrophobicContact CB-CG2 4.32Å; P559-I592 HydrophobicContact CG-CD1 4.49Å; R561-I592 HydrophobicContact CB-CB 4.32Å; R561-I592 HydrophobicContact CB-CG2 3.88Å; R561-I592 HydrophobicContact CG-CB 4.21Å; R561-I592 HydrophobicContact CG-CG2 4.25Å; H565-I592 PolarHBondContact O-N 2.82Å; Y567-I592 HydrophobicContact CD2-CD1 4.12Å; Y567-I592 HydrophobicContact CD2-CG1 4.09Å; Y567-I592 HydrophobicContact CE2-CD1 4.02Å; Y567-I592 HydrophobicContact CE2-CG1 3.77Å; I590-I592 HydrophobicContact CG2-CD1 4.1Å |
| 593 | T | 91.8 | Very high | 93 | Very high | 59 Ų | 59 | 50.6 Ų | 50.6 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129 | -178.6 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | L478 P479 | L478-T593 PolarHBondContact O-N 3.43Å; L478-T593 PolarHBondContact O-OG1 3.47Å; P479-T593 WeakPolarHBondContact CA-OG1 3.31Å |
| 594 | D | 91.1 | Very high | 92.9 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 128.1 | -177.8 | -166.6 | 74.1 | 0 | 0 | 0 | 114.2 | E480 R561 V633 N636 | E480-D594 WeakPolarHBondContact OE1-CA 3.3Å; R561-D594 IonicContact CZ-OD1 3.84Å; R561-D594 IonicContact NE-OD1 2.73Å; R561-D594 PolarHBondContact NE-OD1 3.13Å; R561-D594 IonicContact NH2-OD1 3.59Å; R561-D594 PolarHBondContact NH2-OD1 3.31Å; D594-V633 HydrophobicContact CB-CB 4.4Å; D594-V633 VanDerWaalsContact CG-N 3.35Å; D594-V633 WeakPolarHBondContact OD1-CB 3.25Å; D594-V633 PolarHBondContact OD1-N 2.82Å; D594-V633 PolarHBondContact OD2-N 2.9Å; D594-V633 VanDerWaalsContact OD2-O 3.07Å; D594-N636 WeakPolarHBondContact OD2-CB 3.49Å; D594-N636 PolarHBondContact OD2-ND2 2.91Å |
| 595 | I | 89.6 | Confident | 92.7 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | trans | -121 | 163.3 | 167.7 | -74 | 171.5 | 0 | 0 | 0 | 109.1 | P479 E480 E482 E597 | P479-I595 HydrophobicContact CB-CD1 3.59Å; E480-I595 HydrophobicContact CG-CB 4.1Å; E480-I595 WeakPolarHBondContact O-CD1 3.48Å; E480-I595 PolarHBondContact OE1-N 3.49Å; E480-I595 VanDerWaalsContact OE1-N 3.14Å; E482-I595 HydrophobicContact CG-CD1 4Å; I595-E597 WeakPolarHBondContact CB-OE2 3.2Å; I595-E597 WeakPolarHBondContact CG2-OE2 2.9Å; I595-E597 PolarHBondContact O-N 3.17Å | ||
| 596 | N | 91.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -95.2 | 69.3 | -173.5 | -158.4 | 108.8 | 0 | 0 | 0 | 111.8 | D632 N636 D716 G718 L723 | N596-D632 VanDerWaalsContact CA-OD2 3.26Å; N596-D632 WeakPolarHBondContact CA-OD2 3.46Å; N596-N636 HydrophobicContact CB-CB 4.12Å; N596-N636 WeakPolarHBondContact OD1-CA 3.43Å; N596-N636 WeakPolarHBondContact OD1-CB 2.98Å; N596-N636 VanDerWaalsContact OD1-CG 3.32Å; N596-N636 PolarHBondContact OD1-O 3.45Å; N596-N636 PolarHBondContact OD1-OD1 3.22Å; N596-D716 PolarHBondContact ND2-OD2 3.39Å; N596-G718 WeakPolarHBondContact OD1-CA 3.48Å; N596-L723 VanDerWaalsContact O-CD1 3.31Å; N596-L723 WeakPolarHBondContact O-CD1 3.32Å |
| 597 | E | 88.8 | Confident | 92.8 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | trans | -97.7 | -29.1 | 178.9 | 49.8 | -122.2 | -106.7 | 0 | 0 | 114.6 | V481 I595 D632 | V481-E597 WeakPolarHBondContact CG2-OE1 3.34Å; I595-E597 WeakPolarHBondContact CB-OE2 3.2Å; I595-E597 WeakPolarHBondContact CG2-OE2 2.9Å; I595-E597 PolarHBondContact O-N 3.17Å; E597-D632 PolarHBondContact N-OD2 3.03Å | ||
| 598 | H | 90.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 27% | 0.269 | 27% | 0.27 | S | S | . | . | trans | -82.6 | 157.7 | 171.9 | -59.3 | 92.6 | 0 | 0 | 0 | 110.4 | E562 D630 L631 D632 L723 | E562-H598 IonicContact OE2-CE1 2.73Å; E562-H598 PolarHBondContact OE2-CE1 2.85Å; E562-H598 IonicContact OE2-ND1 2.67Å; E562-H598 PolarHBondContact OE2-ND1 2.84Å; E562-H598 VanDerWaalsContact OE2-ND1 3.14Å; H598-D630 VanDerWaalsContact CB-OD1 3.27Å; H598-D630 WeakPolarHBondContact CB-OD1 3.42Å; H598-L631 HydrophobicContact CB-CB 4.11Å; H598-D632 WeakPolarHBondContact CB-OD1 3.19Å; H598-D632 IonicContact CG-OD1 3.68Å; H598-D632 PolarHBondContact N-OD1 2.94Å; H598-D632 PolarHBondContact N-OD2 3.33Å; H598-D632 VanDerWaalsContact N-OD2 3.09Å; H598-D632 IonicContact ND1-OD1 3.56Å; H598-D632 PolarHBondContact ND1-OD1 2.78Å; H598-L723 VanDerWaalsContact O-CD1 3.27Å; H598-L723 WeakPolarHBondContact O-CD1 3.39Å | ||
| 599 | K | 92.7 | Very high | 92.8 | Very high | 117 Ų | 117 | 51 Ų | 51 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | trans | -127.3 | 151.3 | -178.8 | 70.1 | -173.7 | 176.8 | -174.8 | 0 | 108.3 | I601 D630 L723 | K599-I601 VanDerWaalsContact O-CG1 3.26Å; K599-I601 WeakPolarHBondContact O-CG1 3.39Å; K599-I601 PolarHBondContact O-N 2.85Å; K599-I601 VanDerWaalsContact O-N 3.17Å; K599-D630 PolarHBondContact N-OD1 2.96Å; K599-L723 HydrophobicContact CB-CB 3.66Å; K599-L723 HydrophobicContact CB-CD1 4.27Å | ||
| 600 | P | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -58.2 | 124.9 | -175.6 | -27.1 | 33 | 0 | 0 | 0 | 111.1 | A628 D630 I639 A714 D716 S725 | P600-A628 HydrophobicContact CB-CB 4.34Å; P600-D630 WeakPolarHBondContact CA-OD2 3.43Å; P600-D630 WeakPolarHBondContact CD-OD2 3.18Å; P600-D630 WeakPolarHBondContact CG-OD2 3Å; P600-I639 HydrophobicContact CB-CD1 4.01Å; P600-I639 HydrophobicContact CB-CG1 4.04Å; P600-I639 HydrophobicContact CG-CG1 4.08Å; P600-A714 HydrophobicContact CB-CB 3.67Å; P600-A714 HydrophobicContact CG-CB 4.43Å; P600-D716 HydrophobicContact CG-CB 4.28Å; P600-S725 WeakPolarHBondContact O-CB 3.46Å; P600-S725 PolarHBondContact O-OG 3.16Å | ||
| 601 | I | 94.4 | Very high | 92.9 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 114.6 | -179.9 | -52.5 | -173.2 | 0 | 0 | 0 | 109.6 | K599 A628 T629 | K599-I601 VanDerWaalsContact O-CG1 3.26Å; K599-I601 WeakPolarHBondContact O-CG1 3.39Å; K599-I601 PolarHBondContact O-N 2.85Å; K599-I601 VanDerWaalsContact O-N 3.17Å; I601-A628 CarbonylContact O-C 3.59Å; I601-A628 WeakPolarHBondContact O-CA 3.47Å; I601-A628 WeakPolarHBondContact O-CB 3.48Å; I601-T629 PolarHBondContact N-O 3.09Å; I601-T629 PolarHBondContact O-N 2.97Å |
| 602 | F | 95.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 140 | 172.8 | -77.4 | -78.4 | 0 | 0 | 0 | 112.2 | K604 F607 I626 A628 Y641 V712 A714 S725 A727 | F602-K604 VanDerWaalsContact CB-O 3.29Å; F602-K604 WeakPolarHBondContact CB-O 3.27Å; F602-K604 PolarHBondContact O-N 3.37Å; F602-K604 VanDerWaalsContact O-N 3.16Å; F602-F607 HydrophobicContact CB-CE2 4.26Å; F602-F607 HydrophobicContact CB-CZ 4.46Å; F602-F607 AromaticContact CD1-CE2 3.76Å; F602-F607 HydrophobicContact CD1-CE2 3.76Å; F602-F607 HydrophobicContact CD1-CZ 4.07Å; F602-F607 HydrophobicContact CE1-CE2 4.47Å; F602-F607 HydrophobicContact CG-CE2 4.26Å; F602-I626 HydrophobicContact CD1-CG2 4.5Å; F602-I626 HydrophobicContact CE1-CG2 3.89Å; F602-A628 HydrophobicContact CD1-CB 3.91Å; F602-A628 HydrophobicContact CE1-CB 4.24Å; F602-A628 HydrophobicContact CG-CB 4.15Å; F602-Y641 HydrophobicContact CE1-CD1 4.15Å; F602-Y641 AromaticContact CE1-CE1 3.87Å; F602-Y641 HydrophobicContact CE1-CE1 3.87Å; F602-Y641 HydrophobicContact CZ-CD1 4.37Å; F602-Y641 HydrophobicContact CZ-CE1 4.41Å; F602-V712 HydrophobicContact CE1-CG1 3.9Å; F602-V712 HydrophobicContact CE1-CG2 4.37Å; F602-V712 HydrophobicContact CZ-CB 4.39Å; F602-V712 HydrophobicContact CZ-CG1 3.76Å; F602-V712 HydrophobicContact CZ-CG2 4.06Å; F602-A714 HydrophobicContact CD2-CB 4.36Å; F602-A714 HydrophobicContact CE1-CB 4.05Å; F602-A714 HydrophobicContact CE2-CB 3.59Å; F602-A714 HydrophobicContact CZ-CB 3.4Å; F602-A714 VanDerWaalsContact CZ-CB 3.4Å; F602-S725 VanDerWaalsContact CD2-OG 3.3Å; F602-S725 WeakPolarHBondContact CD2-OG 3.38Å; F602-A727 HydrophobicContact CB-CB 4.09Å; F602-A727 HydrophobicContact CD1-CB 4.08Å; F602-A727 HydrophobicContact CD2-CB 3.62Å; F602-A727 HydrophobicContact CE1-CB 4.4Å; F602-A727 HydrophobicContact CE2-CB 3.97Å; F602-A727 HydrophobicContact CG-CB 3.67Å; F602-A727 HydrophobicContact CZ-CB 4.34Å |
| 603 | T | 93 | Very high | 92.7 | Very high | 85 Ų | 85 | 50 Ų | 50 | 52% | 0.521 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -62.9 | -17.2 | 174.4 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | H627 | T603-H627 HydrophobicContact CG2-CB 4.13Å; T603-H627 WeakPolarHBondContact CG2-O 3.23Å; T603-H627 PolarHBondContact N-O 3Å; T603-H627 PolarHBondContact OG1-O 2.95Å |
| 604 | K | 90.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 38% | 0.378 | 26% | 0.26 | S | S | . | . | trans | -146.8 | 151.9 | 172.3 | -66.9 | -175.9 | 175.8 | 177.6 | 0 | 110.7 | F602 I606 F607 T624 | F602-K604 VanDerWaalsContact CB-O 3.29Å; F602-K604 WeakPolarHBondContact CB-O 3.27Å; F602-K604 PolarHBondContact O-N 3.37Å; F602-K604 VanDerWaalsContact O-N 3.16Å; K604-I606 WeakPolarHBondContact CB-O 3.34Å; K604-I606 WeakPolarHBondContact CD-O 3.42Å; K604-F607 HydrophobicContact CB-CD1 4.48Å; K604-F607 HydrophobicContact CB-CE1 4.06Å; K604-F607 HydrophobicContact CB-CE2 4.12Å; K604-F607 HydrophobicContact CB-CZ 3.87Å; K604-F607 HydrophobicContact CD-CD1 4.4Å; K604-F607 HydrophobicContact CD-CE1 4.36Å; K604-F607 HydrophobicContact CG-CE1 4.36Å; K604-F607 VanDerWaalsContact O-CE2 3.28Å; K604-F607 WeakPolarHBondContact O-CE2 3.42Å; K604-T624 WeakPolarHBondContact CE-OG1 3.48Å; K604-T624 PolarHBondContact NZ-OG1 3.02Å | ||
| 605 | S | 91 | Very high | 92.3 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -76.9 | -23.7 | 168.9 | 52 | 0 | 0 | 0 | 0 | 113.7 | N728 | S605-N728 PolarHBondContact O-N 3.05Š|
| 606 | I | 92.8 | Very high | 92.2 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.1 | 178 | -50.3 | -179.9 | 0 | 0 | 0 | 109.3 | K604 N728 V730 | K604-I606 WeakPolarHBondContact CB-O 3.34Å; K604-I606 WeakPolarHBondContact CD-O 3.42Å; I606-N728 CarbonylContact C-O 3.31Å; I606-N728 WeakPolarHBondContact CA-O 3.41Å; I606-N728 HydrophobicContact CG1-CB 4.39Å; I606-V730 HydrophobicContact CG2-CG2 4.23Å |
| 607 | F | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 148.8 | 169.6 | -62.9 | -91.3 | 0 | 0 | 0 | 110 | F602 K604 M622 P625 I626 A727 N728 I729 V730 | F602-F607 HydrophobicContact CB-CE2 4.26Å; F602-F607 HydrophobicContact CB-CZ 4.46Å; F602-F607 AromaticContact CD1-CE2 3.76Å; F602-F607 HydrophobicContact CD1-CE2 3.76Å; F602-F607 HydrophobicContact CD1-CZ 4.07Å; F602-F607 HydrophobicContact CE1-CE2 4.47Å; F602-F607 HydrophobicContact CG-CE2 4.26Å; K604-F607 HydrophobicContact CB-CD1 4.48Å; K604-F607 HydrophobicContact CB-CE1 4.06Å; K604-F607 HydrophobicContact CB-CE2 4.12Å; K604-F607 HydrophobicContact CB-CZ 3.87Å; K604-F607 HydrophobicContact CD-CD1 4.4Å; K604-F607 HydrophobicContact CD-CE1 4.36Å; K604-F607 HydrophobicContact CG-CE1 4.36Å; K604-F607 VanDerWaalsContact O-CE2 3.28Å; K604-F607 WeakPolarHBondContact O-CE2 3.42Å; F607-M622 HydrophobicContact CB-CE 3.7Å; F607-P625 VanDerWaalsContact CE1-O 3.28Å; F607-P625 WeakPolarHBondContact CE1-O 3.31Å; F607-I626 HydrophobicContact CB-CG1 4.34Å; F607-I626 HydrophobicContact CD1-CG1 4.13Å; F607-I626 HydrophobicContact CD2-CG1 4.43Å; F607-I626 HydrophobicContact CG-CG1 4.05Å; F607-A727 HydrophobicContact CD2-CB 4.02Å; F607-A727 HydrophobicContact CE2-CB 3.77Å; F607-N728 PolarHBondContact N-O 3.18Å; F607-I729 HydrophobicContact CB-CG1 4.47Å; F607-I729 WeakPolarHBondContact O-CA 3.21Å; F607-V730 PolarHBondContact O-N 2.9Å |
| 608 | T | 95.6 | Very high | 92.1 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 34% | 0.344 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.1 | -179 | 42.1 | 0 | 0 | 0 | 0 | 110.2 | M622 L623 V730 | T608-M622 WeakPolarHBondContact O-CE 3.41Å; T608-L623 PolarHBondContact O-N 3.42Å; T608-V730 WeakPolarHBondContact CA-O 3.33Å; T608-V730 HydrophobicContact CG2-CB 4.41Å |
| 609 | G | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H621 V730 I731 T732 | G609-H621 VanDerWaalsContact CA-O 3.3Å; G609-H621 WeakPolarHBondContact CA-O 3.36Å; G609-V730 PolarHBondContact N-O 2.84Å; G609-I731 WeakPolarHBondContact O-CA 3.41Å; G609-T732 PolarHBondContact O-N 2.78Å; G609-T732 PolarHBondContact O-OG1 2.97Å |
| 610 | Q | 95.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 29% | 0.285 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.3 | -178 | -72.4 | 164 | -85.3 | 0 | 0 | 110.4 | H621 T732 E734 | Q610-H621 PolarHBondContact N-O 2.97Å; Q610-H621 PolarHBondContact O-N 3.45Å; Q610-T732 WeakPolarHBondContact CA-O 3.43Å; Q610-T732 WeakPolarHBondContact CG-OG1 3.49Å; Q610-E734 PolarHBondContact NE2-OE1 3.36Å |
| 611 | V | 94.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 133.9 | 172.1 | 64 | 0 | 0 | 0 | 0 | 109.9 | A618 V620 T696 L700 I731 T732 V733 E734 | V611-A618 HydrophobicContact CG2-CB 3.74Å; V611-V620 HydrophobicContact CB-CG2 4.29Å; V611-T696 HydrophobicContact CG2-CG2 3.9Å; V611-L700 HydrophobicContact CG1-CD1 3.77Å; V611-I731 HydrophobicContact CG1-CG2 3.9Å; V611-T732 PolarHBondContact N-O 3.42Å; V611-V733 CarbonylContact O-C 3.44Å; V611-V733 VanDerWaalsContact O-CA 3.3Å; V611-V733 WeakPolarHBondContact O-CA 3.3Å; V611-E734 PolarHBondContact O-N 3.29Å |
| 612 | I | 91.8 | Very high | 92.3 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 35% | 0.349 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 136.6 | 174.8 | -57.5 | 164.8 | 0 | 0 | 0 | 108.3 | E734 T736 | I612-E734 HydrophobicContact CG1-CB 4.24Å; I612-E734 WeakPolarHBondContact CG1-OE2 3.48Å; I612-T736 HydrophobicContact CG2-CG2 3.63Å |
| 613 | E | 92 | Very high | 92.1 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 178.3 | 176.7 | 72.6 | 179.3 | 176.3 | 0 | 0 | 113.8 | Q615 L700 C702 V733 E734 T736 | E613-Q615 WeakPolarHBondContact O-CG 3.38Å; E613-Q615 PolarHBondContact O-N 3.37Å; E613-L700 WeakPolarHBondContact CB-O 3.17Å; E613-C702 WeakPolarHBondContact OE2-CB 3.36Å; E613-C702 PolarHBondContact OE2-N 3.01Å; E613-V733 HydrophobicContact CB-CG1 3.57Å; E613-E734 PolarHBondContact N-O 2.9Å; E613-E734 VanDerWaalsContact N-O 3.12Å; E613-T736 HydrophobicContact CG-CG2 4.26Å; E613-T736 WeakPolarHBondContact CG-OG1 3.4Å; E613-T736 WeakPolarHBondContact OE1-CA 3.33Å; E613-T736 PolarHBondContact OE1-N 3.31Å; E613-T736 PolarHBondContact OE1-OG1 2.8Å |
| 614 | N | 88.1 | Confident | 91.9 | Very high | 54 Ų | 54 | 58.9 Ų | 58.9 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -2.1 | 178.9 | -86.4 | -61.6 | 0 | 0 | 0 | 115 | L700 D738 | N614-L700 PolarHBondContact N-O 3.18Å; N614-D738 PolarHBondContact ND2-OD2 2.88Å |
| 615 | Q | 86.6 | Confident | 92 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | trans | -93.6 | 109.7 | 179.5 | -61.9 | -169.5 | 19.2 | 0 | 0 | 112.3 | E613 A618 T696 | E613-Q615 WeakPolarHBondContact O-CG 3.38Å; E613-Q615 PolarHBondContact O-N 3.37Å; Q615-A618 HydrophobicContact CB-CB 3.82Å; Q615-T696 PolarHBondContact O-OG1 2.63Å | ||
| 616 | L | 86.6 | Confident | 92.2 | Very high | 111 Ų | 111 | 55.5 Ų | 55.5 | 58% | 0.581 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 129.3 | 171.4 | -179.6 | 63.1 | 0 | 0 | 0 | 111 | A618 | L616-A618 VanDerWaalsContact C-N 3.3Å; L616-A618 PolarHBondContact O-N 3.36Å |
| 617 | H | 88.9 | Confident | 92.3 | Very high | 106 Ų | 106 | 55.9 Ų | 55.9 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 22.4 | 177.8 | -55.1 | 152 | 0 | 0 | 0 | 116.5 | T696 I697 | H617-T696 WeakPolarHBondContact CA-O 3.4Å; H617-T696 PolarHBondContact N-OG1 3Å; H617-I697 PolarHBondContact CD2-O 2.87Å; H617-I697 PolarHBondContact NE2-O 2.96Å |
| 618 | A | 90.7 | Very high | 92.2 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 147.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | V611 Q615 L616 W695 T696 | V611-A618 HydrophobicContact CG2-CB 3.74Å; Q615-A618 HydrophobicContact CB-CB 3.82Å; L616-A618 VanDerWaalsContact C-N 3.3Å; L616-A618 PolarHBondContact O-N 3.36Å; A618-W695 CarbonylContact O-C 3.25Å; A618-W695 WeakPolarHBondContact O-CA 3.31Å; A618-W695 WeakPolarHBondContact O-CB 3.28Å; A618-T696 HydrophobicContact CB-CG2 4.48Å; A618-T696 PolarHBondContact N-OG1 2.9Å; A618-T696 VanDerWaalsContact N-OG1 3.12Å; A618-T696 PolarHBondContact O-N 3.09Å |
| 619 | E | 93.7 | Very high | 92.2 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -80.8 | 130.6 | 166 | -168.2 | 175.3 | 130.5 | 0 | 0 | 109.2 | H621 K693 W695 | E619-H621 PolarHBondContact O-N 2.62Å; E619-K693 IonicContact OE1-NZ 3.39Å; E619-K693 PolarHBondContact OE1-NZ 2.96Å; E619-K693 IonicContact OE2-NZ 3.56Å; E619-K693 PolarHBondContact OE2-NZ 2.92Å; E619-W695 PolarHBondContact OE2-NE1 3.25Å |
| 620 | V | 94.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 118.8 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | V611 M622 F685 L694 T696 I731 | V611-V620 HydrophobicContact CB-CG2 4.29Å; V620-M622 HydrophobicContact CG1-SD 3.99Å; V620-M622 PolarHBondContact O-N 3.25Å; V620-F685 HydrophobicContact CG2-CD1 3.89Å; V620-F685 HydrophobicContact CG2-CE1 3.83Å; V620-L694 HydrophobicContact CB-CB 4.24Å; V620-L694 HydrophobicContact CB-CD2 4.14Å; V620-L694 HydrophobicContact CB-CG 4.44Å; V620-L694 HydrophobicContact CG1-CD2 4.34Å; V620-L694 HydrophobicContact CG2-CB 4.45Å; V620-L694 HydrophobicContact CG2-CD2 4.01Å; V620-L694 HydrophobicContact CG2-CG 4.21Å; V620-L694 PolarHBondContact N-O 3.19Å; V620-T696 HydrophobicContact CG2-CG2 4.49Å; V620-I731 HydrophobicContact CG1-CD1 4.48Å; V620-I731 HydrophobicContact CG1-CG1 4.37Å; V620-I731 HydrophobicContact CG1-CG2 3.77Å |
| 621 | H | 94 | Very high | 92.1 | Very high | 128 Ų | 128 | 59.5 Ų | 59.5 | 59% | 0.593 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 95.4 | -177.6 | -176.6 | -96 | 0 | 0 | 0 | 110.5 | G609 Q610 E619 | G609-H621 VanDerWaalsContact CA-O 3.3Å; G609-H621 WeakPolarHBondContact CA-O 3.36Å; Q610-H621 PolarHBondContact N-O 2.97Å; Q610-H621 PolarHBondContact O-N 3.45Å; E619-H621 PolarHBondContact O-N 2.62Å |
| 622 | M | 94 | Very high | 92.1 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 14% | 0.143 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 123.9 | -179.4 | -62.6 | -54.4 | -58.3 | 0 | 0 | 111.9 | F607 T608 V620 T624 I626 I729 | F607-M622 HydrophobicContact CB-CE 3.7Å; T608-M622 WeakPolarHBondContact O-CE 3.41Å; V620-M622 HydrophobicContact CG1-SD 3.99Å; V620-M622 PolarHBondContact O-N 3.25Å; M622-T624 PolarHBondContact O-N 2.88Å; M622-I626 HydrophobicContact CE-CD1 4.15Å; M622-I626 HydrophobicContact CE-CG1 4.17Å; M622-I729 HydrophobicContact CE-CG2 3.91Å; M622-I729 HydrophobicContact SD-CG2 4.47Å |
| 623 | L | 91 | Very high | 92.1 | Very high | 102 Ų | 102 | 60.2 Ų | 60.2 | 53% | 0.534 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -64.3 | -21.6 | 179 | -71.5 | 176.5 | 0 | 0 | 0 | 113.5 | T608 | T608-L623 PolarHBondContact O-N 3.42Š|
| 624 | T | 89.7 | Confident | 92 | Very high | 45 Ų | 45 | 63 Ų | 63 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -143 | 138.6 | 158.3 | 45 | 0 | 0 | 0 | 0 | 108.9 | K604 M622 | K604-T624 WeakPolarHBondContact CE-OG1 3.48Å; K604-T624 PolarHBondContact NZ-OG1 3.02Å; M622-T624 PolarHBondContact O-N 2.88Å |
| 625 | P | 93.1 | Very high | 92.1 | Very high | 103 Ų | 103 | 64.5 Ų | 64.5 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | trans | -53.2 | 141.4 | 177.2 | -26.5 | 34.8 | 0 | 0 | 0 | 112.7 | F607 H627 | F607-P625 VanDerWaalsContact CE1-O 3.28Å; F607-P625 WeakPolarHBondContact CE1-O 3.31Å; P625-H627 PolarHBondContact O-N 2.99Å | ||
| 626 | I | 94.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.046 | 34% | 0.34 | C | S | . | . | trans | -70.6 | 116.8 | 171.8 | -65.9 | 164.1 | 0 | 0 | 0 | 107.3 | F602 F607 M622 Y641 I687 V712 I729 | F602-I626 HydrophobicContact CD1-CG2 4.5Å; F602-I626 HydrophobicContact CE1-CG2 3.89Å; F607-I626 HydrophobicContact CB-CG1 4.34Å; F607-I626 HydrophobicContact CD1-CG1 4.13Å; F607-I626 HydrophobicContact CD2-CG1 4.43Å; F607-I626 HydrophobicContact CG-CG1 4.05Å; M622-I626 HydrophobicContact CE-CD1 4.15Å; M622-I626 HydrophobicContact CE-CG1 4.17Å; I626-Y641 HydrophobicContact CG2-CD1 4.26Å; I626-Y641 HydrophobicContact CG2-CE1 4.21Å; I626-I687 HydrophobicContact CD1-CD1 4.3Å; I626-V712 HydrophobicContact CG2-CG1 4.3Å; I626-V712 HydrophobicContact CG2-CG2 4.29Å; I626-I729 HydrophobicContact CD1-CD1 3.56Å; I626-I729 HydrophobicContact CD1-CG1 4.24Å | ||
| 627 | H | 94 | Very high | 92.6 | Very high | 94 Ų | 94 | 56.9 Ų | 56.9 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | trans | -147.7 | 131.1 | -175.7 | -170.1 | -86.7 | 0 | 0 | 0 | 110.7 | T603 P625 | T603-H627 HydrophobicContact CG2-CB 4.13Å; T603-H627 WeakPolarHBondContact CG2-O 3.23Å; T603-H627 PolarHBondContact N-O 3Å; T603-H627 PolarHBondContact OG1-O 2.95Å; P625-H627 PolarHBondContact O-N 2.99Å | ||
| 628 | A | 94.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 158.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P600 I601 F602 I639 Y641 A714 | P600-A628 HydrophobicContact CB-CB 4.34Å; I601-A628 CarbonylContact O-C 3.59Å; I601-A628 WeakPolarHBondContact O-CA 3.47Å; I601-A628 WeakPolarHBondContact O-CB 3.48Å; F602-A628 HydrophobicContact CD1-CB 3.91Å; F602-A628 HydrophobicContact CE1-CB 4.24Å; F602-A628 HydrophobicContact CG-CB 4.15Å; A628-I639 HydrophobicContact CB-CD1 4.03Å; A628-I639 WeakPolarHBondContact O-CD1 3.31Å; A628-Y641 HydrophobicContact CB-CE1 4.17Å; A628-Y641 PolarHBondContact N-OH 2.89Å; A628-A714 HydrophobicContact CB-CB 3.81Å |
| 629 | T | 94.5 | Very high | 93 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.9 | 176.1 | 48.8 | 0 | 0 | 0 | 0 | 110 | I601 | I601-T629 PolarHBondContact N-O 3.09Å; I601-T629 PolarHBondContact O-N 2.97Å |
| 630 | D | 94.9 | Very high | 93 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -113.8 | 165.3 | 166.8 | -126.7 | -45.7 | 0 | 0 | 0 | 111.1 | H598 K599 P600 A637 I639 | H598-D630 VanDerWaalsContact CB-OD1 3.27Å; H598-D630 WeakPolarHBondContact CB-OD1 3.42Å; K599-D630 PolarHBondContact N-OD1 2.96Å; P600-D630 WeakPolarHBondContact CA-OD2 3.43Å; P600-D630 WeakPolarHBondContact CD-OD2 3.18Å; P600-D630 WeakPolarHBondContact CG-OD2 3Å; D630-A637 HydrophobicContact CB-CB 3.74Å; D630-I639 HydrophobicContact CB-CD1 4.4Å | ||
| 631 | L | 93.4 | Very high | 93.1 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 51% | 0.508 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -107.4 | -23.1 | -179.2 | -60.6 | -179.4 | 0 | 0 | 0 | 113.4 | R561 E562 H598 | R561-L631 PolarHBondContact NH2-O 3.08Å; E562-L631 HydrophobicContact CG-CB 3.72Å; E562-L631 VanDerWaalsContact OE1-O 3.07Å; H598-L631 HydrophobicContact CB-CB 4.11Å |
| 632 | D | 93.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.032 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -65.6 | -175.4 | 175.8 | -56.5 | -10.8 | 0 | 0 | 0 | 111.6 | R561 N596 E597 H598 N636 A637 | R561-D632 VanDerWaalsContact NH2-CA 3.34Å; N596-D632 VanDerWaalsContact CA-OD2 3.26Å; N596-D632 WeakPolarHBondContact CA-OD2 3.46Å; E597-D632 PolarHBondContact N-OD2 3.03Å; H598-D632 WeakPolarHBondContact CB-OD1 3.19Å; H598-D632 IonicContact CG-OD1 3.68Å; H598-D632 PolarHBondContact N-OD1 2.94Å; H598-D632 PolarHBondContact N-OD2 3.33Å; H598-D632 VanDerWaalsContact N-OD2 3.09Å; H598-D632 IonicContact ND1-OD1 3.56Å; H598-D632 PolarHBondContact ND1-OD1 2.78Å; D632-N636 HydrophobicContact CB-CB 3.6Å; D632-A637 WeakPolarHBondContact O-CB 3.21Å |
| 633 | V | 91.2 | Very high | 93 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | trans | -123.8 | 145.1 | -172.7 | 147 | 0 | 0 | 0 | 0 | 114.7 | D594 V635 N636 | D594-V633 HydrophobicContact CB-CB 4.4Å; D594-V633 VanDerWaalsContact CG-N 3.35Å; D594-V633 WeakPolarHBondContact OD1-CB 3.25Å; D594-V633 PolarHBondContact OD1-N 2.82Å; D594-V633 PolarHBondContact OD2-N 2.9Å; D594-V633 VanDerWaalsContact OD2-O 3.07Å; V633-V635 PolarHBondContact O-N 3.43Å; V633-N636 PolarHBondContact O-N 3Å | ||
| 634 | G | 90.7 | Very high | 92.6 | Very high | 60 Ų | 60 | 49 Ų | 49 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -106.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L638 | G634-L638 PolarHBondContact O-N 3.11Š|
| 635 | V | 90.8 | Very high | 91.5 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -29.9 | 178.8 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | V633 A637 L638 S717 | V633-V635 PolarHBondContact O-N 3.43Å; V635-A637 VanDerWaalsContact C-N 3.26Å; V635-A637 PolarHBondContact O-N 3.19Å; V635-L638 WeakPolarHBondContact O-CB 3.23Å; V635-L638 PolarHBondContact O-N 2.72Å; V635-L638 VanDerWaalsContact O-N 3.09Å; V635-S717 CarbonylContact O-C 3.58Å; V635-S717 WeakPolarHBondContact O-CA 3.33Å; V635-S717 WeakPolarHBondContact O-CB 3.14Å; V635-S717 PolarHBondContact O-N 2.94Å |
| 636 | N | 91.2 | Very high | 90 | Very high | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -25.8 | 178.8 | -66.9 | -10.7 | 0 | 0 | 0 | 111.6 | D594 N596 D632 V633 D716 G718 S719 | D594-N636 WeakPolarHBondContact OD2-CB 3.49Å; D594-N636 PolarHBondContact OD2-ND2 2.91Å; N596-N636 HydrophobicContact CB-CB 4.12Å; N596-N636 WeakPolarHBondContact OD1-CA 3.43Å; N596-N636 WeakPolarHBondContact OD1-CB 2.98Å; N596-N636 VanDerWaalsContact OD1-CG 3.32Å; N596-N636 PolarHBondContact OD1-O 3.45Å; N596-N636 PolarHBondContact OD1-OD1 3.22Å; D632-N636 HydrophobicContact CB-CB 3.6Å; V633-N636 PolarHBondContact O-N 3Å; N636-D716 WeakPolarHBondContact O-CB 3.17Å; N636-G718 WeakPolarHBondContact OD1-CA 3.38Å; N636-S719 PolarHBondContact OD1-N 2.82Å |
| 637 | A | 92.2 | Very high | 88.1 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 26% | 0.256 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 10.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D630 D632 V635 I639 | D630-A637 HydrophobicContact CB-CB 3.74Å; D632-A637 WeakPolarHBondContact O-CB 3.21Å; V635-A637 VanDerWaalsContact C-N 3.26Å; V635-A637 PolarHBondContact O-N 3.19Å; A637-I639 PolarHBondContact O-N 2.74Å |
| 638 | L | 93.3 | Very high | 86.2 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | trans | -82.6 | 83.8 | -179.8 | -175.8 | 59.8 | 0 | 0 | 0 | 111 | G634 V635 D716 S717 | G634-L638 PolarHBondContact O-N 3.11Å; V635-L638 WeakPolarHBondContact O-CB 3.23Å; V635-L638 PolarHBondContact O-N 2.72Å; V635-L638 VanDerWaalsContact O-N 3.09Å; L638-D716 CarbonylContact O-C 3.58Å; L638-D716 WeakPolarHBondContact O-CA 3.36Å; L638-S717 PolarHBondContact O-N 3.06Å; L638-S717 PolarHBondContact O-OG 3.2Å | ||
| 639 | I | 94.2 | Very high | 84.1 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | trans | -65.5 | 135.3 | -179.7 | -59.1 | 172.8 | 0 | 0 | 0 | 111.6 | P600 A628 D630 A637 Y641 A714 R715 | P600-I639 HydrophobicContact CB-CD1 4.01Å; P600-I639 HydrophobicContact CB-CG1 4.04Å; P600-I639 HydrophobicContact CG-CG1 4.08Å; A628-I639 HydrophobicContact CB-CD1 4.03Å; A628-I639 WeakPolarHBondContact O-CD1 3.31Å; D630-I639 HydrophobicContact CB-CD1 4.4Å; A637-I639 PolarHBondContact O-N 2.74Å; I639-Y641 HydrophobicContact CG2-CD1 4.49Å; I639-Y641 HydrophobicContact CG2-CE1 4.05Å; I639-Y641 HydrophobicContact CG2-CE2 4.27Å; I639-A714 HydrophobicContact CG2-CB 3.88Å; I639-R715 CarbonylContact C-O 3.58Å | ||
| 640 | T | 94.6 | Very high | 81.8 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.3 | 166.5 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | P689 A714 R715 | T640-P689 CarbonylContact C-O 3.58Å; T640-P689 WeakPolarHBondContact CA-O 3.27Å; T640-A714 WeakPolarHBondContact O-CA 3.26Å; T640-R715 PolarHBondContact N-O 2.92Å; T640-R715 PolarHBondContact O-N 3.4Å; T640-R715 PolarHBondContact OG1-O 2.84Å |
| 641 | Y | 95.8 | Very high | 79.3 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 8% | 0.078 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 143 | 178.4 | -59.8 | -76.3 | 0 | 0 | 0 | 112 | F602 I626 A628 I639 P689 V712 I713 A714 | F602-Y641 HydrophobicContact CE1-CD1 4.15Å; F602-Y641 AromaticContact CE1-CE1 3.87Å; F602-Y641 HydrophobicContact CE1-CE1 3.87Å; F602-Y641 HydrophobicContact CZ-CD1 4.37Å; F602-Y641 HydrophobicContact CZ-CE1 4.41Å; I626-Y641 HydrophobicContact CG2-CD1 4.26Å; I626-Y641 HydrophobicContact CG2-CE1 4.21Å; A628-Y641 HydrophobicContact CB-CE1 4.17Å; A628-Y641 PolarHBondContact N-OH 2.89Å; I639-Y641 HydrophobicContact CG2-CD1 4.49Å; I639-Y641 HydrophobicContact CG2-CE1 4.05Å; I639-Y641 HydrophobicContact CG2-CE2 4.27Å; Y641-P689 PolarHBondContact N-O 2.95Å; Y641-P689 WeakPolarHBondContact O-CA 3.2Å; Y641-V712 HydrophobicContact CD1-CG2 4.3Å; Y641-I713 WeakPolarHBondContact CA-O 3.34Å; Y641-A714 HydrophobicContact CD1-CB 4.15Å; Y641-A714 HydrophobicContact CE1-CB 4.05Å |
| 642 | S | 93.9 | Very high | 76.8 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153.6 | 175 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | V712 I713 | S642-V712 CarbonylContact O-C 3.19Å; S642-V712 WeakPolarHBondContact O-CA 3.44Å; S642-V712 WeakPolarHBondContact O-CG2 3.36Å; S642-I713 PolarHBondContact N-O 3.01Å; S642-I713 PolarHBondContact O-N 3.11Å |
| 643 | L | 91.7 | Very high | 74.1 | Confident | 30 Ų | 30 | 65 Ų | 65 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135 | 171.9 | -61 | 174.4 | 0 | 0 | 0 | 109.5 | T682 F685 I687 L694 L710 V711 V712 I729 | L643-T682 HydrophobicContact CB-CG2 3.9Å; L643-F685 HydrophobicContact CD1-CB 4.14Å; L643-F685 WeakPolarHBondContact CD1-O 3.11Å; L643-I687 HydrophobicContact CD1-CB 4.15Å; L643-I687 HydrophobicContact CD1-CG2 4.45Å; L643-I687 HydrophobicContact CD2-CB 4.19Å; L643-I687 HydrophobicContact CD2-CD1 4.13Å; L643-I687 HydrophobicContact CD2-CG2 4.4Å; L643-I687 HydrophobicContact CG-CB 3.87Å; L643-I687 HydrophobicContact CG-CG2 3.82Å; L643-L694 HydrophobicContact CD1-CD1 3.77Å; L643-L694 HydrophobicContact CD2-CD1 4.01Å; L643-L694 HydrophobicContact CG-CD1 4.37Å; L643-L710 HydrophobicContact CD1-CD1 4.25Å; L643-L710 HydrophobicContact CD2-CB 4.43Å; L643-L710 HydrophobicContact CD2-CD1 4.07Å; L643-V711 WeakPolarHBondContact CA-O 3.27Å; L643-V712 HydrophobicContact CD2-CB 4.38Å; L643-I729 HydrophobicContact CD2-CD1 4.17Å |
| 644 | V | 82.4 | Confident | 71.1 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 17% | 0.17 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.4 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | E648 L649 V711 I713 | V644-E648 HydrophobicContact CG1-CB 3.75Å; V644-L649 HydrophobicContact CG1-CD1 4.44Å; V644-V711 PolarHBondContact N-O 3.14Å; V644-V711 PolarHBondContact O-N 2.72Å; V644-I713 HydrophobicContact CB-CD1 4.01Å; V644-I713 HydrophobicContact CB-CG1 4.33Å; V644-I713 HydrophobicContact CG1-CD1 4.45Å; V644-I713 HydrophobicContact CG2-CD1 3.53Å; V644-I713 HydrophobicContact CG2-CG1 4Å |
| 645 | N | 67.2 | Low | 68.4 | Low | 18 Ų | 18 | 69 Ų | 69 | 10% | 0.096 | 39% | 0.388 | C | S | . | . | trans | -68.7 | 133.1 | 175.1 | -179.7 | -4.1 | 0 | 0 | 0 | 108.5 | Y647 E648 N680 T682 | N645-Y647 PolarHBondContact O-N 3.09Å; N645-Y647 PolarHBondContact OD1-N 3.21Å; N645-E648 HydrophobicContact CB-CG 4.09Å; N645-E648 WeakPolarHBondContact CB-OE2 3.21Å; N645-E648 PolarHBondContact N-OE2 3.24Å; N645-E648 PolarHBondContact O-N 3.36Å; N645-N680 WeakPolarHBondContact CB-OD1 3.11Å; N645-N680 VanDerWaalsContact CG-OD1 3.31Å; N645-N680 PolarHBondContact ND2-OD1 3.14Å; N645-T682 HydrophobicContact CB-CG2 4.4Å | ||
| 646 | P | 62 | Low | 65.5 | Low | 47 Ų | 47 | 70.9 Ų | 70.9 | 31% | 0.305 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | -28.5 | 173.6 | -31.9 | 31.5 | 0 | 0 | 0 | 115.7 | V711 | P646-V711 HydrophobicContact CB-CG2 4.5Å; P646-V711 HydrophobicContact CG-CG2 4.1Å |
| 647 | Y | 54.4 | Low | 62.6 | Low | 125 Ų | 125 | 75.9 Ų | 75.9 | 49% | 0.49 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -36.9 | 177.4 | -76.6 | -101.9 | 0 | 0 | 0 | 114.2 | N645 L649 S650 F678 | N645-Y647 PolarHBondContact O-N 3.09Å; N645-Y647 PolarHBondContact OD1-N 3.21Å; Y647-L649 VanDerWaalsContact C-N 3.31Å; Y647-L649 PolarHBondContact O-N 3.37Å; Y647-S650 WeakPolarHBondContact O-CB 2.97Å; Y647-S650 PolarHBondContact O-N 2.78Å; Y647-S650 PolarHBondContact O-OG 2.68Å; Y647-F678 HydrophobicContact CD2-CB 4.2Å; Y647-F678 HydrophobicContact CE2-CB 3.28Å; Y647-F678 HydrophobicContact CE2-CD1 4.21Å; Y647-F678 HydrophobicContact CE2-CD2 4.07Å; Y647-F678 AromaticContact CE2-CG 3.63Å; Y647-F678 HydrophobicContact CE2-CG 3.63Å; Y647-F678 WeakPolarHBondContact OH-CD2 2.97Å |
| 648 | E | 52.6 | Low | 59.8 | Low | 98 Ų | 98 | 81.1 Ų | 81.1 | 46% | 0.458 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -70.3 | -30.8 | -177.1 | -68.4 | 167.9 | 146.9 | 0 | 0 | 111.6 | V644 N645 S650 S651 | V644-E648 HydrophobicContact CG1-CB 3.75Å; N645-E648 HydrophobicContact CB-CG 4.09Å; N645-E648 WeakPolarHBondContact CB-OE2 3.21Å; N645-E648 PolarHBondContact N-OE2 3.24Å; N645-E648 PolarHBondContact O-N 3.36Å; E648-S650 PolarHBondContact O-N 2.86Å; E648-S650 VanDerWaalsContact O-N 3.12Å; E648-S651 PolarHBondContact O-N 3.18Å; E648-S651 PolarHBondContact O-OG 3.1Å |
| 649 | L | 52.2 | Low | 56.9 | Low | 50 Ų | 50 | 82.3 Ų | 82.3 | 26% | 0.262 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -58.4 | -25.8 | 177.2 | -150.2 | 74.4 | 0 | 0 | 0 | 112.8 | V644 Y647 S651 V711 I713 | V644-L649 HydrophobicContact CG1-CD1 4.44Å; Y647-L649 VanDerWaalsContact C-N 3.31Å; Y647-L649 PolarHBondContact O-N 3.37Å; L649-S651 PolarHBondContact O-N 3.41Å; L649-V711 HydrophobicContact CD2-CG1 4.46Å; L649-I713 HydrophobicContact CD1-CD1 3.84Å |
| 650 | S | 46.1 | Very low | 54 | Low | 106 Ų | 106 | 86.1 Ų | 86.1 | 74% | 0.741 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -67.4 | -9.7 | 176 | 72.7 | 0 | 0 | 0 | 0 | 114.7 | Y647 E648 | Y647-S650 WeakPolarHBondContact O-CB 2.97Å; Y647-S650 PolarHBondContact O-N 2.78Å; Y647-S650 PolarHBondContact O-OG 2.68Å; E648-S650 PolarHBondContact O-N 2.86Å; E648-S650 VanDerWaalsContact O-N 3.12Å |
| 651 | S | 42.5 | Very low | 51.2 | Low | 88 Ų | 88 | 91.7 Ų | 91.7 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -106 | -8.2 | -177 | 70.6 | 0 | 0 | 0 | 0 | 115.2 | E648 L649 | E648-S651 PolarHBondContact O-N 3.18Å; E648-S651 PolarHBondContact O-OG 3.1Å; L649-S651 PolarHBondContact O-N 3.41Å |
| 652 | M | 40.1 | Very low | 48.2 | Very low | 150 Ų | 150 | 97.4 Ų | 97.4 | 74% | 0.739 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -6.7 | -165.1 | -73.9 | -89.3 | 75.8 | 0 | 0 | 115.9 | ||
| 653 | Q | 36.2 | Very low | 45.2 | Very low | 108 Ų | 108 | 101.8 Ų | 101.8 | 51% | 0.505 | 59% | 0.592 | S | S | . | * | trans | -140.8 | 135.6 | -178.6 | -69.3 | -174.5 | -3.7 | 0 | 0 | 113.1 | V655 | Q653-V655 HydrophobicContact CB-CG2 3.53Å; Q653-V655 PolarHBondContact O-N 2.95Å | ||
| 654 | T | 29.2 | Very low | 42.4 | Very low | 149 Ų | 149 | 104.8 Ų | 104.8 | 91% | 0.914 | 62% | 0.621 | S | S | * | * | trans | -76.4 | 70.5 | 166.7 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | T656 | T654-T656 PolarHBondContact O-N 3.13Å; T654-T656 VanDerWaalsContact O-N 3.1Å | ||
| 655 | V | 33.5 | Very low | 40.1 | Very low | 77 Ų | 77 | 108.8 Ų | 108.8 | 47% | 0.467 | 65% | 0.65 | S | S | . | * | trans | -77.6 | 94.5 | -176.8 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | Q653 I658 | Q653-V655 HydrophobicContact CB-CG2 3.53Å; Q653-V655 PolarHBondContact O-N 2.95Å; V655-I658 HydrophobicContact CG1-CG1 4.21Å | ||
| 656 | T | 30.7 | Very low | 38.7 | Very low | 126 Ų | 126 | 114 Ų | 114 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -60.6 | 142.3 | 154.7 | 36.4 | 0 | 0 | 0 | 0 | 110.3 | T654 | T654-T656 PolarHBondContact O-N 3.13Å; T654-T656 VanDerWaalsContact O-N 3.1Å | ||
| 657 | S | 31 | Very low | 37.4 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | trans | 81.5 | 41.9 | 176.6 | 72.6 | 0 | 0 | 0 | 0 | 119.3 | S659 | S657-S659 PolarHBondContact O-N 2.75Š| ||
| 658 | I | 31.9 | Very low | 36.5 | Very low | 142 Ų | 142 | 117.5 Ų | 117.5 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | trans | -81.9 | 87.8 | 156.1 | -53.1 | 173 | 0 | 0 | 0 | 109.6 | V655 | V655-I658 HydrophobicContact CG1-CG1 4.21Š| ||
| 659 | S | 32 | Very low | 35.7 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | -163.6 | 34.1 | 176 | -83.2 | 0 | 0 | 0 | 0 | 117 | S657 | S657-S659 PolarHBondContact O-N 2.75Š| ||
| 660 | S | 33.2 | Very low | 34.9 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -156.4 | 70.9 | 178.5 | 62.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 661 | L | 36 | Very low | 34.4 | Very low | 172 Ų | 172 | 120.9 Ų | 120.9 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -164 | 11.9 | 159.3 | -112.9 | 157.2 | 0 | 0 | 0 | 116.3 | ||
| 662 | V | 33.8 | Very low | 33.8 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -124.1 | 80.1 | -178.6 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 663 | T | 31 | Very low | 33.3 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -157.8 | 143.6 | 166.9 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 664 | A | 31.6 | Very low | 33.2 | Very low | 93 Ų | 93 | 119.9 Ų | 119.9 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | cis | -174.2 | 105.4 | -23.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 665 | S | 34.8 | Very low | 33.3 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -170.6 | 132.1 | 164.3 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 666 | T | 37.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | cis | -154.9 | 136.1 | -13.3 | 14.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 667 | P | 33.8 | Very low | 33.7 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -93.5 | 127.1 | -166.1 | 34.1 | -34.4 | 0 | 0 | 0 | 115.3 | ||||
| 668 | S | 36.8 | Very low | 34.3 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -164.3 | 137.7 | 158.7 | 56.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 669 | S | 36.3 | Very low | 35.4 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | cis | -170.7 | 131.6 | -13.8 | 45.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 670 | S | 34.9 | Very low | 37 | Very low | 126 Ų | 126 | 115.7 Ų | 115.7 | 88% | 0.881 | 73% | 0.731 | S | S | * | * | trans | 62.3 | 147.5 | -167.9 | 74.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 671 | S | 35 | Very low | 38.9 | Very low | 100 Ų | 100 | 110.7 Ų | 110.7 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | cis | -145.7 | 147.6 | 9.9 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 672 | S | 30.8 | Very low | 40.8 | Very low | 100 Ų | 100 | 103.8 Ų | 103.8 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | trans | 41.8 | 116.9 | 152.5 | 54.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 673 | S | 29.4 | Very low | 43.2 | Very low | 117 Ų | 117 | 99.7 Ų | 99.7 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | trans | 56.3 | 97.4 | 148.4 | 60.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 674 | S | 33.7 | Very low | 46 | Very low | 108 Ų | 108 | 94.6 Ų | 94.6 | 76% | 0.755 | 61% | 0.608 | S | S | * | * | trans | -134.8 | 89.3 | 141.3 | 50.4 | 0 | 0 | 0 | 0 | 110 | V676 | S674-V676 PolarHBondContact O-N 3.18Š| ||
| 675 | L | 30.7 | Very low | 49 | Very low | 163 Ų | 163 | 90.4 Ų | 90.4 | 85% | 0.853 | 57% | 0.572 | S | S | * | * | trans | -63.1 | 113.4 | 153.5 | -77.2 | 169.1 | 0 | 0 | 0 | 105.5 | N677 | L675-N677 PolarHBondContact O-N 2.81Š| ||
| 676 | V | 39.3 | Very low | 51.7 | Low | 99 Ų | 99 | 89.4 Ų | 89.4 | 60% | 0.6 | 55% | 0.552 | S | S | * | * | trans | -67.1 | 102.4 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 107.2 | S674 F678 | S674-V676 PolarHBondContact O-N 3.18Å; V676-F678 HydrophobicContact CB-CD2 3.94Å; V676-F678 HydrophobicContact CB-CE2 3.85Å; V676-F678 HydrophobicContact CG1-CD2 3.54Å; V676-F678 HydrophobicContact CG1-CE2 3.46Å; V676-F678 VanDerWaalsContact CG1-CE2 3.46Å; V676-F678 HydrophobicContact CG1-CG 4.36Å; V676-F678 HydrophobicContact CG1-CZ 4.22Å; V676-F678 WeakPolarHBondContact O-CD2 3.36Å; V676-F678 PolarHBondContact O-N 3.37Å | ||
| 677 | N | 33.6 | Very low | 54.5 | Low | 142 Ų | 142 | 84.5 Ų | 84.5 | 76% | 0.759 | 52% | 0.52 | S | S | * | . | trans | -68.9 | 83.8 | 172.3 | -79.1 | -21.2 | 0 | 0 | 0 | 108.1 | L675 V679 | L675-N677 PolarHBondContact O-N 2.81Å; N677-V679 PolarHBondContact O-N 3.31Å | ||
| 678 | F | 44.6 | Very low | 57.3 | Low | 89 Ų | 89 | 79.9 Ų | 79.9 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | trans | -66.1 | 81.2 | 166.9 | -82.7 | -94.6 | 0 | 0 | 0 | 108.9 | Y647 V676 N680 | Y647-F678 HydrophobicContact CD2-CB 4.2Å; Y647-F678 HydrophobicContact CE2-CB 3.28Å; Y647-F678 HydrophobicContact CE2-CD1 4.21Å; Y647-F678 HydrophobicContact CE2-CD2 4.07Å; Y647-F678 AromaticContact CE2-CG 3.63Å; Y647-F678 HydrophobicContact CE2-CG 3.63Å; Y647-F678 WeakPolarHBondContact OH-CD2 2.97Å; V676-F678 HydrophobicContact CB-CD2 3.94Å; V676-F678 HydrophobicContact CB-CE2 3.85Å; V676-F678 HydrophobicContact CG1-CD2 3.54Å; V676-F678 HydrophobicContact CG1-CE2 3.46Å; V676-F678 VanDerWaalsContact CG1-CE2 3.46Å; V676-F678 HydrophobicContact CG1-CG 4.36Å; V676-F678 HydrophobicContact CG1-CZ 4.22Å; V676-F678 WeakPolarHBondContact O-CD2 3.36Å; V676-F678 PolarHBondContact O-N 3.37Å; F678-N680 PolarHBondContact O-N 3.33Å | ||
| 679 | V | 53.7 | Low | 60 | Low | 84 Ų | 84 | 77.9 Ų | 77.9 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | trans | -56 | 134.8 | 173.9 | -175 | 0 | 0 | 0 | 0 | 108.3 | N677 S681 F684 | N677-V679 PolarHBondContact O-N 3.31Å; V679-S681 PolarHBondContact O-N 3.41Å; V679-S681 PolarHBondContact O-OG 3.33Å; V679-F684 HydrophobicContact CG1-CE2 3.99Å; V679-F684 HydrophobicContact CG1-CZ 4.28Å | ||
| 680 | N | 66.2 | Low | 62.7 | Low | 64 Ų | 64 | 79.8 Ų | 79.8 | 34% | 0.342 | 47% | 0.474 | S | S | . | . | trans | -54.4 | 98.5 | -173.4 | -177.1 | 17.1 | 0 | 0 | 0 | 111.2 | N645 F678 T682 A683 | N645-N680 WeakPolarHBondContact CB-OD1 3.11Å; N645-N680 VanDerWaalsContact CG-OD1 3.31Å; N645-N680 PolarHBondContact ND2-OD1 3.14Å; F678-N680 PolarHBondContact O-N 3.33Å; N680-T682 VanDerWaalsContact C-N 3.26Å; N680-T682 PolarHBondContact O-N 2.81Å; N680-T682 PolarHBondContact OD1-OG1 3.05Å; N680-A683 WeakPolarHBondContact O-CB 3.41Å; N680-A683 PolarHBondContact O-N 3.21Å; N680-A683 VanDerWaalsContact O-N 3.15Å | ||
| 681 | S | 73 | Confident | 65.5 | Low | 4 Ų | 4 | 77.4 Ų | 77.4 | 3% | 0.028 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -75.9 | -19.5 | -164.6 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | V679 A683 F684 F685 R705 H709 L710 | V679-S681 PolarHBondContact O-N 3.41Å; V679-S681 PolarHBondContact O-OG 3.33Å; S681-A683 PolarHBondContact O-N 3.16Å; S681-F684 PolarHBondContact O-N 3.48Å; S681-F685 WeakPolarHBondContact O-CD2 3Å; S681-R705 PolarHBondContact OG-NH1 3.17Å; S681-R705 PolarHBondContact OG-NH2 2.88Å; S681-H709 WeakPolarHBondContact CB-O 3.48Å; S681-L710 VanDerWaalsContact C-CD2 3.44Å; S681-L710 WeakPolarHBondContact O-CD2 3.28Å |
| 682 | T | 76.9 | Confident | 68.2 | Low | 27 Ų | 27 | 72.8 Ų | 72.8 | 17% | 0.166 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -69.4 | -16.4 | 172.8 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | L643 N645 N680 F684 L710 | L643-T682 HydrophobicContact CB-CG2 3.9Å; N645-T682 HydrophobicContact CB-CG2 4.4Å; N680-T682 VanDerWaalsContact C-N 3.26Å; N680-T682 PolarHBondContact O-N 2.81Å; N680-T682 PolarHBondContact OD1-OG1 3.05Å; T682-F684 PolarHBondContact O-N 2.55Å; T682-L710 HydrophobicContact CG2-CD2 4.3Å |
| 683 | A | 83.2 | Confident | 71.3 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -67.8 | -19.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N680 S681 | N680-A683 WeakPolarHBondContact O-CB 3.41Å; N680-A683 PolarHBondContact O-N 3.21Å; N680-A683 VanDerWaalsContact O-N 3.15Å; S681-A683 PolarHBondContact O-N 3.16Å |
| 684 | F | 90.4 | Very high | 74.4 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 14% | 0.14 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -96 | -15.1 | -176.2 | -62.5 | -96.8 | 0 | 0 | 0 | 113.3 | V679 S681 T682 T696 I697 Q698 L700 Y708 | V679-F684 HydrophobicContact CG1-CE2 3.99Å; V679-F684 HydrophobicContact CG1-CZ 4.28Å; S681-F684 PolarHBondContact O-N 3.48Å; T682-F684 PolarHBondContact O-N 2.55Å; F684-T696 CarbonylContact O-C 3.59Å; F684-T696 WeakPolarHBondContact O-CA 3.01Å; F684-I697 PolarHBondContact O-N 2.94Å; F684-Q698 HydrophobicContact CD1-CG 3.97Å; F684-L700 HydrophobicContact CB-CD2 4.15Å; F684-L700 HydrophobicContact CD1-CD2 3.84Å; F684-L700 HydrophobicContact CG-CD2 4.43Å; F684-Y708 HydrophobicContact CB-CE1 4.13Å; F684-Y708 AromaticContact CD1-CE1 3.91Å; F684-Y708 HydrophobicContact CD1-CE1 3.91Å; F684-Y708 HydrophobicContact CD2-CD1 4.43Å; F684-Y708 AromaticContact CD2-CE1 3.84Å; F684-Y708 HydrophobicContact CD2-CE1 3.84Å; F684-Y708 HydrophobicContact CE1-CE1 4.26Å; F684-Y708 HydrophobicContact CE2-CE1 4.21Å; F684-Y708 HydrophobicContact CG-CD1 4.43Å; F684-Y708 AromaticContact CG-CE1 3.68Å; F684-Y708 HydrophobicContact CG-CE1 3.68Å; F684-Y708 HydrophobicContact CZ-CE1 4.41Å |
| 685 | F | 93.1 | Very high | 77.3 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.1 | -172.8 | -57.2 | -88.6 | 0 | 0 | 0 | 112.7 | V620 L643 S681 L694 W695 T696 I697 L700 Y708 L710 I731 | V620-F685 HydrophobicContact CG2-CD1 3.89Å; V620-F685 HydrophobicContact CG2-CE1 3.83Å; L643-F685 HydrophobicContact CD1-CB 4.14Å; L643-F685 WeakPolarHBondContact CD1-O 3.11Å; S681-F685 WeakPolarHBondContact O-CD2 3Å; F685-L694 HydrophobicContact CB-CD1 4.14Å; F685-L694 HydrophobicContact CB-CG 4.34Å; F685-L694 HydrophobicContact CD1-CD2 4.21Å; F685-L694 HydrophobicContact CD1-CG 4.42Å; F685-W695 CarbonylContact C-O 3.58Å; F685-W695 VanDerWaalsContact CA-O 3.27Å; F685-W695 WeakPolarHBondContact CA-O 3.1Å; F685-T696 HydrophobicContact CD1-CG2 4.25Å; F685-T696 HydrophobicContact CE1-CG2 3.96Å; F685-I697 WeakPolarHBondContact O-CD1 3.49Å; F685-L700 HydrophobicContact CE1-CD1 3.91Å; F685-L700 HydrophobicContact CZ-CD1 3.61Å; F685-Y708 AromaticContact CE2-CD1 3.68Å; F685-Y708 HydrophobicContact CE2-CD1 3.68Å; F685-Y708 HydrophobicContact CE2-CD2 4.28Å; F685-Y708 HydrophobicContact CE2-CE1 4.32Å; F685-Y708 AromaticContact CE2-CG 3.64Å; F685-Y708 HydrophobicContact CE2-CG 3.64Å; F685-Y708 HydrophobicContact CZ-CD1 4.35Å; F685-Y708 HydrophobicContact CZ-CD2 4.16Å; F685-Y708 AromaticContact CZ-CG 3.96Å; F685-Y708 HydrophobicContact CZ-CG 3.96Å; F685-L710 HydrophobicContact CB-CD1 4.04Å; F685-L710 HydrophobicContact CD2-CD1 3.9Å; F685-L710 HydrophobicContact CD2-CD2 4.11Å; F685-L710 HydrophobicContact CD2-CG 4.44Å; F685-L710 HydrophobicContact CG-CD1 4.04Å; F685-I731 HydrophobicContact CD1-CD1 3.83Å; F685-I731 HydrophobicContact CD2-CD1 4.17Å; F685-I731 HydrophobicContact CE1-CD1 3.54Å; F685-I731 HydrophobicContact CE1-CG2 4.15Å; F685-I731 HydrophobicContact CE2-CD1 3.92Å; F685-I731 HydrophobicContact CG-CD1 4.14Å; F685-I731 HydrophobicContact CZ-CB 4.39Å; F685-I731 HydrophobicContact CZ-CD1 3.59Å; F685-I731 HydrophobicContact CZ-CG2 4.13Å |
| 686 | R | 93.3 | Very high | 80.3 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 35% | 0.347 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.1 | 169 | 61.4 | 175 | -175.3 | -73.5 | -11.6 | 110 | L694 W695 T696 I697 | R686-L694 WeakPolarHBondContact O-CA 3.11Å; R686-L694 WeakPolarHBondContact O-CD1 3.26Å; R686-W695 HydrophobicContact CG-CB 4.11Å; R686-W695 HydrophobicContact CG-CE3 4.23Å; R686-W695 VanDerWaalsContact CZ-CB 3.48Å; R686-W695 PolarHBondContact N-O 2.76Å; R686-W695 PolarHBondContact O-N 3.07Å; R686-T696 PolarHBondContact NH1-O 2.92Å; R686-I697 HydrophobicContact CB-CD1 4.22Å; R686-I697 HydrophobicContact CB-CG1 4.17Å; R686-I697 HydrophobicContact CG-CG1 4.3Å |
| 687 | I | 95.2 | Very high | 82.7 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 148.2 | 173.2 | -158 | 169.7 | 0 | 0 | 0 | 110.6 | I626 L643 K693 L694 V712 | I626-I687 HydrophobicContact CD1-CD1 4.3Å; L643-I687 HydrophobicContact CD1-CB 4.15Å; L643-I687 HydrophobicContact CD1-CG2 4.45Å; L643-I687 HydrophobicContact CD2-CB 4.19Å; L643-I687 HydrophobicContact CD2-CD1 4.13Å; L643-I687 HydrophobicContact CD2-CG2 4.4Å; L643-I687 HydrophobicContact CG-CB 3.87Å; L643-I687 HydrophobicContact CG-CG2 3.82Å; I687-K693 CarbonylContact C-O 3.58Å; I687-K693 VanDerWaalsContact CA-O 3.3Å; I687-K693 WeakPolarHBondContact CA-O 3.11Å; I687-K693 WeakPolarHBondContact CG1-O 3.2Å; I687-L694 HydrophobicContact CB-CD1 3.9Å; I687-L694 HydrophobicContact CD1-CD1 4.5Å; I687-L694 HydrophobicContact CG1-CD1 4.13Å; I687-V712 HydrophobicContact CD1-CG2 3.64Å |
| 688 | D | 93.7 | Very high | 85.3 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 19% | 0.187 | 28% | 0.275 | C | S | . | . | trans | -73.8 | 120.2 | 165.1 | -170.6 | -40.1 | 0 | 0 | 0 | 109.4 | I690 T691 G692 K693 W695 | D688-I690 PolarHBondContact O-N 3.05Å; D688-I690 WeakPolarHBondContact OD1-CA 3.31Å; D688-I690 PolarHBondContact OD1-N 3.25Å; D688-T691 VanDerWaalsContact CB-OG1 3.23Å; D688-T691 WeakPolarHBondContact CB-OG1 3.47Å; D688-T691 VanDerWaalsContact CG-N 3.34Å; D688-T691 PolarHBondContact OD1-N 3Å; D688-T691 WeakPolarHBondContact OD2-CB 3.45Å; D688-T691 WeakPolarHBondContact OD2-CG2 3.44Å; D688-T691 PolarHBondContact OD2-OG1 3.03Å; D688-G692 WeakPolarHBondContact O-CA 3.15Å; D688-G692 PolarHBondContact O-N 3.28Å; D688-K693 HydrophobicContact CB-CB 4.25Å; D688-K693 PolarHBondContact N-O 2.86Å; D688-W695 HydrophobicContact CB-CH2 3.9Å; D688-W695 HydrophobicContact CB-CZ3 3.76Å | ||
| 689 | P | 93.9 | Very high | 87.4 | Confident | 70 Ų | 70 | 51 Ų | 51 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14 | -178.3 | 29.3 | -35.4 | 0 | 0 | 0 | 113.8 | T640 Y641 | T640-P689 CarbonylContact C-O 3.58Å; T640-P689 WeakPolarHBondContact CA-O 3.27Å; Y641-P689 PolarHBondContact N-O 2.95Å; Y641-P689 WeakPolarHBondContact O-CA 3.2Å |
| 690 | I | 92.6 | Very high | 89.2 | Confident | 139 Ų | 139 | 47.2 Ų | 47.2 | 71% | 0.713 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -48.9 | 178.9 | -57.2 | 174.4 | 0 | 0 | 0 | 110.5 | D688 | D688-I690 PolarHBondContact O-N 3.05Å; D688-I690 WeakPolarHBondContact OD1-CA 3.31Å; D688-I690 PolarHBondContact OD1-N 3.25Å |
| 691 | T | 92.9 | Very high | 90.4 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 47% | 0.466 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -9.3 | -172.4 | 76.4 | 0 | 0 | 0 | 0 | 114.9 | D688 K693 | D688-T691 VanDerWaalsContact CB-OG1 3.23Å; D688-T691 WeakPolarHBondContact CB-OG1 3.47Å; D688-T691 VanDerWaalsContact CG-N 3.34Å; D688-T691 PolarHBondContact OD1-N 3Å; D688-T691 WeakPolarHBondContact OD2-CB 3.45Å; D688-T691 WeakPolarHBondContact OD2-CG2 3.44Å; D688-T691 PolarHBondContact OD2-OG1 3.03Å; T691-K693 PolarHBondContact O-N 2.75Å; T691-K693 VanDerWaalsContact O-N 3.08Å |
| 692 | G | 92.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | trans | 67.7 | 1.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | D688 | D688-G692 WeakPolarHBondContact O-CA 3.15Å; D688-G692 PolarHBondContact O-N 3.28Å | ||
| 693 | K | 94.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 39% | 0.391 | 25% | 0.254 | S | S | . | . | trans | -62.3 | 146.2 | 173.5 | -82.5 | 172.7 | 164.1 | -83.8 | 0 | 111.2 | E619 I687 D688 T691 W695 | E619-K693 IonicContact OE1-NZ 3.39Å; E619-K693 PolarHBondContact OE1-NZ 2.96Å; E619-K693 IonicContact OE2-NZ 3.56Å; E619-K693 PolarHBondContact OE2-NZ 2.92Å; I687-K693 CarbonylContact C-O 3.58Å; I687-K693 VanDerWaalsContact CA-O 3.3Å; I687-K693 WeakPolarHBondContact CA-O 3.11Å; I687-K693 WeakPolarHBondContact CG1-O 3.2Å; D688-K693 HydrophobicContact CB-CB 4.25Å; D688-K693 PolarHBondContact N-O 2.86Å; T691-K693 PolarHBondContact O-N 2.75Å; T691-K693 VanDerWaalsContact O-N 3.08Å; K693-W695 HydrophobicContact CB-CH2 3.6Å; K693-W695 HydrophobicContact CB-CZ2 3.79Å; K693-W695 HydrophobicContact CB-CZ3 4.06Å; K693-W695 HydrophobicContact CD-CH2 4.3Å; K693-W695 HydrophobicContact CD-CZ2 4.01Å | ||
| 694 | L | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.7 | -174.4 | -166.9 | 78.2 | 0 | 0 | 0 | 110.5 | V620 L643 F685 R686 I687 L710 I731 | V620-L694 HydrophobicContact CB-CB 4.24Å; V620-L694 HydrophobicContact CB-CD2 4.14Å; V620-L694 HydrophobicContact CB-CG 4.44Å; V620-L694 HydrophobicContact CG1-CD2 4.34Å; V620-L694 HydrophobicContact CG2-CB 4.45Å; V620-L694 HydrophobicContact CG2-CD2 4.01Å; V620-L694 HydrophobicContact CG2-CG 4.21Å; V620-L694 PolarHBondContact N-O 3.19Å; L643-L694 HydrophobicContact CD1-CD1 3.77Å; L643-L694 HydrophobicContact CD2-CD1 4.01Å; L643-L694 HydrophobicContact CG-CD1 4.37Å; F685-L694 HydrophobicContact CB-CD1 4.14Å; F685-L694 HydrophobicContact CB-CG 4.34Å; F685-L694 HydrophobicContact CD1-CD2 4.21Å; F685-L694 HydrophobicContact CD1-CG 4.42Å; R686-L694 WeakPolarHBondContact O-CA 3.11Å; R686-L694 WeakPolarHBondContact O-CD1 3.26Å; I687-L694 HydrophobicContact CB-CD1 3.9Å; I687-L694 HydrophobicContact CD1-CD1 4.5Å; I687-L694 HydrophobicContact CG1-CD1 4.13Å; L694-L710 HydrophobicContact CD1-CD1 4.39Å; L694-L710 HydrophobicContact CD2-CD1 4.1Å; L694-I731 HydrophobicContact CD2-CD1 3.41Å; L694-I731 VanDerWaalsContact CD2-CD1 3.41Å; L694-I731 HydrophobicContact CD2-CG1 4.36Å |
| 695 | W | 94.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.5 | 177.2 | -58.1 | -92.5 | 0 | 0 | 0 | 112.4 | A618 E619 F685 R686 D688 K693 | A618-W695 CarbonylContact O-C 3.25Å; A618-W695 WeakPolarHBondContact O-CA 3.31Å; A618-W695 WeakPolarHBondContact O-CB 3.28Å; E619-W695 PolarHBondContact OE2-NE1 3.25Å; F685-W695 CarbonylContact C-O 3.58Å; F685-W695 VanDerWaalsContact CA-O 3.27Å; F685-W695 WeakPolarHBondContact CA-O 3.1Å; R686-W695 HydrophobicContact CG-CB 4.11Å; R686-W695 HydrophobicContact CG-CE3 4.23Å; R686-W695 VanDerWaalsContact CZ-CB 3.48Å; R686-W695 PolarHBondContact N-O 2.76Å; R686-W695 PolarHBondContact O-N 3.07Å; D688-W695 HydrophobicContact CB-CH2 3.9Å; D688-W695 HydrophobicContact CB-CZ3 3.76Å; K693-W695 HydrophobicContact CB-CH2 3.6Å; K693-W695 HydrophobicContact CB-CZ2 3.79Å; K693-W695 HydrophobicContact CB-CZ3 4.06Å; K693-W695 HydrophobicContact CD-CH2 4.3Å; K693-W695 HydrophobicContact CD-CZ2 4.01Å |
| 696 | T | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 146.6 | 170.8 | 69.1 | 0 | 0 | 0 | 0 | 111.4 | V611 Q615 H617 A618 V620 F684 F685 R686 Q698 L700 | V611-T696 HydrophobicContact CG2-CG2 3.9Å; Q615-T696 PolarHBondContact O-OG1 2.63Å; H617-T696 WeakPolarHBondContact CA-O 3.4Å; H617-T696 PolarHBondContact N-OG1 3Å; A618-T696 HydrophobicContact CB-CG2 4.48Å; A618-T696 PolarHBondContact N-OG1 2.9Å; A618-T696 VanDerWaalsContact N-OG1 3.12Å; A618-T696 PolarHBondContact O-N 3.09Å; V620-T696 HydrophobicContact CG2-CG2 4.49Å; F684-T696 CarbonylContact O-C 3.59Å; F684-T696 WeakPolarHBondContact O-CA 3.01Å; F685-T696 HydrophobicContact CD1-CG2 4.25Å; F685-T696 HydrophobicContact CE1-CG2 3.96Å; R686-T696 PolarHBondContact NH1-O 2.92Å; T696-Q698 VanDerWaalsContact CB-O 3.25Å; T696-Q698 WeakPolarHBondContact CB-O 3.18Å; T696-Q698 PolarHBondContact OG1-O 2.71Å; T696-L700 HydrophobicContact CG2-CD1 3.94Å; T696-L700 HydrophobicContact CG2-CG 4.1Å |
| 697 | I | 90.7 | Very high | 92.2 | Very high | 72 Ų | 72 | 54.7 Ų | 54.7 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -92.3 | -32.4 | 174.1 | -66.6 | 173.7 | 0 | 0 | 0 | 110.6 | H617 F684 F685 R686 | H617-I697 PolarHBondContact CD2-O 2.87Å; H617-I697 PolarHBondContact NE2-O 2.96Å; F684-I697 PolarHBondContact O-N 2.94Å; F685-I697 WeakPolarHBondContact O-CD1 3.49Å; R686-I697 HydrophobicContact CB-CD1 4.22Å; R686-I697 HydrophobicContact CB-CG1 4.17Å; R686-I697 HydrophobicContact CG-CG1 4.3Å |
| 698 | Q | 87.9 | Confident | 92 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -128.6 | 172.3 | 175.8 | 53.3 | 167.9 | 88.3 | 0 | 0 | 109.9 | F684 T696 | F684-Q698 HydrophobicContact CD1-CG 3.97Å; T696-Q698 VanDerWaalsContact CB-O 3.25Å; T696-Q698 WeakPolarHBondContact CB-O 3.18Å; T696-Q698 PolarHBondContact OG1-O 2.71Å |
| 699 | S | 89.2 | Confident | 91.8 | Very high | 52 Ų | 52 | 55.6 Ų | 55.6 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | trans | -61.2 | 142.6 | 160.2 | 45.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 700 | L | 91.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | trans | -99.5 | 168.2 | 168.3 | -51.2 | -176 | 0 | 0 | 0 | 109.1 | V611 E613 N614 F684 F685 T696 Y708 V733 | V611-L700 HydrophobicContact CG1-CD1 3.77Å; E613-L700 WeakPolarHBondContact CB-O 3.17Å; N614-L700 PolarHBondContact N-O 3.18Å; F684-L700 HydrophobicContact CB-CD2 4.15Å; F684-L700 HydrophobicContact CD1-CD2 3.84Å; F684-L700 HydrophobicContact CG-CD2 4.43Å; F685-L700 HydrophobicContact CE1-CD1 3.91Å; F685-L700 HydrophobicContact CZ-CD1 3.61Å; T696-L700 HydrophobicContact CG2-CD1 3.94Å; T696-L700 HydrophobicContact CG2-CG 4.1Å; L700-Y708 HydrophobicContact CD1-CD2 4.43Å; L700-Y708 HydrophobicContact CD1-CE2 4.05Å; L700-Y708 HydrophobicContact CD2-CE2 4.37Å; L700-V733 HydrophobicContact CB-CG1 4.4Å; L700-V733 HydrophobicContact CB-CG2 4.26Å; L700-V733 HydrophobicContact CD1-CG2 3.93Å | ||
| 701 | D | 91.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 46.1 Ų | 46.1 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | trans | -151.9 | 115.1 | -168.9 | 132.6 | 34.2 | 0 | 0 | 0 | 105.6 | N704 R705 | D701-N704 WeakPolarHBondContact OD1-CB 3.3Å; D701-N704 PolarHBondContact OD1-N 3.12Å; D701-N704 VanDerWaalsContact OD1-N 3.09Å; D701-N704 WeakPolarHBondContact OD2-CB 3.39Å; D701-N704 PolarHBondContact OD2-ND2 3.45Å; D701-R705 PolarHBondContact O-N 2.93Å | ||
| 702 | C | 92.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.5 | -35.4 | -163 | -163.9 | 0 | 0 | 0 | 0 | 112.1 | E613 N704 R705 S706 V733 D735 V772 | E613-C702 WeakPolarHBondContact OE2-CB 3.36Å; E613-C702 PolarHBondContact OE2-N 3.01Å; C702-N704 VanDerWaalsContact C-N 3.31Å; C702-N704 PolarHBondContact O-N 3.34Å; C702-R705 CarbonylContact O-C 3.59Å; C702-R705 VanDerWaalsContact O-C 3.24Å; C702-R705 PolarHBondContact O-N 3Å; C702-S706 PolarHBondContact O-N 3.29Å; C702-S706 WeakPolarHBondContact SG-CB 3.45Å; C702-V733 HydrophobicContact CB-CB 4.36Å; C702-V733 HydrophobicContact CB-CG1 3.92Å; C702-D735 HydrophobicContact CB-CB 3.67Å; C702-V772 HydrophobicContact CB-CG2 4.45Å |
| 703 | E | 92.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 43.6 Ų | 43.6 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -33.8 | -177.6 | -70.3 | 60 | -129.6 | 0 | 0 | 111 | K770 D771 V772 | E703-K770 WeakPolarHBondContact CG-O 3.46Å; E703-D771 WeakPolarHBondContact OE1-CA 3.28Å; E703-V772 HydrophobicContact CG-CG2 4.19Å; E703-V772 WeakPolarHBondContact OE1-CG2 2.93Å; E703-V772 PolarHBondContact OE1-N 2.65Å |
| 704 | N | 89.4 | Confident | 91.7 | Very high | 129 Ų | 129 | 39.3 Ų | 39.3 | 69% | 0.69 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -77.7 | -44.5 | 167.8 | -176.6 | 10.6 | 0 | 0 | 0 | 112.1 | D701 C702 | D701-N704 WeakPolarHBondContact OD1-CB 3.3Å; D701-N704 PolarHBondContact OD1-N 3.12Å; D701-N704 VanDerWaalsContact OD1-N 3.09Å; D701-N704 WeakPolarHBondContact OD2-CB 3.39Å; D701-N704 PolarHBondContact OD2-ND2 3.45Å; C702-N704 VanDerWaalsContact C-N 3.31Å; C702-N704 PolarHBondContact O-N 3.34Å |
| 705 | R | 89.7 | Confident | 91.7 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 19% | 0.185 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -157.4 | 98.8 | 178 | -169.8 | 167.2 | 177.2 | -167.7 | -1.5 | 115.1 | S681 D701 C702 E707 Y708 V733 | S681-R705 PolarHBondContact OG-NH1 3.17Å; S681-R705 PolarHBondContact OG-NH2 2.88Å; D701-R705 PolarHBondContact O-N 2.93Å; C702-R705 CarbonylContact O-C 3.59Å; C702-R705 VanDerWaalsContact O-C 3.24Å; C702-R705 PolarHBondContact O-N 3Å; R705-E707 WeakPolarHBondContact CG-O 3.46Å; R705-E707 PolarHBondContact NE-O 2.9Å; R705-E707 PolarHBondContact NH2-O 2.84Å; R705-E707 PolarHBondContact O-N 3.19Å; R705-Y708 HydrophobicContact CB-CE2 4.06Å; R705-Y708 HydrophobicContact CG-CD2 4.2Å; R705-Y708 HydrophobicContact CG-CE1 4.35Å; R705-Y708 HydrophobicContact CG-CE2 3.8Å; R705-Y708 VanDerWaalsContact CZ-CD1 3.5Å; R705-Y708 VanDerWaalsContact O-CE2 3.28Å; R705-Y708 WeakPolarHBondContact O-CE2 3.28Å; R705-V733 WeakPolarHBondContact O-CG2 3.29Å |
| 706 | S | 91 | Very high | 91.7 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 40% | 0.399 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -75.1 | -17.1 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 115.8 | C702 T732 V733 | C702-S706 PolarHBondContact O-N 3.29Å; C702-S706 WeakPolarHBondContact SG-CB 3.45Å; S706-T732 WeakPolarHBondContact O-CA 3.3Å; S706-V733 PolarHBondContact O-N 2.82Å |
| 707 | E | 91.3 | Very high | 91.5 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 132.2 | -179.9 | -167.5 | 170.8 | 80.8 | 0 | 0 | 114.1 | R705 H709 V730 I731 | R705-E707 WeakPolarHBondContact CG-O 3.46Å; R705-E707 PolarHBondContact NE-O 2.9Å; R705-E707 PolarHBondContact NH2-O 2.84Å; R705-E707 PolarHBondContact O-N 3.19Å; E707-H709 IonicContact OE1-CE1 2.71Å; E707-H709 PolarHBondContact OE1-CE1 2.87Å; E707-H709 IonicContact OE1-NE2 3.55Å; E707-V730 VanDerWaalsContact CD-CG1 3.45Å; E707-V730 HydrophobicContact CG-CG1 3.7Å; E707-V730 WeakPolarHBondContact OE2-CG1 3.45Å; E707-I731 WeakPolarHBondContact CA-O 3.48Å |
| 708 | Y | 90.7 | Very high | 91 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.6 | 176 | -67.7 | -103.3 | 0 | 0 | 0 | 111.4 | F684 F685 L700 R705 I731 V733 | F684-Y708 HydrophobicContact CB-CE1 4.13Å; F684-Y708 AromaticContact CD1-CE1 3.91Å; F684-Y708 HydrophobicContact CD1-CE1 3.91Å; F684-Y708 HydrophobicContact CD2-CD1 4.43Å; F684-Y708 AromaticContact CD2-CE1 3.84Å; F684-Y708 HydrophobicContact CD2-CE1 3.84Å; F684-Y708 HydrophobicContact CE1-CE1 4.26Å; F684-Y708 HydrophobicContact CE2-CE1 4.21Å; F684-Y708 HydrophobicContact CG-CD1 4.43Å; F684-Y708 AromaticContact CG-CE1 3.68Å; F684-Y708 HydrophobicContact CG-CE1 3.68Å; F684-Y708 HydrophobicContact CZ-CE1 4.41Å; F685-Y708 AromaticContact CE2-CD1 3.68Å; F685-Y708 HydrophobicContact CE2-CD1 3.68Å; F685-Y708 HydrophobicContact CE2-CD2 4.28Å; F685-Y708 HydrophobicContact CE2-CE1 4.32Å; F685-Y708 AromaticContact CE2-CG 3.64Å; F685-Y708 HydrophobicContact CE2-CG 3.64Å; F685-Y708 HydrophobicContact CZ-CD1 4.35Å; F685-Y708 HydrophobicContact CZ-CD2 4.16Å; F685-Y708 AromaticContact CZ-CG 3.96Å; F685-Y708 HydrophobicContact CZ-CG 3.96Å; L700-Y708 HydrophobicContact CD1-CD2 4.43Å; L700-Y708 HydrophobicContact CD1-CE2 4.05Å; L700-Y708 HydrophobicContact CD2-CE2 4.37Å; R705-Y708 HydrophobicContact CB-CE2 4.06Å; R705-Y708 HydrophobicContact CG-CD2 4.2Å; R705-Y708 HydrophobicContact CG-CE1 4.35Å; R705-Y708 HydrophobicContact CG-CE2 3.8Å; R705-Y708 VanDerWaalsContact CZ-CD1 3.5Å; R705-Y708 VanDerWaalsContact O-CE2 3.28Å; R705-Y708 WeakPolarHBondContact O-CE2 3.28Å; Y708-I731 PolarHBondContact N-O 2.8Å; Y708-I731 PolarHBondContact O-N 2.85Å; Y708-V733 HydrophobicContact CD2-CG2 4.01Å; Y708-V733 HydrophobicContact CE2-CG2 3.83Å |
| 709 | H | 90.1 | Very high | 90.5 | Very high | 73 Ų | 73 | 42 Ų | 42 | 34% | 0.338 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.4 | 171.1 | -51 | -56.4 | 0 | 0 | 0 | 110.1 | S681 E707 I729 | S681-H709 WeakPolarHBondContact CB-O 3.48Å; E707-H709 IonicContact OE1-CE1 2.71Å; E707-H709 PolarHBondContact OE1-CE1 2.87Å; E707-H709 IonicContact OE1-NE2 3.55Å; H709-I729 WeakPolarHBondContact CA-O 3.42Å |
| 710 | L | 90.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 157.8 | 172.8 | -51.5 | 172.4 | 0 | 0 | 0 | 109.5 | L643 S681 T682 F685 L694 I729 I731 | L643-L710 HydrophobicContact CD1-CD1 4.25Å; L643-L710 HydrophobicContact CD2-CB 4.43Å; L643-L710 HydrophobicContact CD2-CD1 4.07Å; S681-L710 VanDerWaalsContact C-CD2 3.44Å; S681-L710 WeakPolarHBondContact O-CD2 3.28Å; T682-L710 HydrophobicContact CG2-CD2 4.3Å; F685-L710 HydrophobicContact CB-CD1 4.04Å; F685-L710 HydrophobicContact CD2-CD1 3.9Å; F685-L710 HydrophobicContact CD2-CD2 4.11Å; F685-L710 HydrophobicContact CD2-CG 4.44Å; F685-L710 HydrophobicContact CG-CD1 4.04Å; L694-L710 HydrophobicContact CD1-CD1 4.39Å; L694-L710 HydrophobicContact CD2-CD1 4.1Å; L710-I729 HydrophobicContact CB-CB 4.24Å; L710-I729 PolarHBondContact N-O 3.37Å; L710-I729 PolarHBondContact O-N 2.84Å; L710-I731 HydrophobicContact CD1-CD1 3.66Å; L710-I731 HydrophobicContact CG-CD1 4.32Å |
| 711 | V | 91.3 | Very high | 89.6 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127 | 161.4 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | L643 V644 P646 L649 I713 | L643-V711 WeakPolarHBondContact CA-O 3.27Å; V644-V711 PolarHBondContact N-O 3.14Å; V644-V711 PolarHBondContact O-N 2.72Å; P646-V711 HydrophobicContact CB-CG2 4.5Å; P646-V711 HydrophobicContact CG-CG2 4.1Å; L649-V711 HydrophobicContact CD2-CG1 4.46Å; V711-I713 HydrophobicContact CG1-CG1 4.42Å |
| 712 | V | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.9 | 166.9 | 59.4 | 0 | 0 | 0 | 0 | 109 | F602 I626 Y641 S642 L643 I687 S726 A727 I729 | F602-V712 HydrophobicContact CE1-CG1 3.9Å; F602-V712 HydrophobicContact CE1-CG2 4.37Å; F602-V712 HydrophobicContact CZ-CB 4.39Å; F602-V712 HydrophobicContact CZ-CG1 3.76Å; F602-V712 HydrophobicContact CZ-CG2 4.06Å; I626-V712 HydrophobicContact CG2-CG1 4.3Å; I626-V712 HydrophobicContact CG2-CG2 4.29Å; Y641-V712 HydrophobicContact CD1-CG2 4.3Å; S642-V712 CarbonylContact O-C 3.19Å; S642-V712 WeakPolarHBondContact O-CA 3.44Å; S642-V712 WeakPolarHBondContact O-CG2 3.36Å; L643-V712 HydrophobicContact CD2-CB 4.38Å; I687-V712 HydrophobicContact CD1-CG2 3.64Å; V712-S726 CarbonylContact O-C 3.49Å; V712-S726 VanDerWaalsContact O-CA 3.28Å; V712-S726 WeakPolarHBondContact O-CA 3.33Å; V712-A727 HydrophobicContact CG1-CB 4.14Å; V712-A727 WeakPolarHBondContact CG1-O 3.46Å; V712-A727 PolarHBondContact N-O 2.86Å; V712-A727 PolarHBondContact O-N 2.97Å; V712-I729 HydrophobicContact CB-CD1 3.79Å; V712-I729 HydrophobicContact CB-CG1 4.29Å; V712-I729 HydrophobicContact CG1-CD1 3.86Å; V712-I729 HydrophobicContact CG1-CG1 3.88Å |
| 713 | I | 94.5 | Very high | 89.6 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 14% | 0.138 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.5 | 172.9 | -60.7 | -169.9 | 0 | 0 | 0 | 108.3 | Y641 S642 V644 L649 V711 R715 S725 | Y641-I713 WeakPolarHBondContact CA-O 3.34Å; S642-I713 PolarHBondContact N-O 3.01Å; S642-I713 PolarHBondContact O-N 3.11Å; V644-I713 HydrophobicContact CB-CD1 4.01Å; V644-I713 HydrophobicContact CB-CG1 4.33Å; V644-I713 HydrophobicContact CG1-CD1 4.45Å; V644-I713 HydrophobicContact CG2-CD1 3.53Å; V644-I713 HydrophobicContact CG2-CG1 4Å; L649-I713 HydrophobicContact CD1-CD1 3.84Å; V711-I713 HydrophobicContact CG1-CG1 4.42Å; I713-R715 HydrophobicContact CG2-CB 4.47Å; I713-S725 VanDerWaalsContact CA-O 3.31Å; I713-S725 WeakPolarHBondContact CA-O 3.23Å; I713-S725 WeakPolarHBondContact CG2-O 3.47Å |
| 714 | A | 95.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | P600 F602 A628 I639 T640 Y641 S724 S725 | P600-A714 HydrophobicContact CB-CB 3.67Å; P600-A714 HydrophobicContact CG-CB 4.43Å; F602-A714 HydrophobicContact CD2-CB 4.36Å; F602-A714 HydrophobicContact CE1-CB 4.05Å; F602-A714 HydrophobicContact CE2-CB 3.59Å; F602-A714 HydrophobicContact CZ-CB 3.4Å; F602-A714 VanDerWaalsContact CZ-CB 3.4Å; A628-A714 HydrophobicContact CB-CB 3.81Å; I639-A714 HydrophobicContact CG2-CB 3.88Å; T640-A714 WeakPolarHBondContact O-CA 3.26Å; Y641-A714 HydrophobicContact CD1-CB 4.15Å; Y641-A714 HydrophobicContact CE1-CB 4.05Å; A714-S724 CarbonylContact O-C 3.57Å; A714-S724 WeakPolarHBondContact O-CA 3.34Å; A714-S724 VanDerWaalsContact O-CB 3.28Å; A714-S724 WeakPolarHBondContact O-CB 3.49Å; A714-S725 PolarHBondContact N-O 2.64Å; A714-S725 PolarHBondContact O-N 3.08Å |
| 715 | R | 94.6 | Very high | 90 | Very high | 126 Ų | 126 | 45.1 Ų | 45.1 | 48% | 0.475 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.8 | -178.1 | -176.5 | -168.9 | 177.5 | 165 | -0.6 | 109.2 | I639 T640 I713 L723 | I639-R715 CarbonylContact C-O 3.58Å; T640-R715 PolarHBondContact N-O 2.92Å; T640-R715 PolarHBondContact O-N 3.4Å; T640-R715 PolarHBondContact OG1-O 2.84Å; I713-R715 HydrophobicContact CG2-CB 4.47Å; R715-L723 WeakPolarHBondContact CA-O 3.36Å; R715-L723 VanDerWaalsContact CG-O 3.31Å; R715-L723 WeakPolarHBondContact CG-O 3.46Å |
| 716 | D | 94.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | trans | -70.9 | -177.5 | 174.4 | 59.9 | 52.8 | 0 | 0 | 0 | 112.8 | N596 P600 N636 L638 G718 P722 L723 | N596-D716 PolarHBondContact ND2-OD2 3.39Å; P600-D716 HydrophobicContact CG-CB 4.28Å; N636-D716 WeakPolarHBondContact O-CB 3.17Å; L638-D716 CarbonylContact O-C 3.58Å; L638-D716 WeakPolarHBondContact O-CA 3.36Å; D716-G718 WeakPolarHBondContact OD1-CA 3.4Å; D716-G718 PolarHBondContact OD1-N 2.85Å; D716-P722 WeakPolarHBondContact OD1-CA 3.5Å; D716-P722 WeakPolarHBondContact OD1-CB 3.28Å; D716-L723 VanDerWaalsContact CG-N 3.31Å; D716-L723 PolarHBondContact N-O 2.93Å; D716-L723 PolarHBondContact OD1-N 2.92Å; D716-L723 VanDerWaalsContact OD1-N 3.13Å; D716-L723 WeakPolarHBondContact OD2-CA 3.5Å; D716-L723 VanDerWaalsContact OD2-CB 3.28Å; D716-L723 WeakPolarHBondContact OD2-CB 3.35Å; D716-L723 PolarHBondContact OD2-N 3.08Å; D716-L723 VanDerWaalsContact OD2-O 3.13Å | ||
| 717 | S | 88.7 | Confident | 90.3 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | trans | -109.6 | 31.4 | 172.4 | -53 | 0 | 0 | 0 | 0 | 111.7 | V635 L638 | V635-S717 CarbonylContact O-C 3.58Å; V635-S717 WeakPolarHBondContact O-CA 3.33Å; V635-S717 WeakPolarHBondContact O-CB 3.14Å; V635-S717 PolarHBondContact O-N 2.94Å; L638-S717 PolarHBondContact O-N 3.06Å; L638-S717 PolarHBondContact O-OG 3.2Å | ||
| 718 | G | 81 | Confident | 90.3 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 10% | 0.103 | 25% | 0.25 | C | C | . | . | trans | -69.8 | 159.2 | -166 | 0 | 0 | 0 | 0 | 0 | 118.1 | N596 N636 D716 | N596-G718 WeakPolarHBondContact OD1-CA 3.48Å; N636-G718 WeakPolarHBondContact OD1-CA 3.38Å; D716-G718 WeakPolarHBondContact OD1-CA 3.4Å; D716-G718 PolarHBondContact OD1-N 2.85Å | ||
| 719 | S | 76 | Confident | 90.4 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 59% | 0.587 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -139.4 | 134.7 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | N636 | N636-S719 PolarHBondContact OD1-N 2.82Š|
| 720 | P | 78.4 | Confident | 90.5 | Very high | 110 Ų | 110 | 40.5 Ų | 40.5 | 71% | 0.714 | 24% | 0.242 | S | C | * | . | S | Bend | cis | -84.9 | -18.5 | 15.6 | 32.6 | -36.8 | 0 | 0 | 0 | 115.5 | ||
| 721 | V | 85.5 | Confident | 90.7 | Very high | 96 Ų | 96 | 40.4 Ų | 40.4 | 58% | 0.582 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -134.8 | 118.8 | 179 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 722 | P | 91.2 | Very high | 90.8 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 25% | 0.253 | 26% | 0.256 | S | S | . | . | trans | -73.5 | 133.4 | 177.3 | 29.2 | -35.2 | 0 | 0 | 0 | 111.1 | D716 | D716-P722 WeakPolarHBondContact OD1-CA 3.5Å; D716-P722 WeakPolarHBondContact OD1-CB 3.28Å | ||
| 723 | L | 92.3 | Very high | 90.8 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 29% | 0.293 | 26% | 0.259 | S | S | . | . | trans | -94.9 | 170.3 | -178.7 | -59.7 | 176.5 | 0 | 0 | 0 | 111.1 | N596 H598 K599 R715 D716 | N596-L723 VanDerWaalsContact O-CD1 3.31Å; N596-L723 WeakPolarHBondContact O-CD1 3.32Å; H598-L723 VanDerWaalsContact O-CD1 3.27Å; H598-L723 WeakPolarHBondContact O-CD1 3.39Å; K599-L723 HydrophobicContact CB-CB 3.66Å; K599-L723 HydrophobicContact CB-CD1 4.27Å; R715-L723 WeakPolarHBondContact CA-O 3.36Å; R715-L723 VanDerWaalsContact CG-O 3.31Å; R715-L723 WeakPolarHBondContact CG-O 3.46Å; D716-L723 VanDerWaalsContact CG-N 3.31Å; D716-L723 PolarHBondContact N-O 2.93Å; D716-L723 PolarHBondContact OD1-N 2.92Å; D716-L723 VanDerWaalsContact OD1-N 3.13Å; D716-L723 WeakPolarHBondContact OD2-CA 3.5Å; D716-L723 VanDerWaalsContact OD2-CB 3.28Å; D716-L723 WeakPolarHBondContact OD2-CB 3.35Å; D716-L723 PolarHBondContact OD2-N 3.08Å; D716-L723 VanDerWaalsContact OD2-O 3.13Å | ||
| 724 | S | 94.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 159.8 | -177.1 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | A714 | A714-S724 CarbonylContact O-C 3.57Å; A714-S724 WeakPolarHBondContact O-CA 3.34Å; A714-S724 VanDerWaalsContact O-CB 3.28Å; A714-S724 WeakPolarHBondContact O-CB 3.49Å |
| 725 | S | 94.2 | Very high | 90.6 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 171.7 | 164.3 | 80.2 | 0 | 0 | 0 | 0 | 111.2 | P600 F602 I713 A714 | P600-S725 WeakPolarHBondContact O-CB 3.46Å; P600-S725 PolarHBondContact O-OG 3.16Å; F602-S725 VanDerWaalsContact CD2-OG 3.3Å; F602-S725 WeakPolarHBondContact CD2-OG 3.38Å; I713-S725 VanDerWaalsContact CA-O 3.31Å; I713-S725 WeakPolarHBondContact CA-O 3.23Å; I713-S725 WeakPolarHBondContact CG2-O 3.47Å; A714-S725 PolarHBondContact N-O 2.64Å; A714-S725 PolarHBondContact O-N 3.08Å |
| 726 | S | 93.6 | Very high | 90.4 | Very high | 53 Ų | 53 | 42.6 Ų | 42.6 | 37% | 0.371 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.4 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | V712 | V712-S726 CarbonylContact O-C 3.49Å; V712-S726 VanDerWaalsContact O-CA 3.28Å; V712-S726 WeakPolarHBondContact O-CA 3.33Å |
| 727 | A | 93.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F602 F607 V712 | F602-A727 HydrophobicContact CB-CB 4.09Å; F602-A727 HydrophobicContact CD1-CB 4.08Å; F602-A727 HydrophobicContact CD2-CB 3.62Å; F602-A727 HydrophobicContact CE1-CB 4.4Å; F602-A727 HydrophobicContact CE2-CB 3.97Å; F602-A727 HydrophobicContact CG-CB 3.67Å; F602-A727 HydrophobicContact CZ-CB 4.34Å; F607-A727 HydrophobicContact CD2-CB 4.02Å; F607-A727 HydrophobicContact CE2-CB 3.77Å; V712-A727 HydrophobicContact CG1-CB 4.14Å; V712-A727 WeakPolarHBondContact CG1-O 3.46Å; V712-A727 PolarHBondContact N-O 2.86Å; V712-A727 PolarHBondContact O-N 2.97Å |
| 728 | N | 92 | Very high | 90.2 | Very high | 83 Ų | 83 | 42.7 Ų | 42.7 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 144.1 | 177.5 | -64.5 | -24.9 | 0 | 0 | 0 | 110.4 | S605 I606 F607 | S605-N728 PolarHBondContact O-N 3.05Å; I606-N728 CarbonylContact C-O 3.31Å; I606-N728 WeakPolarHBondContact CA-O 3.41Å; I606-N728 HydrophobicContact CG1-CB 4.39Å; F607-N728 PolarHBondContact N-O 3.18Å |
| 729 | I | 93.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.6 | 167 | -51.5 | 169.7 | 0 | 0 | 0 | 108.1 | F607 M622 I626 L643 H709 L710 V712 I731 | F607-I729 HydrophobicContact CB-CG1 4.47Å; F607-I729 WeakPolarHBondContact O-CA 3.21Å; M622-I729 HydrophobicContact CE-CG2 3.91Å; M622-I729 HydrophobicContact SD-CG2 4.47Å; I626-I729 HydrophobicContact CD1-CD1 3.56Å; I626-I729 HydrophobicContact CD1-CG1 4.24Å; L643-I729 HydrophobicContact CD2-CD1 4.17Å; H709-I729 WeakPolarHBondContact CA-O 3.42Å; L710-I729 HydrophobicContact CB-CB 4.24Å; L710-I729 PolarHBondContact N-O 3.37Å; L710-I729 PolarHBondContact O-N 2.84Å; V712-I729 HydrophobicContact CB-CD1 3.79Å; V712-I729 HydrophobicContact CB-CG1 4.29Å; V712-I729 HydrophobicContact CG1-CD1 3.86Å; V712-I729 HydrophobicContact CG1-CG1 3.88Å; I729-I731 HydrophobicContact CG2-CD1 4.28Å; I729-I731 HydrophobicContact CG2-CG1 3.77Å |
| 730 | V | 92.8 | Very high | 91.1 | Very high | 31 Ų | 31 | 43 Ų | 43 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.7 | 167.4 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | I606 F607 T608 G609 E707 | I606-V730 HydrophobicContact CG2-CG2 4.23Å; F607-V730 PolarHBondContact O-N 2.9Å; T608-V730 WeakPolarHBondContact CA-O 3.33Å; T608-V730 HydrophobicContact CG2-CB 4.41Å; G609-V730 PolarHBondContact N-O 2.84Å; E707-V730 VanDerWaalsContact CD-CG1 3.45Å; E707-V730 HydrophobicContact CG-CG1 3.7Å; E707-V730 WeakPolarHBondContact OE2-CG1 3.45Å |
| 731 | I | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 115.6 | -178.6 | -51.6 | 170.3 | 0 | 0 | 0 | 108 | G609 V611 V620 F685 L694 E707 Y708 L710 I729 | G609-I731 WeakPolarHBondContact O-CA 3.41Å; V611-I731 HydrophobicContact CG1-CG2 3.9Å; V620-I731 HydrophobicContact CG1-CD1 4.48Å; V620-I731 HydrophobicContact CG1-CG1 4.37Å; V620-I731 HydrophobicContact CG1-CG2 3.77Å; F685-I731 HydrophobicContact CD1-CD1 3.83Å; F685-I731 HydrophobicContact CD2-CD1 4.17Å; F685-I731 HydrophobicContact CE1-CD1 3.54Å; F685-I731 HydrophobicContact CE1-CG2 4.15Å; F685-I731 HydrophobicContact CE2-CD1 3.92Å; F685-I731 HydrophobicContact CG-CD1 4.14Å; F685-I731 HydrophobicContact CZ-CB 4.39Å; F685-I731 HydrophobicContact CZ-CD1 3.59Å; F685-I731 HydrophobicContact CZ-CG2 4.13Å; L694-I731 HydrophobicContact CD2-CD1 3.41Å; L694-I731 VanDerWaalsContact CD2-CD1 3.41Å; L694-I731 HydrophobicContact CD2-CG1 4.36Å; E707-I731 WeakPolarHBondContact CA-O 3.48Å; Y708-I731 PolarHBondContact N-O 2.8Å; Y708-I731 PolarHBondContact O-N 2.85Å; L710-I731 HydrophobicContact CD1-CD1 3.66Å; L710-I731 HydrophobicContact CG-CD1 4.32Å; I729-I731 HydrophobicContact CG2-CD1 4.28Å; I729-I731 HydrophobicContact CG2-CG1 3.77Å |
| 732 | T | 94.3 | Very high | 91.9 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.5 | 172.6 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | G609 Q610 V611 S706 | G609-T732 PolarHBondContact O-N 2.78Å; G609-T732 PolarHBondContact O-OG1 2.97Å; Q610-T732 WeakPolarHBondContact CA-O 3.43Å; Q610-T732 WeakPolarHBondContact CG-OG1 3.49Å; V611-T732 PolarHBondContact N-O 3.42Å; S706-T732 WeakPolarHBondContact O-CA 3.3Å |
| 733 | V | 93.9 | Very high | 91.9 | Very high | 12 Ų | 12 | 37 Ų | 37 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.9 | 169.8 | -174 | 0 | 0 | 0 | 0 | 108.5 | V611 E613 L700 C702 R705 S706 Y708 | V611-V733 CarbonylContact O-C 3.44Å; V611-V733 VanDerWaalsContact O-CA 3.3Å; V611-V733 WeakPolarHBondContact O-CA 3.3Å; E613-V733 HydrophobicContact CB-CG1 3.57Å; L700-V733 HydrophobicContact CB-CG1 4.4Å; L700-V733 HydrophobicContact CB-CG2 4.26Å; L700-V733 HydrophobicContact CD1-CG2 3.93Å; C702-V733 HydrophobicContact CB-CB 4.36Å; C702-V733 HydrophobicContact CB-CG1 3.92Å; R705-V733 WeakPolarHBondContact O-CG2 3.29Å; S706-V733 PolarHBondContact O-N 2.82Å; Y708-V733 HydrophobicContact CD2-CG2 4.01Å; Y708-V733 HydrophobicContact CE2-CG2 3.83Å |
| 734 | E | 91.9 | Very high | 91.8 | Very high | 76 Ų | 76 | 39 Ų | 39 | 36% | 0.355 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.2 | 174.2 | -53 | -173.7 | 151.2 | 0 | 0 | 108.7 | Q610 V611 I612 E613 | Q610-E734 PolarHBondContact NE2-OE1 3.36Å; V611-E734 PolarHBondContact O-N 3.29Å; I612-E734 HydrophobicContact CG1-CB 4.24Å; I612-E734 WeakPolarHBondContact CG1-OE2 3.48Å; E613-E734 PolarHBondContact N-O 2.9Å; E613-E734 VanDerWaalsContact N-O 3.12Å |
| 735 | D | 92.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 153.6 | -177.2 | 99.9 | 75.1 | 0 | 0 | 0 | 113.2 | C702 V772 T773 N776 | C702-D735 HydrophobicContact CB-CB 3.67Å; D735-V772 HydrophobicContact CB-CB 4.3Å; D735-T773 WeakPolarHBondContact OD2-CA 3.49Å; D735-T773 WeakPolarHBondContact OD2-CB 3.45Å; D735-T773 PolarHBondContact OD2-N 3.37Å; D735-T773 PolarHBondContact OD2-OG1 3.12Å; D735-N776 PolarHBondContact OD1-ND2 3.3Å |
| 736 | T | 90 | Very high | 91.2 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 22% | 0.221 | 25% | 0.246 | C | C | . | . | trans | -133.3 | 129.7 | 180 | 57.8 | 0 | 0 | 0 | 0 | 108.2 | I612 E613 D738 | I612-T736 HydrophobicContact CG2-CG2 3.63Å; E613-T736 HydrophobicContact CG-CG2 4.26Å; E613-T736 WeakPolarHBondContact CG-OG1 3.4Å; E613-T736 WeakPolarHBondContact OE1-CA 3.33Å; E613-T736 PolarHBondContact OE1-N 3.31Å; E613-T736 PolarHBondContact OE1-OG1 2.8Å; T736-D738 PolarHBondContact O-N 2.92Å | ||
| 737 | N | 90.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -56.9 | 96.8 | -179.5 | 176.6 | -121.8 | 0 | 0 | 0 | 111.3 | D771 N776 N824 V826 P827 I828 H829 | N737-D771 VanDerWaalsContact CA-OD2 3.27Å; N737-D771 WeakPolarHBondContact CA-OD2 3.37Å; N737-D771 PolarHBondContact ND2-OD2 3.22Å; N737-N776 HydrophobicContact CB-CB 3.87Å; N737-N776 PolarHBondContact N-ND2 3.47Å; N737-N824 PolarHBondContact ND2-ND2 2.97Å; N737-N824 VanDerWaalsContact ND2-ND2 3.16Å; N737-V826 HydrophobicContact CB-CG1 4.35Å; N737-V826 PolarHBondContact OD1-O 2.94Å; N737-P827 VanDerWaalsContact OD1-C 3.3Å; N737-P827 PolarHBondContact OD1-O 3.26Å; N737-I828 CarbonylContact O-C 3.51Å; N737-I828 WeakPolarHBondContact O-CA 3.38Å; N737-I828 WeakPolarHBondContact O-CG2 3.23Å; N737-I828 WeakPolarHBondContact OD1-CA 3.36Å; N737-I828 PolarHBondContact OD1-N 2.99Å; N737-H829 PolarHBondContact O-N 3.03Å |
| 738 | D | 88.3 | Confident | 91.1 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | trans | -126.5 | -18 | -175.5 | 106 | -24.8 | 0 | 0 | 0 | 112.9 | N614 T736 D771 | N614-D738 PolarHBondContact ND2-OD2 2.88Å; T736-D738 PolarHBondContact O-N 2.92Å; D738-D771 PolarHBondContact N-OD1 3.33Å | ||
| 739 | N | 87.7 | Confident | 91.2 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | trans | -79.5 | 173.8 | 171.2 | -65.6 | -87.7 | 0 | 0 | 0 | 112.4 | K770 D771 I828 | N739-K770 HydrophobicContact CB-CB 4.12Å; N739-D771 VanDerWaalsContact CB-OD1 3.26Å; N739-D771 WeakPolarHBondContact CB-OD1 3.41Å; N739-D771 PolarHBondContact N-OD1 3.12Å; N739-D771 VanDerWaalsContact N-OD1 3.11Å; N739-D771 PolarHBondContact ND2-OD1 2.8Å; N739-I828 WeakPolarHBondContact O-CD1 3.41Å | ||
| 740 | V | 88.5 | Confident | 91.3 | Very high | 62 Ų | 62 | 52.7 Ų | 52.7 | 38% | 0.376 | 28% | 0.278 | S | S | . | . | trans | -124.7 | 149.6 | 171.4 | -75.4 | 0 | 0 | 0 | 0 | 109.5 | E742 D769 I828 I846 T848 | V740-E742 PolarHBondContact O-N 2.89Å; V740-D769 WeakPolarHBondContact CA-OD2 3.16Å; V740-I828 HydrophobicContact CG1-CD1 3.48Å; V740-I828 VanDerWaalsContact CG1-CD1 3.48Å; V740-I846 HydrophobicContact CG1-CG2 4.02Å; V740-T848 HydrophobicContact CG2-CG2 4.44Å | ||
| 741 | P | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -62.8 | 130.9 | 175.9 | -23.8 | 34 | 0 | 0 | 0 | 111.1 | A767 D769 V779 A822 N824 T848 | P741-A767 HydrophobicContact CB-CB 4.23Å; P741-D769 HydrophobicContact CB-CB 4.35Å; P741-D769 WeakPolarHBondContact CD-OD2 3.35Å; P741-D769 HydrophobicContact CG-CB 4.19Å; P741-V779 HydrophobicContact CB-CB 4.39Å; P741-V779 HydrophobicContact CB-CG1 3.77Å; P741-V779 HydrophobicContact CB-CG2 3.71Å; P741-V779 HydrophobicContact CG-CB 4.44Å; P741-V779 HydrophobicContact CG-CG1 3.97Å; P741-V779 HydrophobicContact CG-CG2 3.87Å; P741-A822 HydrophobicContact CB-CB 4.17Å; P741-N824 WeakPolarHBondContact CD-OD1 3.49Å; P741-T848 WeakPolarHBondContact O-CB 3.27Å; P741-T848 WeakPolarHBondContact O-CG2 3.43Å; P741-T848 PolarHBondContact O-OG1 2.89Å | ||
| 742 | E | 89.2 | Confident | 91.4 | Very high | 105 Ų | 105 | 58 Ų | 58 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.6 | 178.1 | -174.5 | 171.2 | -168.2 | 0 | 0 | 110.2 | V740 A767 I768 K770 | V740-E742 PolarHBondContact O-N 2.89Å; E742-A767 CarbonylContact O-C 3.53Å; E742-A767 VanDerWaalsContact O-CA 3.26Å; E742-A767 WeakPolarHBondContact O-CA 3.46Å; E742-I768 PolarHBondContact N-O 3.09Å; E742-I768 PolarHBondContact O-N 2.86Å; E742-K770 VanDerWaalsContact OE2-CE 3.32Å; E742-K770 WeakPolarHBondContact OE2-CE 3.11Å; E742-K770 IonicContact OE2-NZ 3.93Å; E742-K770 PolarHBondContact OE2-NZ 2.87Å |
| 743 | F | 92.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 57.5 Ų | 57.5 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 134.9 | 174.4 | -77.8 | -80.4 | 0 | 0 | 0 | 111.5 | N745 Y748 V765 E766 A767 Y781 V820 A822 T848 A850 | F743-N745 WeakPolarHBondContact CB-O 3.49Å; F743-N745 PolarHBondContact O-N 3.45Å; F743-N745 VanDerWaalsContact O-N 3.17Å; F743-Y748 HydrophobicContact CB-CE2 4.47Å; F743-Y748 HydrophobicContact CD1-CE2 4.04Å; F743-V765 HydrophobicContact CD1-CB 4.44Å; F743-V765 HydrophobicContact CE1-CB 4.17Å; F743-V765 HydrophobicContact CE1-CG2 4.03Å; F743-E766 WeakPolarHBondContact CA-O 3.5Å; F743-E766 WeakPolarHBondContact CD1-O 3.36Å; F743-A767 HydrophobicContact CD1-CB 3.81Å; F743-A767 HydrophobicContact CD2-CB 4.45Å; F743-A767 HydrophobicContact CE1-CB 4.12Å; F743-A767 HydrophobicContact CG-CB 3.99Å; F743-Y781 AromaticContact CE1-CD1 3.91Å; F743-Y781 HydrophobicContact CE1-CD1 3.91Å; F743-Y781 AromaticContact CE1-CE1 3.82Å; F743-Y781 HydrophobicContact CE1-CE1 3.82Å; F743-Y781 HydrophobicContact CZ-CD1 4.15Å; F743-Y781 HydrophobicContact CZ-CE1 4.38Å; F743-V820 HydrophobicContact CE1-CB 4.37Å; F743-V820 HydrophobicContact CE1-CG1 4.15Å; F743-V820 WeakPolarHBondContact CE2-O 3.47Å; F743-V820 HydrophobicContact CZ-CB 3.98Å; F743-V820 HydrophobicContact CZ-CG1 3.77Å; F743-A822 HydrophobicContact CD2-CB 4.24Å; F743-A822 HydrophobicContact CE1-CB 4.29Å; F743-A822 HydrophobicContact CE2-CB 3.48Å; F743-A822 VanDerWaalsContact CE2-CB 3.48Å; F743-A822 HydrophobicContact CZ-CB 3.51Å; F743-T848 WeakPolarHBondContact CE2-O 3.34Å; F743-A850 HydrophobicContact CB-CB 3.86Å; F743-A850 HydrophobicContact CD1-CB 3.89Å; F743-A850 HydrophobicContact CD2-CB 3.45Å; F743-A850 VanDerWaalsContact CD2-CB 3.45Å; F743-A850 HydrophobicContact CE1-CB 4.26Å; F743-A850 HydrophobicContact CE2-CB 3.84Å; F743-A850 HydrophobicContact CG-CB 3.47Å; F743-A850 VanDerWaalsContact CG-CB 3.47Å; F743-A850 HydrophobicContact CZ-CB 4.23Å |
| 744 | L | 88.8 | Confident | 91.1 | Very high | 97 Ų | 97 | 57.1 Ų | 57.1 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -55 | -35.5 | 176 | -71 | -174.4 | 0 | 0 | 0 | 112.8 | E766 I768 | L744-E766 HydrophobicContact CD1-CB 3.95Å; L744-E766 HydrophobicContact CD1-CG 3.93Å; L744-E766 WeakPolarHBondContact CD1-OE2 3.34Å; L744-E766 HydrophobicContact CG-CB 4.3Å; L744-E766 HydrophobicContact CG-CG 4.31Å; L744-E766 PolarHBondContact N-O 2.86Å; L744-I768 HydrophobicContact CD2-CD1 3.68Å; L744-I768 HydrophobicContact CD2-CG1 4.19Å; L744-I768 HydrophobicContact CG-CD1 4.44Å |
| 745 | N | 90.1 | Very high | 90.9 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | trans | -126.8 | 133.8 | 175.1 | -67.9 | 54.9 | 0 | 0 | 0 | 110.2 | F743 H747 Y748 | F743-N745 WeakPolarHBondContact CB-O 3.49Å; F743-N745 PolarHBondContact O-N 3.45Å; F743-N745 VanDerWaalsContact O-N 3.17Å; N745-H747 PolarHBondContact O-N 3.18Å; N745-Y748 HydrophobicContact CB-CD1 4.14Å; N745-Y748 HydrophobicContact CB-CD2 4.15Å; N745-Y748 HydrophobicContact CB-CE1 3.89Å; N745-Y748 HydrophobicContact CB-CE2 3.9Å; N745-Y748 HydrophobicContact CB-CG 4.27Å; N745-Y748 WeakPolarHBondContact O-CE2 3.27Å | ||
| 746 | T | 87 | Confident | 90.8 | Very high | 101 Ų | 101 | 57 Ų | 57 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -71.3 | -20.7 | 169.4 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | S851 | T746-S851 PolarHBondContact O-N 3.03Å; T746-S851 PolarHBondContact O-OG 2.82Å; T746-S851 VanDerWaalsContact O-OG 3.08Å |
| 747 | H | 91 | Very high | 90.9 | Very high | 126 Ų | 126 | 59.4 Ų | 59.4 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 118.2 | 179.7 | -56.5 | 72.7 | 0 | 0 | 0 | 108.8 | N745 S851 | N745-H747 PolarHBondContact O-N 3.18Å; H747-S851 WeakPolarHBondContact CA-O 3.39Å; H747-S851 WeakPolarHBondContact CA-OG 3.38Å; H747-S851 PolarHBondContact CD2-OG 2.97Å |
| 748 | Y | 93 | Very high | 91 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.5 | 171.3 | -67.9 | -92.7 | 0 | 0 | 0 | 109.6 | F743 N745 F750 V765 E766 A850 S851 V852 V853 | F743-Y748 HydrophobicContact CB-CE2 4.47Å; F743-Y748 HydrophobicContact CD1-CE2 4.04Å; N745-Y748 HydrophobicContact CB-CD1 4.14Å; N745-Y748 HydrophobicContact CB-CD2 4.15Å; N745-Y748 HydrophobicContact CB-CE1 3.89Å; N745-Y748 HydrophobicContact CB-CE2 3.9Å; N745-Y748 HydrophobicContact CB-CG 4.27Å; N745-Y748 WeakPolarHBondContact O-CE2 3.27Å; Y748-F750 HydrophobicContact CD1-CE1 4.47Å; Y748-F750 HydrophobicContact CD1-CE2 4.45Å; Y748-F750 AromaticContact CD1-CZ 3.79Å; Y748-F750 HydrophobicContact CD1-CZ 3.79Å; Y748-F750 HydrophobicContact CG-CE2 4.36Å; Y748-F750 HydrophobicContact CG-CZ 4.14Å; Y748-V765 HydrophobicContact CD1-CG1 3.86Å; Y748-V765 HydrophobicContact CD2-CB 4.16Å; Y748-V765 HydrophobicContact CD2-CG1 3.47Å; Y748-V765 VanDerWaalsContact CD2-CG1 3.47Å; Y748-V765 HydrophobicContact CE1-CB 4.18Å; Y748-V765 HydrophobicContact CE1-CG1 4.01Å; Y748-V765 HydrophobicContact CE2-CB 3.78Å; Y748-V765 HydrophobicContact CE2-CG1 3.63Å; Y748-V765 HydrophobicContact CG-CG1 3.58Å; Y748-E766 PolarHBondContact OH-N 3.45Å; Y748-E766 VanDerWaalsContact OH-N 3.07Å; Y748-E766 PolarHBondContact OH-O 3.4Å; Y748-A850 HydrophobicContact CD2-CB 4.31Å; Y748-A850 HydrophobicContact CE2-CB 4.09Å; Y748-S851 PolarHBondContact N-O 2.97Å; Y748-V852 HydrophobicContact CD2-CG2 4.41Å; Y748-V852 WeakPolarHBondContact O-CA 3.49Å; Y748-V853 PolarHBondContact O-N 3.04Å |
| 749 | L | 94.7 | Very high | 91.1 | Very high | 134 Ų | 134 | 60.9 Ų | 60.9 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.9 | 171.8 | -57.2 | -178.1 | 0 | 0 | 0 | 107.8 | V853 | L749-V853 WeakPolarHBondContact CA-O 3.47Å; L749-V853 HydrophobicContact CD2-CB 3.87Å; L749-V853 HydrophobicContact CD2-CG2 4.37Å |
| 750 | F | 95.4 | Very high | 91.5 | Very high | 32 Ų | 32 | 61.2 Ų | 61.2 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 155 | 173.8 | -58.8 | -57.9 | 0 | 0 | 0 | 110.4 | Y748 I762 V764 V765 L802 V852 V853 I854 T855 | Y748-F750 HydrophobicContact CD1-CE1 4.47Å; Y748-F750 HydrophobicContact CD1-CE2 4.45Å; Y748-F750 AromaticContact CD1-CZ 3.79Å; Y748-F750 HydrophobicContact CD1-CZ 3.79Å; Y748-F750 HydrophobicContact CG-CE2 4.36Å; Y748-F750 HydrophobicContact CG-CZ 4.14Å; F750-I762 HydrophobicContact CB-CG2 3.53Å; F750-I762 HydrophobicContact CD2-CG2 4.21Å; F750-I762 HydrophobicContact CG-CG2 4.06Å; F750-V764 WeakPolarHBondContact CZ-O 3.25Å; F750-V765 HydrophobicContact CE2-CG1 4.09Å; F750-V765 HydrophobicContact CZ-CG1 4.19Å; F750-L802 HydrophobicContact CE2-CD1 4.11Å; F750-V852 HydrophobicContact CD2-CG1 3.65Å; F750-V852 HydrophobicContact CE2-CG1 3.73Å; F750-V853 PolarHBondContact N-O 3.07Å; F750-I854 HydrophobicContact CB-CG1 4.49Å; F750-I854 CarbonylContact O-C 3.55Å; F750-I854 WeakPolarHBondContact O-CA 3.28Å; F750-T855 PolarHBondContact O-N 3.42Å |
| 751 | E | 94.3 | Very high | 91.8 | Very high | 135 Ų | 135 | 63.2 Ų | 63.2 | 63% | 0.631 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.3 | 177.5 | -61.5 | -175.6 | 160.3 | 0 | 0 | 109 | T855 L857 | E751-T855 WeakPolarHBondContact CA-O 3.34Å; E751-L857 HydrophobicContact CB-CD1 4.12Å; E751-L857 HydrophobicContact CB-CD2 4.19Å; E751-L857 HydrophobicContact CB-CG 4.18Å; E751-L857 HydrophobicContact CG-CD2 4.34Å |
| 752 | V | 94.3 | Very high | 92 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135.2 | 174.2 | 70.2 | 0 | 0 | 0 | 0 | 108.7 | A756 T760 T804 I808 I854 T855 I856 L857 | V752-A756 HydrophobicContact CG2-CB 3.88Å; V752-T760 HydrophobicContact CG2-CG2 4.39Å; V752-T804 HydrophobicContact CG2-CG2 4.22Å; V752-I808 HydrophobicContact CG1-CD1 4.44Å; V752-I854 HydrophobicContact CB-CG2 4.43Å; V752-I854 HydrophobicContact CG1-CG2 3.88Å; V752-T855 PolarHBondContact N-O 2.83Å; V752-I856 HydrophobicContact CG1-CG1 4.08Å; V752-I856 WeakPolarHBondContact O-CA 3.35Å; V752-L857 PolarHBondContact O-N 2.72Å |
| 753 | A | 91.1 | Very high | 92.2 | Very high | 46 Ų | 46 | 59.6 Ų | 59.6 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 140 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A756 | A753-A756 WeakPolarHBondContact O-CB 3.14Å; A753-A756 PolarHBondContact O-N 3.15Å |
| 754 | E | 90.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 161.6 | 168.1 | 77.6 | -176.4 | 119.3 | 0 | 0 | 111.8 | A756 I808 R810 I856 L857 N858 L859 | E754-A756 PolarHBondContact O-N 2.59Å; E754-I808 CarbonylContact C-O 3.5Å; E754-I808 WeakPolarHBondContact CA-O 3.48Å; E754-R810 HydrophobicContact CB-CB 4.31Å; E754-R810 VanDerWaalsContact OE2-CB 3.28Å; E754-R810 WeakPolarHBondContact OE2-CB 3.48Å; E754-R810 PolarHBondContact OE2-N 2.69Å; E754-I856 HydrophobicContact CB-CG2 3.5Å; E754-L857 PolarHBondContact N-O 3.47Å; E754-N858 WeakPolarHBondContact OE1-CA 3.39Å; E754-L859 HydrophobicContact CG-CB 4.22Å; E754-L859 HydrophobicContact CG-CD1 3.88Å; E754-L859 HydrophobicContact CG-CG 3.99Å; E754-L859 PolarHBondContact OE1-N 2.76Å |
| 755 | N | 88.7 | Confident | 92.6 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 10 | -172.6 | -68.7 | -62.8 | 0 | 0 | 0 | 114.9 | I808 | N755-I808 PolarHBondContact N-O 2.9Š|
| 756 | A | 89.5 | Confident | 92.7 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 137.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V752 A753 E754 T760 P807 | V752-A756 HydrophobicContact CG2-CB 3.88Å; A753-A756 WeakPolarHBondContact O-CB 3.14Å; A753-A756 PolarHBondContact O-N 3.15Å; E754-A756 PolarHBondContact O-N 2.59Å; A756-T760 HydrophobicContact CB-CG2 4.32Å; A756-P807 VanDerWaalsContact O-CA 3.25Å; A756-P807 WeakPolarHBondContact O-CA 3.42Å; A756-P807 WeakPolarHBondContact O-CB 3.3Å |
| 757 | P | 92.2 | Very high | 92.9 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 153.6 | -179.3 | -28.7 | 35.9 | 0 | 0 | 0 | 114.4 | G759 T760 T804 | P757-G759 PolarHBondContact O-N 3.33Å; P757-T760 WeakPolarHBondContact O-CB 3.14Å; P757-T760 PolarHBondContact O-N 2.8Å; P757-T760 PolarHBondContact O-OG1 2.91Å; P757-T804 PolarHBondContact O-OG1 3.36Å |
| 758 | G | 91.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 131.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 759 | G | 92 | Very high | 92.8 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -2.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P757 E761 T804 | P757-G759 PolarHBondContact O-N 3.33Å; G759-E761 PolarHBondContact O-N 2.91Å; G759-T804 WeakPolarHBondContact CA-O 3.4Å; G759-T804 PolarHBondContact N-O 2.82Å; G759-T804 PolarHBondContact N-OG1 3.1Å; G759-T804 VanDerWaalsContact N-OG1 3.13Å |
| 760 | T | 94.8 | Very high | 92.6 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 27% | 0.27 | 29% | 0.294 | S | S | . | . | trans | -60.5 | 134.2 | 172.4 | -69.3 | 0 | 0 | 0 | 0 | 110.5 | V752 A756 P757 R803 T804 | V752-T760 HydrophobicContact CG2-CG2 4.39Å; A756-T760 HydrophobicContact CB-CG2 4.32Å; P757-T760 WeakPolarHBondContact O-CB 3.14Å; P757-T760 PolarHBondContact O-N 2.8Å; P757-T760 PolarHBondContact O-OG1 2.91Å; T760-R803 CarbonylContact O-C 3.59Å; T760-R803 VanDerWaalsContact O-CA 3.23Å; T760-R803 WeakPolarHBondContact O-CA 3Å; T760-T804 PolarHBondContact N-OG1 2.72Å; T760-T804 PolarHBondContact O-N 3.48Å | ||
| 761 | E | 95.4 | Very high | 92.5 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.5 | 176.7 | -163.2 | 152.4 | 115.2 | 0 | 0 | 110.6 | G759 T801 R803 | G759-E761 PolarHBondContact O-N 2.91Å; E761-T801 HydrophobicContact CG-CG2 3.72Å; E761-T801 VanDerWaalsContact OE2-CG2 3.29Å; E761-T801 WeakPolarHBondContact OE2-CG2 3.27Å; E761-R803 HydrophobicContact CG-CG 4.49Å; E761-R803 IonicContact OE2-CZ 3.71Å; E761-R803 IonicContact OE2-NE 3.65Å; E761-R803 PolarHBondContact OE2-NE 3.39Å; E761-R803 IonicContact OE2-NH2 2.77Å; E761-R803 PolarHBondContact OE2-NH2 2.83Å |
| 762 | I | 95.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -36.1 | -174 | -59.6 | 173.8 | 0 | 0 | 0 | 110.1 | F750 I793 L802 T804 I854 | F750-I762 HydrophobicContact CB-CG2 3.53Å; F750-I762 HydrophobicContact CD2-CG2 4.21Å; F750-I762 HydrophobicContact CG-CG2 4.06Å; I762-I793 HydrophobicContact CD1-CD1 3.62Å; I762-I793 HydrophobicContact CD1-CG2 4.39Å; I762-L802 HydrophobicContact CB-CB 4.38Å; I762-L802 PolarHBondContact N-O 2.87Å; I762-T804 HydrophobicContact CD1-CG2 3.72Å; I762-T804 HydrophobicContact CG1-CG2 3.92Å; I762-I854 HydrophobicContact CD1-CD1 4.09Å; I762-I854 HydrophobicContact CG2-CD1 4.13Å; I762-I854 HydrophobicContact CG2-CG1 4.04Å; I762-I854 HydrophobicContact CG2-CG2 3.73Å |
| 763 | G | 93.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -175.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L802 | G763-L802 PolarHBondContact O-N 2.91Å |
| 764 | V | 94.8 | Very high | 91.8 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 40% | 0.4 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.4 | 176.7 | -178 | 0 | 0 | 0 | 0 | 108 | F750 S799 T801 | F750-V764 WeakPolarHBondContact CZ-O 3.25Å; V764-S799 VanDerWaalsContact CG1-O 3.31Å; V764-S799 WeakPolarHBondContact CG1-O 3.42Å; V764-T801 HydrophobicContact CG2-CG2 4.23Å |
| 765 | V | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -102.7 | 141 | 165.5 | -61.2 | 0 | 0 | 0 | 0 | 109.7 | F743 Y748 F750 Y781 I795 G800 L802 V820 V852 | F743-V765 HydrophobicContact CD1-CB 4.44Å; F743-V765 HydrophobicContact CE1-CB 4.17Å; F743-V765 HydrophobicContact CE1-CG2 4.03Å; Y748-V765 HydrophobicContact CD1-CG1 3.86Å; Y748-V765 HydrophobicContact CD2-CB 4.16Å; Y748-V765 HydrophobicContact CD2-CG1 3.47Å; Y748-V765 VanDerWaalsContact CD2-CG1 3.47Å; Y748-V765 HydrophobicContact CE1-CB 4.18Å; Y748-V765 HydrophobicContact CE1-CG1 4.01Å; Y748-V765 HydrophobicContact CE2-CB 3.78Å; Y748-V765 HydrophobicContact CE2-CG1 3.63Å; Y748-V765 HydrophobicContact CG-CG1 3.58Å; F750-V765 HydrophobicContact CE2-CG1 4.09Å; F750-V765 HydrophobicContact CZ-CG1 4.19Å; V765-Y781 HydrophobicContact CG2-CD1 4.33Å; V765-I795 HydrophobicContact CG2-CD1 3.73Å; V765-G800 WeakPolarHBondContact CG2-O 3.31Å; V765-G800 PolarHBondContact N-O 2.95Å; V765-L802 HydrophobicContact CB-CD1 4.41Å; V765-L802 HydrophobicContact CG1-CD1 3.71Å; V765-L802 HydrophobicContact CG2-CD1 4.04Å; V765-V820 HydrophobicContact CG2-CB 4.33Å; V765-V820 HydrophobicContact CG2-CG1 3.98Å; V765-V820 HydrophobicContact CG2-CG2 4.14Å; V765-V852 HydrophobicContact CG1-CG2 3.85Å | ||
| 766 | E | 92.3 | Very high | 91.8 | Very high | 103 Ų | 103 | 53.3 Ų | 53.3 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | trans | -130.8 | 133.8 | -173.8 | -175.6 | 168.9 | -162.6 | 0 | 0 | 109.6 | F743 L744 Y748 | F743-E766 WeakPolarHBondContact CA-O 3.5Å; F743-E766 WeakPolarHBondContact CD1-O 3.36Å; L744-E766 HydrophobicContact CD1-CB 3.95Å; L744-E766 HydrophobicContact CD1-CG 3.93Å; L744-E766 WeakPolarHBondContact CD1-OE2 3.34Å; L744-E766 HydrophobicContact CG-CB 4.3Å; L744-E766 HydrophobicContact CG-CG 4.31Å; L744-E766 PolarHBondContact N-O 2.86Å; Y748-E766 PolarHBondContact OH-N 3.45Å; Y748-E766 VanDerWaalsContact OH-N 3.07Å; Y748-E766 PolarHBondContact OH-O 3.4Å | ||
| 767 | A | 91.5 | Very high | 91.8 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P741 E742 F743 V779 Y781 A822 | P741-A767 HydrophobicContact CB-CB 4.23Å; E742-A767 CarbonylContact O-C 3.53Å; E742-A767 VanDerWaalsContact O-CA 3.26Å; E742-A767 WeakPolarHBondContact O-CA 3.46Å; F743-A767 HydrophobicContact CD1-CB 3.81Å; F743-A767 HydrophobicContact CD2-CB 4.45Å; F743-A767 HydrophobicContact CE1-CB 4.12Å; F743-A767 HydrophobicContact CG-CB 3.99Å; A767-V779 HydrophobicContact CB-CG1 4.18Å; A767-Y781 HydrophobicContact CB-CE1 3.91Å; A767-Y781 PolarHBondContact N-OH 3.01Å; A767-Y781 PolarHBondContact O-OH 3.2Å; A767-A822 HydrophobicContact CB-CB 3.9Å |
| 768 | I | 90.4 | Very high | 91.7 | Very high | 88 Ų | 88 | 57.7 Ų | 57.7 | 45% | 0.451 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.8 | -177.5 | -61.3 | -176.1 | 0 | 0 | 0 | 107.4 | E742 L744 | E742-I768 PolarHBondContact N-O 3.09Å; E742-I768 PolarHBondContact O-N 2.86Å; L744-I768 HydrophobicContact CD2-CD1 3.68Å; L744-I768 HydrophobicContact CD2-CG1 4.19Å; L744-I768 HydrophobicContact CG-CD1 4.44Å |
| 769 | D | 91.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | trans | -86.7 | 152.3 | 164.6 | -164 | -63.1 | 0 | 0 | 0 | 109.5 | V740 P741 D771 V779 N824 | V740-D769 WeakPolarHBondContact CA-OD2 3.16Å; P741-D769 HydrophobicContact CB-CB 4.35Å; P741-D769 WeakPolarHBondContact CD-OD2 3.35Å; P741-D769 HydrophobicContact CG-CB 4.19Å; D769-D771 VanDerWaalsContact OD1-CG 3.29Å; D769-D771 PolarHBondContact OD1-N 3.19Å; D769-D771 VanDerWaalsContact OD1-N 3.08Å; D769-V779 HydrophobicContact CB-CG2 4.43Å; D769-N824 PolarHBondContact OD2-ND2 3.47Å | ||
| 770 | K | 90.4 | Very high | 91.7 | Very high | 111 Ų | 111 | 57.5 Ų | 57.5 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | trans | -95.8 | -21.9 | -169.8 | -70.8 | 166.8 | -172.3 | 154.7 | 0 | 113.7 | E703 N739 E742 | E703-K770 WeakPolarHBondContact CG-O 3.46Å; N739-K770 HydrophobicContact CB-CB 4.12Å; E742-K770 VanDerWaalsContact OE2-CE 3.32Å; E742-K770 WeakPolarHBondContact OE2-CE 3.11Å; E742-K770 IonicContact OE2-NZ 3.93Å; E742-K770 PolarHBondContact OE2-NZ 2.87Å | ||
| 771 | D | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -50 | 149.2 | -178.6 | -61 | -29.5 | 0 | 0 | 0 | 111.9 | E703 N737 D738 N739 D769 N776 Q777 | E703-D771 WeakPolarHBondContact OE1-CA 3.28Å; N737-D771 VanDerWaalsContact CA-OD2 3.27Å; N737-D771 WeakPolarHBondContact CA-OD2 3.37Å; N737-D771 PolarHBondContact ND2-OD2 3.22Å; D738-D771 PolarHBondContact N-OD1 3.33Å; N739-D771 VanDerWaalsContact CB-OD1 3.26Å; N739-D771 WeakPolarHBondContact CB-OD1 3.41Å; N739-D771 PolarHBondContact N-OD1 3.12Å; N739-D771 VanDerWaalsContact N-OD1 3.11Å; N739-D771 PolarHBondContact ND2-OD1 2.8Å; D769-D771 VanDerWaalsContact OD1-CG 3.29Å; D769-D771 PolarHBondContact OD1-N 3.19Å; D769-D771 VanDerWaalsContact OD1-N 3.08Å; D771-N776 HydrophobicContact CB-CB 3.71Å; D771-N776 WeakPolarHBondContact OD2-CB 3.44Å; D771-Q777 VanDerWaalsContact O-CD 3.28Å; D771-Q777 WeakPolarHBondContact O-CG 3.16Å; D771-Q777 PolarHBondContact O-NE2 2.53Å | ||
| 772 | V | 88.6 | Confident | 91.5 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -74.2 | -37.2 | -175.1 | 168 | 0 | 0 | 0 | 0 | 113.6 | C702 E703 D735 Q777 | C702-V772 HydrophobicContact CB-CG2 4.45Å; E703-V772 HydrophobicContact CG-CG2 4.19Å; E703-V772 WeakPolarHBondContact OE1-CG2 2.93Å; E703-V772 PolarHBondContact OE1-N 2.65Å; D735-V772 HydrophobicContact CB-CB 4.3Å; V772-Q777 PolarHBondContact O-NE2 2.67Å |
| 773 | T | 88.4 | Confident | 91.4 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -84.2 | 133.5 | -172.8 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | D735 L775 N776 Q777 | D735-T773 WeakPolarHBondContact OD2-CA 3.49Å; D735-T773 WeakPolarHBondContact OD2-CB 3.45Å; D735-T773 PolarHBondContact OD2-N 3.37Å; D735-T773 PolarHBondContact OD2-OG1 3.12Å; T773-L775 HydrophobicContact CG2-CB 4.04Å; T773-L775 PolarHBondContact O-N 3.34Å; T773-N776 PolarHBondContact O-N 2.78Å; T773-Q777 PolarHBondContact O-N 2.83Å; T773-Q777 VanDerWaalsContact O-N 3.07Å |
| 774 | I | 88.9 | Confident | 91.3 | Very high | 127 Ų | 127 | 59.5 Ų | 59.5 | 65% | 0.651 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -7.6 | 178.1 | -57.3 | 167.1 | 0 | 0 | 0 | 114.5 | R778 | I774-R778 WeakPolarHBondContact O-CG 3.02Å; I774-R778 PolarHBondContact O-NE 2.77Å |
| 775 | L | 89.2 | Confident | 91 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 48% | 0.482 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -39.3 | 172.4 | -174.8 | 64.1 | 0 | 0 | 0 | 111.9 | T773 V826 | T773-L775 HydrophobicContact CG2-CB 4.04Å; T773-L775 PolarHBondContact O-N 3.34Å; L775-V826 HydrophobicContact CD1-CG2 4.39Å; L775-V826 HydrophobicContact CD2-CG2 4.5Å; L775-V826 HydrophobicContact CG-CG2 3.91Å |
| 776 | N | 89.9 | Confident | 90.8 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -40.2 | -176.2 | -59.8 | -5.4 | 0 | 0 | 0 | 109.8 | D735 N737 D771 T773 R778 N824 | D735-N776 PolarHBondContact OD1-ND2 3.3Å; N737-N776 HydrophobicContact CB-CB 3.87Å; N737-N776 PolarHBondContact N-ND2 3.47Å; D771-N776 HydrophobicContact CB-CB 3.71Å; D771-N776 WeakPolarHBondContact OD2-CB 3.44Å; T773-N776 PolarHBondContact O-N 2.78Å; N776-R778 PolarHBondContact O-N 2.83Å; N776-N824 PolarHBondContact O-ND2 2.76Å |
| 777 | Q | 90.1 | Very high | 90.6 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -10.5 | 175.7 | -74.3 | -177.9 | -14 | 0 | 0 | 116.9 | D771 V772 T773 V779 | D771-Q777 VanDerWaalsContact O-CD 3.28Å; D771-Q777 WeakPolarHBondContact O-CG 3.16Å; D771-Q777 PolarHBondContact O-NE2 2.53Å; V772-Q777 PolarHBondContact O-NE2 2.67Å; T773-Q777 PolarHBondContact O-N 2.83Å; T773-Q777 VanDerWaalsContact O-N 3.07Å; Q777-V779 PolarHBondContact O-N 2.86Å |
| 778 | R | 90.9 | Very high | 90.6 | Very high | 113 Ų | 113 | 66.4 Ų | 66.4 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | trans | -84.9 | 120.9 | -165.1 | -61.9 | -176.3 | -178.9 | -172.8 | -1.7 | 112.3 | I774 N776 N824 E825 | I774-R778 WeakPolarHBondContact O-CG 3.02Å; I774-R778 PolarHBondContact O-NE 2.77Å; N776-R778 PolarHBondContact O-N 2.83Å; R778-N824 CarbonylContact O-C 3.52Å; R778-N824 VanDerWaalsContact O-CA 3.29Å; R778-N824 WeakPolarHBondContact O-CA 3.5Å; R778-E825 HydrophobicContact CB-CB 4.03Å; R778-E825 HydrophobicContact CB-CG 3.59Å; R778-E825 WeakPolarHBondContact CD-OE2 3.38Å; R778-E825 IonicContact CZ-OE2 3.31Å; R778-E825 IonicContact NE-OE2 3.77Å; R778-E825 IonicContact NH1-OE2 2.72Å; R778-E825 PolarHBondContact NH1-OE2 3.07Å; R778-E825 PolarHBondContact O-N 2.9Å | ||
| 779 | V | 90.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 150 | -178.2 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | P741 A767 D769 Q777 Y781 A822 E823 | P741-V779 HydrophobicContact CB-CB 4.39Å; P741-V779 HydrophobicContact CB-CG1 3.77Å; P741-V779 HydrophobicContact CB-CG2 3.71Å; P741-V779 HydrophobicContact CG-CB 4.44Å; P741-V779 HydrophobicContact CG-CG1 3.97Å; P741-V779 HydrophobicContact CG-CG2 3.87Å; A767-V779 HydrophobicContact CB-CG1 4.18Å; D769-V779 HydrophobicContact CB-CG2 4.43Å; Q777-V779 PolarHBondContact O-N 2.86Å; V779-Y781 HydrophobicContact CG1-CE1 4.2Å; V779-A822 HydrophobicContact CG1-CB 3.67Å; V779-E823 CarbonylContact C-O 3.57Å; V779-E823 WeakPolarHBondContact CA-O 3.44Å |
| 780 | R | 91.8 | Very high | 90.6 | Very high | 65 Ų | 65 | 64 Ų | 64 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.4 | 167.2 | -63.4 | 173.3 | 177.6 | 148.6 | 1.8 | 110.2 | R797 A822 E823 E825 | R780-R797 CarbonylContact C-O 3.58Å; R780-R797 VanDerWaalsContact CA-O 3.29Å; R780-R797 WeakPolarHBondContact CA-O 3.46Å; R780-R797 HydrophobicContact CB-CG 4.06Å; R780-A822 WeakPolarHBondContact O-CA 3.5Å; R780-E823 HydrophobicContact CB-CG 3.83Å; R780-E823 PolarHBondContact N-O 2.85Å; R780-E823 PolarHBondContact O-N 2.99Å; R780-E825 HydrophobicContact CG-CG 4.14Å; R780-E825 IonicContact CZ-OE1 2.7Å; R780-E825 IonicContact NE-OE1 3.56Å; R780-E825 PolarHBondContact NE-OE1 3.49Å; R780-E825 IonicContact NH2-OE1 2.7Å; R780-E825 PolarHBondContact NH2-OE1 2.91Å |
| 781 | Y | 94 | Very high | 90.6 | Very high | 19 Ų | 19 | 63.8 Ų | 63.8 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.1 | -174 | -55.7 | -83.6 | 0 | 0 | 0 | 112.6 | F743 V765 A767 V779 R797 V820 E821 A822 | F743-Y781 AromaticContact CE1-CD1 3.91Å; F743-Y781 HydrophobicContact CE1-CD1 3.91Å; F743-Y781 AromaticContact CE1-CE1 3.82Å; F743-Y781 HydrophobicContact CE1-CE1 3.82Å; F743-Y781 HydrophobicContact CZ-CD1 4.15Å; F743-Y781 HydrophobicContact CZ-CE1 4.38Å; V765-Y781 HydrophobicContact CG2-CD1 4.33Å; A767-Y781 HydrophobicContact CB-CE1 3.91Å; A767-Y781 PolarHBondContact N-OH 3.01Å; A767-Y781 PolarHBondContact O-OH 3.2Å; V779-Y781 HydrophobicContact CG1-CE1 4.2Å; Y781-R797 PolarHBondContact N-O 2.64Å; Y781-R797 WeakPolarHBondContact O-CA 3.19Å; Y781-R797 WeakPolarHBondContact O-CG 3.27Å; Y781-V820 HydrophobicContact CD1-CG1 4.24Å; Y781-E821 WeakPolarHBondContact CA-O 3.37Å; Y781-A822 HydrophobicContact CD1-CB 4.43Å; Y781-A822 HydrophobicContact CE1-CB 4.5Å |
| 782 | N | 92.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147.2 | 174.7 | -56.7 | -54 | 0 | 0 | 0 | 110.5 | R797 V820 E821 E823 | N782-R797 PolarHBondContact OD1-NE 2.81Å; N782-V820 CarbonylContact O-C 3.57Å; N782-V820 WeakPolarHBondContact O-CA 3.5Å; N782-V820 WeakPolarHBondContact O-CG1 3Å; N782-E821 HydrophobicContact CB-CB 4.37Å; N782-E821 PolarHBondContact N-O 3.01Å; N782-E821 PolarHBondContact O-N 3.04Å; N782-E823 PolarHBondContact ND2-OE1 2.93Å |
| 783 | L | 93.9 | Very high | 91 | Very high | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 135.6 | 179.9 | -109.5 | -179.6 | 0 | 0 | 0 | 111.9 | L790 I793 I795 L802 L818 I819 V820 | L783-L790 HydrophobicContact CB-CD2 4.07Å; L783-I793 HydrophobicContact CD1-CG2 4.15Å; L783-I795 HydrophobicContact CB-CG2 3.8Å; L783-I795 HydrophobicContact CD1-CB 3.68Å; L783-I795 HydrophobicContact CD1-CG2 3.82Å; L783-I795 HydrophobicContact CG-CB 3.85Å; L783-I795 HydrophobicContact CG-CG2 3.63Å; L783-L802 HydrophobicContact CD1-CD2 4.39Å; L783-L818 HydrophobicContact CD1-CD1 4.38Å; L783-L818 HydrophobicContact CD2-CB 3.81Å; L783-L818 HydrophobicContact CD2-CD1 3.85Å; L783-L818 HydrophobicContact CD2-CG 4.29Å; L783-I819 WeakPolarHBondContact CD2-O 3.36Å; L783-V820 HydrophobicContact CD2-CG2 3.81Å; L783-V820 HydrophobicContact CG-CG2 4.32Å |
| 784 | R | 91.2 | Very high | 91.3 | Very high | 112 Ų | 112 | 60.1 Ų | 60.1 | 42% | 0.423 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.9 | -179.8 | -175.2 | 169.3 | 161.3 | -148.9 | -13.8 | 110.3 | I819 E821 E849 | R784-I819 HydrophobicContact CB-CB 4.47Å; R784-I819 PolarHBondContact N-O 2.82Å; R784-I819 PolarHBondContact O-N 3.16Å; R784-I819 VanDerWaalsContact O-O 3.04Å; R784-E821 WeakPolarHBondContact CD-OE1 3.45Å; R784-E821 IonicContact CZ-OE1 2.71Å; R784-E821 IonicContact NE-OE1 3.93Å; R784-E821 IonicContact NH1-OE1 2.65Å; R784-E821 PolarHBondContact NH1-OE1 3.43Å; R784-E849 IonicContact CZ-OE1 2.75Å; R784-E849 IonicContact NH1-OE1 2.67Å; R784-E849 PolarHBondContact NH1-OE1 2.87Å; R784-E849 IonicContact NH2-OE1 2.73Å |
| 785 | G | 88.6 | Confident | 91.7 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 38% | 0.381 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.5 | -161.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 786 | N | 89 | Confident | 91.9 | Very high | 71 Ų | 71 | 55 Ų | 55 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | trans | -78.4 | 151.9 | 175.1 | 72.7 | 76.3 | 0 | 0 | 0 | 111.8 | E788 D789 L790 | N786-E788 PolarHBondContact O-N 2.8Å; N786-E788 VanDerWaalsContact O-N 3.13Å; N786-E788 PolarHBondContact OD1-N 2.7Å; N786-E788 VanDerWaalsContact OD1-N 3.17Å; N786-D789 PolarHBondContact ND2-OD2 3.11Å; N786-D789 PolarHBondContact O-N 2.72Å; N786-D789 PolarHBondContact OD1-N 3.08Å; N786-D789 PolarHBondContact OD1-OD2 2.78Å; N786-L790 WeakPolarHBondContact O-CG 3.32Å; N786-L790 PolarHBondContact O-N 3.42Å; N786-L790 VanDerWaalsContact O-N 3.12Å | ||
| 787 | N | 89.4 | Confident | 92.1 | Very high | 121 Ų | 121 | 59.1 Ų | 59.1 | 65% | 0.647 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.7 | -173 | -74 | -21.5 | 0 | 0 | 0 | 114.7 | K791 | N787-K791 WeakPolarHBondContact O-CD 3.26Å; N787-K791 WeakPolarHBondContact O-CE 3.5Å; N787-K791 VanDerWaalsContact O-CG 3.27Å; N787-K791 WeakPolarHBondContact O-CG 3.26Å |
| 788 | E | 89.8 | Confident | 92.2 | Very high | 93 Ų | 93 | 61 Ų | 61 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -37.6 | 177.9 | -57.1 | -48.8 | 132 | 0 | 0 | 111.7 | N786 K791 L792 | N786-E788 PolarHBondContact O-N 2.8Å; N786-E788 VanDerWaalsContact O-N 3.13Å; N786-E788 PolarHBondContact OD1-N 2.7Å; N786-E788 VanDerWaalsContact OD1-N 3.17Å; E788-K791 WeakPolarHBondContact O-CB 3.01Å; E788-K791 PolarHBondContact O-N 3.43Å; E788-K791 IonicContact OE1-NZ 2.74Å; E788-K791 PolarHBondContact OE1-NZ 2.92Å; E788-K791 IonicContact OE2-NZ 3.83Å; E788-K791 PolarHBondContact OE2-NZ 3.28Å; E788-L792 PolarHBondContact O-N 2.93Å |
| 789 | D | 91.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -70 | -35.1 | 173.4 | -75.1 | -38 | 0 | 0 | 0 | 112.8 | N786 K791 L792 I793 R813 I816 L818 | N786-D789 PolarHBondContact ND2-OD2 3.11Å; N786-D789 PolarHBondContact O-N 2.72Å; N786-D789 PolarHBondContact OD1-N 3.08Å; N786-D789 PolarHBondContact OD1-OD2 2.78Å; D789-K791 PolarHBondContact O-N 2.67Å; D789-K791 VanDerWaalsContact O-N 3.17Å; D789-L792 WeakPolarHBondContact O-CA 3.39Å; D789-L792 WeakPolarHBondContact O-CB 3.37Å; D789-L792 PolarHBondContact O-N 3.34Å; D789-I793 PolarHBondContact O-N 2.68Å; D789-R813 IonicContact OD1-CZ 2.74Å; D789-R813 IonicContact OD1-NE 2.69Å; D789-R813 PolarHBondContact OD1-NE 3.44Å; D789-R813 IonicContact OD1-NH2 2.65Å; D789-R813 PolarHBondContact OD1-NH2 3.17Å; D789-R813 IonicContact OD2-CZ 2.75Å; D789-R813 IonicContact OD2-NE 3.84Å; D789-R813 IonicContact OD2-NH2 3.79Å; D789-R813 PolarHBondContact OD2-NH2 3.16Å; D789-I816 HydrophobicContact CB-CG2 3.88Å; D789-I816 VanDerWaalsContact OD1-CG1 3.31Å; D789-I816 WeakPolarHBondContact OD1-CG1 3.44Å; D789-L818 HydrophobicContact CB-CD2 3.75Å; D789-L818 HydrophobicContact CB-CG 4.33Å |
| 790 | L | 91.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -66.3 | -13.4 | 172.3 | -65.9 | 173.5 | 0 | 0 | 0 | 113.2 | L783 N786 R805 L818 | L783-L790 HydrophobicContact CB-CD2 4.07Å; N786-L790 WeakPolarHBondContact O-CG 3.32Å; N786-L790 PolarHBondContact O-N 3.42Å; N786-L790 VanDerWaalsContact O-N 3.12Å; L790-R805 PolarHBondContact O-NE 2.84Å; L790-R805 PolarHBondContact O-NH2 3.27Å; L790-L818 HydrophobicContact CD2-CD2 3.83Å; L790-L818 HydrophobicContact CG-CD2 4.18Å |
| 791 | K | 91.4 | Very high | 92.6 | Very high | 107 Ų | 107 | 55 Ų | 55 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -91.8 | -7.6 | 167.5 | -62.8 | 167.2 | -159.8 | 167.6 | 0 | 113.5 | N787 E788 D789 R805 | N787-K791 WeakPolarHBondContact O-CD 3.26Å; N787-K791 WeakPolarHBondContact O-CE 3.5Å; N787-K791 VanDerWaalsContact O-CG 3.27Å; N787-K791 WeakPolarHBondContact O-CG 3.26Å; E788-K791 WeakPolarHBondContact O-CB 3.01Å; E788-K791 PolarHBondContact O-N 3.43Å; E788-K791 IonicContact OE1-NZ 2.74Å; E788-K791 PolarHBondContact OE1-NZ 2.92Å; E788-K791 IonicContact OE2-NZ 3.83Å; E788-K791 PolarHBondContact OE2-NZ 3.28Å; D789-K791 PolarHBondContact O-N 2.67Å; D789-K791 VanDerWaalsContact O-N 3.17Å; K791-R805 VanDerWaalsContact C-CD 3.5Å; K791-R805 VanDerWaalsContact O-CD 3.27Å; K791-R805 WeakPolarHBondContact O-CD 3.38Å |
| 792 | L | 93.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -33.9 | 174.3 | -68.5 | 174.4 | 0 | 0 | 0 | 112.1 | E788 D789 R805 R806 I808 I816 | E788-L792 PolarHBondContact O-N 2.93Å; D789-L792 WeakPolarHBondContact O-CA 3.39Å; D789-L792 WeakPolarHBondContact O-CB 3.37Å; D789-L792 PolarHBondContact O-N 3.34Å; L792-R805 WeakPolarHBondContact O-CB 3.29Å; L792-R805 PolarHBondContact O-N 2.79Å; L792-R806 HydrophobicContact CD2-CG 3.96Å; L792-I808 HydrophobicContact CD2-CG1 4.21Å; L792-I816 HydrophobicContact CB-CD1 3.99Å; L792-I816 HydrophobicContact CD1-CD1 3.65Å; L792-I816 HydrophobicContact CD1-CG1 4.41Å; L792-I816 HydrophobicContact CG-CD1 4.44Å |
| 793 | I | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 147.8 | -170.7 | -47.5 | -58 | 0 | 0 | 0 | 112.3 | I762 L783 D789 L802 R805 I808 I816 L818 I854 | I762-I793 HydrophobicContact CD1-CD1 3.62Å; I762-I793 HydrophobicContact CD1-CG2 4.39Å; L783-I793 HydrophobicContact CD1-CG2 4.15Å; D789-I793 PolarHBondContact O-N 2.68Å; I793-L802 HydrophobicContact CG2-CB 4.46Å; I793-L802 HydrophobicContact CG2-CD2 3.89Å; I793-R805 PolarHBondContact O-NE 3.26Å; I793-R805 PolarHBondContact O-NH2 3.4Å; I793-I808 HydrophobicContact CD1-CD1 4.45Å; I793-I816 HydrophobicContact CD1-CD1 3.93Å; I793-I816 HydrophobicContact CG1-CD1 4.22Å; I793-I816 HydrophobicContact CG1-CG2 4.02Å; I793-L818 HydrophobicContact CB-CD1 3.72Å; I793-L818 HydrophobicContact CG1-CD1 3.79Å; I793-L818 HydrophobicContact CG2-CD1 3.95Å; I793-I854 HydrophobicContact CD1-CD1 3.76Å; I793-I854 HydrophobicContact CG1-CD1 3.85Å; I793-I854 HydrophobicContact CG2-CD1 4.17Å |
| 794 | T | 95.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 155.7 | 168.2 | 28.9 | 0 | 0 | 0 | 0 | 110.8 | L802 R803 R805 | T794-L802 CarbonylContact O-C 2.97Å; T794-L802 VanDerWaalsContact O-CA 3.27Å; T794-L802 WeakPolarHBondContact O-CA 3.29Å; T794-R803 PolarHBondContact N-O 2.74Å; T794-R803 PolarHBondContact O-N 2.75Å; T794-R803 PolarHBondContact OG1-O 3.01Å; T794-R803 VanDerWaalsContact OG1-O 3.07Å; T794-R805 HydrophobicContact CG2-CG 3.89Å; T794-R805 VanDerWaalsContact CG2-CZ 3.48Å |
| 795 | I | 96.4 | Very high | 93 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.3 | 164.7 | -164.5 | 167.4 | 0 | 0 | 0 | 109.4 | V765 L783 T801 L802 V820 | V765-I795 HydrophobicContact CG2-CD1 3.73Å; L783-I795 HydrophobicContact CB-CG2 3.8Å; L783-I795 HydrophobicContact CD1-CB 3.68Å; L783-I795 HydrophobicContact CD1-CG2 3.82Å; L783-I795 HydrophobicContact CG-CB 3.85Å; L783-I795 HydrophobicContact CG-CG2 3.63Å; I795-T801 CarbonylContact C-O 3.57Å; I795-T801 WeakPolarHBondContact CA-O 3.35Å; I795-L802 HydrophobicContact CB-CG 4.41Å; I795-L802 HydrophobicContact CD1-CD1 4.2Å; I795-L802 HydrophobicContact CD1-CG 4.32Å; I795-L802 HydrophobicContact CG1-CD1 4.45Å; I795-L802 HydrophobicContact CG1-CG 4.22Å; I795-V820 HydrophobicContact CD1-CB 4.43Å; I795-V820 HydrophobicContact CD1-CG1 3.54Å; I795-V820 HydrophobicContact CD1-CG2 3.91Å |
| 796 | D | 94.8 | Very high | 93.2 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | trans | -82.6 | 130.4 | 165.4 | -173.7 | -79.9 | 0 | 0 | 0 | 111 | N798 S799 G800 T801 | D796-N798 PolarHBondContact O-N 2.94Å; D796-N798 WeakPolarHBondContact OD1-CA 3.22Å; D796-N798 PolarHBondContact OD1-N 2.86Å; D796-S799 WeakPolarHBondContact CB-OG 3.47Å; D796-S799 PolarHBondContact OD1-N 2.89Å; D796-S799 PolarHBondContact OD1-OG 3.07Å; D796-G800 WeakPolarHBondContact O-CA 3.4Å; D796-G800 PolarHBondContact O-N 3.46Å; D796-T801 PolarHBondContact N-O 2.85Å | ||
| 797 | R | 93.5 | Very high | 93.3 | Very high | 108 Ų | 108 | 60.7 Ų | 60.7 | 41% | 0.408 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -17.9 | -173.2 | -173.9 | 161.3 | -171.5 | -120.9 | 4.3 | 114 | R780 Y781 N782 E823 | R780-R797 CarbonylContact C-O 3.58Å; R780-R797 VanDerWaalsContact CA-O 3.29Å; R780-R797 WeakPolarHBondContact CA-O 3.46Å; R780-R797 HydrophobicContact CB-CG 4.06Å; Y781-R797 PolarHBondContact N-O 2.64Å; Y781-R797 WeakPolarHBondContact O-CA 3.19Å; Y781-R797 WeakPolarHBondContact O-CG 3.27Å; N782-R797 PolarHBondContact OD1-NE 2.81Å; R797-E823 IonicContact CZ-OE1 3.06Å; R797-E823 IonicContact NE-OE1 2.87Å; R797-E823 IonicContact NH2-OE1 3.84Å; R797-E823 PolarHBondContact NH2-OE1 2.91Å |
| 798 | N | 92.4 | Very high | 93.4 | Very high | 117 Ų | 117 | 55.5 Ų | 55.5 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -31 | -175.6 | -73.6 | 51.7 | 0 | 0 | 0 | 112.6 | D796 | D796-N798 PolarHBondContact O-N 2.94Å; D796-N798 WeakPolarHBondContact OD1-CA 3.22Å; D796-N798 PolarHBondContact OD1-N 2.86Å |
| 799 | S | 92.7 | Very high | 93.4 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -5.4 | -179.8 | 71.4 | 0 | 0 | 0 | 0 | 115.2 | V764 D796 T801 | V764-S799 VanDerWaalsContact CG1-O 3.31Å; V764-S799 WeakPolarHBondContact CG1-O 3.42Å; D796-S799 WeakPolarHBondContact CB-OG 3.47Å; D796-S799 PolarHBondContact OD1-N 2.89Å; D796-S799 PolarHBondContact OD1-OG 3.07Å; S799-T801 PolarHBondContact O-N 3.09Å; S799-T801 VanDerWaalsContact O-N 3.1Å; S799-T801 PolarHBondContact OG-OG1 3.4Å |
| 800 | G | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | 66.2 | 10.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V765 D796 L802 | V765-G800 WeakPolarHBondContact CG2-O 3.31Å; V765-G800 PolarHBondContact N-O 2.95Å; D796-G800 WeakPolarHBondContact O-CA 3.4Å; D796-G800 PolarHBondContact O-N 3.46Å; G800-L802 WeakPolarHBondContact O-CD1 3.19Å; G800-L802 PolarHBondContact O-N 2.87Å | ||
| 801 | T | 96.2 | Very high | 93 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120.3 | -175.4 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | E761 V764 I795 D796 S799 R803 | E761-T801 HydrophobicContact CG-CG2 3.72Å; E761-T801 VanDerWaalsContact OE2-CG2 3.29Å; E761-T801 WeakPolarHBondContact OE2-CG2 3.27Å; V764-T801 HydrophobicContact CG2-CG2 4.23Å; I795-T801 CarbonylContact C-O 3.57Å; I795-T801 WeakPolarHBondContact CA-O 3.35Å; D796-T801 PolarHBondContact N-O 2.85Å; S799-T801 PolarHBondContact O-N 3.09Å; S799-T801 VanDerWaalsContact O-N 3.1Å; S799-T801 PolarHBondContact OG-OG1 3.4Å; T801-R803 HydrophobicContact CG2-CG 4.25Å |
| 802 | L | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 136.2 | 174.4 | -69.2 | 97.7 | 0 | 0 | 0 | 111.9 | F750 I762 G763 V765 L783 I793 T794 I795 G800 V852 | F750-L802 HydrophobicContact CE2-CD1 4.11Å; I762-L802 HydrophobicContact CB-CB 4.38Å; I762-L802 PolarHBondContact N-O 2.87Å; G763-L802 PolarHBondContact O-N 2.91Å; V765-L802 HydrophobicContact CB-CD1 4.41Å; V765-L802 HydrophobicContact CG1-CD1 3.71Å; V765-L802 HydrophobicContact CG2-CD1 4.04Å; L783-L802 HydrophobicContact CD1-CD2 4.39Å; I793-L802 HydrophobicContact CG2-CB 4.46Å; I793-L802 HydrophobicContact CG2-CD2 3.89Å; T794-L802 CarbonylContact O-C 2.97Å; T794-L802 VanDerWaalsContact O-CA 3.27Å; T794-L802 WeakPolarHBondContact O-CA 3.29Å; I795-L802 HydrophobicContact CB-CG 4.41Å; I795-L802 HydrophobicContact CD1-CD1 4.2Å; I795-L802 HydrophobicContact CD1-CG 4.32Å; I795-L802 HydrophobicContact CG1-CD1 4.45Å; I795-L802 HydrophobicContact CG1-CG 4.22Å; G800-L802 WeakPolarHBondContact O-CD1 3.19Å; G800-L802 PolarHBondContact O-N 2.87Å; L802-V852 HydrophobicContact CD2-CG1 4.02Å |
| 803 | R | 95.7 | Very high | 92.4 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.1 | 179.7 | -58.7 | -165.9 | 170.4 | 146.3 | -2.7 | 112.6 | T760 E761 T794 T801 | T760-R803 CarbonylContact O-C 3.59Å; T760-R803 VanDerWaalsContact O-CA 3.23Å; T760-R803 WeakPolarHBondContact O-CA 3Å; E761-R803 HydrophobicContact CG-CG 4.49Å; E761-R803 IonicContact OE2-CZ 3.71Å; E761-R803 IonicContact OE2-NE 3.65Å; E761-R803 PolarHBondContact OE2-NE 3.39Å; E761-R803 IonicContact OE2-NH2 2.77Å; E761-R803 PolarHBondContact OE2-NH2 2.83Å; T794-R803 PolarHBondContact N-O 2.74Å; T794-R803 PolarHBondContact O-N 2.75Å; T794-R803 PolarHBondContact OG1-O 3.01Å; T794-R803 VanDerWaalsContact OG1-O 3.07Å; T801-R803 HydrophobicContact CG2-CG 4.25Å |
| 804 | T | 95.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144.5 | 170.4 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | V752 P757 G759 T760 I762 | V752-T804 HydrophobicContact CG2-CG2 4.22Å; P757-T804 PolarHBondContact O-OG1 3.36Å; G759-T804 WeakPolarHBondContact CA-O 3.4Å; G759-T804 PolarHBondContact N-O 2.82Å; G759-T804 PolarHBondContact N-OG1 3.1Å; G759-T804 VanDerWaalsContact N-OG1 3.13Å; T760-T804 PolarHBondContact N-OG1 2.72Å; T760-T804 PolarHBondContact O-N 3.48Å; I762-T804 HydrophobicContact CD1-CG2 3.72Å; I762-T804 HydrophobicContact CG1-CG2 3.92Å |
| 805 | R | 93.4 | Very high | 92 | Very high | 135 Ų | 135 | 65.5 Ų | 65.5 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -90.2 | -29.5 | 168.5 | -68 | 175.9 | -175 | -107.6 | 9.9 | 112.3 | L790 K791 L792 I793 T794 | L790-R805 PolarHBondContact O-NE 2.84Å; L790-R805 PolarHBondContact O-NH2 3.27Å; K791-R805 VanDerWaalsContact C-CD 3.5Å; K791-R805 VanDerWaalsContact O-CD 3.27Å; K791-R805 WeakPolarHBondContact O-CD 3.38Å; L792-R805 WeakPolarHBondContact O-CB 3.29Å; L792-R805 PolarHBondContact O-N 2.79Å; I793-R805 PolarHBondContact O-NE 3.26Å; I793-R805 PolarHBondContact O-NH2 3.4Å; T794-R805 HydrophobicContact CG2-CG 3.89Å; T794-R805 VanDerWaalsContact CG2-CZ 3.48Å |
| 806 | R | 91.6 | Very high | 91.9 | Very high | 133 Ų | 133 | 64 Ų | 64 | 50% | 0.502 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -159.2 | 164.4 | -178 | 61.3 | -179.8 | -179.9 | 91.2 | -8.4 | 109.8 | L792 | L792-R806 HydrophobicContact CD2-CG 3.96Š|
| 807 | P | 91.3 | Very high | 91.8 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | trans | -56.4 | 150.3 | 171.9 | -24.7 | 34.8 | 0 | 0 | 0 | 113.4 | A756 | A756-P807 VanDerWaalsContact O-CA 3.25Å; A756-P807 WeakPolarHBondContact O-CA 3.42Å; A756-P807 WeakPolarHBondContact O-CB 3.3Å | ||
| 808 | I | 91.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | trans | -125.1 | 139 | 177.9 | -49.4 | 158.1 | 0 | 0 | 0 | 106.7 | V752 E754 N755 L792 I793 R813 I816 I856 | V752-I808 HydrophobicContact CG1-CD1 4.44Å; E754-I808 CarbonylContact C-O 3.5Å; E754-I808 WeakPolarHBondContact CA-O 3.48Å; N755-I808 PolarHBondContact N-O 2.9Å; L792-I808 HydrophobicContact CD2-CG1 4.21Å; I793-I808 HydrophobicContact CD1-CD1 4.45Å; I808-R813 HydrophobicContact CG2-CB 4.34Å; I808-I816 HydrophobicContact CD1-CD1 3.73Å; I808-I856 HydrophobicContact CB-CG1 4.26Å; I808-I856 HydrophobicContact CD1-CG1 4.41Å; I808-I856 HydrophobicContact CG2-CD1 4.33Å; I808-I856 HydrophobicContact CG2-CG1 3.77Å | ||
| 809 | D | 89.6 | Confident | 91.9 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 38% | 0.38 | 29% | 0.288 | S | S | . | . | trans | -112.7 | 129.5 | -176.9 | 141.3 | 138.5 | 0 | 0 | 0 | 106.6 | S812 R813 | D809-S812 PolarHBondContact O-N 2.67Å; D809-S812 PolarHBondContact O-OG 2.74Å; D809-S812 WeakPolarHBondContact OD2-CA 3.08Å; D809-S812 WeakPolarHBondContact OD2-CB 3.29Å; D809-S812 PolarHBondContact OD2-N 2.89Å; D809-S812 PolarHBondContact OD2-OG 3.04Å; D809-R813 PolarHBondContact O-N 3.01Å | ||
| 810 | R | 88.4 | Confident | 91.9 | Very high | 46 Ų | 46 | 53 Ų | 53 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -39.4 | -166.6 | -170 | -163.7 | 69.3 | 144.2 | -5.8 | 111.4 | E754 S812 R813 S814 I856 N858 | E754-R810 HydrophobicContact CB-CB 4.31Å; E754-R810 VanDerWaalsContact OE2-CB 3.28Å; E754-R810 WeakPolarHBondContact OE2-CB 3.48Å; E754-R810 PolarHBondContact OE2-N 2.69Å; R810-S812 PolarHBondContact O-N 3.42Å; R810-R813 CarbonylContact O-C 3.53Å; R810-R813 VanDerWaalsContact O-C 3.25Å; R810-R813 PolarHBondContact O-N 2.91Å; R810-S814 PolarHBondContact O-N 2.82Å; R810-S814 VanDerWaalsContact O-N 3.08Å; R810-I856 HydrophobicContact CB-CG2 3.8Å; R810-I856 HydrophobicContact CG-CB 4.44Å; R810-I856 HydrophobicContact CG-CG2 4.06Å; R810-N858 PolarHBondContact NE-OD1 2.82Å; R810-N858 VanDerWaalsContact NE-OD1 3.11Å; R810-N858 PolarHBondContact NH2-OD1 3.25Å |
| 811 | E | 85.4 | Confident | 91.9 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 42% | 0.416 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.5 | -177.9 | -77.7 | 49 | -114.6 | 0 | 0 | 111.7 | ||
| 812 | S | 86.9 | Confident | 91.7 | Very high | 92 Ų | 92 | 54 Ų | 54 | 64% | 0.643 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -31.6 | 169.1 | 67.4 | 0 | 0 | 0 | 0 | 114 | D809 R810 | D809-S812 PolarHBondContact O-N 2.67Å; D809-S812 PolarHBondContact O-OG 2.74Å; D809-S812 WeakPolarHBondContact OD2-CA 3.08Å; D809-S812 WeakPolarHBondContact OD2-CB 3.29Å; D809-S812 PolarHBondContact OD2-N 2.89Å; D809-S812 PolarHBondContact OD2-OG 3.04Å; R810-S812 PolarHBondContact O-N 3.42Å |
| 813 | R | 85.9 | Confident | 91.4 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | trans | -159.1 | 90.6 | -176.7 | -157 | 176.7 | -163 | 106 | -2.5 | 113.6 | D789 I808 D809 R810 S815 I816 I856 | D789-R813 IonicContact OD1-CZ 2.74Å; D789-R813 IonicContact OD1-NE 2.69Å; D789-R813 PolarHBondContact OD1-NE 3.44Å; D789-R813 IonicContact OD1-NH2 2.65Å; D789-R813 PolarHBondContact OD1-NH2 3.17Å; D789-R813 IonicContact OD2-CZ 2.75Å; D789-R813 IonicContact OD2-NE 3.84Å; D789-R813 IonicContact OD2-NH2 3.79Å; D789-R813 PolarHBondContact OD2-NH2 3.16Å; I808-R813 HydrophobicContact CG2-CB 4.34Å; D809-R813 PolarHBondContact O-N 3.01Å; R810-R813 CarbonylContact O-C 3.53Å; R810-R813 VanDerWaalsContact O-C 3.25Å; R810-R813 PolarHBondContact O-N 2.91Å; R813-S815 VanDerWaalsContact C-N 3.33Å; R813-S815 WeakPolarHBondContact CG-O 3.46Å; R813-S815 PolarHBondContact O-N 2.63Å; R813-I816 HydrophobicContact CG-CG1 4.44Å; R813-I856 WeakPolarHBondContact O-CD1 3.48Å; R813-I856 WeakPolarHBondContact O-CG1 3.46Å | ||
| 814 | S | 89.3 | Confident | 91 | Very high | 73 Ų | 73 | 52 Ų | 52 | 51% | 0.51 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -71.3 | -18.4 | 179.6 | 58.6 | 0 | 0 | 0 | 0 | 115.5 | R810 I856 | R810-S814 PolarHBondContact O-N 2.82Å; R810-S814 VanDerWaalsContact O-N 3.08Å; S814-I856 PolarHBondContact O-N 3.37Å |
| 815 | S | 92.5 | Very high | 90.7 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 42% | 0.42 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 155.9 | 173.8 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | R813 I854 | R813-S815 VanDerWaalsContact C-N 3.33Å; R813-S815 WeakPolarHBondContact CG-O 3.46Å; R813-S815 PolarHBondContact O-N 2.63Å; S815-I854 CarbonylContact C-O 3.6Å; S815-I854 WeakPolarHBondContact CA-O 3.45Å |
| 816 | I | 93.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.5 | 178 | -68.2 | -179.4 | 0 | 0 | 0 | 108.4 | D789 L792 I793 I808 R813 L818 V853 I854 I856 | D789-I816 HydrophobicContact CB-CG2 3.88Å; D789-I816 VanDerWaalsContact OD1-CG1 3.31Å; D789-I816 WeakPolarHBondContact OD1-CG1 3.44Å; L792-I816 HydrophobicContact CB-CD1 3.99Å; L792-I816 HydrophobicContact CD1-CD1 3.65Å; L792-I816 HydrophobicContact CD1-CG1 4.41Å; L792-I816 HydrophobicContact CG-CD1 4.44Å; I793-I816 HydrophobicContact CD1-CD1 3.93Å; I793-I816 HydrophobicContact CG1-CD1 4.22Å; I793-I816 HydrophobicContact CG1-CG2 4.02Å; I808-I816 HydrophobicContact CD1-CD1 3.73Å; R813-I816 HydrophobicContact CG-CG1 4.44Å; I816-L818 HydrophobicContact CG2-CD1 4.11Å; I816-L818 HydrophobicContact CG2-CG 4.1Å; I816-V853 CarbonylContact O-C 3.59Å; I816-V853 WeakPolarHBondContact O-CA 3.42Å; I816-I854 HydrophobicContact CB-CB 4.22Å; I816-I854 HydrophobicContact CG2-CD1 4.2Å; I816-I854 PolarHBondContact N-O 3.13Å; I816-I854 PolarHBondContact O-N 2.89Å; I816-I856 HydrophobicContact CD1-CD1 4.35Å; I816-I856 HydrophobicContact CG1-CD1 4.12Å |
| 817 | S | 92.9 | Very high | 89.8 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 47% | 0.469 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.9 | 179.3 | -63 | 0 | 0 | 0 | 0 | 111.7 | ||
| 818 | L | 94.6 | Very high | 89.3 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 167.3 | -174.6 | -67.5 | 172.7 | 0 | 0 | 0 | 111.2 | L783 D789 L790 I793 I816 V852 | L783-L818 HydrophobicContact CD1-CD1 4.38Å; L783-L818 HydrophobicContact CD2-CB 3.81Å; L783-L818 HydrophobicContact CD2-CD1 3.85Å; L783-L818 HydrophobicContact CD2-CG 4.29Å; D789-L818 HydrophobicContact CB-CD2 3.75Å; D789-L818 HydrophobicContact CB-CG 4.33Å; L790-L818 HydrophobicContact CD2-CD2 3.83Å; L790-L818 HydrophobicContact CG-CD2 4.18Å; I793-L818 HydrophobicContact CB-CD1 3.72Å; I793-L818 HydrophobicContact CG1-CD1 3.79Å; I793-L818 HydrophobicContact CG2-CD1 3.95Å; I816-L818 HydrophobicContact CG2-CD1 4.11Å; I816-L818 HydrophobicContact CG2-CG 4.1Å; L818-V852 PolarHBondContact N-O 2.86Å; L818-V852 PolarHBondContact O-N 2.95Å |
| 819 | I | 93.9 | Very high | 88.2 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 28% | 0.282 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.5 | 172 | -59.8 | 172.7 | 0 | 0 | 0 | 107.5 | L783 R784 E849 A850 | L783-I819 WeakPolarHBondContact CD2-O 3.36Å; R784-I819 HydrophobicContact CB-CB 4.47Å; R784-I819 PolarHBondContact N-O 2.82Å; R784-I819 PolarHBondContact O-N 3.16Å; R784-I819 VanDerWaalsContact O-O 3.04Å; I819-E849 HydrophobicContact CG2-CB 3.86Å; I819-E849 HydrophobicContact CG2-CG 3.94Å; I819-A850 CarbonylContact C-O 3.29Å; I819-A850 WeakPolarHBondContact CA-O 3.41Å |
| 820 | V | 93.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.2 | 168.7 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | F743 V765 Y781 N782 L783 I795 E849 A850 V852 | F743-V820 HydrophobicContact CE1-CB 4.37Å; F743-V820 HydrophobicContact CE1-CG1 4.15Å; F743-V820 WeakPolarHBondContact CE2-O 3.47Å; F743-V820 HydrophobicContact CZ-CB 3.98Å; F743-V820 HydrophobicContact CZ-CG1 3.77Å; V765-V820 HydrophobicContact CG2-CB 4.33Å; V765-V820 HydrophobicContact CG2-CG1 3.98Å; V765-V820 HydrophobicContact CG2-CG2 4.14Å; Y781-V820 HydrophobicContact CD1-CG1 4.24Å; N782-V820 CarbonylContact O-C 3.57Å; N782-V820 WeakPolarHBondContact O-CA 3.5Å; N782-V820 WeakPolarHBondContact O-CG1 3Å; L783-V820 HydrophobicContact CD2-CG2 3.81Å; L783-V820 HydrophobicContact CG-CG2 4.32Å; I795-V820 HydrophobicContact CD1-CB 4.43Å; I795-V820 HydrophobicContact CD1-CG1 3.54Å; I795-V820 HydrophobicContact CD1-CG2 3.91Å; V820-E849 WeakPolarHBondContact O-CA 3.46Å; V820-A850 PolarHBondContact N-O 2.92Å; V820-A850 PolarHBondContact O-N 2.84Å; V820-V852 HydrophobicContact CG2-CG2 3.62Å |
| 821 | E | 92.1 | Very high | 85 | Confident | 37 Ų | 37 | 57 Ų | 57 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.9 | 173.4 | -67.7 | 169.1 | -178.1 | 0 | 0 | 109.9 | Y781 N782 R784 T848 E849 | Y781-E821 WeakPolarHBondContact CA-O 3.37Å; N782-E821 HydrophobicContact CB-CB 4.37Å; N782-E821 PolarHBondContact N-O 3.01Å; N782-E821 PolarHBondContact O-N 3.04Å; R784-E821 WeakPolarHBondContact CD-OE1 3.45Å; R784-E821 IonicContact CZ-OE1 2.71Å; R784-E821 IonicContact NE-OE1 3.93Å; R784-E821 IonicContact NH1-OE1 2.65Å; R784-E821 PolarHBondContact NH1-OE1 3.43Å; E821-T848 CarbonylContact C-O 3.45Å; E821-T848 VanDerWaalsContact CA-O 3.29Å; E821-T848 WeakPolarHBondContact CA-O 3.32Å; E821-E849 HydrophobicContact CG-CG 4.12Å |
| 822 | A | 91.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P741 F743 A767 V779 R780 Y781 G847 T848 | P741-A822 HydrophobicContact CB-CB 4.17Å; F743-A822 HydrophobicContact CD2-CB 4.24Å; F743-A822 HydrophobicContact CE1-CB 4.29Å; F743-A822 HydrophobicContact CE2-CB 3.48Å; F743-A822 VanDerWaalsContact CE2-CB 3.48Å; F743-A822 HydrophobicContact CZ-CB 3.51Å; A767-A822 HydrophobicContact CB-CB 3.9Å; V779-A822 HydrophobicContact CG1-CB 3.67Å; R780-A822 WeakPolarHBondContact O-CA 3.5Å; Y781-A822 HydrophobicContact CD1-CB 4.43Å; Y781-A822 HydrophobicContact CE1-CB 4.5Å; A822-G847 CarbonylContact O-C 3.56Å; A822-G847 WeakPolarHBondContact O-CA 3.5Å; A822-T848 PolarHBondContact N-O 2.96Å; A822-T848 PolarHBondContact O-N 2.86Å; A822-T848 VanDerWaalsContact O-N 3.16Å |
| 823 | E | 89.6 | Confident | 81.2 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.9 | -176.9 | 67.6 | -173.5 | 158.5 | 0 | 0 | 112.1 | V779 R780 N782 R797 | V779-E823 CarbonylContact C-O 3.57Å; V779-E823 WeakPolarHBondContact CA-O 3.44Å; R780-E823 HydrophobicContact CB-CG 3.83Å; R780-E823 PolarHBondContact N-O 2.85Å; R780-E823 PolarHBondContact O-N 2.99Å; N782-E823 PolarHBondContact ND2-OE1 2.93Å; R797-E823 IonicContact CZ-OE1 3.06Å; R797-E823 IonicContact NE-OE1 2.87Å; R797-E823 IonicContact NH2-OE1 3.84Å; R797-E823 PolarHBondContact NH2-OE1 2.91Å |
| 824 | N | 88.8 | Confident | 79.1 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 8% | 0.08 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 157.2 | 173.3 | -57.1 | 79.9 | 0 | 0 | 0 | 112.6 | N737 P741 D769 N776 R778 V826 I828 | N737-N824 PolarHBondContact ND2-ND2 2.97Å; N737-N824 VanDerWaalsContact ND2-ND2 3.16Å; P741-N824 WeakPolarHBondContact CD-OD1 3.49Å; D769-N824 PolarHBondContact OD2-ND2 3.47Å; N776-N824 PolarHBondContact O-ND2 2.76Å; R778-N824 CarbonylContact O-C 3.52Å; R778-N824 VanDerWaalsContact O-CA 3.29Å; R778-N824 WeakPolarHBondContact O-CA 3.5Å; N824-V826 VanDerWaalsContact C-N 3.31Å; N824-V826 VanDerWaalsContact CB-O 3.27Å; N824-V826 WeakPolarHBondContact CB-O 2.94Å; N824-I828 WeakPolarHBondContact OD1-CD1 3.37Å |
| 825 | E | 87.3 | Confident | 76.3 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -73.8 | -21 | 165.2 | -67.2 | -146.8 | 117.4 | 0 | 0 | 113.5 | R778 R780 | R778-E825 HydrophobicContact CB-CB 4.03Å; R778-E825 HydrophobicContact CB-CG 3.59Å; R778-E825 WeakPolarHBondContact CD-OE2 3.38Å; R778-E825 IonicContact CZ-OE2 3.31Å; R778-E825 IonicContact NE-OE2 3.77Å; R778-E825 IonicContact NH1-OE2 2.72Å; R778-E825 PolarHBondContact NH1-OE2 3.07Å; R778-E825 PolarHBondContact O-N 2.9Å; R780-E825 HydrophobicContact CG-CG 4.14Å; R780-E825 IonicContact CZ-OE1 2.7Å; R780-E825 IonicContact NE-OE1 3.56Å; R780-E825 PolarHBondContact NE-OE1 3.49Å; R780-E825 IonicContact NH2-OE1 2.7Å; R780-E825 PolarHBondContact NH2-OE1 2.91Å |
| 826 | V | 84.4 | Confident | 73.7 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -115.1 | 147.9 | -174.9 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | N737 L775 N824 | N737-V826 HydrophobicContact CB-CG1 4.35Å; N737-V826 PolarHBondContact OD1-O 2.94Å; L775-V826 HydrophobicContact CD1-CG2 4.39Å; L775-V826 HydrophobicContact CD2-CG2 4.5Å; L775-V826 HydrophobicContact CG-CG2 3.91Å; N824-V826 VanDerWaalsContact C-N 3.31Å; N824-V826 VanDerWaalsContact CB-O 3.27Å; N824-V826 WeakPolarHBondContact CB-O 2.94Å |
| 827 | P | 82.1 | Confident | 71.2 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 69% | 0.688 | 42% | 0.419 | S | S | * | . | trans | -74 | 130 | 175.6 | -17.1 | 32.3 | 0 | 0 | 0 | 113.4 | N737 H829 | N737-P827 VanDerWaalsContact OD1-C 3.3Å; N737-P827 PolarHBondContact OD1-O 3.26Å; P827-H829 PolarHBondContact O-N 3.28Å | ||
| 828 | I | 81.2 | Confident | 68.6 | Low | 36 Ų | 36 | 81.4 Ų | 81.4 | 19% | 0.185 | 44% | 0.436 | C | S | . | . | trans | -68.2 | 120.3 | -176.6 | -49.1 | 175.9 | 0 | 0 | 0 | 112.1 | N737 N739 V740 N824 R830 I846 | N737-I828 CarbonylContact O-C 3.51Å; N737-I828 WeakPolarHBondContact O-CA 3.38Å; N737-I828 WeakPolarHBondContact O-CG2 3.23Å; N737-I828 WeakPolarHBondContact OD1-CA 3.36Å; N737-I828 PolarHBondContact OD1-N 2.99Å; N739-I828 WeakPolarHBondContact O-CD1 3.41Å; V740-I828 HydrophobicContact CG1-CD1 3.48Å; V740-I828 VanDerWaalsContact CG1-CD1 3.48Å; N824-I828 WeakPolarHBondContact OD1-CD1 3.37Å; I828-R830 VanDerWaalsContact C-N 3.27Å; I828-R830 HydrophobicContact CG2-CG 4.41Å; I828-R830 PolarHBondContact O-N 2.67Å; I828-I846 HydrophobicContact CD1-CG2 3.74Å | ||
| 829 | H | 69.1 | Low | 66 | Low | 140 Ų | 140 | 87.8 Ų | 87.8 | 65% | 0.648 | 46% | 0.463 | S | S | * | . | trans | -81.1 | 60.9 | -179.8 | -96.3 | -94.9 | 0 | 0 | 0 | 112.5 | N737 P827 S831 | N737-H829 PolarHBondContact O-N 3.03Å; P827-H829 PolarHBondContact O-N 3.28Å; H829-S831 PolarHBondContact O-N 2.94Å; H829-S831 VanDerWaalsContact O-N 3.09Å | ||
| 830 | R | 59.1 | Low | 63.2 | Low | 142 Ų | 142 | 93 Ų | 93 | 54% | 0.536 | 49% | 0.491 | S | S | . | . | trans | -47.3 | 119.1 | 176.6 | -66.5 | -172.6 | 178.6 | -161.6 | -1.1 | 111.9 | I828 | I828-R830 VanDerWaalsContact C-N 3.27Å; I828-R830 HydrophobicContact CG2-CG 4.41Å; I828-R830 PolarHBondContact O-N 2.67Å | ||
| 831 | S | 51.9 | Low | 60.5 | Low | 40 Ų | 40 | 99.5 Ų | 99.5 | 28% | 0.28 | 53% | 0.532 | S | S | . | . | trans | -63 | 144.3 | -174.5 | 44.8 | 0 | 0 | 0 | 0 | 112.2 | H829 S833 | H829-S831 PolarHBondContact O-N 2.94Å; H829-S831 VanDerWaalsContact O-N 3.09Å; S831-S833 PolarHBondContact O-N 3.02Å | ||
| 832 | P | 47.1 | Very low | 57.9 | Low | 119 Ų | 119 | 103.9 Ų | 103.9 | 77% | 0.773 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -5.3 | -166.1 | -25 | 35.8 | 0 | 0 | 0 | 116.8 | A834 | P832-A834 VanDerWaalsContact C-N 3.29Å; P832-A834 PolarHBondContact O-N 3.25Å |
| 833 | S | 44.5 | Very low | 55.3 | Low | 112 Ų | 112 | 109 Ų | 109 | 78% | 0.783 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -22.1 | -173.6 | -53.4 | 0 | 0 | 0 | 0 | 114 | S831 R835 | S831-S833 PolarHBondContact O-N 3.02Å; S833-R835 VanDerWaalsContact C-N 3.27Å; S833-R835 PolarHBondContact O-N 3.07Å |
| 834 | A | 41.2 | Very low | 52.8 | Low | 95 Ų | 95 | 113.8 Ų | 113.8 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | trans | -83.2 | 55.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P832 | P832-A834 VanDerWaalsContact C-N 3.29Å; P832-A834 PolarHBondContact O-N 3.25Å | ||
| 835 | R | 32.3 | Very low | 50.7 | Low | 228 Ų | 228 | 119.9 Ų | 119.9 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | trans | -109.1 | 77.6 | 172.5 | -81.9 | -167.8 | 173.6 | -172.2 | 0.9 | 112.6 | S833 | S833-R835 VanDerWaalsContact C-N 3.27Å; S833-R835 PolarHBondContact O-N 3.07Å | ||
| 836 | N | 37.9 | Very low | 49 | Very low | 148 Ų | 148 | 120.4 Ų | 120.4 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | trans | -160 | 157 | 150.8 | -101.4 | -13.4 | 0 | 0 | 0 | 111.2 | ||||
| 837 | D | 39.6 | Very low | 47.6 | Very low | 119 Ų | 119 | 120 Ų | 120 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 62.3 | 89.3 | 159.5 | -53.8 | -31.4 | 0 | 0 | 0 | 120.9 | F839 | D837-F839 PolarHBondContact O-N 2.85Å; D837-F839 VanDerWaalsContact O-N 3.15Å |
| 838 | N | 39.2 | Very low | 47.4 | Very low | 154 Ų | 154 | 116.8 Ų | 116.8 | 82% | 0.824 | 62% | 0.621 | S | S | * | * | S | Bend | 63.2 | 24.4 | 128.3 | -64.6 | -25 | 0 | 0 | 0 | 121.8 | |||
| 839 | F | 38.9 | Very low | 47.8 | Very low | 140 Ų | 140 | 119.9 Ų | 119.9 | 61% | 0.614 | 64% | 0.635 | S | S | * | * | trans | -109.3 | 22 | 174.7 | -91.5 | -86.6 | 0 | 0 | 0 | 116.8 | D837 T841 I842 | D837-F839 PolarHBondContact O-N 2.85Å; D837-F839 VanDerWaalsContact O-N 3.15Å; F839-T841 PolarHBondContact O-N 2.96Å; F839-I842 HydrophobicContact CD1-CD1 4.47Å; F839-I842 HydrophobicContact CE1-CD1 4.35Å | ||
| 840 | N | 34.8 | Very low | 48.8 | Very low | 164 Ų | 164 | 113.4 Ų | 113.4 | 88% | 0.877 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 23 | -172.9 | -71.7 | -7.8 | 0 | 0 | 0 | 117.1 | ||
| 841 | T | 37.7 | Very low | 50.4 | Low | 138 Ų | 138 | 108.2 Ų | 108.2 | 85% | 0.847 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | 0.9 | -178.6 | -20.2 | 0 | 0 | 0 | 0 | 115.1 | F839 | F839-T841 PolarHBondContact O-N 2.96Š|
| 842 | I | 38.1 | Very low | 52.4 | Low | 128 Ų | 128 | 106.3 Ų | 106.3 | 66% | 0.656 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -26 | -172.3 | -59.3 | 179.5 | 0 | 0 | 0 | 112.7 | F839 N844 | F839-I842 HydrophobicContact CD1-CD1 4.47Å; F839-I842 HydrophobicContact CE1-CD1 4.35Å; I842-N844 VanDerWaalsContact C-N 3.34Å; I842-N844 PolarHBondContact O-N 3.08Å; I842-N844 VanDerWaalsContact O-N 3.13Å |
| 843 | M | 36.5 | Very low | 54.7 | Low | 109 Ų | 109 | 102.7 Ų | 102.7 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | 36.1 | -169.8 | -84.6 | -75.6 | 179.5 | 0 | 0 | 115.8 | ||
| 844 | N | 37.5 | Very low | 57 | Low | 158 Ų | 158 | 97.3 Ų | 97.3 | 85% | 0.845 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1 | 177.4 | -99.6 | 24.1 | 0 | 0 | 0 | 114.8 | I842 | I842-N844 VanDerWaalsContact C-N 3.34Å; I842-N844 PolarHBondContact O-N 3.08Å; I842-N844 VanDerWaalsContact O-N 3.13Å |
| 845 | H | 43.9 | Very low | 59.5 | Low | 142 Ų | 142 | 95.5 Ų | 95.5 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | trans | -112.4 | 101.2 | 165.9 | -71.7 | -92.5 | 0 | 0 | 0 | 107.6 | ||||
| 846 | I | 51.3 | Low | 62.4 | Low | 72 Ų | 72 | 84.9 Ų | 84.9 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | trans | -106.4 | 69 | 175.5 | -44.7 | 170.1 | 0 | 0 | 0 | 107.7 | V740 I828 | V740-I846 HydrophobicContact CG1-CG2 4.02Å; I828-I846 HydrophobicContact CD1-CG2 3.74Å | ||
| 847 | G | 55.7 | Low | 64.8 | Low | 29 Ų | 29 | 81.1 Ų | 81.1 | 30% | 0.299 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -139.1 | 149.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A822 | A822-G847 CarbonylContact O-C 3.56Å; A822-G847 WeakPolarHBondContact O-CA 3.5Å |
| 848 | T | 78.6 | Confident | 66.9 | Low | 39 Ų | 39 | 78.5 Ų | 78.5 | 24% | 0.239 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 154 | 171.7 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | V740 P741 F743 E821 A822 | V740-T848 HydrophobicContact CG2-CG2 4.44Å; P741-T848 WeakPolarHBondContact O-CB 3.27Å; P741-T848 WeakPolarHBondContact O-CG2 3.43Å; P741-T848 PolarHBondContact O-OG1 2.89Å; F743-T848 WeakPolarHBondContact CE2-O 3.34Å; E821-T848 CarbonylContact C-O 3.45Å; E821-T848 VanDerWaalsContact CA-O 3.29Å; E821-T848 WeakPolarHBondContact CA-O 3.32Å; A822-T848 PolarHBondContact N-O 2.96Å; A822-T848 PolarHBondContact O-N 2.86Å; A822-T848 VanDerWaalsContact O-N 3.16Å |
| 849 | E | 89.1 | Confident | 68.9 | Low | 102 Ų | 102 | 75.3 Ų | 75.3 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.5 | 177.1 | -72.1 | -176.4 | 178.5 | 0 | 0 | 109.4 | R784 I819 V820 E821 | R784-E849 IonicContact CZ-OE1 2.75Å; R784-E849 IonicContact NH1-OE1 2.67Å; R784-E849 PolarHBondContact NH1-OE1 2.87Å; R784-E849 IonicContact NH2-OE1 2.73Å; I819-E849 HydrophobicContact CG2-CB 3.86Å; I819-E849 HydrophobicContact CG2-CG 3.94Å; V820-E849 WeakPolarHBondContact O-CA 3.46Å; E821-E849 HydrophobicContact CG-CG 4.12Å |
| 850 | A | 90.8 | Very high | 70.7 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 3% | 0.025 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | F743 Y748 I819 V820 | F743-A850 HydrophobicContact CB-CB 3.86Å; F743-A850 HydrophobicContact CD1-CB 3.89Å; F743-A850 HydrophobicContact CD2-CB 3.45Å; F743-A850 VanDerWaalsContact CD2-CB 3.45Å; F743-A850 HydrophobicContact CE1-CB 4.26Å; F743-A850 HydrophobicContact CE2-CB 3.84Å; F743-A850 HydrophobicContact CG-CB 3.47Å; F743-A850 VanDerWaalsContact CG-CB 3.47Å; F743-A850 HydrophobicContact CZ-CB 4.23Å; Y748-A850 HydrophobicContact CD2-CB 4.31Å; Y748-A850 HydrophobicContact CE2-CB 4.09Å; I819-A850 CarbonylContact C-O 3.29Å; I819-A850 WeakPolarHBondContact CA-O 3.41Å; V820-A850 PolarHBondContact N-O 2.92Å; V820-A850 PolarHBondContact O-N 2.84Å |
| 851 | S | 92.9 | Very high | 72.9 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 23% | 0.231 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 143.9 | 175.9 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | T746 H747 Y748 | T746-S851 PolarHBondContact O-N 3.03Å; T746-S851 PolarHBondContact O-OG 2.82Å; T746-S851 VanDerWaalsContact O-OG 3.08Å; H747-S851 WeakPolarHBondContact CA-O 3.39Å; H747-S851 WeakPolarHBondContact CA-OG 3.38Å; H747-S851 PolarHBondContact CD2-OG 2.97Å; Y748-S851 PolarHBondContact N-O 2.97Å |
| 852 | V | 93.7 | Very high | 74.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 118.4 | 175.1 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | Y748 F750 V765 L802 L818 V820 I854 | Y748-V852 HydrophobicContact CD2-CG2 4.41Å; Y748-V852 WeakPolarHBondContact O-CA 3.49Å; F750-V852 HydrophobicContact CD2-CG1 3.65Å; F750-V852 HydrophobicContact CE2-CG1 3.73Å; V765-V852 HydrophobicContact CG1-CG2 3.85Å; L802-V852 HydrophobicContact CD2-CG1 4.02Å; L818-V852 PolarHBondContact N-O 2.86Å; L818-V852 PolarHBondContact O-N 2.95Å; V820-V852 HydrophobicContact CG2-CG2 3.62Å; V852-I854 HydrophobicContact CG1-CG1 4.11Å |
| 853 | V | 93.7 | Very high | 76.9 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 26% | 0.261 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131 | 172.9 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | Y748 L749 F750 I816 | Y748-V853 PolarHBondContact O-N 3.04Å; L749-V853 WeakPolarHBondContact CA-O 3.47Å; L749-V853 HydrophobicContact CD2-CB 3.87Å; L749-V853 HydrophobicContact CD2-CG2 4.37Å; F750-V853 PolarHBondContact N-O 3.07Å; I816-V853 CarbonylContact O-C 3.59Å; I816-V853 WeakPolarHBondContact O-CA 3.42Å |
| 854 | I | 94.6 | Very high | 79.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115 | -179.4 | -51.8 | 163.1 | 0 | 0 | 0 | 107.2 | F750 V752 I762 I793 S815 I816 V852 | F750-I854 HydrophobicContact CB-CG1 4.49Å; F750-I854 CarbonylContact O-C 3.55Å; F750-I854 WeakPolarHBondContact O-CA 3.28Å; V752-I854 HydrophobicContact CB-CG2 4.43Å; V752-I854 HydrophobicContact CG1-CG2 3.88Å; I762-I854 HydrophobicContact CD1-CD1 4.09Å; I762-I854 HydrophobicContact CG2-CD1 4.13Å; I762-I854 HydrophobicContact CG2-CG1 4.04Å; I762-I854 HydrophobicContact CG2-CG2 3.73Å; I793-I854 HydrophobicContact CD1-CD1 3.76Å; I793-I854 HydrophobicContact CG1-CD1 3.85Å; I793-I854 HydrophobicContact CG2-CD1 4.17Å; S815-I854 CarbonylContact C-O 3.6Å; S815-I854 WeakPolarHBondContact CA-O 3.45Å; I816-I854 HydrophobicContact CB-CB 4.22Å; I816-I854 HydrophobicContact CG2-CD1 4.2Å; I816-I854 PolarHBondContact N-O 3.13Å; I816-I854 PolarHBondContact O-N 2.89Å; V852-I854 HydrophobicContact CG1-CG1 4.11Å |
| 855 | T | 93.7 | Very high | 81.3 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 135.9 | 176.6 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | F750 E751 V752 | F750-T855 PolarHBondContact O-N 3.42Å; E751-T855 WeakPolarHBondContact CA-O 3.34Å; V752-T855 PolarHBondContact N-O 2.83Å |
| 856 | I | 92.7 | Very high | 83.2 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 120.7 | 175.8 | -68.4 | 69.7 | 0 | 0 | 0 | 108.3 | V752 E754 I808 R810 R813 S814 I816 | V752-I856 HydrophobicContact CG1-CG1 4.08Å; V752-I856 WeakPolarHBondContact O-CA 3.35Å; E754-I856 HydrophobicContact CB-CG2 3.5Å; I808-I856 HydrophobicContact CB-CG1 4.26Å; I808-I856 HydrophobicContact CD1-CG1 4.41Å; I808-I856 HydrophobicContact CG2-CD1 4.33Å; I808-I856 HydrophobicContact CG2-CG1 3.77Å; R810-I856 HydrophobicContact CB-CG2 3.8Å; R810-I856 HydrophobicContact CG-CB 4.44Å; R810-I856 HydrophobicContact CG-CG2 4.06Å; R813-I856 WeakPolarHBondContact O-CD1 3.48Å; R813-I856 WeakPolarHBondContact O-CG1 3.46Å; S814-I856 PolarHBondContact O-N 3.37Å; I816-I856 HydrophobicContact CD1-CD1 4.35Å; I816-I856 HydrophobicContact CG1-CD1 4.12Å |
| 857 | L | 88.2 | Confident | 84.7 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.9 | -176.9 | -56.5 | 175 | 0 | 0 | 0 | 111.8 | E751 V752 E754 | E751-L857 HydrophobicContact CB-CD1 4.12Å; E751-L857 HydrophobicContact CB-CD2 4.19Å; E751-L857 HydrophobicContact CB-CG 4.18Å; E751-L857 HydrophobicContact CG-CD2 4.34Å; V752-L857 PolarHBondContact O-N 2.72Å; E754-L857 PolarHBondContact N-O 3.47Å |
| 858 | N | 84 | Confident | 85.9 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 141.7 | -177.5 | -165.9 | 31 | 0 | 0 | 0 | 113.7 | E754 R810 D942 | E754-N858 WeakPolarHBondContact OE1-CA 3.39Å; R810-N858 PolarHBondContact NE-OD1 2.82Å; R810-N858 VanDerWaalsContact NE-OD1 3.11Å; R810-N858 PolarHBondContact NH2-OD1 3.25Å; N858-D942 PolarHBondContact ND2-O 3.44Å |
| 859 | L | 81.7 | Confident | 85.9 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | trans | -128.2 | 135.1 | 168.8 | -61.9 | 175.1 | 0 | 0 | 0 | 109.5 | E754 D861 | E754-L859 HydrophobicContact CG-CB 4.22Å; E754-L859 HydrophobicContact CG-CD1 3.88Å; E754-L859 HydrophobicContact CG-CG 3.99Å; E754-L859 PolarHBondContact OE1-N 2.76Å; L859-D861 PolarHBondContact O-N 3.15Å | ||
| 860 | N | 76.2 | Confident | 85.4 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | trans | -76.7 | 84.5 | -175.6 | -162.8 | 119.9 | 0 | 0 | 0 | 110.9 | D942 | N860-D942 WeakPolarHBondContact CA-OD2 3.31Å; N860-D942 HydrophobicContact CB-CB 4.43Å; N860-D942 PolarHBondContact ND2-OD2 3.01Å | ||
| 861 | D | 81.2 | Confident | 84.5 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 53% | 0.529 | 33% | 0.325 | S | S | . | . | trans | -113.5 | 0.5 | -174.8 | 89.6 | -4.2 | 0 | 0 | 0 | 116.3 | L859 D942 | L859-D861 PolarHBondContact O-N 3.15Å; D861-D942 PolarHBondContact N-OD2 3.15Å | ||
| 862 | N | 79.7 | Confident | 83.4 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 24% | 0.235 | 35% | 0.351 | C | S | . | . | trans | -95.8 | -163.2 | 176.8 | -66.3 | -89.7 | 0 | 0 | 0 | 112.2 | R941 D942 L1001 | N862-R941 HydrophobicContact CB-CB 4.02Å; N862-D942 VanDerWaalsContact CB-OD1 3.28Å; N862-D942 WeakPolarHBondContact CB-OD1 3.45Å; N862-D942 PolarHBondContact N-OD1 3.18Å; N862-D942 PolarHBondContact N-OD2 2.92Å; N862-D942 PolarHBondContact ND2-OD1 2.94Å; N862-L1001 WeakPolarHBondContact O-CD1 3.41Å; N862-L1001 WeakPolarHBondContact O-CD2 3.48Å | ||
| 863 | R | 79.7 | Confident | 82.3 | Confident | 181 Ų | 181 | 72.8 Ų | 72.8 | 68% | 0.683 | 36% | 0.363 | S | S | * | . | trans | -157.9 | 159.1 | -178.2 | 73.6 | 175.2 | -174.2 | -98.9 | -10.9 | 114.1 | D940 L1001 | R863-D940 WeakPolarHBondContact CA-OD2 3.46Å; R863-L1001 HydrophobicContact CB-CB 4.32Å; R863-L1001 HydrophobicContact CB-CD2 4.08Å | ||
| 864 | P | 82.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.013 | 37% | 0.373 | C | S | . | . | trans | -71.5 | 136 | -177.2 | -23.7 | 34.3 | 0 | 0 | 0 | 115.1 | V938 I939 D940 D994 L1001 S1003 | P864-V938 HydrophobicContact CB-CG1 3.93Å; P864-I939 CarbonylContact C-O 3.51Å; P864-I939 VanDerWaalsContact CA-O 3.25Å; P864-I939 WeakPolarHBondContact CA-O 3.42Å; P864-D940 WeakPolarHBondContact CA-OD2 3.16Å; P864-D940 WeakPolarHBondContact CD-OD2 3.28Å; P864-D940 WeakPolarHBondContact CG-OD2 3.29Å; P864-D994 HydrophobicContact CG-CB 3.98Å; P864-L1001 VanDerWaalsContact CD-O 3.32Å; P864-L1001 WeakPolarHBondContact CD-O 3.46Å; P864-S1003 WeakPolarHBondContact O-CB 3.38Å; P864-S1003 PolarHBondContact O-OG 3.37Å | ||
| 865 | E | 84 | Confident | 80.9 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.5 | -177.1 | -178.5 | 169.4 | -154.5 | 0 | 0 | 112.7 | V938 I939 | E865-V938 CarbonylContact O-C 3.51Å; E865-V938 WeakPolarHBondContact O-CA 3.27Å; E865-I939 HydrophobicContact CB-CG1 4.01Å; E865-I939 PolarHBondContact N-O 2.84Å; E865-I939 PolarHBondContact O-N 3.18Å |
| 866 | F | 83.2 | Confident | 80.5 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 16% | 0.158 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137 | 175.5 | -90.6 | -73.3 | 0 | 0 | 0 | 112.3 | H936 R937 V938 L954 L990 A992 S1003 V1005 | F866-H936 HydrophobicContact CD1-CB 4.03Å; F866-H936 HydrophobicContact CE1-CB 4.4Å; F866-R937 WeakPolarHBondContact CA-O 3.44Å; F866-R937 WeakPolarHBondContact CD1-O 3.42Å; F866-V938 HydrophobicContact CD1-CG2 3.85Å; F866-V938 HydrophobicContact CE1-CG2 3.59Å; F866-V938 HydrophobicContact CZ-CG2 4.1Å; F866-L954 HydrophobicContact CE1-CD2 4.08Å; F866-L954 HydrophobicContact CZ-CD2 4.09Å; F866-L990 HydrophobicContact CE1-CD2 3.85Å; F866-L990 HydrophobicContact CE1-CG 4.44Å; F866-L990 HydrophobicContact CZ-CD2 4.25Å; F866-L990 HydrophobicContact CZ-CG 4.34Å; F866-A992 HydrophobicContact CD2-CB 4.39Å; F866-A992 HydrophobicContact CE1-CB 4.33Å; F866-A992 HydrophobicContact CE2-CB 3.51Å; F866-A992 HydrophobicContact CZ-CB 3.48Å; F866-A992 VanDerWaalsContact CZ-CB 3.48Å; F866-S1003 WeakPolarHBondContact CD2-OG 3.35Å; F866-V1005 HydrophobicContact CD1-CB 4.33Å; F866-V1005 HydrophobicContact CD1-CG1 3.68Å; F866-V1005 HydrophobicContact CD2-CB 4.13Å; F866-V1005 HydrophobicContact CD2-CG1 4.15Å; F866-V1005 HydrophobicContact CE1-CG1 3.64Å; F866-V1005 HydrophobicContact CE2-CB 4.4Å; F866-V1005 HydrophobicContact CE2-CG1 4.11Å; F866-V1005 HydrophobicContact CG-CB 4.09Å; F866-V1005 HydrophobicContact CG-CG1 3.94Å; F866-V1005 HydrophobicContact CZ-CG1 3.85Å |
| 867 | M | 81.9 | Confident | 80 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 147.4 | 170.8 | -77.1 | -178.6 | -84.5 | 0 | 0 | 111.8 | H936 R937 I939 | M867-H936 CarbonylContact O-C 3.55Å; M867-H936 VanDerWaalsContact O-CA 3.25Å; M867-H936 WeakPolarHBondContact O-CA 3.43Å; M867-R937 HydrophobicContact CB-CG 3.93Å; M867-R937 VanDerWaalsContact CE-NH2 3.29Å; M867-R937 PolarHBondContact N-O 2.79Å; M867-R937 PolarHBondContact O-N 3.02Å; M867-R937 PolarHBondContact SD-NH2 2.99Å; M867-I939 HydrophobicContact CE-CB 4.16Å; M867-I939 HydrophobicContact CE-CD1 3.54Å; M867-I939 HydrophobicContact CE-CG1 3.67Å; M867-I939 HydrophobicContact CE-CG2 3.44Å; M867-I939 VanDerWaalsContact CE-CG2 3.44Å |
| 868 | L | 80.9 | Confident | 79.9 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 44% | 0.44 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.2 | 165.2 | -78 | 159.7 | 0 | 0 | 0 | 110.5 | H936 | L868-H936 WeakPolarHBondContact CD2-NE2 3.46Å |
| 869 | I | 80.1 | Confident | 79.8 | Confident | 96 Ų | 96 | 71.5 Ų | 71.5 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -75.9 | -43.1 | 172.2 | -59.1 | 177.3 | 0 | 0 | 0 | 109.9 | P935 R937 | I869-P935 PolarHBondContact N-O 3.42Å; I869-R937 HydrophobicContact CG1-CB 4.18Å; I869-R937 HydrophobicContact CG1-CG 4.5Å |
| 870 | E | 77 | Confident | 79.9 | Confident | 89 Ų | 89 | 70 Ų | 70 | 42% | 0.416 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -128.7 | 127.5 | 176 | -68.5 | 169.8 | -164 | 0 | 0 | 108.9 | H872 R873 | E870-H872 PolarHBondContact O-N 2.86Å; E870-R873 HydrophobicContact CB-CB 3.94Å; E870-R873 PolarHBondContact O-N 2.86Å; E870-R873 IonicContact OE1-NH1 3.29Å; E870-R873 WeakPolarHBondContact OE2-CB 3.48Å; E870-R873 VanDerWaalsContact OE2-CD 3.3Å; E870-R873 WeakPolarHBondContact OE2-CD 3.34Å |
| 871 | P | 72.1 | Confident | 79.9 | Confident | 106 Ų | 106 | 70 Ų | 70 | 69% | 0.688 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 0.3 | -174.7 | 28.4 | -36.4 | 0 | 0 | 0 | 114.8 | ||
| 872 | H | 70.1 | Confident | 79.7 | Confident | 167 Ų | 167 | 71.4 Ų | 71.4 | 77% | 0.773 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -16.3 | -179.4 | -58.6 | -33.1 | 0 | 0 | 0 | 113.8 | E870 S874 | E870-H872 PolarHBondContact O-N 2.86Å; H872-S874 PolarHBondContact O-N 3.13Å |
| 873 | R | 71.2 | Confident | 79.6 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | trans | -91.9 | 70.2 | -178 | -168.1 | 177.6 | -177.1 | 170.1 | 3.2 | 110.6 | E870 H875 E932 P935 | E870-R873 HydrophobicContact CB-CB 3.94Å; E870-R873 PolarHBondContact O-N 2.86Å; E870-R873 IonicContact OE1-NH1 3.29Å; E870-R873 WeakPolarHBondContact OE2-CB 3.48Å; E870-R873 VanDerWaalsContact OE2-CD 3.3Å; E870-R873 WeakPolarHBondContact OE2-CD 3.34Å; R873-H875 PolarHBondContact O-N 2.87Å; R873-E932 IonicContact CZ-OE2 3.01Å; R873-E932 IonicContact NH2-OE2 3.26Å; R873-E932 PolarHBondContact NH2-OE2 2.7Å; R873-P935 WeakPolarHBondContact O-CB 2.92Å | ||
| 874 | S | 74.8 | Confident | 79.1 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | trans | -76.3 | -1.8 | 178.1 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | H872 | H872-S874 PolarHBondContact O-N 3.13Š| ||
| 875 | H | 83.1 | Confident | 78.2 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 32% | 0.324 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 149.1 | -168.5 | 55.1 | -80.6 | 0 | 0 | 0 | 112.8 | R873 T1008 I1010 | R873-H875 PolarHBondContact O-N 2.87Å; H875-T1008 CarbonylContact C-O 3.52Å; H875-T1008 WeakPolarHBondContact CA-O 3.34Å; H875-T1008 WeakPolarHBondContact CB-O 3.09Å; H875-I1010 HydrophobicContact CB-CD1 4.48Å |
| 876 | V | 85.5 | Confident | 77.1 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 145.2 | 172.3 | 172.4 | 0 | 0 | 0 | 0 | 109.1 | F878 E932 P933 L974 F1007 T1008 V1009 I1010 | V876-F878 HydrophobicContact CG1-CD2 4.25Å; V876-F878 HydrophobicContact CG1-CE1 4.46Å; V876-F878 HydrophobicContact CG1-CE2 3.58Å; V876-F878 HydrophobicContact CG1-CZ 3.71Å; V876-E932 HydrophobicContact CG1-CB 3.42Å; V876-E932 VanDerWaalsContact CG1-CB 3.42Å; V876-E932 HydrophobicContact CG1-CG 3.9Å; V876-P933 WeakPolarHBondContact CG2-O 3.33Å; V876-L974 HydrophobicContact CG1-CD2 4.31Å; V876-L974 HydrophobicContact CG2-CD2 4.4Å; V876-F1007 HydrophobicContact CG2-CD2 4.27Å; V876-F1007 HydrophobicContact CG2-CE2 4.06Å; V876-T1008 PolarHBondContact N-O 2.8Å; V876-V1009 HydrophobicContact CB-CG1 4.35Å; V876-V1009 HydrophobicContact CB-CG2 4.13Å; V876-V1009 HydrophobicContact CG1-CG1 4.27Å; V876-V1009 CarbonylContact O-C 3.52Å; V876-V1009 WeakPolarHBondContact O-CA 3.08Å; V876-I1010 PolarHBondContact O-N 2.82Å |
| 877 | T | 83.8 | Confident | 75.6 | Confident | 38 Ų | 38 | 74.3 Ų | 74.3 | 23% | 0.233 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 122.9 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | I1010 R1012 | T877-I1010 CarbonylContact C-O 3.49Å; T877-I1010 VanDerWaalsContact CA-O 3.31Å; T877-I1010 WeakPolarHBondContact CA-O 3.36Å; T877-I1010 HydrophobicContact CG2-CB 4.39Å; T877-R1012 HydrophobicContact CG2-CG 4.21Å |
| 878 | F | 85.8 | Confident | 73.7 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 2% | 0.018 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 151.2 | 171.5 | -58.2 | -74.5 | 0 | 0 | 0 | 110.9 | V876 L883 V930 E932 F964 L974 A976 V1009 I1010 I1011 R1012 | V876-F878 HydrophobicContact CG1-CD2 4.25Å; V876-F878 HydrophobicContact CG1-CE1 4.46Å; V876-F878 HydrophobicContact CG1-CE2 3.58Å; V876-F878 HydrophobicContact CG1-CZ 3.71Å; F878-L883 HydrophobicContact CB-CD1 4.4Å; F878-V930 HydrophobicContact CD1-CB 4.24Å; F878-V930 HydrophobicContact CD1-CG1 3.87Å; F878-V930 HydrophobicContact CE1-CG1 4.28Å; F878-V930 VanDerWaalsContact CE1-O 3.22Å; F878-V930 WeakPolarHBondContact CE1-O 3.4Å; F878-E932 HydrophobicContact CD1-CG 4.08Å; F878-E932 HydrophobicContact CE1-CB 3.84Å; F878-E932 HydrophobicContact CE1-CG 3.65Å; F878-E932 HydrophobicContact CZ-CB 3.96Å; F878-E932 HydrophobicContact CZ-CG 4.19Å; F878-F964 HydrophobicContact CD2-CE1 4.29Å; F878-F964 HydrophobicContact CE2-CD1 4.33Å; F878-F964 AromaticContact CE2-CE1 3.95Å; F878-F964 HydrophobicContact CE2-CE1 3.95Å; F878-L974 HydrophobicContact CE2-CD2 4.47Å; F878-A976 HydrophobicContact CD1-CB 4.01Å; F878-A976 HydrophobicContact CD2-CB 3.7Å; F878-A976 HydrophobicContact CE1-CB 3.94Å; F878-A976 HydrophobicContact CE2-CB 3.62Å; F878-A976 HydrophobicContact CG-CB 3.89Å; F878-A976 HydrophobicContact CZ-CB 3.75Å; F878-V1009 HydrophobicContact CD2-CG1 3.74Å; F878-V1009 HydrophobicContact CE2-CG1 3.61Å; F878-I1010 PolarHBondContact N-O 3.17Å; F878-I1011 HydrophobicContact CB-CG1 4.27Å; F878-I1011 HydrophobicContact CD2-CG1 4.34Å; F878-I1011 WeakPolarHBondContact O-CA 3.33Å; F878-R1012 PolarHBondContact O-N 2.88Å; F878-R1012 VanDerWaalsContact O-N 3.1Å |
| 879 | T | 81.7 | Confident | 71.4 | Confident | 28 Ų | 28 | 79.8 Ų | 79.8 | 17% | 0.172 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.1 | 169.8 | 71.2 | 0 | 0 | 0 | 0 | 111 | E881 Q882 L883 R1012 | T879-E881 VanDerWaalsContact C-N 3.33Å; T879-E881 PolarHBondContact O-N 2.9Å; T879-Q882 PolarHBondContact O-N 2.7Å; T879-Q882 WeakPolarHBondContact OG1-CB 3.15Å; T879-Q882 WeakPolarHBondContact OG1-CG 3.5Å; T879-Q882 PolarHBondContact OG1-OE1 2.93Å; T879-L883 PolarHBondContact O-N 2.79Å; T879-R1012 CarbonylContact C-O 3.54Å; T879-R1012 VanDerWaalsContact CA-O 3.25Å; T879-R1012 WeakPolarHBondContact CA-O 3.25Å |
| 880 | W | 83.5 | Confident | 69 | Low | 58 Ų | 58 | 84.5 Ų | 84.5 | 22% | 0.22 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -32.9 | -169 | -172.9 | 82.7 | 0 | 0 | 0 | 112.1 | R979 P980 P983 I1011 R1012 | W880-R979 HydrophobicContact CD2-CG 4.17Å; W880-R979 HydrophobicContact CG-CG 4.31Å; W880-R979 HydrophobicContact CZ2-CG 4.16Å; W880-R979 VanDerWaalsContact CZ3-NH1 3.32Å; W880-R979 PolarHBondContact O-NE 3.32Å; W880-R979 VanDerWaalsContact O-NE 3.09Å; W880-P980 PolarHBondContact NE1-O 2.65Å; W880-P983 HydrophobicContact CB-CG 4.15Å; W880-P983 HydrophobicContact CD2-CG 4.33Å; W880-P983 HydrophobicContact CG-CG 3.92Å; W880-I1011 HydrophobicContact CB-CG2 4.08Å; W880-I1011 HydrophobicContact CG-CG2 4.44Å; W880-R1012 PolarHBondContact N-O 3.35Å |
| 881 | E | 75.6 | Confident | 66.9 | Low | 73 Ų | 73 | 88 Ų | 88 | 34% | 0.341 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -25 | 178.2 | -64.8 | 71.2 | -155.7 | 0 | 0 | 113.3 | T879 R979 S1013 D1014 | T879-E881 VanDerWaalsContact C-N 3.33Å; T879-E881 PolarHBondContact O-N 2.9Å; E881-R979 PolarHBondContact O-NH2 3.05Å; E881-S1013 WeakPolarHBondContact OE1-CA 3.33Å; E881-S1013 WeakPolarHBondContact OE1-CB 3.5Å; E881-S1013 VanDerWaalsContact OE2-CA 3.24Å; E881-S1013 WeakPolarHBondContact OE2-CA 3.47Å; E881-D1014 VanDerWaalsContact CD-N 3.35Å; E881-D1014 PolarHBondContact OE1-N 2.83Å; E881-D1014 PolarHBondContact OE2-N 2.84Å |
| 882 | Q | 78.4 | Confident | 64.9 | Low | 129 Ų | 129 | 88.3 Ų | 88.3 | 60% | 0.603 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -22.7 | 176.4 | -70.9 | 174 | -12.9 | 0 | 0 | 113.1 | T879 | T879-Q882 PolarHBondContact O-N 2.7Å; T879-Q882 WeakPolarHBondContact OG1-CB 3.15Å; T879-Q882 WeakPolarHBondContact OG1-CG 3.5Å; T879-Q882 PolarHBondContact OG1-OE1 2.93Å |
| 883 | L | 76.7 | Confident | 63.2 | Low | 1 Ų | 1 | 88 Ų | 88 | 1% | 0.005 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -71.1 | 140.1 | 175.3 | -64.3 | 170.7 | 0 | 0 | 0 | 110.9 | F878 T879 V930 A976 R979 I1011 | F878-L883 HydrophobicContact CB-CD1 4.4Å; T879-L883 PolarHBondContact O-N 2.79Å; L883-V930 HydrophobicContact CD2-CB 3.85Å; L883-V930 HydrophobicContact CD2-CG2 3.85Å; L883-A976 HydrophobicContact CD2-CB 3.67Å; L883-R979 HydrophobicContact CB-CB 3.67Å; L883-R979 HydrophobicContact CB-CG 4.04Å; L883-R979 PolarHBondContact O-NE 2.9Å; L883-R979 PolarHBondContact O-NH2 2.79Å; L883-I1011 HydrophobicContact CD1-CD1 4.03Å; L883-I1011 HydrophobicContact CD1-CG2 3.56Å |
| 884 | N | 69.8 | Low | 61.5 | Low | 80 Ų | 80 | 91 Ų | 91 | 43% | 0.428 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -77 | 131.1 | -179.8 | -75.7 | -54.6 | 0 | 0 | 0 | 112.1 | N928 R979 | N884-N928 PolarHBondContact ND2-O 3.17Å; N884-R979 VanDerWaalsContact O-CB 3.27Å; N884-R979 WeakPolarHBondContact O-CB 3.25Å; N884-R979 PolarHBondContact O-N 3.42Å |
| 885 | P | 64.3 | Low | 59.5 | Low | 87 Ų | 87 | 94.4 Ų | 94.4 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 138.6 | 175.9 | 30 | -34.2 | 0 | 0 | 0 | 111.8 | I887 | P885-I887 PolarHBondContact O-N 2.96Š|
| 886 | L | 60.5 | Low | 57.3 | Low | 101 Ų | 101 | 94.8 Ų | 94.8 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | trans | -71.8 | 113.2 | -176.1 | -110.5 | 163.6 | 0 | 0 | 0 | 112.3 | I888 Y978 | L886-I888 HydrophobicContact CB-CG1 4.25Å; L886-I888 HydrophobicContact CD2-CG1 4.3Å; L886-Y978 HydrophobicContact CD1-CD1 4.14Å; L886-Y978 HydrophobicContact CD1-CD2 3.68Å; L886-Y978 HydrophobicContact CD1-CE2 4.26Å; L886-Y978 HydrophobicContact CD1-CG 3.62Å; L886-Y978 HydrophobicContact CG-CG 4.3Å | ||
| 887 | I | 51.3 | Low | 54.9 | Low | 159 Ų | 159 | 100.8 Ų | 100.8 | 82% | 0.815 | 53% | 0.533 | S | S | * | . | trans | -84.8 | 122.7 | 159.5 | -56.2 | 176.2 | 0 | 0 | 0 | 106.6 | P885 P889 | P885-I887 PolarHBondContact O-N 2.96Å; I887-P889 WeakPolarHBondContact O-CD 3.35Å | ||
| 888 | I | 41.7 | Very low | 52.6 | Low | 140 Ų | 140 | 104.5 Ų | 104.5 | 72% | 0.718 | 56% | 0.556 | S | S | * | * | trans | -109.3 | 110.7 | -168.9 | -56.2 | 173.3 | 0 | 0 | 0 | 112 | L886 | L886-I888 HydrophobicContact CB-CG1 4.25Å; L886-I888 HydrophobicContact CD2-CG1 4.3Å | ||
| 889 | P | 32.1 | Very low | 50.2 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | trans | -82.7 | 165.5 | 155.7 | -6.9 | 26.2 | 0 | 0 | 0 | 111.5 | I887 | I887-P889 WeakPolarHBondContact O-CD 3.35Š| ||
| 890 | K | 30.1 | Very low | 47.9 | Very low | 194 Ų | 194 | 117.1 Ų | 117.1 | 84% | 0.843 | 62% | 0.621 | S | S | * | * | trans | -87.4 | 125.1 | -173.6 | -69 | 180 | 177.2 | 178.4 | 0 | 114.4 | ||||
| 891 | Q | 32.2 | Very low | 45.4 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | trans | 65.3 | 144.1 | 138.6 | -85.5 | -178.1 | -61.7 | 0 | 0 | 123 | ||||
| 892 | N | 31.1 | Very low | 43.3 | Very low | 111 Ų | 111 | 127 Ų | 127 | 59% | 0.594 | 67% | 0.671 | S | S | * | * | trans | 86.5 | 112.3 | 151.8 | -66.2 | -0.6 | 0 | 0 | 0 | 118.2 | ||||
| 893 | Q | 34.8 | Very low | 41 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | 85.7 | 144.8 | 79.4 | -75.3 | -178.7 | -1.2 | 0 | 0 | 111.9 | |||||
| 894 | L | 35 | Very low | 38.9 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 69% | 0.686 | 71% | 0.712 | S | S | * | * | cis | -155.4 | 144.1 | 8.9 | -152.5 | 82.5 | 0 | 0 | 0 | 113.2 | ||||
| 895 | N | 33.1 | Very low | 37.1 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 21.1 | 129.8 | 140.3 | -61 | 4.5 | 0 | 0 | 0 | 125.2 | ||||
| 896 | A | 35.9 | Very low | 35.5 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | 91.4 | 126.3 | 108.3 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 897 | T | 36.6 | Very low | 34 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | 62 | 169.2 | 128.7 | 71.1 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 898 | T | 35.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | cis | -165.6 | 176.3 | 17.4 | -19.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 899 | V | 34.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | 74.4 | 129.9 | 150.6 | 167.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 900 | H | 33.4 | Very low | 32.2 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | cis | 91.8 | 117.3 | 13.8 | -143.9 | 2.7 | 0 | 0 | 0 | 115.7 | ||||
| 901 | L | 31.6 | Very low | 32.3 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 153.6 | 119.1 | 140.8 | -83.3 | 161.9 | 0 | 0 | 0 | 116.5 | ||||
| 902 | K | 31.3 | Very low | 32.6 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | 21.7 | 148.9 | 137.1 | -65.2 | -174.1 | 173.3 | -175.6 | 0 | 124.6 | ||||
| 903 | S | 30.2 | Very low | 33.2 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 108.3 | 118.2 | 131.3 | 71.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 904 | D | 32 | Very low | 33.2 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 73.7 | 145.6 | 132.2 | -58.3 | 1.5 | 0 | 0 | 0 | 124.4 | ||||
| 905 | N | 32 | Very low | 33.3 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | 81.2 | 112.4 | 156.6 | -73.3 | -59.7 | 0 | 0 | 0 | 122.1 | ||||
| 906 | Q | 31.4 | Very low | 33.5 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 65.8 | 131.6 | 126.6 | -64.5 | -177.8 | 44.2 | 0 | 0 | 122.2 | |||||
| 907 | F | 28.2 | Very low | 33.5 | Very low | 213 Ų | 213 | 151.6 Ų | 151.6 | 93% | 0.934 | 77% | 0.774 | S | S | * | * | trans | 62.6 | 134 | 147.1 | -95.2 | -96.4 | 0 | 0 | 0 | 120 | ||||
| 908 | G | 27.8 | Very low | 33.3 | Very low | 76 Ų | 76 | 151.3 Ų | 151.3 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | 146.5 | 114.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 909 | K | 29.8 | Very low | 33.4 | Very low | 204 Ų | 204 | 153.3 Ų | 153.3 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | -96.3 | 149.5 | 164.1 | -79.9 | -178.3 | 174.3 | 177.3 | 0 | 109.7 | ||||
| 910 | K | 30.9 | Very low | 33.4 | Very low | 177 Ų | 177 | 154.9 Ų | 154.9 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 85.8 | 137.4 | 154 | -79.5 | 166.8 | 151.4 | -112.3 | 0 | 121.3 | ||||
| 911 | E | 32.3 | Very low | 33.4 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 67% | 0.673 | 77% | 0.767 | S | S | * | * | trans | 90.5 | 83.5 | 136.5 | -75.9 | 160.1 | -139.6 | 0 | 0 | 123.7 | ||||
| 912 | K | 38.2 | Very low | 33.5 | Very low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | 66.8 | 159 | 130.1 | -76.3 | -169.9 | 172.3 | -176.1 | 0 | 122.4 | ||||
| 913 | P | 42.9 | Very low | 33.7 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | -127.8 | 179.4 | -153.8 | 44.2 | -29.7 | 0 | 0 | 0 | 117.6 | ||||
| 914 | I | 34.6 | Very low | 34.2 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | trans | -151.1 | -179.9 | 169.2 | -95.9 | 147.6 | 0 | 0 | 0 | 110.4 | ||||
| 915 | K | 37.8 | Very low | 34.6 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 67% | 0.674 | 78% | 0.78 | S | S | * | * | trans | -126.9 | 161 | -149.6 | -43.1 | 166.8 | 75.4 | -146.5 | 0 | 118 | ||||
| 916 | E | 36.3 | Very low | 35 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | 93.6 | 144 | 129 | -98.9 | 153.6 | -164.6 | 0 | 0 | 128.4 | |||||
| 917 | E | 35.7 | Very low | 35.9 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 96.6 | 115.2 | 149.9 | -69.6 | -158.5 | 125 | 0 | 0 | 128.2 | ||||
| 918 | N | 33.3 | Very low | 37.5 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 65% | 0.652 | 77% | 0.772 | S | S | * | * | 68.7 | 163.4 | 126.6 | -55.2 | -7 | 0 | 0 | 0 | 125.4 | |||||
| 919 | Q | 36.1 | Very low | 39.7 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | cis | -172.2 | 167.5 | -41 | -159.5 | 173.1 | -78.7 | 0 | 0 | 112.9 | ||||
| 920 | E | 35.5 | Very low | 42 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | trans | 78.6 | 166.9 | 163.8 | -49.9 | -153.3 | 131.1 | 0 | 0 | 119.7 | ||||
| 921 | L | 33.3 | Very low | 44.7 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | cis | -153.5 | 178.4 | 8.7 | -164.7 | 59.2 | 0 | 0 | 0 | 112.2 | ||||
| 922 | S | 34.1 | Very low | 47.2 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | trans | -153.6 | 162.4 | -177.5 | 66 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 923 | S | 35.5 | Very low | 49.4 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | trans | 179.6 | 126.2 | 152 | 52.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 924 | L | 41.4 | Very low | 51.5 | Low | 180 Ų | 180 | 116.2 Ų | 116.2 | 94% | 0.942 | 62% | 0.622 | S | S | * | * | trans | -166.4 | 55.7 | 159.4 | -156.5 | 86.1 | 0 | 0 | 0 | 113.8 | ||||
| 925 | E | 39 | Very low | 53.9 | Low | 180 Ų | 180 | 108 Ų | 108 | 84% | 0.841 | 58% | 0.58 | S | S | * | * | trans | -87 | 157.2 | -174.9 | -64.8 | -176.2 | 122.6 | 0 | 0 | 115.3 | ||||
| 926 | N | 41.5 | Very low | 56.1 | Low | 162 Ų | 162 | 101.7 Ų | 101.7 | 87% | 0.866 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 109.7 | 26.6 | 168.5 | -59.6 | -64.7 | 0 | 0 | 0 | 119.4 | ||
| 927 | A | 49.4 | Very low | 58.4 | Low | 74 Ų | 74 | 100.9 Ų | 100.9 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | trans | -139.2 | 111.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 928 | N | 62.5 | Low | 60.6 | Low | 131 Ų | 131 | 94.4 Ų | 94.4 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | trans | -74.4 | 127.3 | 179.2 | -69.5 | 4 | 0 | 0 | 0 | 110.1 | N884 | N884-N928 PolarHBondContact ND2-O 3.17Š| ||
| 929 | P | 73.3 | Confident | 62.8 | Low | 55 Ų | 55 | 90.3 Ų | 90.3 | 36% | 0.357 | 49% | 0.492 | S | S | . | . | trans | -75.5 | 164.7 | 170.7 | 33.8 | -35.8 | 0 | 0 | 0 | 110.9 | C975 A976 M977 | P929-C975 HydrophobicContact CB-CB 4.27Å; P929-A976 WeakPolarHBondContact CB-O 3.33Å; P929-M977 HydrophobicContact CB-CE 4.39Å; P929-M977 HydrophobicContact CB-SD 3.87Å; P929-M977 HydrophobicContact CG-SD 4.41Å | ||
| 930 | V | 79 | Confident | 64.8 | Low | 38 Ų | 38 | 83.4 Ų | 83.4 | 23% | 0.23 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.2 | 174 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | F878 L883 C975 A976 | F878-V930 HydrophobicContact CD1-CB 4.24Å; F878-V930 HydrophobicContact CD1-CG1 3.87Å; F878-V930 HydrophobicContact CE1-CG1 4.28Å; F878-V930 VanDerWaalsContact CE1-O 3.22Å; F878-V930 WeakPolarHBondContact CE1-O 3.4Å; L883-V930 HydrophobicContact CD2-CB 3.85Å; L883-V930 HydrophobicContact CD2-CG2 3.85Å; V930-C975 CarbonylContact O-C 3.53Å; V930-C975 WeakPolarHBondContact O-CA 3.48Å; V930-A976 PolarHBondContact N-O 3.47Å; V930-A976 VanDerWaalsContact N-O 3.11Å; V930-A976 PolarHBondContact O-N 2.86Å |
| 931 | C | 86.1 | Confident | 66.9 | Low | 50 Ų | 50 | 84 Ų | 84 | 34% | 0.338 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148.3 | -169.8 | -47.8 | 0 | 0 | 0 | 0 | 113.2 | I967 V973 L974 C975 | C931-I967 HydrophobicContact CB-CD1 4.49Å; C931-V973 HydrophobicContact CB-CG1 3.82Å; C931-L974 CarbonylContact C-O 3.55Å; C931-L974 VanDerWaalsContact CA-O 3.31Å; C931-L974 WeakPolarHBondContact CA-O 3.46Å; C931-C975 HydrophobicContact CB-CB 4.03Å; C931-C975 WeakPolarHBondContact CB-SG 3.31Å; C931-C975 WeakPolarHBondContact SG-CB 3.46Å; C931-C975 CovalentContact SG-SG 2.04Å; C931-C975 PolarHBondContact SG-SG 2.88Å |
| 932 | E | 84.9 | Confident | 68.9 | Low | 57 Ų | 57 | 77.2 Ų | 77.2 | 27% | 0.266 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143 | -173 | -88.2 | -78.1 | 143.6 | 0 | 0 | 110.4 | R873 V876 F878 L974 | R873-E932 IonicContact CZ-OE2 3.01Å; R873-E932 IonicContact NH2-OE2 3.26Å; R873-E932 PolarHBondContact NH2-OE2 2.7Å; V876-E932 HydrophobicContact CG1-CB 3.42Å; V876-E932 VanDerWaalsContact CG1-CB 3.42Å; V876-E932 HydrophobicContact CG1-CG 3.9Å; F878-E932 HydrophobicContact CD1-CG 4.08Å; F878-E932 HydrophobicContact CE1-CB 3.84Å; F878-E932 HydrophobicContact CE1-CG 3.65Å; F878-E932 HydrophobicContact CZ-CB 3.96Å; F878-E932 HydrophobicContact CZ-CG 4.19Å; E932-L974 PolarHBondContact N-O 3.4Å; E932-L974 PolarHBondContact O-N 2.85Å |
| 933 | P | 86.1 | Confident | 70.6 | Confident | 60 Ų | 60 | 76 Ų | 76 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 145.1 | 174.1 | -26.1 | 33.9 | 0 | 0 | 0 | 114.9 | V876 | V876-P933 WeakPolarHBondContact CG2-O 3.33Å |
| 934 | L | 86.9 | Confident | 71.9 | Confident | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | trans | -68.2 | 155.1 | 165.7 | -72.2 | -177.9 | 0 | 0 | 0 | 111.6 | L966 P971 S972 L974 L990 F1007 | L934-L966 HydrophobicContact CD1-CD2 3.82Å; L934-L966 HydrophobicContact CD2-CD2 4.08Å; L934-L966 HydrophobicContact CG-CD2 4.16Å; L934-P971 VanDerWaalsContact CD1-O 3.29Å; L934-P971 WeakPolarHBondContact CD1-O 3.48Å; L934-S972 WeakPolarHBondContact CB-O 3.05Å; L934-S972 PolarHBondContact N-O 3.25Å; L934-L974 HydrophobicContact CD2-CB 4.05Å; L934-L990 HydrophobicContact CD1-CD1 3.81Å; L934-L990 HydrophobicContact CD1-CD2 3.91Å; L934-F1007 HydrophobicContact CD2-CE1 3.86Å; L934-F1007 HydrophobicContact CD2-CE2 3.91Å; L934-F1007 HydrophobicContact CD2-CZ 3.4Å; L934-F1007 VanDerWaalsContact CD2-CZ 3.4Å | ||
| 935 | P | 84 | Confident | 72.8 | Confident | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.019 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -89 | -1.8 | -178.2 | 32.9 | -34 | 0 | 0 | 0 | 116.2 | I869 R873 F1007 | I869-P935 PolarHBondContact N-O 3.42Å; R873-P935 WeakPolarHBondContact O-CB 2.92Å; P935-F1007 HydrophobicContact CG-CB 3.76Å; P935-F1007 HydrophobicContact CG-CD2 4.21Å; P935-F1007 HydrophobicContact CG-CG 4.04Å |
| 936 | H | 84.1 | Confident | 73.7 | Confident | 22 Ų | 22 | 72 Ų | 72 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 152.7 | -172.3 | -60.1 | 109.2 | 0 | 0 | 0 | 113.7 | F866 M867 L868 V1005 | F866-H936 HydrophobicContact CD1-CB 4.03Å; F866-H936 HydrophobicContact CE1-CB 4.4Å; M867-H936 CarbonylContact O-C 3.55Å; M867-H936 VanDerWaalsContact O-CA 3.25Å; M867-H936 WeakPolarHBondContact O-CA 3.43Å; L868-H936 WeakPolarHBondContact CD2-NE2 3.46Å; H936-V1005 HydrophobicContact CB-CG1 4.33Å; H936-V1005 VanDerWaalsContact CE1-CG2 3.47Å; H936-V1005 WeakPolarHBondContact CE1-CG2 3.37Å; H936-V1005 WeakPolarHBondContact NE2-CG2 3.41Å |
| 937 | R | 84.8 | Confident | 74.6 | Confident | 134 Ų | 134 | 66.1 Ų | 66.1 | 51% | 0.506 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 169.9 | 168.6 | 68.7 | 173.4 | -175.5 | 155.7 | 3.2 | 110.9 | F866 M867 I869 | F866-R937 WeakPolarHBondContact CA-O 3.44Å; F866-R937 WeakPolarHBondContact CD1-O 3.42Å; M867-R937 HydrophobicContact CB-CG 3.93Å; M867-R937 VanDerWaalsContact CE-NH2 3.29Å; M867-R937 PolarHBondContact N-O 2.79Å; M867-R937 PolarHBondContact O-N 3.02Å; M867-R937 PolarHBondContact SD-NH2 2.99Å; I869-R937 HydrophobicContact CG1-CB 4.18Å; I869-R937 HydrophobicContact CG1-CG 4.5Å |
| 938 | V | 81.5 | Confident | 74.8 | Confident | 21 Ų | 21 | 68 Ų | 68 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 156.8 | 178 | -165.1 | 0 | 0 | 0 | 0 | 110 | P864 E865 F866 C952 L954 A992 | P864-V938 HydrophobicContact CB-CG1 3.93Å; E865-V938 CarbonylContact O-C 3.51Å; E865-V938 WeakPolarHBondContact O-CA 3.27Å; F866-V938 HydrophobicContact CD1-CG2 3.85Å; F866-V938 HydrophobicContact CE1-CG2 3.59Å; F866-V938 HydrophobicContact CZ-CG2 4.1Å; V938-C952 HydrophobicContact CB-CB 4.22Å; V938-C952 HydrophobicContact CG1-CB 3.74Å; V938-L954 HydrophobicContact CG2-CD2 3.85Å; V938-A992 HydrophobicContact CG1-CB 3.97Å; V938-A992 HydrophobicContact CG2-CB 3.79Å |
| 939 | I | 79.4 | Confident | 74.4 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 19% | 0.19 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 163.5 | 165.5 | 58.8 | 167 | 0 | 0 | 0 | 110.4 | P864 E865 M867 | P864-I939 CarbonylContact C-O 3.51Å; P864-I939 VanDerWaalsContact CA-O 3.25Å; P864-I939 WeakPolarHBondContact CA-O 3.42Å; E865-I939 HydrophobicContact CB-CG1 4.01Å; E865-I939 PolarHBondContact N-O 2.84Å; E865-I939 PolarHBondContact O-N 3.18Å; M867-I939 HydrophobicContact CE-CB 4.16Å; M867-I939 HydrophobicContact CE-CD1 3.54Å; M867-I939 HydrophobicContact CE-CG1 3.67Å; M867-I939 HydrophobicContact CE-CG2 3.44Å; M867-I939 VanDerWaalsContact CE-CG2 3.44Å |
| 940 | D | 79.5 | Confident | 73.7 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 7% | 0.07 | 38% | 0.384 | C | S | . | . | trans | -128.8 | 174.3 | 159.8 | -155.7 | -81 | 0 | 0 | 0 | 110 | R863 P864 D942 M943 | R863-D940 WeakPolarHBondContact CA-OD2 3.46Å; P864-D940 WeakPolarHBondContact CA-OD2 3.16Å; P864-D940 WeakPolarHBondContact CD-OD2 3.28Å; P864-D940 WeakPolarHBondContact CG-OD2 3.29Å; D940-D942 PolarHBondContact OD1-N 2.8Å; D940-M943 HydrophobicContact CB-CG 4.34Å | ||
| 941 | R | 78.4 | Confident | 73 | Confident | 167 Ų | 167 | 74.1 Ų | 74.1 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -113.8 | -25.9 | 176.9 | -64.6 | -173.3 | -179 | -160.1 | 0.4 | 114.3 | N862 M943 | N862-R941 HydrophobicContact CB-CB 4.02Å; R941-M943 PolarHBondContact O-N 2.93Å |
| 942 | D | 75.9 | Confident | 72.2 | Confident | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.043 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -73.1 | -25.2 | 179.2 | -64.3 | -22.2 | 0 | 0 | 0 | 111 | N858 N860 D861 N862 D940 | N858-D942 PolarHBondContact ND2-O 3.44Å; N860-D942 WeakPolarHBondContact CA-OD2 3.31Å; N860-D942 HydrophobicContact CB-CB 4.43Å; N860-D942 PolarHBondContact ND2-OD2 3.01Å; D861-D942 PolarHBondContact N-OD2 3.15Å; N862-D942 VanDerWaalsContact CB-OD1 3.28Å; N862-D942 WeakPolarHBondContact CB-OD1 3.45Å; N862-D942 PolarHBondContact N-OD1 3.18Å; N862-D942 PolarHBondContact N-OD2 2.92Å; N862-D942 PolarHBondContact ND2-OD1 2.94Å; D940-D942 PolarHBondContact OD1-N 2.8Å |
| 943 | M | 69.4 | Low | 71.8 | Confident | 84 Ų | 84 | 74 Ų | 74 | 41% | 0.414 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -77.1 | 131.4 | 175.5 | -68.9 | -132.3 | 80.6 | 0 | 0 | 113.1 | D940 R941 S947 | D940-M943 HydrophobicContact CB-CG 4.34Å; R941-M943 PolarHBondContact O-N 2.93Å; M943-S947 VanDerWaalsContact CE-OG 3.31Å; M943-S947 WeakPolarHBondContact CE-OG 3.45Å |
| 944 | E | 64 | Low | 71.7 | Confident | 145 Ų | 145 | 73 Ų | 73 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | trans | -68.6 | 148.8 | 174.7 | -62 | -172.4 | 151.7 | 0 | 0 | 112.2 | D946 S947 | E944-D946 PolarHBondContact O-N 2.99Å; E944-S947 PolarHBondContact O-N 2.87Å; E944-S947 PolarHBondContact O-OG 3.11Å | ||
| 945 | S | 59.7 | Low | 71.5 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 62% | 0.615 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -56.5 | -29.8 | -164.6 | 54.1 | 0 | 0 | 0 | 0 | 116 | S947 M948 | S945-S947 PolarHBondContact O-N 2.95Å; S945-M948 WeakPolarHBondContact O-CG 3.42Å |
| 946 | D | 58.6 | Low | 71.6 | Confident | 158 Ų | 158 | 78.3 Ų | 78.3 | 85% | 0.845 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -73.3 | -11.9 | -178.2 | -73.3 | 8.7 | 0 | 0 | 0 | 113 | E944 | E944-D946 PolarHBondContact O-N 2.99Š|
| 947 | S | 59.3 | Low | 71.6 | Confident | 40 Ų | 40 | 82.5 Ų | 82.5 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -95.5 | -2.1 | -179.1 | 66.4 | 0 | 0 | 0 | 0 | 115 | M943 E944 S945 L949 D950 | M943-S947 VanDerWaalsContact CE-OG 3.31Å; M943-S947 WeakPolarHBondContact CE-OG 3.45Å; E944-S947 PolarHBondContact O-N 2.87Å; E944-S947 PolarHBondContact O-OG 3.11Å; S945-S947 PolarHBondContact O-N 2.95Å; S947-L949 PolarHBondContact O-N 3.28Å; S947-D950 PolarHBondContact O-N 3.02Å |
| 948 | M | 54.3 | Low | 71.3 | Confident | 112 Ų | 112 | 79.7 Ų | 79.7 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -16.3 | -172.4 | -78 | -167.2 | 177 | 0 | 0 | 116.4 | S945 | S945-M948 WeakPolarHBondContact O-CG 3.42Š|
| 949 | L | 54.1 | Low | 71.3 | Confident | 169 Ų | 169 | 82.8 Ų | 82.8 | 89% | 0.885 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -28.2 | -176 | -81.4 | 160.9 | 0 | 0 | 0 | 114.2 | S947 | S947-L949 PolarHBondContact O-N 3.28Š|
| 950 | D | 57.9 | Low | 71.4 | Confident | 163 Ų | 163 | 85.3 Ų | 85.3 | 87% | 0.872 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -110.3 | 13.9 | 178.9 | -72.2 | -47.1 | 0 | 0 | 0 | 112.4 | S947 C952 | S947-D950 PolarHBondContact O-N 3.02Å; D950-C952 PolarHBondContact O-N 3.08Å; D950-C952 VanDerWaalsContact O-N 3.16Å |
| 951 | C | 63.9 | Low | 71.4 | Confident | 22 Ų | 22 | 92.2 Ų | 92.2 | 15% | 0.149 | 47% | 0.473 | C | S | . | . | trans | -60 | 123.7 | 169.8 | 146.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 952 | C | 70.2 | Confident | 71.4 | Confident | 13 Ų | 13 | 85.5 Ų | 85.5 | 9% | 0.088 | 46% | 0.456 | C | S | . | . | S | Bend | trans | 77.9 | 115 | 145.7 | -40 | 0 | 0 | 0 | 0 | 115.6 | V938 D950 L954 A992 K993 | V938-C952 HydrophobicContact CB-CB 4.22Å; V938-C952 HydrophobicContact CG1-CB 3.74Å; D950-C952 PolarHBondContact O-N 3.08Å; D950-C952 VanDerWaalsContact O-N 3.16Å; C952-L954 PolarHBondContact O-N 3.39Å; C952-A992 HydrophobicContact CB-CB 4.43Å; C952-K993 CarbonylContact C-O 3.57Å; C952-K993 WeakPolarHBondContact CA-O 3.29Å |
| 953 | I | 76 | Confident | 71.8 | Confident | 90 Ų | 90 | 85.3 Ų | 85.3 | 46% | 0.462 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 123 | -170.7 | -58.3 | 175.1 | 0 | 0 | 0 | 110.9 | A992 K993 | I953-A992 WeakPolarHBondContact O-CA 3.16Å; I953-K993 PolarHBondContact N-O 3.01Å; I953-K993 PolarHBondContact O-N 2.99Å |
| 954 | L | 84 | Confident | 72.9 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.8 | -179.9 | -67.7 | -178.9 | 0 | 0 | 0 | 113.6 | F866 V938 C952 P971 L990 I991 A992 | F866-L954 HydrophobicContact CE1-CD2 4.08Å; F866-L954 HydrophobicContact CZ-CD2 4.09Å; V938-L954 HydrophobicContact CG2-CD2 3.85Å; C952-L954 PolarHBondContact O-N 3.39Å; L954-P971 HydrophobicContact CB-CB 4.43Å; L954-L990 HydrophobicContact CB-CD1 4.45Å; L954-L990 HydrophobicContact CD2-CD2 4.11Å; L954-L990 HydrophobicContact CD2-CG 4.17Å; L954-I991 WeakPolarHBondContact CA-O 3.49Å; L954-A992 HydrophobicContact CD2-CB 4.24Å |
| 955 | E | 83.8 | Confident | 73.8 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 145 | 178.4 | -72.4 | 172.5 | -165 | 0 | 0 | 112.5 | L990 I991 K993 | E955-L990 CarbonylContact O-C 3.4Å; E955-L990 VanDerWaalsContact O-CA 3.31Å; E955-L990 WeakPolarHBondContact O-CA 3.42Å; E955-I991 HydrophobicContact CB-CB 4.48Å; E955-I991 PolarHBondContact N-O 2.7Å; E955-I991 VanDerWaalsContact N-O 3.13Å; E955-I991 PolarHBondContact O-N 3.45Å; E955-K993 IonicContact OE1-NZ 3.68Å; E955-K993 PolarHBondContact OE1-NZ 2.86Å; E955-K993 WeakPolarHBondContact OE2-CE 3.27Å; E955-K993 IonicContact OE2-NZ 3.89Å; E955-K993 PolarHBondContact OE2-NZ 2.98Å |
| 956 | L | 85.6 | Confident | 75 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.7 | 169.2 | -82.2 | 177.1 | 0 | 0 | 0 | 111.3 | L966 L974 L988 T989 L990 F1007 | L956-L966 HydrophobicContact CD1-CD2 3.88Å; L956-L966 HydrophobicContact CD1-CG 3.72Å; L956-L966 HydrophobicContact CG-CD1 4.03Å; L956-L966 HydrophobicContact CG-CD2 4.06Å; L956-L966 HydrophobicContact CG-CG 3.78Å; L956-L974 HydrophobicContact CD1-CD1 3.67Å; L956-L988 HydrophobicContact CD1-CD2 4.27Å; L956-L988 HydrophobicContact CD2-CB 4.16Å; L956-L988 HydrophobicContact CD2-CD2 4Å; L956-T989 WeakPolarHBondContact CA-O 3.31Å; L956-T989 WeakPolarHBondContact CD2-O 3.4Å; L956-L990 HydrophobicContact CD2-CD1 4.29Å; L956-F1007 HydrophobicContact CD2-CE1 4.02Å; L956-F1007 HydrophobicContact CD2-CZ 4.2Å |
| 957 | L | 83.1 | Confident | 76 | Confident | 109 Ų | 109 | 68.5 Ų | 68.5 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -74.4 | -41.8 | 174.9 | -165.4 | 73 | 0 | 0 | 0 | 112.8 | T989 I991 | L957-T989 HydrophobicContact CB-CG2 4.34Å; L957-T989 HydrophobicContact CD2-CG2 4.3Å; L957-T989 PolarHBondContact N-O 2.77Å; L957-I991 HydrophobicContact CD1-CD1 4.25Å |
| 958 | D | 78.4 | Confident | 76.6 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 40% | 0.401 | 40% | 0.396 | S | S | . | . | trans | -127.1 | 116.8 | -170.2 | -64.4 | -74.4 | 0 | 0 | 0 | 110.8 | Y960 | D958-Y960 HydrophobicContact CB-CE2 4.46Š| ||
| 959 | N | 81.8 | Confident | 77.5 | Confident | 86 Ų | 86 | 76.4 Ų | 76.4 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | trans | -106.3 | -0.2 | -175.8 | 79.2 | 6.7 | 0 | 0 | 0 | 115 | N961 G962 L963 F964 | N959-N961 PolarHBondContact OD1-N 2.84Å; N959-N961 VanDerWaalsContact OD1-N 3.12Å; N959-G962 PolarHBondContact O-N 2.97Å; N959-G962 PolarHBondContact OD1-N 2.87Å; N959-G962 VanDerWaalsContact OD1-N 3.14Å; N959-L963 PolarHBondContact O-N 3.12Å; N959-F964 WeakPolarHBondContact CB-O 3.32Å; N959-F964 PolarHBondContact O-N 3.31Å; N959-F964 VanDerWaalsContact O-N 3.08Å | ||
| 960 | Y | 81.9 | Confident | 78.5 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 56.8 | -177.7 | -71.3 | -87.1 | 0 | 0 | 0 | 114.3 | D958 G962 L963 F964 Y986 K987 L988 | D958-Y960 HydrophobicContact CB-CE2 4.46Å; Y960-G962 VanDerWaalsContact C-N 3.25Å; Y960-G962 PolarHBondContact O-N 2.75Å; Y960-L963 WeakPolarHBondContact O-CB 3.14Å; Y960-L963 PolarHBondContact O-N 3.02Å; Y960-L963 VanDerWaalsContact O-N 3.11Å; Y960-F964 AromaticContact CD2-CD2 3.94Å; Y960-F964 HydrophobicContact CD2-CD2 3.94Å; Y960-F964 HydrophobicContact CD2-CE2 4.11Å; Y960-F964 HydrophobicContact CG-CD2 4.4Å; Y960-F964 HydrophobicContact CG-CE2 4.42Å; Y960-Y986 AromaticContact CD1-CD1 3.59Å; Y960-Y986 HydrophobicContact CD1-CD1 3.59Å; Y960-Y986 HydrophobicContact CD1-CE1 4.15Å; Y960-Y986 HydrophobicContact CD2-CD1 4.27Å; Y960-Y986 AromaticContact CE1-CD1 3.7Å; Y960-Y986 HydrophobicContact CE1-CD1 3.7Å; Y960-Y986 HydrophobicContact CE2-CD1 4.36Å; Y960-Y986 AromaticContact CG-CD1 3.86Å; Y960-Y986 HydrophobicContact CG-CD1 3.86Å; Y960-K987 WeakPolarHBondContact CE2-O 3.45Å; Y960-K987 PolarHBondContact OH-N 2.91Å; Y960-K987 VanDerWaalsContact OH-N 3.1Å; Y960-K987 PolarHBondContact OH-O 3.28Å; Y960-K987 VanDerWaalsContact OH-O 3.07Å; Y960-L988 HydrophobicContact CD2-CD1 4.1Å; Y960-L988 HydrophobicContact CE2-CD1 3.8Å; Y960-L988 HydrophobicContact CE2-CG 4.38Å |
| 961 | N | 79.1 | Confident | 79.2 | Confident | 157 Ų | 157 | 65 Ų | 65 | 84% | 0.84 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 30.3 | -178.2 | -62.4 | -16 | 0 | 0 | 0 | 113.9 | N959 Y978 | N959-N961 PolarHBondContact OD1-N 2.84Å; N959-N961 VanDerWaalsContact OD1-N 3.12Å; N961-Y978 PolarHBondContact O-OH 3.44Å |
| 962 | G | 77.6 | Confident | 79.9 | Confident | 27 Ų | 27 | 67 Ų | 67 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 13.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N959 Y960 F964 M977 | N959-G962 PolarHBondContact O-N 2.97Å; N959-G962 PolarHBondContact OD1-N 2.87Å; N959-G962 VanDerWaalsContact OD1-N 3.14Å; Y960-G962 VanDerWaalsContact C-N 3.25Å; Y960-G962 PolarHBondContact O-N 2.75Å; G962-F964 PolarHBondContact O-N 3.17Å; G962-M977 WeakPolarHBondContact O-CB 3.32Å; G962-M977 VanDerWaalsContact O-CG 3.24Å; G962-M977 WeakPolarHBondContact O-CG 3.36Å |
| 963 | L | 86.3 | Confident | 80.5 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -33.6 | 167.6 | 177 | 61.2 | 0 | 0 | 0 | 111.1 | N959 Y960 A976 M977 Y978 Y986 | N959-L963 PolarHBondContact O-N 3.12Å; Y960-L963 WeakPolarHBondContact O-CB 3.14Å; Y960-L963 PolarHBondContact O-N 3.02Å; Y960-L963 VanDerWaalsContact O-N 3.11Å; L963-A976 CarbonylContact O-C 3.56Å; L963-A976 WeakPolarHBondContact O-CA 3.44Å; L963-M977 PolarHBondContact O-N 2.95Å; L963-Y978 HydrophobicContact CB-CE1 4.42Å; L963-Y978 HydrophobicContact CB-CE2 4.16Å; L963-Y978 HydrophobicContact CD1-CD2 3.8Å; L963-Y978 HydrophobicContact CD1-CE2 3.62Å; L963-Y978 HydrophobicContact CD1-CG 4.37Å; L963-Y978 WeakPolarHBondContact CD1-O 3.44Å; L963-Y978 HydrophobicContact CG-CE2 4.44Å; L963-Y978 PolarHBondContact N-OH 2.77Å; L963-Y986 HydrophobicContact CD2-CD1 4.25Å; L963-Y986 HydrophobicContact CD2-CD2 4.31Å; L963-Y986 HydrophobicContact CD2-CE1 3.7Å; L963-Y986 HydrophobicContact CD2-CE2 3.76Å; L963-Y986 VanDerWaalsContact CD2-CZ 3.42Å |
| 964 | F | 91.1 | Very high | 81.1 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.3 | 178.4 | -54.7 | -65 | 0 | 0 | 0 | 113.1 | F878 N959 Y960 G962 L974 C975 A976 Y986 L988 V1009 I1011 | F878-F964 HydrophobicContact CD2-CE1 4.29Å; F878-F964 HydrophobicContact CE2-CD1 4.33Å; F878-F964 AromaticContact CE2-CE1 3.95Å; F878-F964 HydrophobicContact CE2-CE1 3.95Å; N959-F964 WeakPolarHBondContact CB-O 3.32Å; N959-F964 PolarHBondContact O-N 3.31Å; N959-F964 VanDerWaalsContact O-N 3.08Å; Y960-F964 AromaticContact CD2-CD2 3.94Å; Y960-F964 HydrophobicContact CD2-CD2 3.94Å; Y960-F964 HydrophobicContact CD2-CE2 4.11Å; Y960-F964 HydrophobicContact CG-CD2 4.4Å; Y960-F964 HydrophobicContact CG-CE2 4.42Å; G962-F964 PolarHBondContact O-N 3.17Å; F964-L974 HydrophobicContact CB-CD1 4.08Å; F964-L974 HydrophobicContact CB-CG 4.48Å; F964-L974 HydrophobicContact CD1-CD2 4.2Å; F964-C975 VanDerWaalsContact CA-O 3.26Å; F964-C975 WeakPolarHBondContact CA-O 3.47Å; F964-A976 HydrophobicContact CD1-CB 4.22Å; F964-A976 HydrophobicContact CE1-CB 4.04Å; F964-Y986 HydrophobicContact CE2-CD1 4.13Å; F964-Y986 AromaticContact CE2-CD2 3.79Å; F964-Y986 HydrophobicContact CE2-CD2 3.79Å; F964-Y986 HydrophobicContact CE2-CE2 4.45Å; F964-Y986 AromaticContact CE2-CG 3.61Å; F964-Y986 HydrophobicContact CE2-CG 3.61Å; F964-Y986 AromaticContact CZ-CD2 3.6Å; F964-Y986 HydrophobicContact CZ-CD2 3.6Å; F964-Y986 HydrophobicContact CZ-CE2 4.14Å; F964-Y986 AromaticContact CZ-CG 3.94Å; F964-Y986 HydrophobicContact CZ-CG 3.94Å; F964-L988 HydrophobicContact CB-CD2 4.01Å; F964-L988 HydrophobicContact CD2-CD1 3.98Å; F964-L988 HydrophobicContact CD2-CD2 4.12Å; F964-L988 HydrophobicContact CD2-CG 4.49Å; F964-L988 HydrophobicContact CE2-CD1 4.15Å; F964-L988 HydrophobicContact CG-CD2 4.13Å; F964-V1009 HydrophobicContact CD1-CG1 4.38Å; F964-V1009 HydrophobicContact CE1-CB 4.4Å; F964-V1009 HydrophobicContact CE1-CG1 3.54Å; F964-V1009 HydrophobicContact CE2-CG1 4.48Å; F964-V1009 HydrophobicContact CZ-CB 4.11Å; F964-V1009 HydrophobicContact CZ-CG1 3.6Å; F964-I1011 HydrophobicContact CE1-CD1 4.31Å; F964-I1011 HydrophobicContact CZ-CD1 4.14Å |
| 965 | A | 82.6 | Confident | 81.2 | Confident | 37 Ų | 37 | 61.9 Ų | 61.9 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 153 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | L974 C975 M977 | A965-L974 WeakPolarHBondContact O-CA 3.38Å; A965-C975 PolarHBondContact N-O 3.13Å; A965-C975 VanDerWaalsContact N-O 3.11Å; A965-C975 PolarHBondContact O-N 3.16Å; A965-M977 HydrophobicContact CB-SD 4.23Å |
| 966 | L | 85.4 | Confident | 81.4 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 147.1 | 161.9 | -58.2 | -177.9 | 0 | 0 | 0 | 109.4 | L934 L956 P968 V973 L974 L990 | L934-L966 HydrophobicContact CD1-CD2 3.82Å; L934-L966 HydrophobicContact CD2-CD2 4.08Å; L934-L966 HydrophobicContact CG-CD2 4.16Å; L956-L966 HydrophobicContact CD1-CD2 3.88Å; L956-L966 HydrophobicContact CD1-CG 3.72Å; L956-L966 HydrophobicContact CG-CD1 4.03Å; L956-L966 HydrophobicContact CG-CD2 4.06Å; L956-L966 HydrophobicContact CG-CG 3.78Å; L966-P968 WeakPolarHBondContact O-CD 3.34Å; L966-V973 WeakPolarHBondContact CA-O 3.19Å; L966-L974 HydrophobicContact CD2-CB 4.49Å; L966-L974 HydrophobicContact CD2-CD1 3.87Å; L966-L990 HydrophobicContact CD1-CD1 4.07Å |
| 967 | I | 80.5 | Confident | 81.2 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124.7 | 173.3 | -51.7 | -178.4 | 0 | 0 | 0 | 108.5 | C931 Q969 A970 P971 V973 C975 | C931-I967 HydrophobicContact CB-CD1 4.49Å; I967-Q969 HydrophobicContact CG2-CB 4.18Å; I967-Q969 PolarHBondContact O-N 3.3Å; I967-Q969 VanDerWaalsContact O-N 3.16Å; I967-A970 HydrophobicContact CB-CB 4.17Å; I967-A970 HydrophobicContact CG2-CB 4.4Å; I967-A970 CarbonylContact O-C 3.48Å; I967-A970 PolarHBondContact O-N 2.99Å; I967-P971 VanDerWaalsContact O-N 3.14Å; I967-V973 HydrophobicContact CD1-CB 3.91Å; I967-V973 HydrophobicContact CD1-CG1 3.59Å; I967-V973 HydrophobicContact CG1-CB 4.2Å; I967-V973 HydrophobicContact CG1-CG1 4.15Å; I967-V973 PolarHBondContact N-O 2.66Å; I967-C975 WeakPolarHBondContact CG1-SG 3.37Å |
| 968 | P | 72.1 | Confident | 80.8 | Confident | 130 Ų | 130 | 58 Ų | 58 | 84% | 0.844 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.2 | 178.6 | -25.9 | 35.6 | 0 | 0 | 0 | 114.1 | L966 | L966-P968 WeakPolarHBondContact O-CD 3.34Š|
| 969 | Q | 72.5 | Confident | 81.1 | Confident | 189 Ų | 189 | 57.1 Ų | 57.1 | 88% | 0.883 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -6 | 176.1 | -62.5 | 172.1 | -5.3 | 0 | 0 | 113.4 | I967 | I967-Q969 HydrophobicContact CG2-CB 4.18Å; I967-Q969 PolarHBondContact O-N 3.3Å; I967-Q969 VanDerWaalsContact O-N 3.16Å |
| 970 | A | 74.2 | Confident | 80.9 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 74.9 | 179 | 0 | 0 | 0 | 0 | 0 | 109.3 | I967 S972 V973 | I967-A970 HydrophobicContact CB-CB 4.17Å; I967-A970 HydrophobicContact CG2-CB 4.4Å; I967-A970 CarbonylContact O-C 3.48Å; I967-A970 PolarHBondContact O-N 2.99Å; A970-S972 PolarHBondContact O-N 3.02Å; A970-V973 HydrophobicContact CB-CB 4.28Å; A970-V973 HydrophobicContact CB-CG2 3.93Å; A970-V973 WeakPolarHBondContact O-CB 3.28Å; A970-V973 PolarHBondContact O-N 2.73Å |
| 971 | P | 73.9 | Confident | 80.4 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -14.6 | -174.9 | 25.1 | -34.7 | 0 | 0 | 0 | 113.4 | L934 L954 I967 V973 | L934-P971 VanDerWaalsContact CD1-O 3.29Å; L934-P971 WeakPolarHBondContact CD1-O 3.48Å; L954-P971 HydrophobicContact CB-CB 4.43Å; I967-P971 VanDerWaalsContact O-N 3.14Å; P971-V973 PolarHBondContact O-N 2.67Å |
| 972 | S | 77.8 | Confident | 80.5 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 2.9 | 168.8 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | L934 A970 | L934-S972 WeakPolarHBondContact CB-O 3.05Å; L934-S972 PolarHBondContact N-O 3.25Å; A970-S972 PolarHBondContact O-N 3.02Å |
| 973 | V | 83.7 | Confident | 80.5 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.3 | -176.5 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | C931 L966 I967 A970 P971 | C931-V973 HydrophobicContact CB-CG1 3.82Å; L966-V973 WeakPolarHBondContact CA-O 3.19Å; I967-V973 HydrophobicContact CD1-CB 3.91Å; I967-V973 HydrophobicContact CD1-CG1 3.59Å; I967-V973 HydrophobicContact CG1-CB 4.2Å; I967-V973 HydrophobicContact CG1-CG1 4.15Å; I967-V973 PolarHBondContact N-O 2.66Å; A970-V973 HydrophobicContact CB-CB 4.28Å; A970-V973 HydrophobicContact CB-CG2 3.93Å; A970-V973 WeakPolarHBondContact O-CB 3.28Å; A970-V973 PolarHBondContact O-N 2.73Å; P971-V973 PolarHBondContact O-N 2.67Å |
| 974 | L | 87.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.5 | 175.5 | -171.6 | 80.1 | 0 | 0 | 0 | 110.9 | V876 F878 C931 E932 L934 L956 F964 A965 L966 L988 F1007 V1009 | V876-L974 HydrophobicContact CG1-CD2 4.31Å; V876-L974 HydrophobicContact CG2-CD2 4.4Å; F878-L974 HydrophobicContact CE2-CD2 4.47Å; C931-L974 CarbonylContact C-O 3.55Å; C931-L974 VanDerWaalsContact CA-O 3.31Å; C931-L974 WeakPolarHBondContact CA-O 3.46Å; E932-L974 PolarHBondContact N-O 3.4Å; E932-L974 PolarHBondContact O-N 2.85Å; L934-L974 HydrophobicContact CD2-CB 4.05Å; L956-L974 HydrophobicContact CD1-CD1 3.67Å; F964-L974 HydrophobicContact CB-CD1 4.08Å; F964-L974 HydrophobicContact CB-CG 4.48Å; F964-L974 HydrophobicContact CD1-CD2 4.2Å; A965-L974 WeakPolarHBondContact O-CA 3.38Å; L966-L974 HydrophobicContact CD2-CB 4.49Å; L966-L974 HydrophobicContact CD2-CD1 3.87Å; L974-L988 HydrophobicContact CD1-CD2 3.77Å; L974-L988 HydrophobicContact CD2-CD2 3.91Å; L974-F1007 HydrophobicContact CD1-CZ 4.4Å; L974-F1007 HydrophobicContact CD2-CE2 3.96Å; L974-F1007 HydrophobicContact CD2-CZ 4.2Å; L974-V1009 HydrophobicContact CD2-CG2 3.57Å |
| 975 | C | 87.1 | Confident | 80 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.1 | 172.6 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | P929 V930 C931 F964 A965 I967 M977 | P929-C975 HydrophobicContact CB-CB 4.27Å; V930-C975 CarbonylContact O-C 3.53Å; V930-C975 WeakPolarHBondContact O-CA 3.48Å; C931-C975 HydrophobicContact CB-CB 4.03Å; C931-C975 WeakPolarHBondContact CB-SG 3.31Å; C931-C975 WeakPolarHBondContact SG-CB 3.46Å; C931-C975 CovalentContact SG-SG 2.04Å; C931-C975 PolarHBondContact SG-SG 2.88Å; F964-C975 VanDerWaalsContact CA-O 3.26Å; F964-C975 WeakPolarHBondContact CA-O 3.47Å; A965-C975 PolarHBondContact N-O 3.13Å; A965-C975 VanDerWaalsContact N-O 3.11Å; A965-C975 PolarHBondContact O-N 3.16Å; I967-C975 WeakPolarHBondContact CG1-SG 3.37Å; C975-M977 HydrophobicContact CB-SD 3.84Å |
| 976 | A | 87.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | F878 L883 P929 V930 L963 F964 | F878-A976 HydrophobicContact CD1-CB 4.01Å; F878-A976 HydrophobicContact CD2-CB 3.7Å; F878-A976 HydrophobicContact CE1-CB 3.94Å; F878-A976 HydrophobicContact CE2-CB 3.62Å; F878-A976 HydrophobicContact CG-CB 3.89Å; F878-A976 HydrophobicContact CZ-CB 3.75Å; L883-A976 HydrophobicContact CD2-CB 3.67Å; P929-A976 WeakPolarHBondContact CB-O 3.33Å; V930-A976 PolarHBondContact N-O 3.47Å; V930-A976 VanDerWaalsContact N-O 3.11Å; V930-A976 PolarHBondContact O-N 2.86Å; L963-A976 CarbonylContact O-C 3.56Å; L963-A976 WeakPolarHBondContact O-CA 3.44Å; F964-A976 HydrophobicContact CD1-CB 4.22Å; F964-A976 HydrophobicContact CE1-CB 4.04Å |
| 977 | M | 79.9 | Confident | 80.3 | Confident | 84 Ų | 84 | 63.2 Ų | 63.2 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | trans | -84.2 | -24.4 | -166.1 | -57.3 | -57.5 | -71.2 | 0 | 0 | 114 | P929 G962 L963 A965 C975 | P929-M977 HydrophobicContact CB-CE 4.39Å; P929-M977 HydrophobicContact CB-SD 3.87Å; P929-M977 HydrophobicContact CG-SD 4.41Å; G962-M977 WeakPolarHBondContact O-CB 3.32Å; G962-M977 VanDerWaalsContact O-CG 3.24Å; G962-M977 WeakPolarHBondContact O-CG 3.36Å; L963-M977 PolarHBondContact O-N 2.95Å; A965-M977 HydrophobicContact CB-SD 4.23Å; C975-M977 HydrophobicContact CB-SD 3.84Å | ||
| 978 | Y | 76.5 | Confident | 80.7 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -157.4 | 161.2 | -179.4 | 50 | -98.5 | 0 | 0 | 0 | 112.2 | L886 N961 L963 | L886-Y978 HydrophobicContact CD1-CD1 4.14Å; L886-Y978 HydrophobicContact CD1-CD2 3.68Å; L886-Y978 HydrophobicContact CD1-CE2 4.26Å; L886-Y978 HydrophobicContact CD1-CG 3.62Å; L886-Y978 HydrophobicContact CG-CG 4.3Å; N961-Y978 PolarHBondContact O-OH 3.44Å; L963-Y978 HydrophobicContact CB-CE1 4.42Å; L963-Y978 HydrophobicContact CB-CE2 4.16Å; L963-Y978 HydrophobicContact CD1-CD2 3.8Å; L963-Y978 HydrophobicContact CD1-CE2 3.62Å; L963-Y978 HydrophobicContact CD1-CG 4.37Å; L963-Y978 WeakPolarHBondContact CD1-O 3.44Å; L963-Y978 HydrophobicContact CG-CE2 4.44Å; L963-Y978 PolarHBondContact N-OH 2.77Å |
| 979 | R | 83.5 | Confident | 81.4 | Confident | 55 Ų | 55 | 55 Ų | 55 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | trans | -70.8 | 124.3 | 174.7 | -169.8 | -173.6 | -64.1 | -144.6 | -2.4 | 110.8 | W880 E881 L883 N884 | W880-R979 HydrophobicContact CD2-CG 4.17Å; W880-R979 HydrophobicContact CG-CG 4.31Å; W880-R979 HydrophobicContact CZ2-CG 4.16Å; W880-R979 VanDerWaalsContact CZ3-NH1 3.32Å; W880-R979 PolarHBondContact O-NE 3.32Å; W880-R979 VanDerWaalsContact O-NE 3.09Å; E881-R979 PolarHBondContact O-NH2 3.05Å; L883-R979 HydrophobicContact CB-CB 3.67Å; L883-R979 HydrophobicContact CB-CG 4.04Å; L883-R979 PolarHBondContact O-NE 2.9Å; L883-R979 PolarHBondContact O-NH2 2.79Å; N884-R979 VanDerWaalsContact O-CB 3.27Å; N884-R979 WeakPolarHBondContact O-CB 3.25Å; N884-R979 PolarHBondContact O-N 3.42Å | ||
| 980 | P | 78 | Confident | 82.1 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | trans | -71.2 | 161.7 | 171.5 | 32.1 | -37.2 | 0 | 0 | 0 | 111.4 | W880 S982 I1011 | W880-P980 PolarHBondContact NE1-O 2.65Å; P980-S982 WeakPolarHBondContact CG-O 3.25Å; P980-S982 PolarHBondContact O-N 2.71Å; P980-S982 VanDerWaalsContact O-N 3.07Å; P980-I1011 HydrophobicContact CG-CD1 3.95Å; P980-I1011 HydrophobicContact CG-CG2 4.06Å | ||
| 981 | P | 71 | Confident | 82.7 | Confident | 133 Ų | 133 | 46.2 Ų | 46.2 | 86% | 0.864 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -57.2 | -28.3 | -176.8 | -26.1 | 35.3 | 0 | 0 | 0 | 114.9 | ||
| 982 | S | 80.9 | Confident | 83.2 | Confident | 62 Ų | 62 | 43.2 Ų | 43.2 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -147.6 | 163 | 174.5 | 60.6 | 0 | 0 | 0 | 0 | 109.9 | P980 Q984 | P980-S982 WeakPolarHBondContact CG-O 3.25Å; P980-S982 PolarHBondContact O-N 2.71Å; P980-S982 VanDerWaalsContact O-N 3.07Å; S982-Q984 PolarHBondContact O-N 2.65Å |
| 983 | P | 77.7 | Confident | 83.3 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | trans | -46.7 | 133.4 | 161.5 | -31.3 | 38.8 | 0 | 0 | 0 | 112.3 | W880 I1011 | W880-P983 HydrophobicContact CB-CG 4.15Å; W880-P983 HydrophobicContact CD2-CG 4.33Å; W880-P983 HydrophobicContact CG-CG 3.92Å; P983-I1011 CarbonylContact C-O 3.59Å; P983-I1011 VanDerWaalsContact CA-O 3.24Å; P983-I1011 WeakPolarHBondContact CA-O 3.44Å; P983-I1011 VanDerWaalsContact CB-O 3.28Å; P983-I1011 WeakPolarHBondContact CB-O 3.21Å | ||
| 984 | Q | 83.8 | Confident | 82.7 | Confident | 100 Ų | 100 | 42 Ų | 42 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 158.1 | -177.2 | -174.8 | 167.1 | 15.7 | 0 | 0 | 111.6 | S982 Y986 I1011 | S982-Q984 PolarHBondContact O-N 2.65Å; Q984-Y986 HydrophobicContact CB-CE2 3.93Å; Q984-Y986 HydrophobicContact CG-CE1 4.3Å; Q984-Y986 HydrophobicContact CG-CE2 4.08Å; Q984-Y986 PolarHBondContact OE1-OH 3.33Å; Q984-I1011 PolarHBondContact N-O 2.84Å; Q984-I1011 WeakPolarHBondContact O-CB 3.26Å; Q984-I1011 PolarHBondContact O-N 3.16Å |
| 985 | T | 83.8 | Confident | 81.6 | Confident | 79 Ų | 79 | 44.3 Ų | 44.3 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 145.2 | 175.1 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | T1008 V1009 I1010 | T985-T1008 HydrophobicContact CG2-CG2 3.57Å; T985-V1009 CarbonylContact C-O 3.49Å; T985-V1009 VanDerWaalsContact CA-O 3.31Å; T985-V1009 WeakPolarHBondContact CA-O 3.47Å; T985-V1009 WeakPolarHBondContact CG2-O 3.24Å; T985-I1010 HydrophobicContact CG2-CG1 4Å |
| 986 | Y | 88.6 | Confident | 80.4 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 9% | 0.09 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 158.6 | -174.9 | -55.1 | -91.1 | 0 | 0 | 0 | 110.8 | Y960 L963 F964 Q984 T1008 V1009 I1011 | Y960-Y986 AromaticContact CD1-CD1 3.59Å; Y960-Y986 HydrophobicContact CD1-CD1 3.59Å; Y960-Y986 HydrophobicContact CD1-CE1 4.15Å; Y960-Y986 HydrophobicContact CD2-CD1 4.27Å; Y960-Y986 AromaticContact CE1-CD1 3.7Å; Y960-Y986 HydrophobicContact CE1-CD1 3.7Å; Y960-Y986 HydrophobicContact CE2-CD1 4.36Å; Y960-Y986 AromaticContact CG-CD1 3.86Å; Y960-Y986 HydrophobicContact CG-CD1 3.86Å; L963-Y986 HydrophobicContact CD2-CD1 4.25Å; L963-Y986 HydrophobicContact CD2-CD2 4.31Å; L963-Y986 HydrophobicContact CD2-CE1 3.7Å; L963-Y986 HydrophobicContact CD2-CE2 3.76Å; L963-Y986 VanDerWaalsContact CD2-CZ 3.42Å; F964-Y986 HydrophobicContact CE2-CD1 4.13Å; F964-Y986 AromaticContact CE2-CD2 3.79Å; F964-Y986 HydrophobicContact CE2-CD2 3.79Å; F964-Y986 HydrophobicContact CE2-CE2 4.45Å; F964-Y986 AromaticContact CE2-CG 3.61Å; F964-Y986 HydrophobicContact CE2-CG 3.61Å; F964-Y986 AromaticContact CZ-CD2 3.6Å; F964-Y986 HydrophobicContact CZ-CD2 3.6Å; F964-Y986 HydrophobicContact CZ-CE2 4.14Å; F964-Y986 AromaticContact CZ-CG 3.94Å; F964-Y986 HydrophobicContact CZ-CG 3.94Å; Q984-Y986 HydrophobicContact CB-CE2 3.93Å; Q984-Y986 HydrophobicContact CG-CE1 4.3Å; Q984-Y986 HydrophobicContact CG-CE2 4.08Å; Q984-Y986 PolarHBondContact OE1-OH 3.33Å; Y986-T1008 WeakPolarHBondContact O-CA 3.34Å; Y986-T1008 VanDerWaalsContact O-CG2 3.23Å; Y986-T1008 WeakPolarHBondContact O-CG2 3.46Å; Y986-V1009 PolarHBondContact N-O 2.88Å; Y986-V1009 PolarHBondContact O-N 3.35Å; Y986-I1011 HydrophobicContact CD2-CD1 4.41Å; Y986-I1011 HydrophobicContact CE2-CD1 3.88Å; Y986-I1011 HydrophobicContact CE2-CG1 4.25Å |
| 987 | K | 86.1 | Confident | 78.9 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.6 | 178.7 | -176 | -163 | 171.2 | -163.9 | 0 | 110.1 | Y960 | Y960-K987 WeakPolarHBondContact CE2-O 3.45Å; Y960-K987 PolarHBondContact OH-N 2.91Å; Y960-K987 VanDerWaalsContact OH-N 3.1Å; Y960-K987 PolarHBondContact OH-O 3.28Å; Y960-K987 VanDerWaalsContact OH-O 3.07Å |
| 988 | L | 87.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 159.6 | -176.7 | -74.8 | 67.9 | 0 | 0 | 0 | 110.6 | L956 Y960 F964 L974 H1006 F1007 V1009 | L956-L988 HydrophobicContact CD1-CD2 4.27Å; L956-L988 HydrophobicContact CD2-CB 4.16Å; L956-L988 HydrophobicContact CD2-CD2 4Å; Y960-L988 HydrophobicContact CD2-CD1 4.1Å; Y960-L988 HydrophobicContact CE2-CD1 3.8Å; Y960-L988 HydrophobicContact CE2-CG 4.38Å; F964-L988 HydrophobicContact CB-CD2 4.01Å; F964-L988 HydrophobicContact CD2-CD1 3.98Å; F964-L988 HydrophobicContact CD2-CD2 4.12Å; F964-L988 HydrophobicContact CD2-CG 4.49Å; F964-L988 HydrophobicContact CE2-CD1 4.15Å; F964-L988 HydrophobicContact CG-CD2 4.13Å; L974-L988 HydrophobicContact CD1-CD2 3.77Å; L974-L988 HydrophobicContact CD2-CD2 3.91Å; L988-H1006 WeakPolarHBondContact O-CA 3.46Å; L988-F1007 HydrophobicContact CB-CD1 4.17Å; L988-F1007 HydrophobicContact CB-CE1 3.61Å; L988-F1007 HydrophobicContact CB-CE2 4.12Å; L988-F1007 HydrophobicContact CB-CZ 3.58Å; L988-F1007 HydrophobicContact CD2-CE1 4.48Å; L988-F1007 HydrophobicContact CD2-CE2 4.19Å; L988-F1007 HydrophobicContact CD2-CZ 3.71Å; L988-F1007 HydrophobicContact CG-CZ 4.26Å; L988-F1007 PolarHBondContact N-O 2.93Å; L988-F1007 PolarHBondContact O-N 3.21Å; L988-V1009 HydrophobicContact CD1-CB 4.22Å; L988-V1009 HydrophobicContact CD1-CG2 3.56Å; L988-V1009 HydrophobicContact CD2-CG2 4.08Å; L988-V1009 HydrophobicContact CG-CG2 4.39Å |
| 989 | T | 86.9 | Confident | 76.9 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.5 | 178.2 | -49.8 | 0 | 0 | 0 | 0 | 109.3 | L956 L957 H1006 | L956-T989 WeakPolarHBondContact CA-O 3.31Å; L956-T989 WeakPolarHBondContact CD2-O 3.4Å; L957-T989 HydrophobicContact CB-CG2 4.34Å; L957-T989 HydrophobicContact CD2-CG2 4.3Å; L957-T989 PolarHBondContact N-O 2.77Å; T989-H1006 WeakPolarHBondContact CG2-ND1 3.37Å; T989-H1006 PolarHBondContact OG1-CE1 3.14Å; T989-H1006 PolarHBondContact OG1-ND1 3.12Å |
| 990 | L | 88.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.6 | -176.4 | -168.1 | 75.7 | 0 | 0 | 0 | 109 | F866 L934 L954 E955 L956 L966 Q1004 V1005 F1007 | F866-L990 HydrophobicContact CE1-CD2 3.85Å; F866-L990 HydrophobicContact CE1-CG 4.44Å; F866-L990 HydrophobicContact CZ-CD2 4.25Å; F866-L990 HydrophobicContact CZ-CG 4.34Å; L934-L990 HydrophobicContact CD1-CD1 3.81Å; L934-L990 HydrophobicContact CD1-CD2 3.91Å; L954-L990 HydrophobicContact CB-CD1 4.45Å; L954-L990 HydrophobicContact CD2-CD2 4.11Å; L954-L990 HydrophobicContact CD2-CG 4.17Å; E955-L990 CarbonylContact O-C 3.4Å; E955-L990 VanDerWaalsContact O-CA 3.31Å; E955-L990 WeakPolarHBondContact O-CA 3.42Å; L956-L990 HydrophobicContact CD2-CD1 4.29Å; L966-L990 HydrophobicContact CD1-CD1 4.07Å; L990-Q1004 CarbonylContact O-C 3.54Å; L990-Q1004 WeakPolarHBondContact O-CA 3.47Å; L990-V1005 HydrophobicContact CB-CG1 4Å; L990-V1005 HydrophobicContact CD2-CG1 4.27Å; L990-V1005 PolarHBondContact N-O 2.92Å; L990-V1005 PolarHBondContact O-N 3.13Å; L990-F1007 HydrophobicContact CB-CE1 4.39Å |
| 991 | I | 85.4 | Confident | 75.9 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.1 | -179.5 | -62.8 | 172.4 | 0 | 0 | 0 | 109 | L954 E955 L957 K993 Q1004 | L954-I991 WeakPolarHBondContact CA-O 3.49Å; E955-I991 HydrophobicContact CB-CB 4.48Å; E955-I991 PolarHBondContact N-O 2.7Å; E955-I991 VanDerWaalsContact N-O 3.13Å; E955-I991 PolarHBondContact O-N 3.45Å; L957-I991 HydrophobicContact CD1-CD1 4.25Å; I991-K993 HydrophobicContact CG2-CG 4.27Å; I991-Q1004 HydrophobicContact CG1-CB 4.23Å |
| 992 | A | 84.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F866 V938 C952 I953 L954 S1002 S1003 | F866-A992 HydrophobicContact CD2-CB 4.39Å; F866-A992 HydrophobicContact CE1-CB 4.33Å; F866-A992 HydrophobicContact CE2-CB 3.51Å; F866-A992 HydrophobicContact CZ-CB 3.48Å; F866-A992 VanDerWaalsContact CZ-CB 3.48Å; V938-A992 HydrophobicContact CG1-CB 3.97Å; V938-A992 HydrophobicContact CG2-CB 3.79Å; C952-A992 HydrophobicContact CB-CB 4.43Å; I953-A992 WeakPolarHBondContact O-CA 3.16Å; L954-A992 HydrophobicContact CD2-CB 4.24Å; A992-S1002 WeakPolarHBondContact O-CA 3.36Å; A992-S1002 WeakPolarHBondContact O-CB 3.45Å; A992-S1003 PolarHBondContact N-O 3.11Å; A992-S1003 PolarHBondContact O-N 3.39Å |
| 993 | K | 80.7 | Confident | 76.4 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.4 | 177.8 | -54.9 | 173.3 | -170.7 | 165.7 | 0 | 109.8 | C952 I953 E955 I991 G995 | C952-K993 CarbonylContact C-O 3.57Å; C952-K993 WeakPolarHBondContact CA-O 3.29Å; I953-K993 PolarHBondContact N-O 3.01Å; I953-K993 PolarHBondContact O-N 2.99Å; E955-K993 IonicContact OE1-NZ 3.68Å; E955-K993 PolarHBondContact OE1-NZ 2.86Å; E955-K993 WeakPolarHBondContact OE2-CE 3.27Å; E955-K993 IonicContact OE2-NZ 3.89Å; E955-K993 PolarHBondContact OE2-NZ 2.98Å; I991-K993 HydrophobicContact CG2-CG 4.27Å; K993-G995 PolarHBondContact O-N 2.85Å |
| 994 | D | 70.3 | Confident | 76.9 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.07 | 35% | 0.346 | C | S | . | . | trans | -57.9 | 0 | -175.8 | -168.9 | 36.5 | 0 | 0 | 0 | 116.7 | P864 L996 L1001 | P864-D994 HydrophobicContact CG-CB 3.98Å; D994-L996 PolarHBondContact O-N 2.93Å; D994-L1001 HydrophobicContact CB-CB 4.4Å | ||
| 995 | G | 64.2 | Low | 77 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 74.6 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | K993 | K993-G995 PolarHBondContact O-N 2.85Š|
| 996 | L | 62.9 | Low | 77.2 | Confident | 112 Ų | 112 | 59.3 Ų | 59.3 | 59% | 0.586 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -69.5 | 156 | 163.1 | -60 | 178 | 0 | 0 | 0 | 110.2 | D994 N998 | D994-L996 PolarHBondContact O-N 2.93Å; L996-N998 PolarHBondContact O-N 3.18Å |
| 997 | T | 55.9 | Low | 77 | Confident | 143 Ų | 143 | 58.5 Ų | 58.5 | 88% | 0.877 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -75.7 | 24.9 | -167.9 | 58.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 998 | N | 56.7 | Low | 77.1 | Confident | 93 Ų | 93 | 56 Ų | 56 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | trans | -105 | 85.8 | 178.6 | -86.2 | -13.4 | 0 | 0 | 0 | 110.9 | L996 S1000 L1001 | L996-N998 PolarHBondContact O-N 3.18Å; N998-S1000 PolarHBondContact O-N 2.89Å; N998-L1001 PolarHBondContact O-N 3.03Å; N998-L1001 VanDerWaalsContact O-N 3.15Å | ||
| 999 | D | 58 | Low | 77 | Confident | 121 Ų | 121 | 56 Ų | 56 | 65% | 0.647 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -13.3 | 173.4 | -74.4 | -46.4 | 0 | 0 | 0 | 113.9 | L1001 S1002 | D999-L1001 PolarHBondContact O-N 3.37Å; D999-S1002 PolarHBondContact O-OG 2.83Å |
| 1000 | S | 68.6 | Low | 77 | Confident | 96 Ų | 96 | 57.9 Ų | 57.9 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.9 | 174.3 | 49.9 | 0 | 0 | 0 | 0 | 114.6 | N998 | N998-S1000 PolarHBondContact O-N 2.89Š|
| 1001 | L | 72.1 | Confident | 76.9 | Confident | 35 Ų | 35 | 58 Ų | 58 | 18% | 0.183 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -115.8 | 66.9 | -178.9 | -56 | 176.2 | 0 | 0 | 0 | 109.5 | N862 R863 P864 D994 N998 D999 | N862-L1001 WeakPolarHBondContact O-CD1 3.41Å; N862-L1001 WeakPolarHBondContact O-CD2 3.48Å; R863-L1001 HydrophobicContact CB-CB 4.32Å; R863-L1001 HydrophobicContact CB-CD2 4.08Å; P864-L1001 VanDerWaalsContact CD-O 3.32Å; P864-L1001 WeakPolarHBondContact CD-O 3.46Å; D994-L1001 HydrophobicContact CB-CB 4.4Å; N998-L1001 PolarHBondContact O-N 3.03Å; N998-L1001 VanDerWaalsContact O-N 3.15Å; D999-L1001 PolarHBondContact O-N 3.37Å |
| 1002 | S | 78.3 | Confident | 76.7 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 44% | 0.441 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.3 | -179.8 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | A992 D999 | A992-S1002 WeakPolarHBondContact O-CA 3.36Å; A992-S1002 WeakPolarHBondContact O-CB 3.45Å; D999-S1002 PolarHBondContact O-OG 2.83Å |
| 1003 | S | 84.6 | Confident | 76.2 | Confident | 26 Ų | 26 | 66 Ų | 66 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 167.4 | 180 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | P864 F866 A992 | P864-S1003 WeakPolarHBondContact O-CB 3.38Å; P864-S1003 PolarHBondContact O-OG 3.37Å; F866-S1003 WeakPolarHBondContact CD2-OG 3.35Å; A992-S1003 PolarHBondContact N-O 3.11Å; A992-S1003 PolarHBondContact O-N 3.39Å |
| 1004 | Q | 87 | Confident | 75.6 | Confident | 140 Ų | 140 | 67.2 Ų | 67.2 | 65% | 0.654 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 152 | -173.1 | 58.7 | 177.9 | -13.4 | 0 | 0 | 112.8 | L990 I991 | L990-Q1004 CarbonylContact O-C 3.54Å; L990-Q1004 WeakPolarHBondContact O-CA 3.47Å; I991-Q1004 HydrophobicContact CG1-CB 4.23Å |
| 1005 | V | 87 | Confident | 75.2 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 153.9 | -179.4 | 72.2 | 0 | 0 | 0 | 0 | 112.2 | F866 H936 L990 | F866-V1005 HydrophobicContact CD1-CB 4.33Å; F866-V1005 HydrophobicContact CD1-CG1 3.68Å; F866-V1005 HydrophobicContact CD2-CB 4.13Å; F866-V1005 HydrophobicContact CD2-CG1 4.15Å; F866-V1005 HydrophobicContact CE1-CG1 3.64Å; F866-V1005 HydrophobicContact CE2-CB 4.4Å; F866-V1005 HydrophobicContact CE2-CG1 4.11Å; F866-V1005 HydrophobicContact CG-CB 4.09Å; F866-V1005 HydrophobicContact CG-CG1 3.94Å; F866-V1005 HydrophobicContact CZ-CG1 3.85Å; H936-V1005 HydrophobicContact CB-CG1 4.33Å; H936-V1005 VanDerWaalsContact CE1-CG2 3.47Å; H936-V1005 WeakPolarHBondContact CE1-CG2 3.37Å; H936-V1005 WeakPolarHBondContact NE2-CG2 3.41Å; L990-V1005 HydrophobicContact CB-CG1 4Å; L990-V1005 HydrophobicContact CD2-CG1 4.27Å; L990-V1005 PolarHBondContact N-O 2.92Å; L990-V1005 PolarHBondContact O-N 3.13Å |
| 1006 | H | 86.3 | Confident | 74.9 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151.9 | 177.7 | -61.5 | -63.5 | 0 | 0 | 0 | 112.3 | L988 T989 | L988-H1006 WeakPolarHBondContact O-CA 3.46Å; T989-H1006 WeakPolarHBondContact CG2-ND1 3.37Å; T989-H1006 PolarHBondContact OG1-CE1 3.14Å; T989-H1006 PolarHBondContact OG1-ND1 3.12Å |
| 1007 | F | 85.6 | Confident | 74.4 | Confident | 5 Ų | 5 | 77.7 Ų | 77.7 | 2% | 0.022 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 173.6 | 171.1 | 72 | -80.9 | 0 | 0 | 0 | 112.6 | V876 L934 P935 L956 L974 L988 L990 V1009 | V876-F1007 HydrophobicContact CG2-CD2 4.27Å; V876-F1007 HydrophobicContact CG2-CE2 4.06Å; L934-F1007 HydrophobicContact CD2-CE1 3.86Å; L934-F1007 HydrophobicContact CD2-CE2 3.91Å; L934-F1007 HydrophobicContact CD2-CZ 3.4Å; L934-F1007 VanDerWaalsContact CD2-CZ 3.4Å; P935-F1007 HydrophobicContact CG-CB 3.76Å; P935-F1007 HydrophobicContact CG-CD2 4.21Å; P935-F1007 HydrophobicContact CG-CG 4.04Å; L956-F1007 HydrophobicContact CD2-CE1 4.02Å; L956-F1007 HydrophobicContact CD2-CZ 4.2Å; L974-F1007 HydrophobicContact CD1-CZ 4.4Å; L974-F1007 HydrophobicContact CD2-CE2 3.96Å; L974-F1007 HydrophobicContact CD2-CZ 4.2Å; L988-F1007 HydrophobicContact CB-CD1 4.17Å; L988-F1007 HydrophobicContact CB-CE1 3.61Å; L988-F1007 HydrophobicContact CB-CE2 4.12Å; L988-F1007 HydrophobicContact CB-CZ 3.58Å; L988-F1007 HydrophobicContact CD2-CE1 4.48Å; L988-F1007 HydrophobicContact CD2-CE2 4.19Å; L988-F1007 HydrophobicContact CD2-CZ 3.71Å; L988-F1007 HydrophobicContact CG-CZ 4.26Å; L988-F1007 PolarHBondContact N-O 2.93Å; L988-F1007 PolarHBondContact O-N 3.21Å; L990-F1007 HydrophobicContact CB-CE1 4.39Å; F1007-V1009 HydrophobicContact CD2-CG2 4.3Å; F1007-V1009 HydrophobicContact CE2-CG2 3.77Å |
| 1008 | T | 87 | Confident | 73.8 | Confident | 54 Ų | 54 | 82.2 Ų | 82.2 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 149.6 | -173.4 | -36.7 | 0 | 0 | 0 | 0 | 111.4 | H875 V876 T985 Y986 | H875-T1008 CarbonylContact C-O 3.52Å; H875-T1008 WeakPolarHBondContact CA-O 3.34Å; H875-T1008 WeakPolarHBondContact CB-O 3.09Å; V876-T1008 PolarHBondContact N-O 2.8Å; T985-T1008 HydrophobicContact CG2-CG2 3.57Å; Y986-T1008 WeakPolarHBondContact O-CA 3.34Å; Y986-T1008 VanDerWaalsContact O-CG2 3.23Å; Y986-T1008 WeakPolarHBondContact O-CG2 3.46Å |
| 1009 | V | 86.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.2 | 177 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | V876 F878 F964 L974 T985 Y986 L988 F1007 | V876-V1009 HydrophobicContact CB-CG1 4.35Å; V876-V1009 HydrophobicContact CB-CG2 4.13Å; V876-V1009 HydrophobicContact CG1-CG1 4.27Å; V876-V1009 CarbonylContact O-C 3.52Å; V876-V1009 WeakPolarHBondContact O-CA 3.08Å; F878-V1009 HydrophobicContact CD2-CG1 3.74Å; F878-V1009 HydrophobicContact CE2-CG1 3.61Å; F964-V1009 HydrophobicContact CD1-CG1 4.38Å; F964-V1009 HydrophobicContact CE1-CB 4.4Å; F964-V1009 HydrophobicContact CE1-CG1 3.54Å; F964-V1009 HydrophobicContact CE2-CG1 4.48Å; F964-V1009 HydrophobicContact CZ-CB 4.11Å; F964-V1009 HydrophobicContact CZ-CG1 3.6Å; L974-V1009 HydrophobicContact CD2-CG2 3.57Å; T985-V1009 CarbonylContact C-O 3.49Å; T985-V1009 VanDerWaalsContact CA-O 3.31Å; T985-V1009 WeakPolarHBondContact CA-O 3.47Å; T985-V1009 WeakPolarHBondContact CG2-O 3.24Å; Y986-V1009 PolarHBondContact N-O 2.88Å; Y986-V1009 PolarHBondContact O-N 3.35Å; L988-V1009 HydrophobicContact CD1-CB 4.22Å; L988-V1009 HydrophobicContact CD1-CG2 3.56Å; L988-V1009 HydrophobicContact CD2-CG2 4.08Å; L988-V1009 HydrophobicContact CG-CG2 4.39Å; F1007-V1009 HydrophobicContact CD2-CG2 4.3Å; F1007-V1009 HydrophobicContact CE2-CG2 3.77Å |
| 1010 | I | 86.7 | Confident | 71.7 | Confident | 47 Ų | 47 | 84.5 Ų | 84.5 | 24% | 0.241 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.2 | -173.9 | -55.8 | 176.5 | 0 | 0 | 0 | 110 | H875 V876 T877 F878 T985 | H875-I1010 HydrophobicContact CB-CD1 4.48Å; V876-I1010 PolarHBondContact O-N 2.82Å; T877-I1010 CarbonylContact C-O 3.49Å; T877-I1010 VanDerWaalsContact CA-O 3.31Å; T877-I1010 WeakPolarHBondContact CA-O 3.36Å; T877-I1010 HydrophobicContact CG2-CB 4.39Å; F878-I1010 PolarHBondContact N-O 3.17Å; T985-I1010 HydrophobicContact CG2-CG1 4Å |
| 1011 | I | 86.6 | Confident | 70.1 | Confident | 3 Ų | 3 | 87.1 Ų | 87.1 | 2% | 0.015 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.5 | 175.2 | -51.7 | -172.3 | 0 | 0 | 0 | 109.2 | F878 W880 L883 F964 P980 P983 Q984 Y986 | F878-I1011 HydrophobicContact CB-CG1 4.27Å; F878-I1011 HydrophobicContact CD2-CG1 4.34Å; F878-I1011 WeakPolarHBondContact O-CA 3.33Å; W880-I1011 HydrophobicContact CB-CG2 4.08Å; W880-I1011 HydrophobicContact CG-CG2 4.44Å; L883-I1011 HydrophobicContact CD1-CD1 4.03Å; L883-I1011 HydrophobicContact CD1-CG2 3.56Å; F964-I1011 HydrophobicContact CE1-CD1 4.31Å; F964-I1011 HydrophobicContact CZ-CD1 4.14Å; P980-I1011 HydrophobicContact CG-CD1 3.95Å; P980-I1011 HydrophobicContact CG-CG2 4.06Å; P983-I1011 CarbonylContact C-O 3.59Å; P983-I1011 VanDerWaalsContact CA-O 3.24Å; P983-I1011 WeakPolarHBondContact CA-O 3.44Å; P983-I1011 VanDerWaalsContact CB-O 3.28Å; P983-I1011 WeakPolarHBondContact CB-O 3.21Å; Q984-I1011 PolarHBondContact N-O 2.84Å; Q984-I1011 WeakPolarHBondContact O-CB 3.26Å; Q984-I1011 PolarHBondContact O-N 3.16Å; Y986-I1011 HydrophobicContact CD2-CD1 4.41Å; Y986-I1011 HydrophobicContact CE2-CD1 3.88Å; Y986-I1011 HydrophobicContact CE2-CG1 4.25Å |
| 1012 | R | 80.9 | Confident | 68.3 | Low | 135 Ų | 135 | 95.6 Ų | 95.6 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 154.7 | -168.8 | 65.7 | 178.2 | -179.7 | 85.7 | -1.3 | 114.5 | T877 F878 T879 W880 | T877-R1012 HydrophobicContact CG2-CG 4.21Å; F878-R1012 PolarHBondContact O-N 2.88Å; F878-R1012 VanDerWaalsContact O-N 3.1Å; T879-R1012 CarbonylContact C-O 3.54Å; T879-R1012 VanDerWaalsContact CA-O 3.25Å; T879-R1012 WeakPolarHBondContact CA-O 3.25Å; W880-R1012 PolarHBondContact N-O 3.35Å |
| 1013 | S | 74.7 | Confident | 66 | Low | 67 Ų | 67 | 100.6 Ų | 100.6 | 47% | 0.469 | 49% | 0.494 | S | S | . | . | trans | -87 | 155.7 | -177.4 | 44.2 | 0 | 0 | 0 | 0 | 115.6 | E881 | E881-S1013 WeakPolarHBondContact OE1-CA 3.33Å; E881-S1013 WeakPolarHBondContact OE1-CB 3.5Å; E881-S1013 VanDerWaalsContact OE2-CA 3.24Å; E881-S1013 WeakPolarHBondContact OE2-CA 3.47Å | ||
| 1014 | D | 68.2 | Low | 63.5 | Low | 79 Ų | 79 | 105.1 Ų | 105.1 | 42% | 0.422 | 52% | 0.517 | S | S | . | . | trans | -95.8 | 125.1 | -179.3 | -179 | 16 | 0 | 0 | 0 | 113.8 | E881 N1016 | E881-D1014 VanDerWaalsContact CD-N 3.35Å; E881-D1014 PolarHBondContact OE1-N 2.83Å; E881-D1014 PolarHBondContact OE2-N 2.84Å; D1014-N1016 PolarHBondContact OD1-ND2 2.86Å | ||
| 1015 | P | 60.8 | Low | 60.8 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 71% | 0.708 | 52% | 0.515 | S | S | * | . | trans | -87.1 | 6.3 | -171.2 | 31.2 | -34.9 | 0 | 0 | 0 | 119 | ||||
| 1016 | N | 58.2 | Low | 58 | Low | 126 Ų | 126 | 108.3 Ų | 108.3 | 67% | 0.674 | 54% | 0.537 | S | S | * | . | trans | -115.9 | 15.9 | -151.8 | -68.3 | -59.4 | 0 | 0 | 0 | 121.8 | D1014 | D1014-N1016 PolarHBondContact OD1-ND2 2.86Š| ||
| 1017 | L | 53.5 | Low | 55.5 | Low | 157 Ų | 157 | 111.1 Ų | 111.1 | 82% | 0.822 | 55% | 0.55 | S | S | * | * | trans | -98.3 | 115 | -172.1 | -91.9 | 74.7 | 0 | 0 | 0 | 117.6 | ||||
| 1018 | R | 42.3 | Very low | 52.9 | Low | 238 Ų | 238 | 121.4 Ų | 121.4 | 90% | 0.898 | 59% | 0.589 | S | S | * | * | trans | -156.4 | 108.1 | 158.3 | -99.7 | -171.4 | 179.5 | -176.3 | 0.8 | 114.7 | ||||
| 1019 | I | 36.9 | Very low | 50 | Low | 160 Ų | 160 | 123.5 Ų | 123.5 | 82% | 0.821 | 61% | 0.605 | S | S | * | * | trans | 56.4 | 131.2 | 147 | -56.9 | -179.3 | 0 | 0 | 0 | 122.3 | ||||
| 1020 | S | 33.1 | Very low | 47.3 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 64% | 0.636 | S | S | * | * | trans | 69 | 102.9 | 154.9 | 68.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1021 | E | 36.5 | Very low | 44.7 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | 44.9 | 121.7 | 128.2 | -66.7 | -145 | 105.6 | 0 | 0 | 123.8 | |||||
| 1022 | R | 32.6 | Very low | 42.4 | Very low | 212 Ų | 212 | 142.7 Ų | 142.7 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | 45.5 | 135.2 | 126 | -72.3 | 172.5 | 171.2 | 154.3 | -9 | 119.1 | |||||
| 1023 | K | 32 | Very low | 40.1 | Very low | 169 Ų | 169 | 139 Ų | 139 | 74% | 0.735 | 71% | 0.707 | S | S | * | * | cis | -174.3 | 162.5 | 41.4 | -137 | -179.9 | -175.2 | 175.4 | 0 | 110.5 | ||||
| 1024 | N | 30.9 | Very low | 38.1 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 65% | 0.647 | 71% | 0.713 | S | S | * | * | trans | 66 | 154.4 | 160.2 | -66.9 | 16.6 | 0 | 0 | 0 | 116.6 | ||||
| 1025 | N | 29.9 | Very low | 36.1 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | cis | -161.9 | 157.5 | -14.5 | -113 | 8.2 | 0 | 0 | 0 | 111.6 | ||||
| 1026 | N | 29.2 | Very low | 34.6 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | 67.5 | 157.1 | 152.6 | -57.7 | -1.9 | 0 | 0 | 0 | 120.2 | ||||
| 1027 | H | 33 | Very low | 33.4 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | trans | 58.2 | 114.2 | 170.5 | -51.6 | -65.8 | 0 | 0 | 0 | 115.3 | ||||
| 1028 | R | 30.2 | Very low | 32.3 | Very low | 220 Ų | 220 | 147.3 Ų | 147.3 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | cis | 52.4 | 75.4 | 20 | -158.1 | -172.2 | -179.7 | 176.5 | 4.3 | 115.4 | D1030 | R1028-D1030 IonicContact NE-OD2 3.27Š| ||
| 1029 | S | 28.1 | Very low | 31.5 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | -163.8 | 103.8 | 137.8 | 48 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1030 | D | 29.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | 62.3 | 137 | 75.4 | -68.1 | -53.1 | 0 | 0 | 0 | 112.9 | R1028 | R1028-D1030 IonicContact NE-OD2 3.27Š| |||
| 1031 | Q | 31.8 | Very low | 30.4 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | 67.4 | 85.9 | 163.9 | -63.9 | 167.2 | -15.9 | 0 | 0 | 118.6 | I1034 | Q1031-I1034 HydrophobicContact CB-CD1 4.39Å; Q1031-I1034 HydrophobicContact CG-CD1 4.04Å | ||
| 1032 | L | 38.7 | Very low | 30 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 95% | 0.948 | 71% | 0.714 | S | S | * | * | -132.9 | 116.5 | 102.3 | -83.9 | 128.7 | 0 | 0 | 0 | 106.6 | |||||
| 1033 | G | 32.9 | Very low | 30.2 | Very low | 58 Ų | 58 | 140.3 Ų | 140.3 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | cis | 79.2 | 155.6 | 11.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1034 | I | 31.3 | Very low | 29.9 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 60% | 0.595 | 72% | 0.721 | S | S | * | * | cis | -164.6 | 162.6 | 6.6 | -130.1 | 162.3 | 0 | 0 | 0 | 108.3 | Q1031 | Q1031-I1034 HydrophobicContact CB-CD1 4.39Å; Q1031-I1034 HydrophobicContact CG-CD1 4.04Å | ||
| 1035 | D | 27.8 | Very low | 29.8 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | trans | 64.5 | 156.1 | 173 | -56.5 | -22.9 | 0 | 0 | 0 | 117.4 | ||||
| 1036 | Y | 27.9 | Very low | 29.7 | Very low | 220 Ų | 220 | 143.2 Ų | 143.2 | 86% | 0.863 | 72% | 0.722 | S | S | * | * | cis | -116.8 | 129.6 | 9.4 | -87.6 | -98.8 | 0 | 0 | 0 | 114.3 | ||||
| 1037 | L | 34.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 145 Ų | 145 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | -85.9 | 178.4 | 150.5 | -109.9 | 170.4 | 0 | 0 | 0 | 109.6 | ||||
| 1038 | T | 29.5 | Very low | 29.7 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | trans | 71.3 | 138.8 | 155.5 | 35 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1039 | E | 26.9 | Very low | 29.6 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | 65.2 | 105.9 | 145.7 | -66.7 | -178.8 | 176.2 | 0 | 0 | 121.5 | ||||
| 1040 | K | 23.4 | Very low | 29.6 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | -142.3 | 122.5 | 102.6 | -98.4 | 143.2 | -175.3 | 173.2 | 0 | 108.9 | |||||
| 1041 | Q | 22.6 | Very low | 29.7 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | 57.6 | 98.3 | 81.5 | -66.6 | 176 | -9.4 | 0 | 0 | 110.2 | |||||
| 1042 | S | 28.9 | Very low | 29.6 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | 64.7 | 120.5 | 78 | 75.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1043 | N | 35.9 | Very low | 29.3 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | 57.6 | 88.2 | 168.9 | -58.5 | -5.4 | 0 | 0 | 0 | 116.7 | ||||
| 1044 | F | 25.6 | Very low | 29.2 | Very low | 209 Ų | 209 | 142.5 Ų | 142.5 | 92% | 0.917 | 71% | 0.713 | S | S | * | * | trans | -135.3 | 95.8 | 131.2 | -95.3 | -81.3 | 0 | 0 | 0 | 106.2 | ||||
| 1045 | D | 29.8 | Very low | 29.1 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | 78.3 | 135.5 | 51.1 | -162.3 | 24.9 | 0 | 0 | 0 | 113.3 | |||||
| 1046 | Q | 26 | Very low | 29.3 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | 56.2 | 105.7 | 172.3 | -74.4 | 160.5 | 66.8 | 0 | 0 | 120.2 | ||||
| 1047 | N | 35 | Very low | 29.4 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | 31.2 | 99.4 | 112.5 | -67.7 | -24.7 | 0 | 0 | 0 | 118.4 | |||||
| 1048 | K | 27.3 | Very low | 29.2 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 85% | 0.852 | 70% | 0.7 | S | S | * | * | trans | -153.1 | 128.4 | 134.6 | -110 | 154.7 | -178.1 | 176 | 0 | 108.8 | ||||
| 1049 | L | 29.5 | Very low | 29.4 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | cis | 73.4 | 141.3 | 36.8 | -162.5 | 86.1 | 0 | 0 | 0 | 112.6 | ||||
| 1050 | H | 28.7 | Very low | 29.6 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 62% | 0.616 | 71% | 0.71 | S | S | * | * | trans | 79.1 | 126.9 | -167.2 | -80.5 | 40.6 | 0 | 0 | 0 | 112.3 | ||||
| 1051 | N | 30.9 | Very low | 30 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 59% | 0.594 | 71% | 0.707 | S | S | * | * | 62.4 | 138.8 | 56.3 | -48.6 | -9.8 | 0 | 0 | 0 | 108.7 | L1053 | N1051-L1053 HydrophobicContact CB-CD1 4.48Š| |||
| 1052 | D | 29.1 | Very low | 30.7 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | cis | -117 | 154.5 | 34.8 | -75.1 | -44 | 0 | 0 | 0 | 112.5 | ||||
| 1053 | L | 32.1 | Very low | 31 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | 57.4 | 141.2 | 56.8 | -64 | 167.6 | 0 | 0 | 0 | 110.1 | N1051 | N1051-L1053 HydrophobicContact CB-CD1 4.48Š| |||
| 1054 | T | 31.8 | Very low | 31 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 61% | 0.607 | 72% | 0.722 | S | S | * | * | cis | -162.1 | 172 | 26.7 | -20.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1055 | N | 29.2 | Very low | 31.3 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | trans | 80.2 | 108.1 | 137.3 | -75.4 | -21.7 | 0 | 0 | 0 | 121 | ||||
| 1056 | N | 30.4 | Very low | 31.6 | Very low | 117 Ų | 117 | 147 Ų | 147 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | 80.7 | 152.6 | 110 | -62.8 | -6.7 | 0 | 0 | 0 | 120.2 | |||||
| 1057 | N | 31.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 58% | 0.583 | 73% | 0.726 | S | S | * | * | cis | -169.9 | 173.5 | -25.7 | -104.7 | -17.8 | 0 | 0 | 0 | 108.1 | ||||
| 1058 | F | 29.7 | Very low | 31.8 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | 72.9 | 119.6 | 164 | -54.3 | -67.4 | 0 | 0 | 0 | 115 | ||||
| 1059 | N | 32.7 | Very low | 32.2 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | cis | 84.7 | 155.7 | 32.5 | -160.1 | 14.3 | 0 | 0 | 0 | 113.7 | ||||
| 1060 | Y | 32.2 | Very low | 32.3 | Very low | 216 Ų | 216 | 145.2 Ų | 145.2 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | trans | 74.7 | 122.9 | -160.6 | -64.4 | -93 | 0 | 0 | 0 | 114 | ||||
| 1061 | G | 32.7 | Very low | 32.3 | Very low | 73 Ų | 73 | 145.9 Ų | 145.9 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | cis | 124.7 | 142.4 | -17.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1062 | E | 36.8 | Very low | 32.4 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 93% | 0.93 | 72% | 0.719 | S | S | * | * | trans | -152.2 | 176.6 | 170.5 | -139.6 | 165.7 | -153.7 | 0 | 0 | 112.8 | ||||
| 1063 | R | 33.9 | Very low | 32.4 | Very low | 230 Ų | 230 | 150.9 Ų | 150.9 | 87% | 0.868 | 72% | 0.723 | S | S | * | * | trans | -147.4 | 148.7 | -167.4 | -63.4 | 171.7 | 172.2 | 154.2 | -5 | 113 | ||||
| 1064 | D | 35.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 60% | 0.604 | 72% | 0.722 | S | S | * | * | 179.8 | 132.3 | 117 | -103.4 | 1.2 | 0 | 0 | 0 | 110.6 | |||||
| 1065 | R | 33.8 | Very low | 32.1 | Very low | 207 Ų | 207 | 151.8 Ų | 151.8 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | 66.3 | 142.6 | 96 | -65 | -179.5 | 172.4 | 150.4 | -14.3 | 114.7 | |||||
| 1066 | L | 35.8 | Very low | 32 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | cis | -159.4 | 120.2 | 28.2 | -167.1 | 75 | 0 | 0 | 0 | 115 | ||||
| 1067 | N | 30.8 | Very low | 32 | Very low | 136 Ų | 136 | 155.6 Ų | 155.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 31.8 | 159 | 132.2 | -148.1 | 16 | 0 | 0 | 0 | 125.2 | ||||
| 1068 | K | 34 | Very low | 31.9 | Very low | 158 Ų | 158 | 158 Ų | 158 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | 80.2 | 149.1 | 163.3 | -64.2 | -179.3 | 148.9 | -86.3 | 0 | 117.7 | ||||
| 1069 | D | 34.5 | Very low | 32 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 58% | 0.578 | 77% | 0.767 | S | S | * | * | cis | -154.2 | 176.9 | -16.2 | -91.2 | -27.9 | 0 | 0 | 0 | 104.9 | ||||
| 1070 | Y | 33.1 | Very low | 31.8 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | cis | -154.8 | 165.8 | 10.4 | -134.4 | -67.1 | 0 | 0 | 0 | 107.8 | ||||
| 1071 | L | 28.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -150.7 | 127.7 | -179.1 | -178 | 166.5 | 0 | 0 | 0 | 111.9 | ||||
| 1072 | H | 33.5 | Very low | 31.8 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | -176.5 | 156.1 | 166.8 | -101.4 | -6 | 0 | 0 | 0 | 111.4 | ||||
| 1073 | R | 28.9 | Very low | 31.4 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | cis | -157.2 | 149.9 | -4 | 166.3 | 173.2 | -66.9 | -153 | 1.4 | 109.9 | ||||
| 1074 | S | 26.9 | Very low | 31.3 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | -91.1 | 158.3 | 172.2 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1075 | L | 29.4 | Very low | 31 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | 167.9 | 147 | 122.3 | -89.7 | 161.4 | 0 | 0 | 0 | 114.8 | |||||
| 1076 | N | 27.6 | Very low | 30.8 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -27.5 | 147.5 | 169.9 | -45.7 | -6.7 | 0 | 0 | 0 | 119 | ||||
| 1077 | L | 31.2 | Very low | 30.6 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | -158.6 | 141 | 133 | -112.9 | 160.7 | 0 | 0 | 0 | 110.6 | ||||
| 1078 | D | 27.7 | Very low | 30.8 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -77.6 | 153.4 | -175.7 | -62.5 | -80.3 | 0 | 0 | 0 | 113.7 | ||||
| 1079 | G | 32.1 | Very low | 30.6 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -169.2 | 95.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1080 | S | 30 | Very low | 30.5 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -92 | 141.2 | -179.7 | 57.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1081 | A | 32.1 | Very low | 30.3 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | 180 | 131.4 | 128.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1082 | N | 30.9 | Very low | 30.2 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 21.3 | 145.8 | 135.4 | -60 | -8.7 | 0 | 0 | 0 | 121.1 | ||||
| 1083 | S | 30.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | cis | -178.7 | 153.5 | -11.6 | 49.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1084 | G | 31 | Very low | 29.7 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 160.9 | 87.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1085 | L | 29.2 | Very low | 29.8 | Very low | 163 Ų | 163 | 129 Ų | 129 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -116.6 | 171.6 | -174.1 | -83.9 | 157.8 | 0 | 0 | 0 | 112.6 | ||||
| 1086 | L | 28.9 | Very low | 29.6 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 65% | 0.654 | 79% | 0.794 | S | S | * | * | trans | 87.1 | 86.9 | 145.3 | -80.4 | 142.7 | 0 | 0 | 0 | 120.9 | ||||
| 1087 | Y | 33.2 | Very low | 29.6 | Very low | 214 Ų | 214 | 126.5 Ų | 126.5 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | 91 | 160 | 116.5 | -82.5 | -153.7 | 0 | 0 | 0 | 122.2 | |||||
| 1088 | P | 33.4 | Very low | 29.4 | Very low | 107 Ų | 107 | 123 Ų | 123 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | -124.1 | -173.5 | -169.5 | 44.2 | -29.2 | 0 | 0 | 0 | 115.4 | ||||
| 1089 | S | 30.4 | Very low | 29.4 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 77.4 | 143.8 | 164 | 78.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1090 | G | 33.1 | Very low | 29.1 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 157.1 | 132.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1091 | L | 28.7 | Very low | 29 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -106.9 | 158.2 | -166.5 | -136 | 76.1 | 0 | 0 | 0 | 114 | ||||
| 1092 | S | 25.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | 80.7 | 140.8 | 142.6 | 67.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1093 | T | 26.7 | Very low | 28.7 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 60.7 | 98.3 | 148.3 | 48.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1094 | S | 25.4 | Very low | 28.5 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 32.2 | 124.1 | 119.9 | 62.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1095 | V | 28.1 | Very low | 28.6 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | 176.4 | 155.2 | 118.5 | 148.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1096 | S | 25.1 | Very low | 28.5 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -58.5 | 145.8 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1097 | T | 29.2 | Very low | 28.5 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | -162.3 | 154 | 114.7 | 10.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1098 | S | 25.7 | Very low | 28.2 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -78.3 | 142.9 | 169.9 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1099 | Q | 29.2 | Very low | 28 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | -165.4 | 147.9 | 129.2 | -108.5 | 161.6 | 26.1 | 0 | 0 | 112.6 | |||||
| 1100 | Q | 24.7 | Very low | 28 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -82.9 | 142.2 | 173.1 | -62.4 | 172 | -35.3 | 0 | 0 | 109.9 | ||||
| 1101 | Y | 27.8 | Very low | 27.8 | Very low | 219 Ų | 219 | 140.5 Ų | 140.5 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -121.1 | 113.1 | 156 | -99 | -89 | 0 | 0 | 0 | 110.9 | ||||
| 1102 | K | 26.9 | Very low | 28 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | -74.5 | 147.5 | 167.5 | -64.5 | 171.9 | 176.3 | 174.9 | 0 | 109.2 | ||||
| 1103 | L | 30.3 | Very low | 28.1 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 93% | 0.927 | 76% | 0.761 | S | S | * | * | trans | -111.5 | 140 | 140.7 | -102.8 | 84.2 | 0 | 0 | 0 | 108.8 | ||||
| 1104 | N | 26.3 | Very low | 28.2 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | -116 | 138.3 | -176.2 | -50.2 | -74.5 | 0 | 0 | 0 | 110.2 | ||||
| 1105 | H | 32.4 | Very low | 28.5 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 88% | 0.884 | 76% | 0.755 | S | S | * | * | trans | -146.9 | 133.3 | 146.2 | -90 | -59.3 | 0 | 0 | 0 | 108.3 | ||||
| 1106 | S | 26.6 | Very low | 28.9 | Very low | 75 Ų | 75 | 141 Ų | 141 | 52% | 0.524 | 75% | 0.748 | S | S | . | * | cis | 148.5 | 132.5 | -27.7 | 59.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1107 | K | 30.2 | Very low | 29.8 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | 75.4 | 156.8 | 179.1 | -52.8 | 175 | 179.8 | 178.3 | 0 | 115.6 | ||||
| 1108 | S | 25.4 | Very low | 30.5 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | cis | -176.5 | 157.9 | -31.1 | -170.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1109 | Y | 29.9 | Very low | 31.5 | Very low | 229 Ų | 229 | 142.3 Ų | 142.3 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | trans | 67.1 | 147 | 178.7 | -64 | -92.8 | 0 | 0 | 0 | 115.7 | ||||
| 1110 | G | 29.6 | Very low | 32.2 | Very low | 56 Ų | 56 | 138.5 Ų | 138.5 | 58% | 0.577 | 72% | 0.719 | S | S | * | * | cis | 157.5 | 130.2 | -11.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1111 | S | 29.6 | Very low | 33.3 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 90% | 0.895 | 71% | 0.711 | S | S | * | * | trans | 64.2 | 160 | -175.9 | 81.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1112 | A | 32.4 | Very low | 34.1 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | cis | -136.7 | 145.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1113 | Q | 29.5 | Very low | 35.4 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -4.8 | 135.2 | 152.5 | -73.4 | 159.9 | -64.7 | 0 | 0 | 121.6 | ||||
| 1114 | Q | 28.9 | Very low | 36.7 | Very low | 164 Ų | 164 | 120.9 Ų | 120.9 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | trans | 79.7 | 152.2 | 133.8 | -64.7 | 167.2 | -38.3 | 0 | 0 | 121.7 | ||||
| 1115 | T | 31.8 | Very low | 38.1 | Very low | 96 Ų | 96 | 118 Ų | 118 | 59% | 0.589 | 66% | 0.655 | S | S | * | * | trans | 88.7 | 32.4 | 151 | -25.5 | 0 | 0 | 0 | 0 | 121.5 | I1118 | T1115-I1118 HydrophobicContact CG2-CD1 3.79Å; T1115-I1118 HydrophobicContact CG2-CG1 4.45Å | ||
| 1116 | I | 36 | Very low | 39.5 | Very low | 132 Ų | 132 | 110.4 Ų | 110.4 | 68% | 0.677 | 63% | 0.628 | S | S | * | * | trans | -124.5 | 46.6 | 160.7 | -45 | -176.9 | 0 | 0 | 0 | 112.6 | I1119 | I1116-I1119 HydrophobicContact CG1-CD1 4.47Å; I1116-I1119 HydrophobicContact CG2-CB 4.12Å; I1116-I1119 HydrophobicContact CG2-CD1 3.98Å; I1116-I1119 HydrophobicContact CG2-CG1 4.09Å | ||
| 1117 | I | 43.6 | Very low | 41.3 | Very low | 149 Ų | 149 | 111.1 Ų | 111.1 | 76% | 0.764 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -103.9 | -14.3 | 156.2 | -73.8 | 174.1 | 0 | 0 | 0 | 110.7 | ||
| 1118 | I | 44.4 | Very low | 42.9 | Very low | 113 Ų | 113 | 106.1 Ų | 106.1 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.3 | -32.2 | -179.2 | -61.7 | -176.3 | 0 | 0 | 0 | 112 | T1115 V1120 M1121 A1122 | T1115-I1118 HydrophobicContact CG2-CD1 3.79Å; T1115-I1118 HydrophobicContact CG2-CG1 4.45Å; I1118-V1120 PolarHBondContact O-N 2.04Å; I1118-M1121 PolarHBondContact O-N 2.87Å; I1118-A1122 VanDerWaalsContact O-CB 3.23Å; I1118-A1122 WeakPolarHBondContact O-CB 3.47Å; I1118-A1122 PolarHBondContact O-N 3.19Å |
| 1119 | I | 45.6 | Very low | 44.8 | Very low | 104 Ų | 104 | 104.9 Ų | 104.9 | 53% | 0.533 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.7 | -31.2 | -172.2 | -56.3 | -170.2 | 0 | 0 | 0 | 112.8 | I1116 S1123 | I1116-I1119 HydrophobicContact CG1-CD1 4.47Å; I1116-I1119 HydrophobicContact CG2-CB 4.12Å; I1116-I1119 HydrophobicContact CG2-CD1 3.98Å; I1116-I1119 HydrophobicContact CG2-CG1 4.09Å; I1119-S1123 PolarHBondContact O-N 3.11Å; I1119-S1123 PolarHBondContact O-OG 2.82Å |
| 1120 | V | 45 | Very low | 46.5 | Very low | 96 Ų | 96 | 98.1 Ų | 98.1 | 58% | 0.582 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -79.5 | -27.8 | 178.7 | -177 | 0 | 0 | 0 | 0 | 112.4 | I1118 S1123 | I1118-V1120 PolarHBondContact O-N 2.04Å; V1120-S1123 PolarHBondContact O-OG 3.28Å |
| 1121 | M | 47 | Very low | 48.2 | Very low | 127 Ų | 127 | 100.5 Ų | 100.5 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -80.6 | -33.1 | 171.2 | -61.8 | -59.5 | -74.2 | 0 | 0 | 111.5 | I1118 S1123 I1124 A1125 | I1118-M1121 PolarHBondContact O-N 2.87Å; M1121-S1123 VanDerWaalsContact C-N 3.32Å; M1121-S1123 PolarHBondContact O-N 3.44Å; M1121-I1124 PolarHBondContact O-N 3.08Å; M1121-A1125 WeakPolarHBondContact O-CB 3.36Å; M1121-A1125 PolarHBondContact O-N 3.27Å |
| 1122 | A | 45.3 | Very low | 49.9 | Very low | 54 Ų | 54 | 99.4 Ų | 99.4 | 45% | 0.446 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.6 | -28.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1118 G1126 | I1118-A1122 VanDerWaalsContact O-CB 3.23Å; I1118-A1122 WeakPolarHBondContact O-CB 3.47Å; I1118-A1122 PolarHBondContact O-N 3.19Å; A1122-G1126 WeakPolarHBondContact O-CA 3.22Å; A1122-G1126 PolarHBondContact O-N 3.07Å |
| 1123 | S | 53.7 | Low | 51.5 | Low | 66 Ų | 66 | 100 Ų | 100 | 46% | 0.462 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.7 | -36.1 | 173.7 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | I1119 V1120 M1121 G1126 V1127 | I1119-S1123 PolarHBondContact O-N 3.11Å; I1119-S1123 PolarHBondContact O-OG 2.82Å; V1120-S1123 PolarHBondContact O-OG 3.28Å; M1121-S1123 VanDerWaalsContact C-N 3.32Å; M1121-S1123 PolarHBondContact O-N 3.44Å; S1123-G1126 PolarHBondContact O-N 3.1Å; S1123-V1127 WeakPolarHBondContact O-CG2 3.34Å; S1123-V1127 PolarHBondContact O-N 2.89Å |
| 1124 | I | 57.6 | Low | 53.1 | Low | 99 Ų | 99 | 95.8 Ų | 95.8 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67 | -45.1 | 172.1 | -63.9 | 171.6 | 0 | 0 | 0 | 110.4 | M1121 G1126 V1127 L1128 | M1121-I1124 PolarHBondContact O-N 3.08Å; I1124-G1126 VanDerWaalsContact C-N 3.28Å; I1124-G1126 PolarHBondContact O-N 2.8Å; I1124-V1127 PolarHBondContact O-N 2.81Å; I1124-L1128 HydrophobicContact CG2-CD1 4.33Å; I1124-L1128 PolarHBondContact O-N 2.91Å |
| 1125 | A | 55.9 | Low | 54.6 | Low | 57 Ų | 57 | 90 Ų | 90 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -34.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1121 C1129 | M1121-A1125 WeakPolarHBondContact O-CB 3.36Å; M1121-A1125 PolarHBondContact O-N 3.27Å; A1125-C1129 WeakPolarHBondContact O-CB 3.27Å; A1125-C1129 PolarHBondContact O-N 2.94Å |
| 1126 | G | 61.7 | Low | 56 | Low | 30 Ų | 30 | 89.4 Ų | 89.4 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1122 S1123 I1124 C1129 V1130 | A1122-G1126 WeakPolarHBondContact O-CA 3.22Å; A1122-G1126 PolarHBondContact O-N 3.07Å; S1123-G1126 PolarHBondContact O-N 3.1Å; I1124-G1126 VanDerWaalsContact C-N 3.28Å; I1124-G1126 PolarHBondContact O-N 2.8Å; G1126-C1129 PolarHBondContact O-N 2.94Å; G1126-V1130 WeakPolarHBondContact O-CB 3.43Å; G1126-V1130 WeakPolarHBondContact O-CG2 3.31Å; G1126-V1130 PolarHBondContact O-N 3.29Å |
| 1127 | V | 63.9 | Low | 57 | Low | 91 Ų | 91 | 88.1 Ų | 88.1 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -40.7 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | S1123 I1124 V1130 L1131 | S1123-V1127 WeakPolarHBondContact O-CG2 3.34Å; S1123-V1127 PolarHBondContact O-N 2.89Å; I1124-V1127 PolarHBondContact O-N 2.81Å; V1127-V1130 PolarHBondContact O-N 2.9Å; V1127-L1131 HydrophobicContact CG1-CD1 3.99Å; V1127-L1131 HydrophobicContact CG1-CG 4.48Å; V1127-L1131 WeakPolarHBondContact O-CB 3.35Å; V1127-L1131 VanDerWaalsContact O-CG 3.31Å; V1127-L1131 WeakPolarHBondContact O-CG 2.98Å; V1127-L1131 PolarHBondContact O-N 2.77Å |
| 1128 | L | 64.2 | Low | 57.4 | Low | 103 Ų | 103 | 87.6 Ų | 87.6 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 172.7 | -89.8 | 159.4 | 0 | 0 | 0 | 112.8 | I1124 L1131 L1132 | I1124-L1128 HydrophobicContact CG2-CD1 4.33Å; I1124-L1128 PolarHBondContact O-N 2.91Å; L1128-L1131 PolarHBondContact O-N 2.83Å; L1128-L1132 WeakPolarHBondContact O-CB 3.47Å; L1128-L1132 PolarHBondContact O-N 3.16Å |
| 1129 | C | 64.7 | Low | 57.7 | Low | 66 Ų | 66 | 85.6 Ų | 85.6 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.9 | -37.1 | 174.9 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | A1125 G1126 L1132 L1133 | A1125-C1129 WeakPolarHBondContact O-CB 3.27Å; A1125-C1129 PolarHBondContact O-N 2.94Å; G1126-C1129 PolarHBondContact O-N 2.94Å; C1129-L1132 PolarHBondContact O-N 2.88Å; C1129-L1133 VanDerWaalsContact O-CB 3.28Å; C1129-L1133 WeakPolarHBondContact O-CB 3.48Å; C1129-L1133 VanDerWaalsContact O-CG 3.28Å; C1129-L1133 WeakPolarHBondContact O-CG 3.49Å; C1129-L1133 PolarHBondContact O-N 2.86Å |
| 1130 | V | 65.7 | Low | 57.5 | Low | 87 Ų | 87 | 87.8 Ų | 87.8 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 172.4 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | G1126 V1127 L1133 V1134 | G1126-V1130 WeakPolarHBondContact O-CB 3.43Å; G1126-V1130 WeakPolarHBondContact O-CG2 3.31Å; G1126-V1130 PolarHBondContact O-N 3.29Å; V1127-V1130 PolarHBondContact O-N 2.9Å; V1130-L1133 PolarHBondContact O-N 3.3Å; V1130-V1134 HydrophobicContact CG1-CG2 4.35Å; V1130-V1134 VanDerWaalsContact O-CB 3.3Å; V1130-V1134 WeakPolarHBondContact O-CB 3.16Å; V1130-V1134 VanDerWaalsContact O-CG2 3.23Å; V1130-V1134 WeakPolarHBondContact O-CG2 3.4Å; V1130-V1134 PolarHBondContact O-N 3.11Å |
| 1131 | L | 65.4 | Low | 57.2 | Low | 106 Ų | 106 | 92.9 Ų | 92.9 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -36.9 | 173.6 | -73.4 | 168.8 | 0 | 0 | 0 | 112.1 | V1127 L1128 A1135 | V1127-L1131 HydrophobicContact CG1-CD1 3.99Å; V1127-L1131 HydrophobicContact CG1-CG 4.48Å; V1127-L1131 WeakPolarHBondContact O-CB 3.35Å; V1127-L1131 VanDerWaalsContact O-CG 3.31Å; V1127-L1131 WeakPolarHBondContact O-CG 2.98Å; V1127-L1131 PolarHBondContact O-N 2.77Å; L1128-L1131 PolarHBondContact O-N 2.83Å; L1131-A1135 WeakPolarHBondContact O-CB 3.35Å; L1131-A1135 PolarHBondContact O-N 2.75Å |
| 1132 | L | 66.5 | Low | 56.5 | Low | 105 Ų | 105 | 88.7 Ų | 88.7 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.1 | -38 | 171.3 | -92.8 | 161.1 | 0 | 0 | 0 | 112.5 | L1128 C1129 A1135 I1136 | L1128-L1132 WeakPolarHBondContact O-CB 3.47Å; L1128-L1132 PolarHBondContact O-N 3.16Å; C1129-L1132 PolarHBondContact O-N 2.88Å; L1132-A1135 PolarHBondContact O-N 2.81Å; L1132-I1136 WeakPolarHBondContact O-CB 3.39Å; L1132-I1136 WeakPolarHBondContact O-CD1 3.31Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.38Å; L1132-I1136 PolarHBondContact O-N 3.18Å |
| 1133 | L | 65.9 | Low | 56.1 | Low | 95 Ų | 95 | 92 Ų | 92 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 174.2 | -77.6 | 168.4 | 0 | 0 | 0 | 111.8 | C1129 V1130 I1136 V1137 | C1129-L1133 VanDerWaalsContact O-CB 3.28Å; C1129-L1133 WeakPolarHBondContact O-CB 3.48Å; C1129-L1133 VanDerWaalsContact O-CG 3.28Å; C1129-L1133 WeakPolarHBondContact O-CG 3.49Å; C1129-L1133 PolarHBondContact O-N 2.86Å; V1130-L1133 PolarHBondContact O-N 3.3Å; L1133-I1136 PolarHBondContact O-N 3.29Å; L1133-V1137 VanDerWaalsContact O-CB 3.25Å; L1133-V1137 WeakPolarHBondContact O-CB 3.24Å; L1133-V1137 WeakPolarHBondContact O-CG2 3.23Å; L1133-V1137 PolarHBondContact O-N 2.93Å |
| 1134 | V | 62.4 | Low | 55.1 | Low | 72 Ų | 72 | 96.1 Ų | 96.1 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 171 | 166.5 | 0 | 0 | 0 | 0 | 110.3 | V1130 V1137 L1138 | V1130-V1134 HydrophobicContact CG1-CG2 4.35Å; V1130-V1134 VanDerWaalsContact O-CB 3.3Å; V1130-V1134 WeakPolarHBondContact O-CB 3.16Å; V1130-V1134 VanDerWaalsContact O-CG2 3.23Å; V1130-V1134 WeakPolarHBondContact O-CG2 3.4Å; V1130-V1134 PolarHBondContact O-N 3.11Å; V1134-V1137 PolarHBondContact O-N 2.82Å; V1134-L1138 HydrophobicContact CG1-CD1 3.78Å; V1134-L1138 HydrophobicContact CG1-CG 4.42Å; V1134-L1138 WeakPolarHBondContact O-CB 3.28Å; V1134-L1138 WeakPolarHBondContact O-CG 3.43Å; V1134-L1138 PolarHBondContact O-N 3.09Å |
| 1135 | A | 60.1 | Low | 53.8 | Low | 43 Ų | 43 | 95 Ų | 95 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1131 L1132 V1137 L1138 T1139 | L1131-A1135 WeakPolarHBondContact O-CB 3.35Å; L1131-A1135 PolarHBondContact O-N 2.75Å; L1132-A1135 PolarHBondContact O-N 2.81Å; A1135-V1137 VanDerWaalsContact C-N 3.32Å; A1135-V1137 PolarHBondContact O-N 2.77Å; A1135-L1138 CarbonylContact O-C 3.47Å; A1135-L1138 PolarHBondContact O-N 2.78Å; A1135-L1138 VanDerWaalsContact O-N 3.15Å; A1135-T1139 WeakPolarHBondContact O-CG2 3.31Å; A1135-T1139 PolarHBondContact O-N 3.44Å; A1135-T1139 PolarHBondContact O-OG1 2.82Å |
| 1136 | I | 61.6 | Low | 52.8 | Low | 82 Ų | 82 | 99.4 Ų | 99.4 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -31.2 | 179.1 | -70.8 | 163.1 | 0 | 0 | 0 | 112.3 | L1132 L1133 T1139 K1140 | L1132-I1136 WeakPolarHBondContact O-CB 3.39Å; L1132-I1136 WeakPolarHBondContact O-CD1 3.31Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.38Å; L1132-I1136 PolarHBondContact O-N 3.18Å; L1133-I1136 PolarHBondContact O-N 3.29Å; I1136-T1139 CarbonylContact O-C 3.4Å; I1136-K1140 WeakPolarHBondContact O-CB 3.3Å; I1136-K1140 PolarHBondContact O-N 2.83Å |
| 1137 | V | 56.8 | Low | 51.6 | Low | 106 Ų | 106 | 103.9 Ų | 103.9 | 64% | 0.642 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -76.7 | -31 | 173.5 | 167 | 0 | 0 | 0 | 0 | 111.6 | L1133 V1134 A1135 | L1133-V1137 VanDerWaalsContact O-CB 3.25Å; L1133-V1137 WeakPolarHBondContact O-CB 3.24Å; L1133-V1137 WeakPolarHBondContact O-CG2 3.23Å; L1133-V1137 PolarHBondContact O-N 2.93Å; V1134-V1137 PolarHBondContact O-N 2.82Å; A1135-V1137 VanDerWaalsContact C-N 3.32Å; A1135-V1137 PolarHBondContact O-N 2.77Å |
| 1138 | L | 53 | Low | 50.1 | Low | 137 Ų | 137 | 103.8 Ų | 103.8 | 72% | 0.717 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -75.8 | -24.9 | 170.5 | -70.4 | 168.2 | 0 | 0 | 0 | 112.5 | V1134 A1135 | V1134-L1138 HydrophobicContact CG1-CD1 3.78Å; V1134-L1138 HydrophobicContact CG1-CG 4.42Å; V1134-L1138 WeakPolarHBondContact O-CB 3.28Å; V1134-L1138 WeakPolarHBondContact O-CG 3.43Å; V1134-L1138 PolarHBondContact O-N 3.09Å; A1135-L1138 CarbonylContact O-C 3.47Å; A1135-L1138 PolarHBondContact O-N 2.78Å; A1135-L1138 VanDerWaalsContact O-N 3.15Å |
| 1139 | T | 50.7 | Low | 48.4 | Very low | 71 Ų | 71 | 103.6 Ų | 103.6 | 44% | 0.436 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.2 | 34.1 | 173.5 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | A1135 I1136 N1153 | A1135-T1139 WeakPolarHBondContact O-CG2 3.31Å; A1135-T1139 PolarHBondContact O-N 3.44Å; A1135-T1139 PolarHBondContact O-OG1 2.82Å; I1136-T1139 CarbonylContact O-C 3.4Å; T1139-N1153 CarbonylContact C-O 3.47Å |
| 1140 | K | 40.7 | Very low | 46.8 | Very low | 150 Ų | 150 | 104.1 Ų | 104.1 | 65% | 0.652 | 58% | 0.576 | S | S | * | * | trans | -144.5 | 68.1 | 166.1 | -78.4 | -156.7 | 170.9 | -171.8 | 0 | 111.9 | I1136 | I1136-K1140 WeakPolarHBondContact O-CB 3.3Å; I1136-K1140 PolarHBondContact O-N 2.83Å | ||
| 1141 | R | 37.5 | Very low | 45.4 | Very low | 204 Ų | 204 | 106.9 Ų | 106.9 | 77% | 0.77 | 59% | 0.586 | S | S | * | * | trans | -144.9 | 26.6 | 169.5 | -123.9 | 172.9 | -174.6 | -171.7 | -0 | 117 | I1151 A1152 | R1141-I1151 WeakPolarHBondContact O-CB 3.32Å; R1141-I1151 WeakPolarHBondContact O-CG2 3.25Å; R1141-A1152 CarbonylContact C-O 3.45Å; R1141-A1152 PolarHBondContact N-O 3.06Å; R1141-A1152 PolarHBondContact O-N 3.44Å | ||
| 1142 | C | 33 | Very low | 44.1 | Very low | 38 Ų | 38 | 104 Ų | 104 | 26% | 0.257 | 58% | 0.578 | S | S | . | * | -111.9 | 162.2 | 124.3 | -126.5 | 0 | 0 | 0 | 0 | 105.2 | S1150 I1151 A1152 | C1142-S1150 VanDerWaalsContact SG-C 3.51Å; C1142-S1150 PolarHBondContact SG-O 3.1Å; C1142-I1151 VanDerWaalsContact CB-O 3.31Å; C1142-I1151 WeakPolarHBondContact CB-O 3.34Å; C1142-I1151 PolarHBondContact SG-O 2.83Å; C1142-A1152 PolarHBondContact N-O 2.88Å | |||
| 1143 | T | 36.5 | Very low | 42.7 | Very low | 123 Ų | 123 | 105.1 Ų | 105.1 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | cis | -137.1 | 112 | 41.4 | 43.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1144 | F | 33.2 | Very low | 41.3 | Very low | 153 Ų | 153 | 103.7 Ų | 103.7 | 67% | 0.671 | 59% | 0.586 | S | S | * | * | trans | -135.6 | 144.9 | 166.8 | -113.3 | -100.4 | 0 | 0 | 0 | 110.2 | ||||
| 1145 | D | 30.7 | Very low | 40 | Very low | 76 Ų | 76 | 108.4 Ų | 108.4 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | trans | 60.4 | 67.4 | 158.9 | -62.6 | -16.1 | 0 | 0 | 0 | 118.5 | V1147 S1148 T1149 | D1145-V1147 WeakPolarHBondContact CB-O 3.04Å; D1145-V1147 CarbonylContact O-C 3.49Å; D1145-S1148 WeakPolarHBondContact CB-O 3.24Å; D1145-S1148 CarbonylContact O-C 3.59Å; D1145-S1148 VanDerWaalsContact O-C 3.29Å; D1145-S1148 WeakPolarHBondContact O-CA 3.12Å; D1145-S1148 PolarHBondContact O-N 3.07Å; D1145-T1149 PolarHBondContact O-N 3.41Å | ||
| 1146 | T | 33.7 | Very low | 38.8 | Very low | 150 Ų | 150 | 111.7 Ų | 111.7 | 92% | 0.92 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | -74.4 | 96.6 | 102.4 | 51.7 | 0 | 0 | 0 | 0 | 107.1 | |||
| 1147 | V | 37 | Very low | 37.5 | Very low | 124 Ų | 124 | 116.7 Ų | 116.7 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -112.3 | 111.4 | 30.8 | -176.2 | 0 | 0 | 0 | 0 | 113 | D1145 | D1145-V1147 WeakPolarHBondContact CB-O 3.04Å; D1145-V1147 CarbonylContact O-C 3.49Å |
| 1148 | S | 32.3 | Very low | 36.4 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.7 | 84.7 | 175.1 | 56.1 | 0 | 0 | 0 | 0 | 120.6 | D1145 | D1145-S1148 WeakPolarHBondContact CB-O 3.24Å; D1145-S1148 CarbonylContact O-C 3.59Å; D1145-S1148 VanDerWaalsContact O-C 3.29Å; D1145-S1148 WeakPolarHBondContact O-CA 3.12Å; D1145-S1148 PolarHBondContact O-N 3.07Å |
| 1149 | T | 28 | Very low | 35.6 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 61% | 0.613 | 63% | 0.629 | S | S | * | * | trans | 124.5 | 120.3 | 136.4 | 65.2 | 0 | 0 | 0 | 0 | 121.1 | D1145 | D1145-T1149 PolarHBondContact O-N 3.41Š| ||
| 1150 | S | 32.6 | Very low | 34.9 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 54% | 0.538 | 65% | 0.645 | S | S | . | * | trans | 108.3 | 110.5 | 135.1 | 74.6 | 0 | 0 | 0 | 0 | 125 | C1142 | C1142-S1150 VanDerWaalsContact SG-C 3.51Å; C1142-S1150 PolarHBondContact SG-O 3.1Å | ||
| 1151 | I | 35.9 | Very low | 34.4 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | trans | 93 | -145.4 | 147 | -56 | 160.3 | 0 | 0 | 0 | 119.4 | R1141 C1142 | R1141-I1151 WeakPolarHBondContact O-CB 3.32Å; R1141-I1151 WeakPolarHBondContact O-CG2 3.25Å; C1142-I1151 VanDerWaalsContact CB-O 3.31Å; C1142-I1151 WeakPolarHBondContact CB-O 3.34Å; C1142-I1151 PolarHBondContact SG-O 2.83Å | ||
| 1152 | A | 37.8 | Very low | 34.4 | Very low | 46 Ų | 46 | 118.4 Ų | 118.4 | 38% | 0.38 | 65% | 0.647 | S | S | . | * | trans | -136.6 | 134.4 | -158.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | R1141 C1142 | R1141-A1152 CarbonylContact C-O 3.45Å; R1141-A1152 PolarHBondContact N-O 3.06Å; R1141-A1152 PolarHBondContact O-N 3.44Å; C1142-A1152 PolarHBondContact N-O 2.88Å | ||
| 1153 | N | 37.1 | Very low | 34.3 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | trans | 57.6 | 146 | 134.7 | -71 | -9 | 0 | 0 | 0 | 130 | T1139 | T1139-N1153 CarbonylContact C-O 3.47Š| ||
| 1154 | A | 36.4 | Very low | 34.1 | Very low | 65 Ų | 65 | 122 Ų | 122 | 54% | 0.537 | 66% | 0.658 | S | S | . | * | trans | 76.8 | 155.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1155 | K | 36.1 | Very low | 33.9 | Very low | 172 Ų | 172 | 121.7 Ų | 121.7 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | cis | -156.8 | -175.5 | -3.4 | -136.5 | 174.1 | 173.6 | -76.9 | 0 | 106.7 | ||||
| 1156 | D | 34.8 | Very low | 34 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 60% | 0.599 | 67% | 0.669 | S | S | * | * | cis | -167.6 | 159.9 | 6.4 | -143.3 | -12.6 | 0 | 0 | 0 | 109.8 | ||||
| 1157 | F | 33 | Very low | 33.7 | Very low | 187 Ų | 187 | 124 Ų | 124 | 82% | 0.82 | 66% | 0.661 | S | S | * | * | trans | 170.6 | 113.8 | 149.6 | -107.6 | -64.6 | 0 | 0 | 0 | 117.7 | ||||
| 1158 | N | 35.1 | Very low | 33.4 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | 155 | 125.6 | 114 | -93.6 | -53.3 | 0 | 0 | 0 | 117.4 | |||||
| 1159 | K | 34.8 | Very low | 33.2 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | trans | 72 | 112.2 | 136.3 | -76.4 | 170 | 154.7 | -78.8 | 0 | 123.8 | ||||
| 1160 | E | 35.9 | Very low | 33.4 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 77% | 0.771 | 68% | 0.684 | S | S | * | * | 107.4 | 140.3 | 117.4 | -79.8 | 163.3 | 179.6 | 0 | 0 | 121 | |||||
| 1161 | E | 31.3 | Very low | 33.3 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | trans | -116.3 | 164.7 | -167.7 | -153 | -160.5 | -118.6 | 0 | 0 | 107.9 | N1163 | E1161-N1163 PolarHBondContact OE2-ND2 2.85Š| ||
| 1162 | P | 37.2 | Very low | 33.3 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | -151.4 | 160.9 | 90.6 | 38.8 | -21.1 | 0 | 0 | 0 | 117 | |||||
| 1163 | N | 30.9 | Very low | 33.1 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 58% | 0.578 | 72% | 0.721 | S | S | * | * | trans | -54.2 | 150.7 | 161.2 | -66.1 | -93.4 | 0 | 0 | 0 | 114.1 | E1161 | E1161-N1163 PolarHBondContact OE2-ND2 2.85Š| ||
| 1164 | N | 31.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | 169.5 | 139 | 98.4 | -98.7 | -38.4 | 0 | 0 | 0 | 117.4 | |||||
| 1165 | Q | 30.5 | Very low | 33.1 | Very low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | trans | 69 | 121.3 | 131.2 | -68.9 | 170.5 | 24.5 | 0 | 0 | 124.4 | ||||
| 1166 | N | 31.7 | Very low | 33.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | 101.6 | 107.4 | 120.4 | -74 | 28.8 | 0 | 0 | 0 | 123.5 | |||||
| 1167 | E | 28.8 | Very low | 33.2 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | 87.6 | 143.7 | 116.4 | -70.5 | -177.9 | 123.8 | 0 | 0 | 123.8 | |||||
| 1168 | S | 30.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 67.1 | 93 | 149.7 | 55.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1169 | A | 27.4 | Very low | 33.2 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | 50.2 | 156.2 | 109.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1170 | V | 33.1 | Very low | 33.1 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 92% | 0.915 | 74% | 0.744 | S | S | * | * | trans | 114.1 | 106 | 165 | -177.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1171 | G | 29.2 | Very low | 33 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -100 | -174.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1172 | M | 36.2 | Very low | 33.4 | Very low | 181 Ų | 181 | 121.6 Ų | 121.6 | 89% | 0.892 | 74% | 0.743 | S | S | * | * | trans | -166.2 | 156.2 | 168.8 | -83.1 | -161.7 | -164.7 | 0 | 0 | 107.6 | ||||
| 1173 | K | 34.6 | Very low | 33.2 | Very low | 188 Ų | 188 | 120.3 Ų | 120.3 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | cis | -160.2 | 156.7 | -31.6 | -144.9 | 172.5 | -176 | 178.2 | 0 | 109.6 | ||||
| 1174 | C | 32.8 | Very low | 33.4 | Very low | 116 Ų | 116 | 124 Ų | 124 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | -36 | 166.9 | 174.3 | -63 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1175 | P | 39.8 | Very low | 33.4 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -154.8 | 167.5 | 37.8 | 43.9 | -22.3 | 0 | 0 | 0 | 123.1 | ||||
| 1176 | S | 36.9 | Very low | 33.5 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 66.4 | 142.8 | 149.2 | 39.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 1177 | S | 36.4 | Very low | 33.5 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | cis | -165.5 | 145.7 | -1.5 | 44.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1178 | T | 34 | Very low | 33.6 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 58.7 | 142.9 | 148.8 | 50.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1179 | S | 32.7 | Very low | 33.8 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -168.6 | 121.2 | -4.9 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1180 | S | 34.1 | Very low | 34 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 51.6 | 104.7 | 131 | 67.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1181 | S | 34.2 | Very low | 33.8 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | 58.3 | 165.2 | 106.6 | 77 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1182 | P | 39.8 | Very low | 34.1 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | cis | -149.2 | 172.6 | -39.6 | 39.8 | -20.7 | 0 | 0 | 0 | 118.4 | ||||
| 1183 | S | 32 | Very low | 33.8 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | trans | 74.6 | 126.8 | 138.7 | 71.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1184 | K | 34.2 | Very low | 33.6 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | 167.9 | 97.5 | 112.9 | -90.7 | 174 | -176.6 | 174.5 | 0 | 112.4 | |||||
| 1185 | T | 32.2 | Very low | 33.6 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | 79.3 | 105.4 | 85.8 | 57.6 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1186 | K | 32.6 | Very low | 33.3 | Very low | 187 Ų | 187 | 129 Ų | 129 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | 157 | 111 | 128 | -86.2 | 174.5 | 179.3 | -176.1 | 0 | 109.9 | |||||
| 1187 | T | 31 | Very low | 33.2 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | 60.8 | 119.7 | 66.1 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1188 | F | 31.5 | Very low | 33 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | -174.6 | 156.3 | 79.2 | -100.3 | -68.8 | 0 | 0 | 0 | 115.5 | |||||
| 1189 | H | 34.7 | Very low | 33 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | 61.4 | 158.8 | 150.5 | -69.2 | -58.9 | 0 | 0 | 0 | 122 | ||||
| 1190 | S | 31.7 | Very low | 33 | Very low | 84 Ų | 84 | 134 Ų | 134 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | -179.5 | 128.9 | -66.1 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1191 | F | 28.8 | Very low | 33 | Very low | 206 Ų | 206 | 136.4 Ų | 136.4 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | trans | 65.3 | 164.1 | 149.8 | -85.6 | -59 | 0 | 0 | 0 | 118.7 | ||||
| 1192 | P | 36.2 | Very low | 33.1 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | -131 | -179.8 | -116.9 | 47 | -33.3 | 0 | 0 | 0 | 117 | |||||
| 1193 | V | 30.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | trans | 30.8 | 131.1 | 143.9 | 176.5 | 0 | 0 | 0 | 0 | 119.5 | I1195 | V1193-I1195 HydrophobicContact CG1-CG1 3.97Š| ||
| 1194 | N | 30.8 | Very low | 32.8 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | trans | -130.3 | 155.9 | 155.9 | -150.3 | -10.7 | 0 | 0 | 0 | 110.5 | ||||
| 1195 | I | 32.7 | Very low | 32.8 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | trans | -122.6 | 148.2 | -162.5 | -61 | 168.6 | 0 | 0 | 0 | 110.5 | V1193 | V1193-I1195 HydrophobicContact CG1-CG1 3.97Š| ||
| 1196 | H | 33.8 | Very low | 32.8 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 67% | 0.667 | 73% | 0.728 | S | S | * | * | 161.8 | 137.3 | 127.6 | -90.4 | -69.3 | 0 | 0 | 0 | 116.1 | |||||
| 1197 | H | 34.1 | Very low | 32.8 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | 146.2 | 114.4 | 129.3 | -76.5 | -68.5 | 0 | 0 | 0 | 109.8 | |||||
| 1198 | I | 31.8 | Very low | 32.7 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 61% | 0.605 | 73% | 0.731 | S | S | * | * | 76.6 | 128.1 | 62.3 | -67.1 | 171 | 0 | 0 | 0 | 110.3 | |||||
| 1199 | H | 33.3 | Very low | 32.7 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | cis | -131.1 | -137.1 | 37.1 | -138.2 | -61.9 | 0 | 0 | 0 | 116.2 | ||||
| 1200 | S | 33.5 | Very low | 32.5 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | trans | -141.5 | 159.3 | -163.6 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1201 | N | 33.8 | Very low | 32.5 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | 163.3 | 163 | 110.7 | -130 | 42.2 | 0 | 0 | 0 | 113 | |||||
| 1202 | P | 37 | Very low | 32.6 | Very low | 92 Ų | 92 | 148.1 Ų | 148.1 | 60% | 0.597 | 74% | 0.74 | S | S | * | * | trans | -115.4 | -172.8 | -172 | 43.2 | -34 | 0 | 0 | 0 | 116.9 | ||||
| 1203 | D | 33.5 | Very low | 32.5 | Very low | 139 Ų | 139 | 152.7 Ų | 152.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 94.7 | 148.1 | 157.1 | -60.3 | -23.9 | 0 | 0 | 0 | 122.4 | ||||
| 1204 | Y | 32.2 | Very low | 32.7 | Very low | 198 Ų | 198 | 151.7 Ų | 151.7 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | 59.4 | 108.6 | 163.8 | -82.4 | -75.2 | 0 | 0 | 0 | 118.9 | ||||
| 1205 | Y | 34.3 | Very low | 32.8 | Very low | 214 Ų | 214 | 151.2 Ų | 151.2 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | -169.8 | 162 | 63.6 | -108.4 | -81.6 | 0 | 0 | 0 | 112 | |||||
| 1206 | A | 31.1 | Very low | 32.8 | Very low | 92 Ų | 92 | 148.9 Ų | 148.9 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -115 | 154.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1207 | K | 32.2 | Very low | 32.5 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -156.9 | 147.4 | 150.5 | -128.5 | 175.2 | -175.7 | -177.6 | 0 | 115.3 | ||||
| 1208 | E | 29.7 | Very low | 32.4 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | -72.9 | 160.1 | -173.6 | -44.5 | 113 | 123.7 | 0 | 0 | 113.6 | ||||
| 1209 | M | 31.9 | Very low | 32.4 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | -160.9 | 147.9 | 104.5 | -108.6 | 169.1 | -76.3 | 0 | 0 | 113.2 | |||||
| 1210 | I | 30.2 | Very low | 32.3 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -106.2 | 144.1 | -175.7 | -63.5 | 161.4 | 0 | 0 | 0 | 108.7 | ||||
| 1211 | Y | 32.7 | Very low | 32.3 | Very low | 233 Ų | 233 | 146.7 Ų | 146.7 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | trans | -136.6 | 138.5 | 148.3 | -103.4 | -81.8 | 0 | 0 | 0 | 111.1 | ||||
| 1212 | H | 30.9 | Very low | 32.4 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -92.1 | 153.7 | -175.7 | -64.9 | -106.5 | 0 | 0 | 0 | 112 | ||||
| 1213 | H | 33.3 | Very low | 32.4 | Very low | 199 Ų | 199 | 146 Ų | 146 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | -158.1 | 122.6 | 125.9 | -90.1 | -40.2 | 0 | 0 | 0 | 111.4 | |||||
| 1214 | P | 34.6 | Very low | 32.4 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | trans | -120.2 | -177.7 | 175.2 | 37.9 | -24.7 | 0 | 0 | 0 | 114.1 | ||||
| 1215 | V | 32.5 | Very low | 32.4 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | 83.2 | 130.4 | 167.2 | -171.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1216 | G | 32.2 | Very low | 32.4 | Very low | 74 Ų | 74 | 145.4 Ų | 145.4 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 159.6 | 60.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1217 | L | 27.7 | Very low | 32.3 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -84.6 | 142 | 162.3 | -75.9 | 88.4 | 0 | 0 | 0 | 110.3 | ||||
| 1218 | A | 31.8 | Very low | 32.4 | Very low | 84 Ų | 84 | 143.4 Ų | 143.4 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | 160.5 | 144.7 | 123.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1219 | S | 32.3 | Very low | 32.6 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 56.5 | 147.3 | 148.8 | 54.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1220 | S | 32.3 | Very low | 32.6 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | -172.2 | 159.9 | -14.5 | 49.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1221 | E | 33.1 | Very low | 32.7 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 25.8 | 136.3 | 134.9 | -61.1 | 173.5 | 178.4 | 0 | 0 | 119.2 | ||||
| 1222 | T | 34.8 | Very low | 33 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | cis | -168.2 | 178.5 | 18.4 | 15.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1223 | P | 38.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 142 Ų | 142 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | -105.2 | -176.7 | -152.5 | 42.5 | -39.7 | 0 | 0 | 0 | 116 | ||||
| 1224 | Y | 33.5 | Very low | 33.7 | Very low | 233 Ų | 233 | 137.6 Ų | 137.6 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -137.4 | 131.5 | 149.6 | -96.1 | -81.8 | 0 | 0 | 0 | 111 | ||||
| 1225 | D | 30.8 | Very low | 34 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -71.2 | 158.9 | 169.9 | -62.3 | -74.4 | 0 | 0 | 0 | 112.3 | ||||
| 1226 | I | 34.3 | Very low | 34 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | -175.5 | 129.9 | 116.4 | -92.3 | 153.5 | 0 | 0 | 0 | 109.5 | |||||
| 1227 | S | 30.1 | Very low | 34.1 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -96.6 | 143.6 | 172.5 | -47.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1228 | L | 33.2 | Very low | 34.4 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | 179.3 | 141.5 | 128.4 | -117.8 | 67.3 | 0 | 0 | 0 | 114.6 | |||||
| 1229 | E | 34.4 | Very low | 34.5 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 42.7 | 109.1 | 137.5 | -71.7 | 174.9 | 172.2 | 0 | 0 | 123.3 | ||||
| 1230 | T | 32 | Very low | 34.7 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | 37.9 | 120.1 | 127.6 | 61.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1231 | M | 33.1 | Very low | 35 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 96% | 0.961 | 79% | 0.79 | S | S | * | * | trans | -142 | 151.1 | 142.4 | -78.7 | -154.7 | 174 | 0 | 0 | 112.5 | ||||
| 1232 | K | 37.9 | Very low | 35.2 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -95.7 | 157.4 | 170.3 | -101.8 | -177.8 | 174.9 | 176 | 0 | 110.7 | ||||
| 1233 | P | 39.9 | Very low | 35.4 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -77.9 | 160.6 | -175.1 | 35.6 | -38.3 | 0 | 0 | 0 | 112.3 | ||||
| 1234 | P | 39.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | -143.5 | 168.5 | 94.6 | 40.6 | -28.2 | 0 | 0 | 0 | 114.4 | |||||
| 1235 | N | 40.4 | Very low | 35.9 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | -177.4 | 142.5 | 125.1 | -92.6 | -28.6 | 0 | 0 | 0 | 112.7 | |||||
| 1236 | T | 33.5 | Very low | 36.1 | Very low | 128 Ų | 128 | 146 Ų | 146 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -100.4 | 150.2 | 176 | 46.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1237 | V | 34.2 | Very low | 36.3 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | -127.4 | 127.6 | 164 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1238 | T | 32.6 | Very low | 36.6 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | -127.2 | 138.9 | 177 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1239 | F | 35.2 | Very low | 36.8 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 91% | 0.912 | 78% | 0.776 | S | S | * | * | trans | -100.2 | 149.5 | 165.9 | -88.1 | -88.5 | 0 | 0 | 0 | 111.2 | ||||
| 1240 | L | 37.1 | Very low | 36.8 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -114.4 | 141.7 | -167.3 | -85.5 | 157.2 | 0 | 0 | 0 | 112.6 | ||||
| 1241 | N | 37.6 | Very low | 36.9 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | 172.3 | 112.3 | 127.8 | -87.3 | -40.2 | 0 | 0 | 0 | 108.5 | |||||
| 1242 | N | 38 | Very low | 37 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 56% | 0.556 | 78% | 0.778 | S | S | * | * | 68 | 123.1 | 90.1 | -66.8 | -32.6 | 0 | 0 | 0 | 112.6 | |||||
| 1243 | Y | 38.6 | Very low | 36.8 | Very low | 218 Ų | 218 | 143.6 Ų | 143.6 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | cis | -131.7 | -176.8 | 30.8 | -93.9 | -91 | 0 | 0 | 0 | 115.4 | ||||
| 1244 | T | 40.8 | Very low | 36.7 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | trans | -128.7 | -159.3 | -154.8 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1245 | P | 41.1 | Very low | 36.6 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 62% | 0.617 | 77% | 0.765 | S | S | * | * | -132.6 | -144.7 | -105.9 | 43.5 | -22.4 | 0 | 0 | 0 | 115.1 | |||||
| 1246 | F | 35.5 | Very low | 36.4 | Very low | 188 Ų | 188 | 143 Ų | 143 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 82.9 | 146.2 | 176.7 | -60.6 | -79.1 | 0 | 0 | 0 | 117.2 | ||||
| 1247 | V | 38 | Very low | 36.6 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | cis | -160.9 | 154 | -32.5 | 112.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1248 | P | 36.8 | Very low | 36.5 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | -97.5 | 159.3 | -163.9 | 37.5 | -35.8 | 0 | 0 | 0 | 115.8 | ||||
| 1249 | L | 36.7 | Very low | 36.6 | Very low | 167 Ų | 167 | 149 Ų | 149 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -163.4 | 162.2 | 152.5 | -112.1 | 165.8 | 0 | 0 | 0 | 112.6 | ||||
| 1250 | N | 34.1 | Very low | 36.5 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -77.8 | 156.9 | -174 | -58 | -75.5 | 0 | 0 | 0 | 113.9 | ||||
| 1251 | L | 35.3 | Very low | 36.4 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 94% | 0.937 | 75% | 0.753 | S | S | * | * | -174.2 | 177.2 | 118.4 | -100.3 | 163.3 | 0 | 0 | 0 | 113.8 | |||||
| 1252 | R | 34.9 | Very low | 36 | Very low | 225 Ų | 225 | 143.3 Ų | 143.3 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | trans | -103.1 | 148.5 | -164.6 | -82.1 | -179.5 | 167 | 172.8 | -4.8 | 115.2 | ||||
| 1253 | S | 34.1 | Very low | 35.8 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | 74.8 | 140.6 | 133 | 66.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1254 | N | 36.9 | Very low | 35.7 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 90.1 | 108.5 | 142 | -71.6 | 4.6 | 0 | 0 | 0 | 122.2 | ||||
| 1255 | N | 37.4 | Very low | 35.3 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | 91 | 123.4 | 119 | -70 | -2.7 | 0 | 0 | 0 | 122.4 | |||||
| 1256 | T | 36 | Very low | 35.1 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 68.9 | 155 | 138.1 | 60.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1257 | Q | 38 | Very low | 35.2 | Very low | 162 Ų | 162 | 143 Ų | 143 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | cis | -169.7 | 176.4 | -15.2 | -106.7 | -178.3 | 17.8 | 0 | 0 | 107 | ||||
| 1258 | L | 31.1 | Very low | 34.8 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | cis | -160.8 | 172.5 | 1.7 | -132.5 | -177 | 0 | 0 | 0 | 109.4 | ||||
| 1259 | R | 34.7 | Very low | 34.5 | Very low | 219 Ų | 219 | 149.7 Ų | 149.7 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 72.4 | 133.4 | 163.1 | -63.3 | 163.6 | -176.6 | -172.2 | -0.6 | 116.9 | ||||
| 1260 | A | 33.7 | Very low | 34.1 | Very low | 91 Ų | 91 | 153.4 Ų | 153.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | cis | 106.4 | 112.8 | 5.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1261 | I | 34.7 | Very low | 34.1 | Very low | 170 Ų | 170 | 154.9 Ų | 154.9 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -166.4 | 132.9 | 153.9 | -84.3 | 135.4 | 0 | 0 | 0 | 104.4 | ||||
| 1262 | S | 30.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 154.7 Ų | 154.7 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | cis | 101.9 | 89.4 | 2.1 | -158.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1263 | M | 33.5 | Very low | 33.5 | Very low | 164 Ų | 164 | 150 Ų | 150 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | 178.9 | 132.4 | 129 | -100.3 | -173 | 175.1 | 0 | 0 | 115.7 | |||||
| 1264 | N | 36.6 | Very low | 33.4 | Very low | 139 Ų | 139 | 154.2 Ų | 154.2 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 62.3 | 131.4 | 139.4 | -58.5 | -6.6 | 0 | 0 | 0 | 125.3 | ||||
| 1265 | S | 30.7 | Very low | 33.2 | Very low | 104 Ų | 104 | 154.8 Ų | 154.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 74.2 | 136.9 | 149.6 | -142.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1266 | P | 37.9 | Very low | 33.1 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | -137.1 | 164.3 | 82.5 | 39.4 | -27.5 | 0 | 0 | 0 | 115.9 | |||||
| 1267 | Q | 37.7 | Very low | 33 | Very low | 176 Ų | 176 | 156.1 Ų | 156.1 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -91.8 | 157.9 | 171 | -72.6 | 179.2 | -36.3 | 0 | 0 | 113.1 | ||||
| 1268 | T | 28.4 | Very low | 32.9 | Very low | 129 Ų | 129 | 156 Ų | 156 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -22.5 | 134.9 | 165.3 | 55.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1269 | R | 32.2 | Very low | 33.3 | Very low | 247 Ų | 247 | 156.1 Ų | 156.1 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -161.2 | 157 | 133.6 | -111.4 | 165.8 | -164.6 | -149.9 | 2.1 | 112.7 | ||||
| 1270 | R | 27.8 | Very low | 33.3 | Very low | 246 Ų | 246 | 153.2 Ų | 153.2 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | trans | -56 | 138.1 | 179.3 | -64.4 | 171.5 | 174.2 | 159.4 | -4.7 | 111.6 | ||||
| 1271 | I | 33.1 | Very low | 33.5 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -124.4 | 144 | 153.4 | -64.8 | -178 | 0 | 0 | 0 | 107.4 | ||||
| 1272 | Q | 31.3 | Very low | 33.6 | Very low | 176 Ų | 176 | 158.9 Ų | 158.9 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -109.1 | 142 | -165.2 | -165.6 | 169.5 | -55 | 0 | 0 | 109.9 | Q1274 | Q1272-Q1274 PolarHBondContact O-N 3.29Š| ||
| 1273 | C | 27.6 | Very low | 33.8 | Very low | 127 Ų | 127 | 162 Ų | 162 | 86% | 0.858 | 81% | 0.812 | S | S | * | * | trans | -67.3 | 118.9 | -173.3 | -54 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1274 | Q | 32.6 | Very low | 34 | Very low | 184 Ų | 184 | 161.6 Ų | 161.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -157.8 | 148 | 155.7 | -116.6 | 160.7 | -17.4 | 0 | 0 | 111.2 | Q1272 | Q1272-Q1274 PolarHBondContact O-N 3.29Š| ||
| 1275 | I | 32.4 | Very low | 33.7 | Very low | 143 Ų | 143 | 162 Ų | 162 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -111 | 143.8 | -163.7 | -64.5 | 163.7 | 0 | 0 | 0 | 110.5 | I1277 | I1275-I1277 HydrophobicContact CG2-CD1 3.84Å; I1275-I1277 HydrophobicContact CG2-CG1 3.64Å | ||
| 1276 | P | 34.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 164.5 Ų | 164.5 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -115.4 | 140.6 | 148.4 | 35 | -25.1 | 0 | 0 | 0 | 112 | ||||
| 1277 | I | 34.4 | Very low | 33.6 | Very low | 146 Ų | 146 | 163 Ų | 163 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -129.1 | 172.4 | 172.1 | -64 | 165.3 | 0 | 0 | 0 | 107 | I1275 | I1275-I1277 HydrophobicContact CG2-CD1 3.84Å; I1275-I1277 HydrophobicContact CG2-CG1 3.64Å | ||
| 1278 | E | 36.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 162.8 Ų | 162.8 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 89.8 | 140.1 | 171 | -60.6 | -167 | -160.3 | 0 | 0 | 115.9 | ||||
| 1279 | N | 38.1 | Very low | 33.2 | Very low | 125 Ų | 125 | 165.9 Ų | 165.9 | 67% | 0.668 | 81% | 0.806 | S | S | * | * | cis | -154 | 149.7 | -0.2 | -115.8 | -20.9 | 0 | 0 | 0 | 112.6 | ||||
| 1280 | D | 35.2 | Very low | 33.1 | Very low | 158 Ų | 158 | 161.7 Ų | 161.7 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 179.4 | 95.4 | 138.9 | -104.9 | -17.1 | 0 | 0 | 0 | 111.6 | ||||
| 1281 | L | 37.6 | Very low | 33.1 | Very low | 155 Ų | 155 | 157.2 Ų | 157.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 176.6 | 120.9 | 135.3 | -116.8 | 101.9 | 0 | 0 | 0 | 113.3 | ||
| 1282 | Y | 36.4 | Very low | 33.1 | Very low | 226 Ų | 226 | 154.1 Ų | 154.1 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | trans | 59.7 | 155.4 | 154.5 | -85.1 | -100.1 | 0 | 0 | 0 | 122.4 | ||||
| 1283 | Q | 36.8 | Very low | 32.8 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -116.8 | 177.4 | -167.1 | -62.5 | -166.7 | -2.8 | 0 | 0 | 111 | ||||
| 1284 | E | 35.8 | Very low | 32.9 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | cis | -151.8 | 149.1 | 22.6 | -162.1 | 174.9 | -178.3 | 0 | 0 | 116.1 | ||||
| 1285 | Q | 31.7 | Very low | 32.7 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | -59.1 | 157.2 | -179 | -51.2 | 168.9 | -13.6 | 0 | 0 | 115.2 | ||||
| 1286 | K | 34.1 | Very low | 32.6 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | -176.7 | 153.8 | 74.6 | -116.4 | 133.3 | -170.4 | 159 | 0 | 116.5 | |||||
| 1287 | S | 32.5 | Very low | 32.2 | Very low | 99 Ų | 99 | 151.6 Ų | 151.6 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 53.5 | 103.1 | 147.6 | 62.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1288 | L | 26.2 | Very low | 32 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | 41.2 | 107.6 | 115.3 | -72 | 151.9 | 0 | 0 | 0 | 119.9 | |||||
| 1289 | Q | 30.4 | Very low | 31.5 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | -155.7 | 176.9 | 127.9 | -118 | -177.5 | 29.1 | 0 | 0 | 112.6 | |||||
| 1290 | L | 30.4 | Very low | 31.4 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -88.1 | 167.1 | -167.4 | -72.5 | 71.6 | 0 | 0 | 0 | 113.3 | ||||
| 1291 | N | 28.6 | Very low | 31.1 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -6.3 | 145.3 | 154.1 | -69.9 | -11.2 | 0 | 0 | 0 | 118.4 | ||||
| 1292 | P | 32.7 | Very low | 30.9 | Very low | 106 Ų | 106 | 146 Ų | 146 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | cis | -141.3 | 157.8 | 33.7 | 40.9 | -23.3 | 0 | 0 | 0 | 118.3 | ||||
| 1293 | L | 25.9 | Very low | 30.6 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | 26.2 | 98.7 | 136.8 | -63.3 | 159.2 | 0 | 0 | 0 | 117.9 | V1295 | L1293-V1295 HydrophobicContact CB-CG2 4.02Å; L1293-V1295 HydrophobicContact CD2-CG2 3.86Å; L1293-V1295 HydrophobicContact CG-CG2 4.4Å; L1293-V1295 PolarHBondContact O-N 2.79Å | ||
| 1294 | H | 29.2 | Very low | 30.4 | Very low | 200 Ų | 200 | 140 Ų | 140 | 93% | 0.926 | 73% | 0.734 | S | S | * | * | trans | -78.7 | 68.3 | 147.4 | -106.7 | 71.8 | 0 | 0 | 0 | 110 | ||||
| 1295 | V | 28.6 | Very low | 30.1 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 49% | 0.485 | 73% | 0.734 | S | S | . | * | trans | -67.2 | 151.2 | 159.6 | 164.1 | 0 | 0 | 0 | 0 | 107.9 | L1293 I1297 | L1293-V1295 HydrophobicContact CB-CG2 4.02Å; L1293-V1295 HydrophobicContact CD2-CG2 3.86Å; L1293-V1295 HydrophobicContact CG-CG2 4.4Å; L1293-V1295 PolarHBondContact O-N 2.79Å; V1295-I1297 HydrophobicContact CB-CD1 4.35Å; V1295-I1297 HydrophobicContact CB-CG1 3.77Å; V1295-I1297 HydrophobicContact CG1-CG1 3.65Å; V1295-I1297 PolarHBondContact O-N 3.48Å | ||
| 1296 | I | 28.8 | Very low | 30.3 | Very low | 158 Ų | 158 | 141 Ų | 141 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | -69 | 75.8 | 166.2 | -58.4 | 171.1 | 0 | 0 | 0 | 107.8 | L1298 | I1296-L1298 PolarHBondContact O-N 2.87Š| ||
| 1297 | I | 27.3 | Very low | 30.3 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | trans | -80.7 | 91.5 | 178.9 | -59 | -177.4 | 0 | 0 | 0 | 107.7 | V1295 G1299 | V1295-I1297 HydrophobicContact CB-CD1 4.35Å; V1295-I1297 HydrophobicContact CB-CG1 3.77Å; V1295-I1297 HydrophobicContact CG1-CG1 3.65Å; V1295-I1297 PolarHBondContact O-N 3.48Å; I1297-G1299 PolarHBondContact O-N 3.26Å | ||
| 1298 | L | 30.3 | Very low | 30.5 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -58.5 | 89.1 | 152.5 | -69.8 | 164.4 | 0 | 0 | 0 | 107.8 | I1296 | I1296-L1298 PolarHBondContact O-N 2.87Š| ||
| 1299 | G | 25.9 | Very low | 30.8 | Very low | 54 Ų | 54 | 144.4 Ų | 144.4 | 56% | 0.557 | 74% | 0.74 | S | S | * | * | trans | -98.4 | 151.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1297 | I1297-G1299 PolarHBondContact O-N 3.26Š| ||
| 1300 | P | 34.7 | Very low | 31.1 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | -126.1 | 175.6 | -137.9 | 38.9 | -24.2 | 0 | 0 | 0 | 116.4 | ||||
| 1301 | N | 29.4 | Very low | 31.3 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | trans | 77.8 | 97.3 | 163.4 | -53.7 | -36 | 0 | 0 | 0 | 117.8 | ||||
| 1302 | H | 33.2 | Very low | 31.2 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | -158.7 | 107.3 | 98.9 | -103 | -89.1 | 0 | 0 | 0 | 107.5 | |||||
| 1303 | I | 29.8 | Very low | 31.2 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | 60.6 | 104.1 | 84.7 | -62.1 | 164.8 | 0 | 0 | 0 | 109.5 | |||||
| 1304 | H | 33 | Very low | 31.5 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | -156.3 | 144.7 | 56.9 | -129.2 | -79.3 | 0 | 0 | 0 | 114.5 | |||||
| 1305 | Q | 30.3 | Very low | 31.6 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 3.8 | 141.3 | 153.5 | -54.2 | 166.1 | -4.9 | 0 | 0 | 119.8 | ||||
| 1306 | Q | 35.4 | Very low | 31.8 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | -154.2 | 127.1 | 51.5 | -70.6 | -173.7 | 16.7 | 0 | 0 | 116.9 | |||||
| 1307 | K | 34.7 | Very low | 32 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | trans | 56.6 | 132.2 | 133.2 | -81 | -177.7 | 172.6 | 177.8 | 0 | 125 | ||||
| 1308 | I | 35.5 | Very low | 32.3 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 84.5 | 110.1 | 140.8 | -71.7 | 166.1 | 0 | 0 | 0 | 115.8 | ||||
| 1309 | K | 33 | Very low | 32.4 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | 68.5 | 139.7 | 67.9 | -78.2 | -159.6 | 169.1 | -170.2 | 0 | 112.1 | |||||
| 1310 | L | 35.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | cis | -153.9 | 177.7 | 2.8 | -150.6 | 48.1 | 0 | 0 | 0 | 106.1 | ||||
| 1311 | I | 35.4 | Very low | 32.7 | Very low | 139 Ų | 139 | 159 Ų | 159 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | cis | -150.7 | 159.6 | 17.4 | -36.7 | 159.2 | 0 | 0 | 0 | 107.9 | ||||
| 1312 | C | 26.3 | Very low | 33 | Very low | 133 Ų | 133 | 161.8 Ų | 161.8 | 90% | 0.899 | 78% | 0.782 | S | S | * | * | trans | -78.5 | 112.5 | 154.9 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1313 | K | 33.9 | Very low | 33 | Very low | 267 Ų | 267 | 160.7 Ų | 160.7 | 100% | 1.161 | 78% | 0.781 | S | S | * | * | trans | -158 | 0 | 160.3 | -161.8 | -177.4 | -179.3 | -173.3 | 0 | 109.7 |
Retrieved 1,313 of 1,313 residues in 1920.6 ms
(Link to these results)