| 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 | 59.2 | Low | 81.1 | Confident | 201 Ų | 201 | 122.2 Ų | 122.2 | 99% | 0.99 | 62% | 0.621 | S | S | * | * | 0 | -40.5 | 0 | -86.8 | 171.3 | 126.6 | 0 | 0 | 114.1 | R3 N4 H5 | M1-R3 PolarHBondContact O-N 3.42Å; M1-N4 PolarHBondContact O-N 3.2Å; M1-H5 PolarHBondContact O-CD2 3.25Å | |||
| 2 | I | 68.1 | Low | 82.2 | Confident | 151 Ų | 151 | 121.2 Ų | 121.2 | 77% | 0.774 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -56.6 | -38.3 | -174.4 | -66.6 | 157.7 | 0 | 0 | 0 | 114.6 | N4 H5 S6 | I2-N4 VanDerWaalsContact C-N 3.29Å; I2-N4 PolarHBondContact O-N 3.34Å; I2-H5 PolarHBondContact O-N 3.19Å; I2-S6 PolarHBondContact O-N 3.31Å |
| 3 | R | 74.6 | Confident | 83.1 | Confident | 213 Ų | 213 | 120.2 Ų | 120.2 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.9 | -32 | -179.3 | -171.8 | 170.2 | 163.3 | -174.7 | -5.7 | 113.5 | M1 T7 | M1-R3 PolarHBondContact O-N 3.42Å; R3-T7 PolarHBondContact O-N 3.3Å |
| 4 | N | 75.9 | Confident | 83.9 | Confident | 114 Ų | 114 | 119.9 Ų | 119.9 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.2 | -29.9 | 178.6 | -68.3 | 6.4 | 0 | 0 | 0 | 111.9 | M1 I2 T7 V8 | M1-N4 PolarHBondContact O-N 3.2Å; I2-N4 VanDerWaalsContact C-N 3.29Å; I2-N4 PolarHBondContact O-N 3.34Å; N4-T7 PolarHBondContact O-OG1 2.92Å; N4-V8 VanDerWaalsContact O-CG2 3.27Å; N4-V8 WeakPolarHBondContact O-CG2 3.27Å; N4-V8 PolarHBondContact O-N 3.47Å |
| 5 | H | 79.7 | Confident | 84.7 | Confident | 118 Ų | 118 | 117.2 Ų | 117.2 | 55% | 0.546 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.4 | -39.1 | 176.1 | -70.6 | -73 | 0 | 0 | 0 | 111.9 | M1 I2 T7 V8 I9 | M1-H5 PolarHBondContact O-CD2 3.25Å; I2-H5 PolarHBondContact O-N 3.19Å; H5-T7 PolarHBondContact O-N 3.26Å; H5-V8 PolarHBondContact O-N 3.12Å; H5-I9 VanDerWaalsContact O-CG1 3.31Å; H5-I9 WeakPolarHBondContact O-CG1 3.31Å; H5-I9 PolarHBondContact O-N 3.45Å |
| 6 | S | 82.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 114.1 Ų | 114.1 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61 | -43.5 | 178 | 178.5 | 0 | 0 | 0 | 0 | 112 | I2 V8 I9 I10 | I2-S6 PolarHBondContact O-N 3.31Å; S6-V8 VanDerWaalsContact C-N 3.35Å; S6-V8 PolarHBondContact O-N 3.45Å; S6-I9 PolarHBondContact O-N 3.38Å; S6-I10 VanDerWaalsContact O-CG1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.31Å; S6-I10 PolarHBondContact O-N 3Å; S6-I10 VanDerWaalsContact O-N 3.12Å |
| 7 | T | 85.7 | Confident | 85.8 | Confident | 80 Ų | 80 | 114.1 Ų | 114.1 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.7 | -36.7 | 177.7 | 51 | 0 | 0 | 0 | 0 | 112.6 | R3 N4 H5 L11 | R3-T7 PolarHBondContact O-N 3.3Å; N4-T7 PolarHBondContact O-OG1 2.92Å; H5-T7 PolarHBondContact O-N 3.26Å; T7-L11 WeakPolarHBondContact O-CB 3.43Å; T7-L11 PolarHBondContact O-N 3.3Å; T7-L11 VanDerWaalsContact O-N 3.1Å |
| 8 | V | 90.4 | Very high | 86.2 | Confident | 91 Ų | 91 | 116.4 Ų | 116.4 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -42.5 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | N4 H5 S6 L11 L12 | N4-V8 VanDerWaalsContact O-CG2 3.27Å; N4-V8 WeakPolarHBondContact O-CG2 3.27Å; N4-V8 PolarHBondContact O-N 3.47Å; H5-V8 PolarHBondContact O-N 3.12Å; S6-V8 VanDerWaalsContact C-N 3.35Å; S6-V8 PolarHBondContact O-N 3.45Å; V8-L11 PolarHBondContact O-N 3.45Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 PolarHBondContact O-N 3.03Å |
| 9 | I | 91.1 | Very high | 86.6 | Confident | 101 Ų | 101 | 118.4 Ų | 118.4 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.1 | -44.4 | 178.4 | -66.9 | 164.5 | 0 | 0 | 0 | 110.9 | H5 S6 L11 L12 L13 | H5-I9 VanDerWaalsContact O-CG1 3.31Å; H5-I9 WeakPolarHBondContact O-CG1 3.31Å; H5-I9 PolarHBondContact O-N 3.45Å; S6-I9 PolarHBondContact O-N 3.38Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.1Å; I9-L12 PolarHBondContact O-N 3.32Å; I9-L13 HydrophobicContact CG2-CD1 4.33Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.01Å |
| 10 | I | 92.3 | Very high | 86.6 | Confident | 93 Ų | 93 | 116.9 Ų | 116.9 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.1 | -42.8 | 178.1 | -67.1 | 165.1 | 0 | 0 | 0 | 110.7 | S6 L12 L13 L14 | S6-I10 VanDerWaalsContact O-CG1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.31Å; S6-I10 PolarHBondContact O-N 3Å; S6-I10 VanDerWaalsContact O-N 3.12Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.26Å; I10-L13 PolarHBondContact O-N 3.43Å; I10-L14 HydrophobicContact CG2-CD1 4.39Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.03Å |
| 11 | L | 92.6 | Very high | 86.5 | Confident | 117 Ų | 117 | 114.2 Ų | 114.2 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.3 | -37.7 | 179.8 | -149.5 | 146 | 0 | 0 | 0 | 111.4 | T7 V8 I9 L14 V15 | T7-L11 WeakPolarHBondContact O-CB 3.43Å; T7-L11 PolarHBondContact O-N 3.3Å; T7-L11 VanDerWaalsContact O-N 3.1Å; V8-L11 PolarHBondContact O-N 3.45Å; I9-L11 VanDerWaalsContact C-N 3.31Å; I9-L11 PolarHBondContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 3.14Å; L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.49Å; L11-V15 VanDerWaalsContact O-N 3.14Å |
| 12 | L | 93.9 | Very high | 87.7 | Confident | 110 Ų | 110 | 107.4 Ų | 107.4 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 175.9 | -144.3 | 157.6 | 0 | 0 | 0 | 111.6 | V8 I9 I10 L14 V15 V16 | V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 PolarHBondContact O-N 3.03Å; I9-L12 PolarHBondContact O-N 3.32Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.26Å; L12-L14 PolarHBondContact O-N 3.46Å; L12-V15 PolarHBondContact O-N 3.39Å; L12-V16 HydrophobicContact CD2-CG2 4.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.3Å |
| 13 | L | 94.2 | Very high | 88.3 | Confident | 109 Ų | 109 | 104.7 Ų | 104.7 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 175.2 | -70.2 | 174.6 | 0 | 0 | 0 | 112.3 | I9 I10 V15 V16 M17 | I9-L13 HydrophobicContact CG2-CD1 4.33Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.01Å; I10-L13 PolarHBondContact O-N 3.43Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.05Å; L13-V16 PolarHBondContact O-N 2.93Å; L13-M17 WeakPolarHBondContact O-CG 3.34Å; L13-M17 PolarHBondContact O-N 3.2Å |
| 14 | L | 94.7 | Very high | 88.4 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -40.1 | 176.2 | -72.1 | 174.4 | 0 | 0 | 0 | 112.1 | I10 L11 L12 M17 Y18 | I10-L14 HydrophobicContact CG2-CD1 4.39Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.03Å; L11-L14 PolarHBondContact O-N 3.14Å; L12-L14 PolarHBondContact O-N 3.46Å; L14-M17 PolarHBondContact O-N 3.43Å; L14-Y18 WeakPolarHBondContact O-CB 3.33Å; L14-Y18 PolarHBondContact O-N 3.39Å |
| 15 | V | 95.5 | Very high | 88.2 | Confident | 80 Ų | 80 | 98.5 Ų | 98.5 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L11 L12 L13 Y18 Y19 | L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.49Å; L11-V15 VanDerWaalsContact O-N 3.14Å; L12-V15 PolarHBondContact O-N 3.39Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.05Å; V15-Y18 PolarHBondContact O-N 2.97Å; V15-Y19 PolarHBondContact O-N 3.48Å |
| 16 | V | 95.3 | Very high | 87.4 | Confident | 68 Ų | 68 | 98.9 Ų | 98.9 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 111 | L12 L13 Y18 Y19 I20 | L12-V16 HydrophobicContact CD2-CG2 4.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.3Å; L13-V16 PolarHBondContact O-N 2.93Å; V16-Y18 VanDerWaalsContact C-N 3.33Å; V16-Y18 PolarHBondContact O-N 3.44Å; V16-Y19 PolarHBondContact O-N 3.29Å; V16-I20 HydrophobicContact CG1-CD1 3.91Å; V16-I20 WeakPolarHBondContact O-CG1 3.34Å; V16-I20 PolarHBondContact O-N 2.98Å |
| 17 | M | 92.6 | Very high | 86.4 | Confident | 114 Ų | 114 | 98.2 Ų | 98.2 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 178 | -70 | -57.1 | -62.8 | 0 | 0 | 111.9 | L13 L14 Y19 I20 S21 | L13-M17 WeakPolarHBondContact O-CG 3.34Å; L13-M17 PolarHBondContact O-N 3.2Å; L14-M17 PolarHBondContact O-N 3.43Å; M17-Y19 VanDerWaalsContact C-N 3.35Å; M17-Y19 PolarHBondContact O-N 3.13Å; M17-I20 PolarHBondContact O-N 2.93Å; M17-I20 HydrophobicContact SD-CD1 4.38Å; M17-S21 PolarHBondContact O-N 3.46Å; M17-S21 PolarHBondContact O-OG 3.07Å; M17-S21 VanDerWaalsContact O-OG 3.13Å |
| 18 | Y | 93.6 | Very high | 85 | Confident | 156 Ų | 156 | 98.8 Ų | 98.8 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 175 | 180 | -106.9 | 0 | 0 | 0 | 112.2 | L14 V15 V16 S21 I22 | L14-Y18 WeakPolarHBondContact O-CB 3.33Å; L14-Y18 PolarHBondContact O-N 3.39Å; V15-Y18 PolarHBondContact O-N 2.97Å; V16-Y18 VanDerWaalsContact C-N 3.33Å; V16-Y18 PolarHBondContact O-N 3.44Å; Y18-S21 WeakPolarHBondContact O-CB 3.39Å; Y18-S21 PolarHBondContact O-N 3.26Å; Y18-I22 HydrophobicContact CD1-CD1 3.9Å; Y18-I22 HydrophobicContact CE1-CD1 3.34Å; Y18-I22 HydrophobicContact CE1-CG1 4.34Å; Y18-I22 HydrophobicContact CE2-CD1 4.34Å; Y18-I22 PolarHBondContact O-N 3.48Å |
| 19 | Y | 92.6 | Very high | 83.3 | Confident | 154 Ų | 154 | 100.1 Ų | 100.1 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 176.8 | -126.6 | -83.9 | 0 | 0 | 0 | 112.3 | V15 V16 M17 S21 I22 I23 | V15-Y19 PolarHBondContact O-N 3.48Å; V16-Y19 PolarHBondContact O-N 3.29Å; M17-Y19 VanDerWaalsContact C-N 3.35Å; M17-Y19 PolarHBondContact O-N 3.13Å; Y19-S21 VanDerWaalsContact C-N 3.31Å; Y19-S21 PolarHBondContact O-N 3.34Å; Y19-I22 PolarHBondContact O-N 3.3Å; Y19-I23 HydrophobicContact CD1-CD1 4.13Å; Y19-I23 WeakPolarHBondContact O-CG1 3.48Å; Y19-I23 PolarHBondContact O-N 2.94Å |
| 20 | I | 87.8 | Confident | 81.4 | Confident | 88 Ų | 88 | 99.1 Ų | 99.1 | 45% | 0.451 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 175.2 | -65.8 | 166.4 | 0 | 0 | 0 | 110.1 | V16 M17 I22 I23 N24 | V16-I20 HydrophobicContact CG1-CD1 3.91Å; V16-I20 WeakPolarHBondContact O-CG1 3.34Å; V16-I20 PolarHBondContact O-N 2.98Å; M17-I20 PolarHBondContact O-N 2.93Å; M17-I20 HydrophobicContact SD-CD1 4.38Å; I20-I22 PolarHBondContact O-N 3.04Å; I20-I23 PolarHBondContact O-N 2.72Å; I20-N24 WeakPolarHBondContact O-CB 3.45Å; I20-N24 PolarHBondContact O-N 2.98Å |
| 21 | S | 85 | Confident | 79.4 | Confident | 61 Ų | 61 | 98.5 Ų | 98.5 | 43% | 0.427 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | M17 Y18 Y19 N24 I25 | M17-S21 PolarHBondContact O-N 3.46Å; M17-S21 PolarHBondContact O-OG 3.07Å; M17-S21 VanDerWaalsContact O-OG 3.13Å; Y18-S21 WeakPolarHBondContact O-CB 3.39Å; Y18-S21 PolarHBondContact O-N 3.26Å; Y19-S21 VanDerWaalsContact C-N 3.31Å; Y19-S21 PolarHBondContact O-N 3.34Å; S21-N24 PolarHBondContact O-N 3.36Å; S21-I25 WeakPolarHBondContact O-CD1 3.46Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.32Å; S21-I25 PolarHBondContact O-N 3.38Å |
| 22 | I | 84 | Confident | 77.3 | Confident | 57 Ų | 57 | 96.9 Ų | 96.9 | 29% | 0.292 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 177 | -69 | 173.7 | 0 | 0 | 0 | 111.2 | Y18 Y19 I20 N24 I25 Q26 | Y18-I22 HydrophobicContact CD1-CD1 3.9Å; Y18-I22 HydrophobicContact CE1-CD1 3.34Å; Y18-I22 HydrophobicContact CE1-CG1 4.34Å; Y18-I22 HydrophobicContact CE2-CD1 4.34Å; Y18-I22 PolarHBondContact O-N 3.48Å; Y19-I22 PolarHBondContact O-N 3.3Å; I20-I22 PolarHBondContact O-N 3.04Å; I22-N24 VanDerWaalsContact C-N 3.29Å; I22-N24 PolarHBondContact O-N 3.42Å; I22-I25 PolarHBondContact O-N 2.99Å; I22-Q26 PolarHBondContact O-N 3.28Å |
| 23 | I | 79.6 | Confident | 75.1 | Confident | 95 Ų | 95 | 97.6 Ų | 97.6 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 179 | -66.8 | 169 | 0 | 0 | 0 | 110.2 | Y19 I20 I25 Q26 S27 | Y19-I23 HydrophobicContact CD1-CD1 4.13Å; Y19-I23 WeakPolarHBondContact O-CG1 3.48Å; Y19-I23 PolarHBondContact O-N 2.94Å; I20-I23 PolarHBondContact O-N 2.72Å; I23-I25 PolarHBondContact O-N 3.05Å; I23-Q26 PolarHBondContact O-N 3.45Å; I23-S27 WeakPolarHBondContact O-CB 3.28Å; I23-S27 PolarHBondContact O-N 3.21Å |
| 24 | N | 76.9 | Confident | 72.9 | Confident | 98 Ų | 98 | 98 Ų | 98 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.8 | -119.1 | 2.5 | 0 | 0 | 0 | 111.5 | I20 S21 I22 Q26 S27 I28 | I20-N24 WeakPolarHBondContact O-CB 3.45Å; I20-N24 PolarHBondContact O-N 2.98Å; S21-N24 PolarHBondContact O-N 3.36Å; I22-N24 VanDerWaalsContact C-N 3.29Å; I22-N24 PolarHBondContact O-N 3.42Å; N24-Q26 PolarHBondContact O-N 3.35Å; N24-S27 PolarHBondContact O-N 3.49Å; N24-S27 PolarHBondContact O-OG 2.93Å; N24-I28 WeakPolarHBondContact O-CG1 3.39Å; N24-I28 PolarHBondContact O-N 3Å |
| 25 | I | 71.6 | Confident | 70.4 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 178.3 | -68.8 | 159.7 | 0 | 0 | 0 | 111.2 | S21 I22 I23 S27 I28 N29 | S21-I25 WeakPolarHBondContact O-CD1 3.46Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.32Å; S21-I25 PolarHBondContact O-N 3.38Å; I22-I25 PolarHBondContact O-N 2.99Å; I23-I25 PolarHBondContact O-N 3.05Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.16Å; I25-I28 PolarHBondContact O-N 3.32Å; I25-N29 PolarHBondContact O-N 3.47Å; I25-N29 VanDerWaalsContact O-N 3.16Å |
| 26 | Q | 64.4 | Low | 68.1 | Low | 126 Ų | 126 | 97.5 Ų | 97.5 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 176.6 | -74.6 | -178.1 | -22.8 | 0 | 0 | 111.9 | I22 I23 N24 I28 N29 C30 | I22-Q26 PolarHBondContact O-N 3.28Å; I23-Q26 PolarHBondContact O-N 3.45Å; N24-Q26 PolarHBondContact O-N 3.35Å; Q26-I28 VanDerWaalsContact C-N 3.32Å; Q26-I28 PolarHBondContact O-N 3.12Å; Q26-N29 PolarHBondContact O-N 3.19Å; Q26-C30 PolarHBondContact O-N 2.78Å; Q26-C30 VanDerWaalsContact O-N 3.12Å |
| 27 | S | 60.2 | Low | 65.9 | Low | 51 Ų | 51 | 101.4 Ų | 101.4 | 36% | 0.357 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 178.1 | 77.7 | 0 | 0 | 0 | 0 | 113 | I23 N24 I25 T31 | I23-S27 WeakPolarHBondContact O-CB 3.28Å; I23-S27 PolarHBondContact O-N 3.21Å; N24-S27 PolarHBondContact O-N 3.49Å; N24-S27 PolarHBondContact O-OG 2.93Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3.16Å; S27-T31 WeakPolarHBondContact O-CB 3.21Å; S27-T31 VanDerWaalsContact O-CG2 3.24Å; S27-T31 WeakPolarHBondContact O-CG2 3.24Å; S27-T31 PolarHBondContact O-N 3.28Å; S27-T31 PolarHBondContact O-OG1 3.18Å |
| 28 | I | 57.3 | Low | 63.7 | Low | 92 Ų | 92 | 102 Ų | 102 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.9 | -41.7 | 176.3 | -65.1 | 161.3 | 0 | 0 | 0 | 110.6 | N24 I25 Q26 C30 T31 T32 | N24-I28 WeakPolarHBondContact O-CG1 3.39Å; N24-I28 PolarHBondContact O-N 3Å; I25-I28 PolarHBondContact O-N 3.32Å; Q26-I28 VanDerWaalsContact C-N 3.32Å; Q26-I28 PolarHBondContact O-N 3.12Å; I28-C30 VanDerWaalsContact C-N 3.35Å; I28-C30 PolarHBondContact O-N 3.43Å; I28-T31 PolarHBondContact O-N 3.35Å; I28-T31 PolarHBondContact O-OG1 3.45Å; I28-T32 HydrophobicContact CG2-CG2 4.19Å; I28-T32 WeakPolarHBondContact O-CG2 3.44Å; I28-T32 PolarHBondContact O-N 3.41Å; I28-T32 PolarHBondContact O-OG1 3.12Å; I28-T32 VanDerWaalsContact O-OG1 3.12Å |
| 29 | N | 53.8 | Low | 61.5 | Low | 118 Ų | 118 | 102 Ų | 102 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68 | -33.9 | -179.9 | -73.3 | -9.5 | 0 | 0 | 0 | 112.7 | I25 Q26 | I25-N29 PolarHBondContact O-N 3.47Å; I25-N29 VanDerWaalsContact O-N 3.16Å; Q26-N29 PolarHBondContact O-N 3.19Å |
| 30 | C | 51.4 | Low | 59.6 | Low | 80 Ų | 80 | 98.1 Ų | 98.1 | 54% | 0.541 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -32.9 | 176.1 | -69.5 | 0 | 0 | 0 | 0 | 112.7 | Q26 I28 | Q26-C30 PolarHBondContact O-N 2.78Å; Q26-C30 VanDerWaalsContact O-N 3.12Å; I28-C30 VanDerWaalsContact C-N 3.35Å; I28-C30 PolarHBondContact O-N 3.43Å |
| 31 | T | 50.1 | Low | 58.1 | Low | 80 Ų | 80 | 102.3 Ų | 102.3 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -83.6 | -15.6 | -171.7 | 48.3 | 0 | 0 | 0 | 0 | 115.1 | S27 I28 | S27-T31 WeakPolarHBondContact O-CB 3.21Å; S27-T31 VanDerWaalsContact O-CG2 3.24Å; S27-T31 WeakPolarHBondContact O-CG2 3.24Å; S27-T31 PolarHBondContact O-N 3.28Å; S27-T31 PolarHBondContact O-OG1 3.18Å; I28-T31 PolarHBondContact O-N 3.35Å; I28-T31 PolarHBondContact O-OG1 3.45Å |
| 32 | T | 49.6 | Very low | 56.8 | Low | 84 Ų | 84 | 107.4 Ų | 107.4 | 52% | 0.515 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | -22.8 | -160 | 39.6 | 0 | 0 | 0 | 0 | 116.6 | I28 | I28-T32 HydrophobicContact CG2-CG2 4.19Å; I28-T32 WeakPolarHBondContact O-CG2 3.44Å; I28-T32 PolarHBondContact O-N 3.41Å; I28-T32 PolarHBondContact O-OG1 3.12Å; I28-T32 VanDerWaalsContact O-OG1 3.12Å |
| 33 | I | 47.8 | Very low | 55.5 | Low | 125 Ų | 125 | 110 Ų | 110 | 64% | 0.641 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | -42.4 | -175.2 | -51.4 | 177.2 | 0 | 0 | 0 | 114.4 | ||
| 34 | N | 46.9 | Very low | 54.6 | Low | 116 Ų | 116 | 111 Ų | 111 | 62% | 0.62 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -27.7 | -168.9 | -67.7 | -20.5 | 0 | 0 | 0 | 114.3 | L36 L37 I38 | N34-L36 VanDerWaalsContact C-N 3.32Å; N34-L36 PolarHBondContact O-N 3.41Å; N34-L37 PolarHBondContact O-N 3.38Å; N34-L37 VanDerWaalsContact O-N 3.09Å; N34-I38 PolarHBondContact O-N 3.03Å |
| 35 | D | 42.9 | Very low | 54 | Low | 71 Ų | 71 | 114.9 Ų | 114.9 | 38% | 0.38 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | -22.7 | -178.9 | -95.4 | -4.5 | 0 | 0 | 0 | 113.2 | L37 I38 Y39 | D35-L37 PolarHBondContact O-N 3.33Å; D35-I38 PolarHBondContact O-N 3.09Å; D35-Y39 WeakPolarHBondContact O-CD2 2.91Å; D35-Y39 WeakPolarHBondContact O-CE2 3.12Å |
| 36 | L | 46.3 | Very low | 53.4 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -14.9 | 169.3 | -83.3 | 117.1 | 0 | 0 | 0 | 113.4 | N34 | N34-L36 VanDerWaalsContact C-N 3.32Å; N34-L36 PolarHBondContact O-N 3.41Å |
| 37 | L | 48.7 | Very low | 53.4 | Low | 150 Ų | 150 | 113.7 Ų | 113.7 | 79% | 0.785 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | -11.8 | -178.7 | -76.5 | 132.8 | 0 | 0 | 0 | 114.4 | N34 D35 Y39 | N34-L37 PolarHBondContact O-N 3.38Å; N34-L37 VanDerWaalsContact O-N 3.09Å; D35-L37 PolarHBondContact O-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.41Å |
| 38 | I | 46.4 | Very low | 53.5 | Low | 126 Ų | 126 | 118.8 Ų | 118.8 | 65% | 0.646 | 59% | 0.591 | S | S | * | * | trans | -96.5 | 79.4 | 174.2 | -64.5 | 171.6 | 0 | 0 | 0 | 108.4 | N34 D35 | N34-I38 PolarHBondContact O-N 3.03Å; D35-I38 PolarHBondContact O-N 3.09Å | ||
| 39 | Y | 48.3 | Very low | 53.9 | Low | 158 Ų | 158 | 119.1 Ų | 119.1 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | trans | -120.1 | 143.5 | 178.6 | -91.6 | -90 | 0 | 0 | 0 | 113.7 | D35 L37 | D35-Y39 WeakPolarHBondContact O-CD2 2.91Å; D35-Y39 WeakPolarHBondContact O-CE2 3.12Å; L37-Y39 PolarHBondContact O-N 3.41Å | ||
| 40 | P | 53.4 | Low | 54.6 | Low | 71 Ų | 71 | 117.2 Ų | 117.2 | 46% | 0.461 | 58% | 0.582 | S | S | . | * | trans | -66 | 143.7 | -165.6 | 26.7 | -31.4 | 0 | 0 | 0 | 111.6 | Q42 H43 | P40-Q42 PolarHBondContact O-N 3.21Å; P40-H43 PolarHBondContact O-N 3.46Å | ||
| 41 | K | 54.9 | Low | 55.2 | Low | 176 Ų | 176 | 117.2 Ų | 117.2 | 77% | 0.765 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -47.9 | -25.4 | -178.8 | -92.4 | 178.4 | 176.2 | 175.9 | 0 | 114.3 | H43 K44 | K41-H43 PolarHBondContact O-N 2.86Å; K41-K44 HydrophobicContact CG-CD 4.42Å |
| 42 | Q | 59.3 | Low | 55.7 | Low | 169 Ų | 169 | 118.1 Ų | 118.1 | 79% | 0.79 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -68 | -30.6 | -174.1 | -63.9 | -176.3 | -14 | 0 | 0 | 113.4 | P40 | P40-Q42 PolarHBondContact O-N 3.21Š|
| 43 | H | 55.3 | Low | 56.1 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -105.3 | 11.2 | -175.8 | -53.8 | -64.5 | 0 | 0 | 0 | 114.3 | P40 K41 K45 L46 F47 | P40-H43 PolarHBondContact O-N 3.46Å; K41-H43 PolarHBondContact O-N 2.86Å; H43-K45 PolarHBondContact O-N 3.46Å; H43-K45 VanDerWaalsContact O-N 3.08Å; H43-L46 PolarHBondContact O-N 3.21Å; H43-L46 VanDerWaalsContact O-N 3.09Å; H43-F47 WeakPolarHBondContact O-CB 3.05Å; H43-F47 PolarHBondContact O-N 3.33Å |
| 44 | K | 61.9 | Low | 56.9 | Low | 116 Ų | 116 | 115.5 Ų | 115.5 | 50% | 0.504 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -52.9 | -35.6 | -178.2 | -76.4 | -175.2 | 174.2 | -169.5 | 0 | 113.5 | K41 K48 | K41-K44 HydrophobicContact CG-CD 4.42Å; K44-K48 WeakPolarHBondContact O-CB 2.89Å; K44-K48 VanDerWaalsContact O-CG 3.24Å; K44-K48 WeakPolarHBondContact O-CG 3.4Å; K44-K48 PolarHBondContact O-N 3.04Å |
| 45 | K | 63.8 | Low | 57.4 | Low | 180 Ų | 180 | 120 Ų | 120 | 78% | 0.783 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.7 | -50.2 | 177.8 | -74.3 | -174.2 | 178.8 | -179.2 | 0 | 111.8 | H43 F47 K48 I49 | H43-K45 PolarHBondContact O-N 3.46Å; H43-K45 VanDerWaalsContact O-N 3.08Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.08Å; K45-K48 PolarHBondContact O-N 2.92Å; K45-I49 WeakPolarHBondContact O-CG1 3.39Å; K45-I49 PolarHBondContact O-N 2.85Å |
| 46 | L | 59.6 | Low | 58.4 | Low | 113 Ų | 113 | 118 Ų | 118 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | -179 | -141.3 | 94.1 | 0 | 0 | 0 | 110.7 | H43 I49 I50 | H43-L46 PolarHBondContact O-N 3.21Å; H43-L46 VanDerWaalsContact O-N 3.09Å; L46-I49 WeakPolarHBondContact O-CB 3.13Å; L46-I49 PolarHBondContact O-N 3.09Å; L46-I50 HydrophobicContact CD2-CD1 4.07Å; L46-I50 HydrophobicContact CG-CD1 4.41Å; L46-I50 VanDerWaalsContact O-CG1 3.3Å; L46-I50 WeakPolarHBondContact O-CG1 3.41Å; L46-I50 PolarHBondContact O-N 3.07Å |
| 47 | F | 62.8 | Low | 59.2 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 39% | 0.386 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 178.1 | -171.3 | -98.1 | 0 | 0 | 0 | 112.5 | H43 K45 I49 I50 H51 | H43-F47 WeakPolarHBondContact O-CB 3.05Å; H43-F47 PolarHBondContact O-N 3.33Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 3.08Å; F47-I49 VanDerWaalsContact C-N 3.27Å; F47-I49 PolarHBondContact O-N 2.81Å; F47-I50 PolarHBondContact O-N 3.39Å; F47-H51 AromaticContact CD1-CD2 3.61Å; F47-H51 AromaticContact CD2-CD2 3.85Å; F47-H51 AromaticContact CE1-CD2 3.13Å; F47-H51 WeakPolarHBondContact CE1-CD2 3.41Å; F47-H51 AromaticContact CE1-CG 3.94Å; F47-H51 AromaticContact CE1-NE2 3.41Å; F47-H51 WeakPolarHBondContact CE1-NE2 3.3Å; F47-H51 AromaticContact CE2-CD2 3.4Å; F47-H51 VanDerWaalsContact CE2-CD2 3.4Å; F47-H51 WeakPolarHBondContact CE2-CD2 3.49Å; F47-H51 AromaticContact CE2-NE2 3.39Å; F47-H51 WeakPolarHBondContact CE2-NE2 3.36Å; F47-H51 AromaticContact CG-CD2 3.98Å; F47-H51 AromaticContact CZ-CD2 3.05Å; F47-H51 WeakPolarHBondContact CZ-CD2 3.45Å; F47-H51 AromaticContact CZ-CE1 3.96Å; F47-H51 AromaticContact CZ-NE2 2.89Å; F47-H51 WeakPolarHBondContact CZ-NE2 3.29Å; F47-H51 WeakPolarHBondContact O-CB 3.24Å; F47-H51 PolarHBondContact O-N 3.14Å |
| 48 | K | 63.7 | Low | 59.8 | Low | 157 Ų | 157 | 111.7 Ų | 111.7 | 68% | 0.683 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.6 | -44.6 | 171.9 | -84.2 | -179.1 | 179.4 | -169.9 | 0 | 110.9 | K44 K45 Y52 | K44-K48 WeakPolarHBondContact O-CB 2.89Å; K44-K48 VanDerWaalsContact O-CG 3.24Å; K44-K48 WeakPolarHBondContact O-CG 3.4Å; K44-K48 PolarHBondContact O-N 3.04Å; K45-K48 PolarHBondContact O-N 2.92Å; K48-Y52 WeakPolarHBondContact O-CB 3.23Å; K48-Y52 PolarHBondContact O-N 2.82Å |
| 49 | I | 66 | Low | 60.7 | Low | 100 Ų | 100 | 107.1 Ų | 107.1 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 177.6 | -65.9 | 163.8 | 0 | 0 | 0 | 110.7 | K45 L46 F47 Y52 L53 | K45-I49 WeakPolarHBondContact O-CG1 3.39Å; K45-I49 PolarHBondContact O-N 2.85Å; L46-I49 WeakPolarHBondContact O-CB 3.13Å; L46-I49 PolarHBondContact O-N 3.09Å; F47-I49 VanDerWaalsContact C-N 3.27Å; F47-I49 PolarHBondContact O-N 2.81Å; I49-Y52 WeakPolarHBondContact O-CB 3.41Å; I49-Y52 PolarHBondContact O-N 3.34Å; I49-L53 HydrophobicContact CG2-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CG 4.33Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 VanDerWaalsContact O-CG 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.48Å; I49-L53 PolarHBondContact O-N 2.85Å |
| 50 | I | 67.2 | Low | 62 | Low | 78 Ų | 78 | 109.2 Ų | 109.2 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -50.3 | 179.5 | -69.9 | 162.1 | 0 | 0 | 0 | 111.1 | L46 F47 Y52 L53 I54 | L46-I50 HydrophobicContact CD2-CD1 4.07Å; L46-I50 HydrophobicContact CG-CD1 4.41Å; L46-I50 VanDerWaalsContact O-CG1 3.3Å; L46-I50 WeakPolarHBondContact O-CG1 3.41Å; L46-I50 PolarHBondContact O-N 3.07Å; F47-I50 PolarHBondContact O-N 3.39Å; I50-Y52 VanDerWaalsContact C-N 3.26Å; I50-Y52 PolarHBondContact O-N 3.25Å; I50-L53 PolarHBondContact O-N 3.19Å; I50-I54 HydrophobicContact CG2-CD1 3.61Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.17Å; I50-I54 PolarHBondContact O-N 2.94Å |
| 51 | H | 64 | Low | 63.5 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 37% | 0.366 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 177.6 | -98.8 | -91.1 | 0 | 0 | 0 | 112.7 | F47 R55 | F47-H51 AromaticContact CD1-CD2 3.61Å; F47-H51 AromaticContact CD2-CD2 3.85Å; F47-H51 AromaticContact CE1-CD2 3.13Å; F47-H51 WeakPolarHBondContact CE1-CD2 3.41Å; F47-H51 AromaticContact CE1-CG 3.94Å; F47-H51 AromaticContact CE1-NE2 3.41Å; F47-H51 WeakPolarHBondContact CE1-NE2 3.3Å; F47-H51 AromaticContact CE2-CD2 3.4Å; F47-H51 VanDerWaalsContact CE2-CD2 3.4Å; F47-H51 WeakPolarHBondContact CE2-CD2 3.49Å; F47-H51 AromaticContact CE2-NE2 3.39Å; F47-H51 WeakPolarHBondContact CE2-NE2 3.36Å; F47-H51 AromaticContact CG-CD2 3.98Å; F47-H51 AromaticContact CZ-CD2 3.05Å; F47-H51 WeakPolarHBondContact CZ-CD2 3.45Å; F47-H51 AromaticContact CZ-CE1 3.96Å; F47-H51 AromaticContact CZ-NE2 2.89Å; F47-H51 WeakPolarHBondContact CZ-NE2 3.29Å; F47-H51 WeakPolarHBondContact O-CB 3.24Å; F47-H51 PolarHBondContact O-N 3.14Å; H51-R55 WeakPolarHBondContact O-CB 3.33Å; H51-R55 PolarHBondContact O-N 3.14Å |
| 52 | Y | 61.7 | Low | 64.9 | Low | 100 Ų | 100 | 103.3 Ų | 103.3 | 39% | 0.392 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -47 | 175.8 | -174.6 | -95.2 | 0 | 0 | 0 | 111 | K48 I49 I50 Q56 P73 W74 | K48-Y52 WeakPolarHBondContact O-CB 3.23Å; K48-Y52 PolarHBondContact O-N 2.82Å; I49-Y52 WeakPolarHBondContact O-CB 3.41Å; I49-Y52 PolarHBondContact O-N 3.34Å; I50-Y52 VanDerWaalsContact C-N 3.26Å; I50-Y52 PolarHBondContact O-N 3.25Å; Y52-Q56 WeakPolarHBondContact O-CB 3.5Å; Y52-Q56 WeakPolarHBondContact O-CG 3Å; Y52-Q56 PolarHBondContact O-N 3.48Å; Y52-Q56 PolarHBondContact OH-NE2 2.85Å; Y52-P73 HydrophobicContact CE1-CB 3.56Å; Y52-P73 WeakPolarHBondContact CE1-O 3.47Å; Y52-P73 PolarHBondContact OH-O 3.27Å; Y52-W74 VanDerWaalsContact OH-CA 3.28Å; Y52-W74 WeakPolarHBondContact OH-CA 3.22Å; Y52-W74 PolarHBondContact OH-N 3.22Å |
| 53 | L | 58.1 | Low | 66.2 | Low | 58 Ų | 58 | 98.1 Ų | 98.1 | 30% | 0.304 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.7 | -72.2 | 175 | 0 | 0 | 0 | 112.5 | I49 I50 Q56 C57 K69 | I49-L53 HydrophobicContact CG2-CD1 3.93Å; I49-L53 HydrophobicContact CG2-CG 4.33Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 VanDerWaalsContact O-CG 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.48Å; I49-L53 PolarHBondContact O-N 2.85Å; I50-L53 PolarHBondContact O-N 3.19Å; L53-Q56 PolarHBondContact O-N 2.97Å; L53-C57 WeakPolarHBondContact O-CB 3.43Å; L53-C57 PolarHBondContact O-N 3.36Å; L53-C57 PolarHBondContact O-SG 3.34Å; L53-K69 VanDerWaalsContact CD2-CE 3.46Å |
| 54 | I | 62.9 | Low | 67.6 | Low | 96 Ų | 96 | 103.9 Ų | 103.9 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -53.1 | 178.9 | -69.4 | 167.9 | 0 | 0 | 0 | 109.6 | I50 Q56 C57 V58 | I50-I54 HydrophobicContact CG2-CD1 3.61Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 VanDerWaalsContact O-CG1 3.29Å; I50-I54 WeakPolarHBondContact O-CG1 3.17Å; I50-I54 PolarHBondContact O-N 2.94Å; I54-Q56 PolarHBondContact O-N 3.45Å; I54-Q56 VanDerWaalsContact O-N 3.14Å; I54-C57 PolarHBondContact O-N 3.19Å; I54-C57 VanDerWaalsContact O-N 3.14Å; I54-V58 HydrophobicContact CG2-CG2 4.38Å; I54-V58 WeakPolarHBondContact O-CG2 2.99Å |
| 55 | R | 59 | Low | 68.7 | Low | 210 Ų | 210 | 99.1 Ų | 99.1 | 79% | 0.792 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.3 | -26.3 | -178.2 | -84.2 | -173.1 | 173.3 | 164.3 | -1.1 | 113.8 | H51 | H51-R55 WeakPolarHBondContact O-CB 3.33Å; H51-R55 PolarHBondContact O-N 3.14Å |
| 56 | Q | 63.7 | Low | 69.8 | Low | 30 Ų | 30 | 97.7 Ų | 97.7 | 14% | 0.14 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -85.6 | -16 | -178.9 | -72.8 | -177.9 | -28.8 | 0 | 0 | 114.2 | Y52 L53 I54 P73 C77 | Y52-Q56 WeakPolarHBondContact O-CB 3.5Å; Y52-Q56 WeakPolarHBondContact O-CG 3Å; Y52-Q56 PolarHBondContact O-N 3.48Å; Y52-Q56 PolarHBondContact OH-NE2 2.85Å; L53-Q56 PolarHBondContact O-N 2.97Å; I54-Q56 PolarHBondContact O-N 3.45Å; I54-Q56 VanDerWaalsContact O-N 3.14Å; Q56-P73 VanDerWaalsContact CD-O 3.31Å; Q56-P73 PolarHBondContact NE2-O 2.03Å; Q56-P73 PolarHBondContact OE1-O 3.36Å; Q56-P73 VanDerWaalsContact OE1-O 3.07Å; Q56-C77 WeakPolarHBondContact O-CB 3.35Å; Q56-C77 PolarHBondContact O-N 2.85Å |
| 57 | C | 63.2 | Low | 71.1 | Confident | 35 Ų | 35 | 96.2 Ų | 96.2 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | trans | -126 | 25.9 | -168.2 | -55.7 | 0 | 0 | 0 | 0 | 114.5 | L53 I54 P59 C77 | L53-C57 WeakPolarHBondContact O-CB 3.43Å; L53-C57 PolarHBondContact O-N 3.36Å; L53-C57 PolarHBondContact O-SG 3.34Å; I54-C57 PolarHBondContact O-N 3.19Å; I54-C57 VanDerWaalsContact O-N 3.14Å; C57-P59 WeakPolarHBondContact O-CD 3.46Å; C57-C77 HydrophobicContact CB-CB 3.68Å; C57-C77 WeakPolarHBondContact CB-SG 3.48Å; C57-C77 WeakPolarHBondContact SG-CB 3.25Å; C57-C77 CovalentContact SG-SG 2.04Å; C57-C77 PolarHBondContact SG-SG 3.33Å | ||
| 58 | V | 61.3 | Low | 72.1 | Confident | 96 Ų | 96 | 95.7 Ų | 95.7 | 58% | 0.582 | 45% | 0.447 | S | S | * | . | trans | -93.2 | 44.2 | 169.9 | -155 | 0 | 0 | 0 | 0 | 114.3 | I54 | I54-V58 HydrophobicContact CG2-CG2 4.38Å; I54-V58 WeakPolarHBondContact O-CG2 2.99Å | ||
| 59 | P | 64.6 | Low | 72.9 | Confident | 29 Ų | 29 | 94.2 Ų | 94.2 | 19% | 0.188 | 44% | 0.441 | C | S | . | . | trans | -104.9 | 110.9 | 147.9 | 30.1 | -23 | 0 | 0 | 0 | 108.4 | C57 C61 L67 | C57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-C61 PolarHBondContact O-N 2.04Å; P59-L67 HydrophobicContact CG-CD1 4.45Å | ||
| 60 | Y | 74.7 | Confident | 73.6 | Confident | 203 Ų | 203 | 90.5 Ų | 90.5 | 80% | 0.796 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 123.4 | 163.5 | -68.2 | -85.4 | 0 | 0 | 0 | 107.3 | ||
| 61 | C | 84.5 | Confident | 74.1 | Confident | 30 Ų | 30 | 94.8 Ų | 94.8 | 20% | 0.203 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 130.1 | 176.8 | -54.1 | 0 | 0 | 0 | 0 | 110 | P59 G65 L67 C79 | P59-C61 PolarHBondContact O-N 2.04Å; C61-G65 WeakPolarHBondContact CB-O 2.98Å; C61-L67 WeakPolarHBondContact SG-CA 3.17Å; C61-L67 PolarHBondContact SG-N 3.48Å; C61-L67 VanDerWaalsContact SG-N 3.45Å; C61-C79 WeakPolarHBondContact CA-SG 2.97Å; C61-C79 HydrophobicContact CB-CB 3.76Å; C61-C79 WeakPolarHBondContact CB-SG 3.4Å; C61-C79 VanDerWaalsContact SG-CA 3.51Å; C61-C79 WeakPolarHBondContact SG-CB 3.01Å; C61-C79 CovalentContact SG-SG 2.03Å; C61-C79 PolarHBondContact SG-SG 3.21Å |
| 62 | L | 85.5 | Confident | 74.6 | Confident | 92 Ų | 92 | 95 Ų | 95 | 48% | 0.482 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -90.4 | 171 | 175 | -61.8 | 170.6 | 0 | 0 | 0 | 110.3 | Y64 G65 A89 E91 | L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-Y64 PolarHBondContact O-N 2.75Å; L62-G65 PolarHBondContact O-N 3.07Å; L62-A89 WeakPolarHBondContact CB-O 3.31Å; L62-A89 PolarHBondContact N-O 3.03Å; L62-E91 HydrophobicContact CD1-CB 4.24Å |
| 63 | N | 87.1 | Confident | 75 | Confident | 60 Ų | 60 | 93.7 Ų | 93.7 | 32% | 0.321 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 45.2 | 168.9 | -59.9 | -46.1 | 0 | 0 | 0 | 114.6 | G65 P82 Y85 C90 | N63-G65 PolarHBondContact O-N 3.01Å; N63-P82 WeakPolarHBondContact O-CG 3.23Å; N63-Y85 HydrophobicContact CB-CD1 3.52Å; N63-Y85 HydrophobicContact CB-CD2 4.13Å; N63-Y85 HydrophobicContact CB-CE1 3.48Å; N63-Y85 VanDerWaalsContact CB-CE1 3.48Å; N63-Y85 HydrophobicContact CB-CE2 4.09Å; N63-Y85 HydrophobicContact CB-CG 3.83Å; N63-Y85 VanDerWaalsContact ND2-CD1 3.27Å; N63-Y85 WeakPolarHBondContact ND2-CD1 3.46Å; N63-Y85 WeakPolarHBondContact ND2-CE1 3.47Å; N63-C90 PolarHBondContact ND2-O 2.59Å |
| 64 | Y | 84.8 | Confident | 75.5 | Confident | 232 Ų | 232 | 99 Ų | 99 | 91% | 0.91 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 16.8 | -176.6 | -51.8 | -85.5 | 0 | 0 | 0 | 115 | L62 | L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-Y64 PolarHBondContact O-N 2.75Å |
| 65 | G | 85.1 | Confident | 76 | Confident | 15 Ų | 15 | 99.3 Ų | 99.3 | 16% | 0.155 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 140.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C61 L62 N63 I80 | C61-G65 WeakPolarHBondContact CB-O 2.98Å; L62-G65 PolarHBondContact O-N 3.07Å; N63-G65 PolarHBondContact O-N 3.01Å; G65-I80 CarbonylContact C-O 3.54Å; G65-I80 VanDerWaalsContact CA-O 3.25Å; G65-I80 WeakPolarHBondContact CA-O 2.98Å |
| 66 | K | 86.8 | Confident | 76.8 | Confident | 150 Ų | 150 | 97.1 Ų | 97.1 | 65% | 0.652 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.7 | 178.5 | -173.5 | 179.3 | 178.9 | -175.1 | 0 | 109.6 | E68 C79 I80 | K66-E68 PolarHBondContact O-N 3.33Å; K66-C79 WeakPolarHBondContact O-CA 3.08Å; K66-I80 HydrophobicContact CB-CB 4.36Å; K66-I80 PolarHBondContact N-O 2.03Å; K66-I80 PolarHBondContact O-N 2.58Å |
| 67 | L | 85.8 | Confident | 77.5 | Confident | 82 Ų | 82 | 96.2 Ų | 96.2 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 119.6 | 173.5 | -174.6 | 66.8 | 0 | 0 | 0 | 109.4 | P59 C61 C77 | P59-L67 HydrophobicContact CG-CD1 4.45Å; C61-L67 WeakPolarHBondContact SG-CA 3.17Å; C61-L67 PolarHBondContact SG-N 3.48Å; C61-L67 VanDerWaalsContact SG-N 3.45Å; L67-C77 HydrophobicContact CD1-CB 4.01Å |
| 68 | E | 83.6 | Confident | 78.4 | Confident | 77 Ų | 77 | 98 Ų | 98 | 36% | 0.36 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.3 | 175.4 | -167.6 | 162.4 | -151.2 | 0 | 0 | 110.2 | K66 C77 Y78 I80 | K66-E68 PolarHBondContact O-N 3.33Å; E68-C77 WeakPolarHBondContact O-CA 3.46Å; E68-Y78 HydrophobicContact CB-CD2 4.33Å; E68-Y78 HydrophobicContact CB-CE1 4.43Å; E68-Y78 HydrophobicContact CB-CE2 3.84Å; E68-Y78 HydrophobicContact CG-CE1 4.48Å; E68-Y78 HydrophobicContact CG-CE2 4.28Å; E68-Y78 PolarHBondContact N-O 2.9Å; E68-Y78 PolarHBondContact O-N 2.82Å; E68-Y78 WeakPolarHBondContact OE2-CE2 3.46Å; E68-Y78 PolarHBondContact OE2-OH 3.39Å; E68-I80 HydrophobicContact CB-CD1 4.13Å; E68-I80 HydrophobicContact CB-CG1 4.14Å; E68-I80 HydrophobicContact CG-CD1 4.48Å; E68-I80 WeakPolarHBondContact OE2-CD1 3.28Å; E68-I80 WeakPolarHBondContact OE2-CG1 3.23Å |
| 69 | K | 81.6 | Confident | 79.6 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 55% | 0.552 | 44% | 0.439 | S | S | * | . | trans | -94.4 | 123.5 | 176.4 | -176.2 | -176 | 176.6 | -176.1 | 0 | 108.5 | L53 | L53-K69 VanDerWaalsContact CD2-CE 3.46Š| ||
| 70 | P | 79.4 | Confident | 80.7 | Confident | 21 Ų | 21 | 95.5 Ų | 95.5 | 14% | 0.136 | 44% | 0.444 | C | S | . | . | trans | -70.3 | 150.6 | 177.8 | 29.6 | -35.7 | 0 | 0 | 0 | 111.2 | M72 K75 | P70-M72 PolarHBondContact O-N 3.33Å; P70-K75 HydrophobicContact CB-CB 3.55Å; P70-K75 HydrophobicContact CB-CD 4.21Å; P70-K75 HydrophobicContact CG-CB 3.6Å; P70-K75 VanDerWaalsContact CG-O 3.28Å; P70-K75 WeakPolarHBondContact CG-O 3.28Å | ||
| 71 | D | 77.9 | Confident | 81.3 | Confident | 169 Ų | 169 | 87.2 Ų | 87.2 | 90% | 0.904 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -66.2 | -29.1 | 175.4 | -62.3 | -35.4 | 0 | 0 | 0 | 112.7 | ||
| 72 | M | 76.3 | Confident | 81.6 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 41% | 0.409 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -99.8 | 134.6 | -173.2 | -70.4 | 169.3 | 171.5 | 0 | 0 | 111.3 | P70 W74 K75 | P70-M72 PolarHBondContact O-N 3.33Å; M72-W74 HydrophobicContact CB-CD2 4.08Å; M72-W74 HydrophobicContact CB-CE3 4.29Å; M72-W74 HydrophobicContact CB-CH2 3.92Å; M72-W74 HydrophobicContact CB-CZ2 3.72Å; M72-W74 HydrophobicContact CB-CZ3 4.2Å; M72-W74 HydrophobicContact CE-CH2 4.39Å; M72-W74 HydrophobicContact CE-CZ2 4.08Å; M72-W74 HydrophobicContact CG-CH2 3.74Å; M72-W74 HydrophobicContact CG-CZ2 3.61Å; M72-W74 HydrophobicContact CG-CZ3 4.43Å; M72-W74 PolarHBondContact O-N 2.87Å; M72-W74 HydrophobicContact SD-CH2 3.9Å; M72-W74 HydrophobicContact SD-CZ2 3.23Å; M72-W74 WeakPolarHBondContact SD-CZ2 3Å; M72-K75 HydrophobicContact CB-CD 4.36Å; M72-K75 HydrophobicContact CB-CG 4.37Å; M72-K75 PolarHBondContact O-N 3.21Å |
| 73 | P | 69.4 | Low | 81.5 | Confident | 72 Ų | 72 | 91 Ų | 91 | 47% | 0.468 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -36.6 | -174.8 | 22.1 | -30.5 | 0 | 0 | 0 | 112.6 | Y52 Q56 K75 | Y52-P73 HydrophobicContact CE1-CB 3.56Å; Y52-P73 WeakPolarHBondContact CE1-O 3.47Å; Y52-P73 PolarHBondContact OH-O 3.27Å; Q56-P73 VanDerWaalsContact CD-O 3.31Å; Q56-P73 PolarHBondContact NE2-O 2.03Å; Q56-P73 PolarHBondContact OE1-O 3.36Å; Q56-P73 VanDerWaalsContact OE1-O 3.07Å; P73-K75 PolarHBondContact O-N 3.21Å |
| 74 | W | 69 | Low | 81.5 | Confident | 170 Ų | 170 | 92.3 Ų | 92.3 | 64% | 0.644 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.9 | -178 | 56.6 | 92.1 | 0 | 0 | 0 | 114.4 | Y52 M72 | Y52-W74 VanDerWaalsContact OH-CA 3.28Å; Y52-W74 WeakPolarHBondContact OH-CA 3.22Å; Y52-W74 PolarHBondContact OH-N 3.22Å; M72-W74 HydrophobicContact CB-CD2 4.08Å; M72-W74 HydrophobicContact CB-CE3 4.29Å; M72-W74 HydrophobicContact CB-CH2 3.92Å; M72-W74 HydrophobicContact CB-CZ2 3.72Å; M72-W74 HydrophobicContact CB-CZ3 4.2Å; M72-W74 HydrophobicContact CE-CH2 4.39Å; M72-W74 HydrophobicContact CE-CZ2 4.08Å; M72-W74 HydrophobicContact CG-CH2 3.74Å; M72-W74 HydrophobicContact CG-CZ2 3.61Å; M72-W74 HydrophobicContact CG-CZ3 4.43Å; M72-W74 PolarHBondContact O-N 2.87Å; M72-W74 HydrophobicContact SD-CH2 3.9Å; M72-W74 HydrophobicContact SD-CZ2 3.23Å; M72-W74 WeakPolarHBondContact SD-CZ2 3Å |
| 75 | K | 72.5 | Confident | 81.6 | Confident | 103 Ų | 103 | 84.6 Ų | 84.6 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -89.5 | 141.7 | 176 | -68.2 | -175.2 | 178.9 | 179.5 | 0 | 110.1 | P70 M72 P73 | P70-K75 HydrophobicContact CB-CB 3.55Å; P70-K75 HydrophobicContact CB-CD 4.21Å; P70-K75 HydrophobicContact CG-CB 3.6Å; P70-K75 VanDerWaalsContact CG-O 3.28Å; P70-K75 WeakPolarHBondContact CG-O 3.28Å; M72-K75 HydrophobicContact CB-CD 4.36Å; M72-K75 HydrophobicContact CB-CG 4.37Å; M72-K75 PolarHBondContact O-N 3.21Å; P73-K75 PolarHBondContact O-N 3.21Å |
| 76 | K | 75.5 | Confident | 81.7 | Confident | 164 Ų | 164 | 86.7 Ų | 86.7 | 71% | 0.713 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 150.6 | 173.9 | -62.8 | 178.9 | -178.4 | 176.1 | 0 | 109.7 | ||
| 77 | C | 79.8 | Confident | 81.5 | Confident | 11 Ų | 11 | 80.7 Ų | 80.7 | 7% | 0.074 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 149.7 | 166.6 | -77.1 | 0 | 0 | 0 | 0 | 110 | Q56 C57 L67 E68 | Q56-C77 WeakPolarHBondContact O-CB 3.35Å; Q56-C77 PolarHBondContact O-N 2.85Å; C57-C77 HydrophobicContact CB-CB 3.68Å; C57-C77 WeakPolarHBondContact CB-SG 3.48Å; C57-C77 WeakPolarHBondContact SG-CB 3.25Å; C57-C77 CovalentContact SG-SG 2.04Å; C57-C77 PolarHBondContact SG-SG 3.33Å; L67-C77 HydrophobicContact CD1-CB 4.01Å; E68-C77 WeakPolarHBondContact O-CA 3.46Å |
| 78 | Y | 81.4 | Confident | 81.3 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 29% | 0.286 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 162 | 178.5 | 60.5 | -90 | 0 | 0 | 0 | 110.4 | E68 I80 | E68-Y78 HydrophobicContact CB-CD2 4.33Å; E68-Y78 HydrophobicContact CB-CE1 4.43Å; E68-Y78 HydrophobicContact CB-CE2 3.84Å; E68-Y78 HydrophobicContact CG-CE1 4.48Å; E68-Y78 HydrophobicContact CG-CE2 4.28Å; E68-Y78 PolarHBondContact N-O 2.9Å; E68-Y78 PolarHBondContact O-N 2.82Å; E68-Y78 WeakPolarHBondContact OE2-CE2 3.46Å; E68-Y78 PolarHBondContact OE2-OH 3.39Å; Y78-I80 HydrophobicContact CD2-CG1 4.49Å; Y78-I80 HydrophobicContact CE2-CG1 4.03Å |
| 79 | C | 86.3 | Confident | 81.4 | Confident | 13 Ų | 13 | 78.1 Ų | 78.1 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.4 | 176.3 | -64.3 | 0 | 0 | 0 | 0 | 110.5 | C61 K66 I88 | C61-C79 WeakPolarHBondContact CA-SG 2.97Å; C61-C79 HydrophobicContact CB-CB 3.76Å; C61-C79 WeakPolarHBondContact CB-SG 3.4Å; C61-C79 VanDerWaalsContact SG-CA 3.51Å; C61-C79 WeakPolarHBondContact SG-CB 3.01Å; C61-C79 CovalentContact SG-SG 2.03Å; C61-C79 PolarHBondContact SG-SG 3.21Å; K66-C79 WeakPolarHBondContact O-CA 3.08Å; C79-I88 WeakPolarHBondContact CB-O 3.28Å |
| 80 | I | 88.1 | Confident | 81.6 | Confident | 58 Ų | 58 | 72 Ų | 72 | 30% | 0.297 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.2 | 165.6 | -52.3 | 175.1 | 0 | 0 | 0 | 107.3 | G65 K66 E68 Y78 | G65-I80 CarbonylContact C-O 3.54Å; G65-I80 VanDerWaalsContact CA-O 3.25Å; G65-I80 WeakPolarHBondContact CA-O 2.98Å; K66-I80 HydrophobicContact CB-CB 4.36Å; K66-I80 PolarHBondContact N-O 2.03Å; K66-I80 PolarHBondContact O-N 2.58Å; E68-I80 HydrophobicContact CB-CD1 4.13Å; E68-I80 HydrophobicContact CB-CG1 4.14Å; E68-I80 HydrophobicContact CG-CD1 4.48Å; E68-I80 WeakPolarHBondContact OE2-CD1 3.28Å; E68-I80 WeakPolarHBondContact OE2-CG1 3.23Å; Y78-I80 HydrophobicContact CD2-CG1 4.49Å; Y78-I80 HydrophobicContact CE2-CG1 4.03Å |
| 81 | C | 87.9 | Confident | 81.7 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 20% | 0.203 | 38% | 0.376 | C | S | . | . | trans | -91.5 | 144.4 | -178 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | Y85 C90 | C81-Y85 WeakPolarHBondContact CB-O 3.27Å; C81-C90 WeakPolarHBondContact CA-SG 3.23Å; C81-C90 HydrophobicContact CB-CB 3.67Å; C81-C90 WeakPolarHBondContact CB-SG 3.18Å; C81-C90 WeakPolarHBondContact SG-CA 3.39Å; C81-C90 WeakPolarHBondContact SG-CB 3.16Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 2.9Å | ||
| 82 | P | 88.9 | Confident | 82.1 | Confident | 50 Ų | 50 | 71 Ų | 71 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | trans | -66.6 | 161.3 | 168.2 | 24.7 | -28.5 | 0 | 0 | 0 | 111.6 | N63 N84 Y85 | N63-P82 WeakPolarHBondContact O-CG 3.23Å; P82-N84 PolarHBondContact O-N 3.17Å; P82-Y85 HydrophobicContact CG-CD2 3.87Å; P82-Y85 PolarHBondContact O-N 2.94Å | ||
| 83 | D | 84.3 | Confident | 82.6 | Confident | 150 Ų | 150 | 70.1 Ų | 70.1 | 80% | 0.802 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -26.7 | -166 | -64.1 | -27.6 | 0 | 0 | 0 | 116.3 | ||
| 84 | N | 86.7 | Confident | 83.2 | Confident | 89 Ų | 89 | 73.6 Ų | 73.6 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.6 | -178.1 | -65.4 | -22.3 | 0 | 0 | 0 | 113.8 | P82 I93 K94 | P82-N84 PolarHBondContact O-N 3.17Å; N84-I93 CarbonylContact O-C 3.46Å; N84-I93 VanDerWaalsContact O-CA 3.32Å; N84-I93 WeakPolarHBondContact O-CA 3.14Å; N84-K94 PolarHBondContact O-N 3.32Å |
| 85 | Y | 87.2 | Confident | 83.2 | Confident | 69 Ų | 69 | 71 Ų | 71 | 27% | 0.271 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.6 | -176 | -66 | -93.4 | 0 | 0 | 0 | 111.9 | N63 C81 P82 F92 I93 | N63-Y85 HydrophobicContact CB-CD1 3.52Å; N63-Y85 HydrophobicContact CB-CD2 4.13Å; N63-Y85 HydrophobicContact CB-CE1 3.48Å; N63-Y85 VanDerWaalsContact CB-CE1 3.48Å; N63-Y85 HydrophobicContact CB-CE2 4.09Å; N63-Y85 HydrophobicContact CB-CG 3.83Å; N63-Y85 VanDerWaalsContact ND2-CD1 3.27Å; N63-Y85 WeakPolarHBondContact ND2-CD1 3.46Å; N63-Y85 WeakPolarHBondContact ND2-CE1 3.47Å; C81-Y85 WeakPolarHBondContact CB-O 3.27Å; P82-Y85 HydrophobicContact CG-CD2 3.87Å; P82-Y85 PolarHBondContact O-N 2.94Å; Y85-F92 CarbonylContact C-O 3.39Å; Y85-F92 WeakPolarHBondContact CA-O 3.32Å; Y85-I93 HydrophobicContact CD1-CG1 3.76Å; Y85-I93 HydrophobicContact CE1-CD1 4.04Å; Y85-I93 HydrophobicContact CE1-CG1 3.37Å |
| 86 | Y | 86.6 | Confident | 82.5 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 172.6 | 178.6 | 82.6 | -88.6 | 0 | 0 | 0 | 111.4 | C90 E91 F92 K94 E97 K119 | Y86-C90 CarbonylContact O-C 3.51Å; Y86-C90 WeakPolarHBondContact O-CA 3.06Å; Y86-E91 PolarHBondContact O-N 2.87Å; Y86-F92 HydrophobicContact CD1-CB 3.59Å; Y86-F92 HydrophobicContact CD2-CB 4.25Å; Y86-F92 HydrophobicContact CD2-CD2 4.13Å; Y86-F92 HydrophobicContact CE1-CB 3.26Å; Y86-F92 HydrophobicContact CE1-CG 4.17Å; Y86-F92 HydrophobicContact CE2-CB 3.94Å; Y86-F92 AromaticContact CE2-CD2 3.68Å; Y86-F92 HydrophobicContact CE2-CD2 3.68Å; Y86-F92 HydrophobicContact CE2-CG 4.09Å; Y86-F92 HydrophobicContact CG-CB 4.08Å; Y86-F92 VanDerWaalsContact CZ-CB 3.46Å; Y86-F92 AromaticContact CZ-CD2 3.92Å; Y86-F92 AromaticContact CZ-CG 3.85Å; Y86-F92 PolarHBondContact N-O 2.83Å; Y86-F92 PolarHBondContact O-N 2.79Å; Y86-K94 HydrophobicContact CD1-CB 4.37Å; Y86-E97 PolarHBondContact OH-OE2 3.34Å; Y86-K119 PolarHBondContact OH-NZ 3.18Å |
| 87 | G | 83.4 | Confident | 81.5 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 26% | 0.258 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 107.6 | 173.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A89 C90 | G87-A89 VanDerWaalsContact C-N 3.26Å; G87-A89 PolarHBondContact O-N 2.78Å; G87-C90 PolarHBondContact O-N 3.34Å |
| 88 | I | 82.1 | Confident | 80 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -36.7 | -174.3 | -58.9 | 171.3 | 0 | 0 | 0 | 111 | C79 | C79-I88 WeakPolarHBondContact CB-O 3.28Š|
| 89 | A | 84.2 | Confident | 78.3 | Confident | 13 Ų | 13 | 79.5 Ų | 79.5 | 11% | 0.107 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 17.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L62 G87 E91 | L62-A89 WeakPolarHBondContact CB-O 3.31Å; L62-A89 PolarHBondContact N-O 3.03Å; G87-A89 VanDerWaalsContact C-N 3.26Å; G87-A89 PolarHBondContact O-N 2.78Å; A89-E91 VanDerWaalsContact C-N 3.31Å; A89-E91 PolarHBondContact O-N 3.32Å |
| 90 | C | 86.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 43% | 0.43 | C | S | . | . | S | Bend | trans | 62 | 35.2 | -174.9 | -44.9 | 0 | 0 | 0 | 0 | 113.8 | N63 C81 Y86 G87 | N63-C90 PolarHBondContact ND2-O 2.59Å; C81-C90 WeakPolarHBondContact CA-SG 3.23Å; C81-C90 HydrophobicContact CB-CB 3.67Å; C81-C90 WeakPolarHBondContact CB-SG 3.18Å; C81-C90 WeakPolarHBondContact SG-CA 3.39Å; C81-C90 WeakPolarHBondContact SG-CB 3.16Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 2.9Å; Y86-C90 CarbonylContact O-C 3.51Å; Y86-C90 WeakPolarHBondContact O-CA 3.06Å; G87-C90 PolarHBondContact O-N 3.34Å |
| 91 | E | 82.5 | Confident | 74.1 | Confident | 90 Ų | 90 | 89.9 Ų | 89.9 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | trans | -77.8 | -28.8 | -173.3 | 63.5 | -147.7 | -166.8 | 0 | 0 | 114.2 | L62 Y86 A89 | L62-E91 HydrophobicContact CD1-CB 4.24Å; Y86-E91 PolarHBondContact O-N 2.87Å; A89-E91 VanDerWaalsContact C-N 3.31Å; A89-E91 PolarHBondContact O-N 3.32Å | ||
| 92 | F | 86.6 | Confident | 71.9 | Confident | 78 Ų | 78 | 94.5 Ų | 94.5 | 34% | 0.342 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 146.2 | -174.7 | -56.1 | -64.8 | 0 | 0 | 0 | 111.8 | Y85 Y86 | Y85-F92 CarbonylContact C-O 3.39Å; Y85-F92 WeakPolarHBondContact CA-O 3.32Å; Y86-F92 HydrophobicContact CD1-CB 3.59Å; Y86-F92 HydrophobicContact CD2-CB 4.25Å; Y86-F92 HydrophobicContact CD2-CD2 4.13Å; Y86-F92 HydrophobicContact CE1-CB 3.26Å; Y86-F92 HydrophobicContact CE1-CG 4.17Å; Y86-F92 HydrophobicContact CE2-CB 3.94Å; Y86-F92 AromaticContact CE2-CD2 3.68Å; Y86-F92 HydrophobicContact CE2-CD2 3.68Å; Y86-F92 HydrophobicContact CE2-CG 4.09Å; Y86-F92 HydrophobicContact CG-CB 4.08Å; Y86-F92 VanDerWaalsContact CZ-CB 3.46Å; Y86-F92 AromaticContact CZ-CD2 3.92Å; Y86-F92 AromaticContact CZ-CG 3.85Å; Y86-F92 PolarHBondContact N-O 2.83Å; Y86-F92 PolarHBondContact O-N 2.79Å |
| 93 | I | 86.8 | Confident | 69.5 | Low | 65 Ų | 65 | 98 Ų | 98 | 33% | 0.333 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 123.9 | 173.4 | -64 | 167.4 | 0 | 0 | 0 | 108.4 | N84 Y85 N95 N96 | N84-I93 CarbonylContact O-C 3.46Å; N84-I93 VanDerWaalsContact O-CA 3.32Å; N84-I93 WeakPolarHBondContact O-CA 3.14Å; Y85-I93 HydrophobicContact CD1-CG1 3.76Å; Y85-I93 HydrophobicContact CE1-CD1 4.04Å; Y85-I93 HydrophobicContact CE1-CG1 3.37Å; I93-N95 HydrophobicContact CG2-CB 4.32Å; I93-N95 PolarHBondContact O-N 2.51Å; I93-N96 PolarHBondContact O-N 2.96Å |
| 94 | K | 80.9 | Confident | 67.3 | Low | 145 Ų | 145 | 96.8 Ų | 96.8 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -59 | -31.4 | -177.7 | -167.1 | 177.7 | -179.9 | -176.6 | 0 | 113 | N84 Y86 | N84-K94 PolarHBondContact O-N 3.32Å; Y86-K94 HydrophobicContact CD1-CB 4.37Å |
| 95 | N | 69 | Low | 65 | Low | 114 Ų | 114 | 97.8 Ų | 97.8 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -85.8 | -5.3 | -173.5 | -62.4 | -1.8 | 0 | 0 | 0 | 114.6 | I93 | I93-N95 HydrophobicContact CG2-CB 4.32Å; I93-N95 PolarHBondContact O-N 2.51Å |
| 96 | N | 58.4 | Low | 62.8 | Low | 110 Ų | 110 | 100.8 Ų | 100.8 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -111 | 11.9 | -174.5 | -82.7 | 3.4 | 0 | 0 | 0 | 114.7 | I93 | I93-N96 PolarHBondContact O-N 2.96Š|
| 97 | E | 53.5 | Low | 60.9 | Low | 100 Ų | 100 | 104.9 Ų | 104.9 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | trans | -121.5 | 22.1 | -176.6 | -78 | -173.4 | -165.4 | 0 | 0 | 116 | Y86 | Y86-E97 PolarHBondContact OH-OE2 3.34Š| ||
| 98 | E | 48.2 | Very low | 59 | Low | 182 Ų | 182 | 110 Ų | 110 | 85% | 0.85 | 57% | 0.574 | S | S | * | * | trans | -94.5 | 54.9 | 142.2 | -73.5 | -177.5 | -172.8 | 0 | 0 | 108.5 | N100 | E98-N100 PolarHBondContact O-N 3.44Š| ||
| 99 | I | 46.2 | Very low | 57.3 | Low | 138 Ų | 138 | 111.7 Ų | 111.7 | 71% | 0.708 | 58% | 0.584 | S | S | * | * | trans | -68.8 | 94 | 150.3 | -61.7 | 172.1 | 0 | 0 | 0 | 103.4 | M101 | I99-M101 PolarHBondContact O-N 3.4Š| ||
| 100 | N | 41.4 | Very low | 55.5 | Low | 120 Ų | 120 | 119.3 Ų | 119.3 | 64% | 0.642 | 62% | 0.618 | S | S | * | * | trans | -39.2 | 104 | 165.2 | -86.2 | -39.2 | 0 | 0 | 0 | 108.2 | E98 D102 | E98-N100 PolarHBondContact O-N 3.44Å; N100-D102 HydrophobicContact CB-CB 4.28Å; N100-D102 PolarHBondContact O-N 3.43Å | ||
| 101 | M | 45.9 | Very low | 53.6 | Low | 170 Ų | 170 | 125.7 Ų | 125.7 | 84% | 0.837 | 65% | 0.651 | S | S | * | * | trans | -71.2 | 44.5 | 157.2 | -77.2 | -92.6 | -147 | 0 | 0 | 108.7 | I99 T103 | I99-M101 PolarHBondContact O-N 3.4Å; M101-T103 PolarHBondContact O-N 2.85Å | ||
| 102 | D | 40.3 | Very low | 51.9 | Low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 66% | 0.655 | S | S | * | * | trans | -87.2 | 75.7 | 159.6 | -83.5 | -16.7 | 0 | 0 | 0 | 105.8 | N100 | N100-D102 HydrophobicContact CB-CB 4.28Å; N100-D102 PolarHBondContact O-N 3.43Å | ||
| 103 | T | 38.3 | Very low | 49.9 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 177.5 | 127.4 | 143.7 | 24 | 0 | 0 | 0 | 0 | 111.3 | M101 | M101-T103 PolarHBondContact O-N 2.85Š|
| 104 | T | 39.5 | Very low | 47.8 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | trans | 86.6 | 77.1 | 156.3 | 16.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 105 | T | 37.5 | Very low | 46.1 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | 63.4 | 107.9 | 114.3 | -39.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 106 | N | 41.8 | Very low | 44.9 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 55.4 | 102.5 | 142 | -59.3 | -12.6 | 0 | 0 | 0 | 118.9 | ||
| 107 | N | 45.4 | Very low | 44 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 78% | 0.775 | 66% | 0.662 | S | S | * | * | S | Bend | 146.2 | 4.3 | 127.2 | -72.9 | -16.3 | 0 | 0 | 0 | 116.1 | |||
| 108 | N | 43.6 | Very low | 43.6 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | trans | -118 | 15.5 | -175.4 | -68.6 | -22.7 | 0 | 0 | 0 | 115.7 | Q110 L111 | N108-Q110 PolarHBondContact O-N 3.3Å; N108-L111 PolarHBondContact O-N 3.2Å | ||
| 109 | D | 47.2 | Very low | 43.5 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 68% | 0.679 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.5 | -11.1 | -173.6 | -63.1 | -35.8 | 0 | 0 | 0 | 115.4 | L111 S113 | D109-L111 VanDerWaalsContact C-N 3.33Å; D109-S113 PolarHBondContact O-OG 3.35Å |
| 110 | Q | 46.5 | Very low | 43.4 | Very low | 174 Ų | 174 | 117.4 Ų | 117.4 | 81% | 0.813 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.4 | -26.2 | 173 | -75.7 | -172 | -10.3 | 0 | 0 | 113.3 | N108 | N108-Q110 PolarHBondContact O-N 3.3Å |
| 111 | L | 47.1 | Very low | 43.3 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 70% | 0.696 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.9 | -35.5 | -178 | -118.7 | 144.6 | 0 | 0 | 0 | 112 | N108 D109 N114 M115 | N108-L111 PolarHBondContact O-N 3.2Å; D109-L111 VanDerWaalsContact C-N 3.33Å; L111-N114 PolarHBondContact O-N 3.04Å; L111-M115 PolarHBondContact O-N 3.45Å |
| 112 | L | 45.5 | Very low | 43.3 | Very low | 96 Ų | 96 | 112.7 Ų | 112.7 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.2 | -34.7 | -177.8 | -144 | 73.5 | 0 | 0 | 0 | 112.4 | N114 M115 N116 | L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.47Å; L112-M115 PolarHBondContact O-N 3.15Å; L112-M115 VanDerWaalsContact O-N 3.15Å; L112-N116 PolarHBondContact O-N 3.19Å; L112-N116 VanDerWaalsContact O-N 3.11Å |
| 113 | S | 44.8 | Very low | 43.5 | Very low | 68 Ų | 68 | 111 Ų | 111 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.2 | -38.4 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | D109 N116 N117 | D109-S113 PolarHBondContact O-OG 3.35Å; S113-N116 PolarHBondContact O-N 3.21Å; S113-N117 PolarHBondContact O-N 3.11Å |
| 114 | N | 42 | Very low | 43.6 | Very low | 107 Ų | 107 | 108.1 Ų | 108.1 | 57% | 0.572 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.2 | -32.7 | 176.1 | -82.3 | -20.8 | 0 | 0 | 0 | 113.1 | L111 L112 N117 L118 | L111-N114 PolarHBondContact O-N 3.04Å; L112-N114 VanDerWaalsContact C-N 3.27Å; L112-N114 PolarHBondContact O-N 3.47Å; N114-N117 PolarHBondContact O-N 2.94Å; N114-L118 WeakPolarHBondContact O-CG 3.49Å; N114-L118 PolarHBondContact O-N 2.82Å |
| 115 | M | 46 | Very low | 43.8 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 59% | 0.586 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.8 | -38.3 | 173.8 | -102.7 | 175.7 | 75.9 | 0 | 0 | 112.2 | L111 L112 N117 L118 K119 | L111-M115 PolarHBondContact O-N 3.45Å; L112-M115 PolarHBondContact O-N 3.15Å; L112-M115 VanDerWaalsContact O-N 3.15Å; M115-N117 VanDerWaalsContact C-N 3.32Å; M115-N117 PolarHBondContact O-N 3.07Å; M115-L118 PolarHBondContact O-N 3.12Å; M115-K119 WeakPolarHBondContact O-CB 3.43Å; M115-K119 PolarHBondContact O-N 2.97Å |
| 116 | N | 44.7 | Very low | 44 | Very low | 93 Ų | 93 | 110.6 Ų | 110.6 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.5 | -32.8 | 177.1 | -71.4 | -21.2 | 0 | 0 | 0 | 112.5 | L112 S113 K119 S120 | L112-N116 PolarHBondContact O-N 3.19Å; L112-N116 VanDerWaalsContact O-N 3.11Å; S113-N116 PolarHBondContact O-N 3.21Å; N116-K119 WeakPolarHBondContact O-CB 3.41Å; N116-K119 PolarHBondContact O-N 3.23Å; N116-S120 PolarHBondContact O-N 3.29Å; N116-S120 VanDerWaalsContact O-N 3.17Å; N116-S120 PolarHBondContact O-OG 3.17Å |
| 117 | N | 39.8 | Very low | 43.9 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.4 | -30 | 172.5 | -74.7 | -24.9 | 0 | 0 | 0 | 112.9 | S113 N114 M115 S120 N121 | S113-N117 PolarHBondContact O-N 3.11Å; N114-N117 PolarHBondContact O-N 2.94Å; M115-N117 VanDerWaalsContact C-N 3.32Å; M115-N117 PolarHBondContact O-N 3.07Å; N117-S120 PolarHBondContact O-OG 3.27Å; N117-N121 WeakPolarHBondContact O-CB 3.41Å; N117-N121 VanDerWaalsContact O-CG 3.29Å; N117-N121 PolarHBondContact O-N 2.94Å; N117-N121 PolarHBondContact O-ND2 3.17Å |
| 118 | L | 44.5 | Very low | 43.4 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 64% | 0.644 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.6 | -35.8 | 168.4 | -73.5 | 159.4 | 0 | 0 | 0 | 111.7 | N114 M115 S120 N121 S122 | N114-L118 WeakPolarHBondContact O-CG 3.49Å; N114-L118 PolarHBondContact O-N 2.82Å; M115-L118 PolarHBondContact O-N 3.12Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3.42Å; L118-N121 PolarHBondContact O-N 3.19Å; L118-S122 PolarHBondContact O-N 3.34Å; L118-S122 PolarHBondContact O-OG 2.83Å |
| 119 | K | 44.8 | Very low | 42.7 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 44% | 0.435 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.6 | -32.8 | 178.5 | -161.1 | 170.1 | -170.2 | 169.7 | 0 | 112 | Y86 M115 N116 | Y86-K119 PolarHBondContact OH-NZ 3.18Å; M115-K119 WeakPolarHBondContact O-CB 3.43Å; M115-K119 PolarHBondContact O-N 2.97Å; N116-K119 WeakPolarHBondContact O-CB 3.41Å; N116-K119 PolarHBondContact O-N 3.23Å |
| 120 | S | 44 | Very low | 42.1 | Very low | 46 Ų | 46 | 112.6 Ų | 112.6 | 32% | 0.322 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -89.5 | -25.7 | 179.1 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | N116 N117 L118 | N116-S120 PolarHBondContact O-N 3.29Å; N116-S120 VanDerWaalsContact O-N 3.17Å; N116-S120 PolarHBondContact O-OG 3.17Å; N117-S120 PolarHBondContact O-OG 3.27Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3.42Å |
| 121 | N | 41.1 | Very low | 41.6 | Very low | 137 Ų | 137 | 109 Ų | 109 | 73% | 0.733 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -87 | -9.4 | -177.7 | -72.4 | -16.3 | 0 | 0 | 0 | 115 | N117 L118 | N117-N121 WeakPolarHBondContact O-CB 3.41Å; N117-N121 VanDerWaalsContact O-CG 3.29Å; N117-N121 PolarHBondContact O-N 2.94Å; N117-N121 PolarHBondContact O-ND2 3.17Å; L118-N121 PolarHBondContact O-N 3.19Å |
| 122 | S | 46 | Very low | 40.9 | Very low | 53 Ų | 53 | 107.2 Ų | 107.2 | 37% | 0.371 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -91.9 | -17.9 | -179.6 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | L118 | L118-S122 PolarHBondContact O-N 3.34Å; L118-S122 PolarHBondContact O-OG 2.83Å |
| 123 | L | 44.1 | Very low | 40.2 | Very low | 91 Ų | 91 | 106.8 Ų | 106.8 | 48% | 0.476 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -88.3 | 127.2 | 175.8 | -76.6 | 123.8 | 0 | 0 | 0 | 110.2 | Y125 | L123-Y125 PolarHBondContact O-N 3.11Š|
| 124 | P | 39.2 | Very low | 39.5 | Very low | 62 Ų | 62 | 109.1 Ų | 109.1 | 40% | 0.403 | 58% | 0.584 | S | S | . | * | trans | -56.6 | 136 | 168.2 | 22.3 | -29.5 | 0 | 0 | 0 | 109.3 | S126 Y127 | P124-S126 PolarHBondContact O-N 3.46Å; P124-Y127 PolarHBondContact O-N 3.24Å | ||
| 125 | Y | 44 | Very low | 38.7 | Very low | 205 Ų | 205 | 108.3 Ų | 108.3 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -46.5 | -25.6 | -175.2 | -164.7 | -91.5 | 0 | 0 | 0 | 114.1 | L123 Y127 R128 | L123-Y125 PolarHBondContact O-N 3.11Å; Y125-Y127 PolarHBondContact O-N 3.14Å; Y125-R128 PolarHBondContact O-N 3.37Å |
| 126 | S | 41 | Very low | 37.8 | Very low | 83 Ų | 83 | 108 Ų | 108 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -55.7 | -26.7 | 174.5 | 37.2 | 0 | 0 | 0 | 0 | 114.5 | P124 | P124-S126 PolarHBondContact O-N 3.46Š|
| 127 | Y | 40.2 | Very low | 36.8 | Very low | 126 Ų | 126 | 108.8 Ų | 108.8 | 49% | 0.494 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -92.1 | -10.7 | 179.9 | -129.1 | -94.9 | 0 | 0 | 0 | 114.9 | P124 Y125 R129 A130 | P124-Y127 PolarHBondContact O-N 3.24Å; Y125-Y127 PolarHBondContact O-N 3.14Å; Y127-R129 PolarHBondContact O-N 3.29Å; Y127-R129 VanDerWaalsContact O-N 3.11Å; Y127-A130 HydrophobicContact CD1-CB 4.05Å; Y127-A130 HydrophobicContact CE1-CB 3.91Å; Y127-A130 HydrophobicContact CG-CB 4.5Å; Y127-A130 PolarHBondContact O-N 3.29Å |
| 128 | R | 35.2 | Very low | 36 | Very low | 185 Ų | 185 | 108.7 Ų | 108.7 | 70% | 0.698 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -18.2 | 174.4 | -131.6 | -176.3 | -154.5 | -153.3 | 6.9 | 112.4 | Y125 | Y125-R128 PolarHBondContact O-N 3.37Š|
| 129 | R | 29.9 | Very low | 35 | Very low | 216 Ų | 216 | 107.5 Ų | 107.5 | 82% | 0.815 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -17.8 | 178.4 | -111.9 | -178.9 | -172.3 | -178.9 | 2.7 | 115.2 | Y127 S133 | Y127-R129 PolarHBondContact O-N 3.29Å; Y127-R129 VanDerWaalsContact O-N 3.11Å; R129-S133 PolarHBondContact O-OG 2.89Å |
| 130 | A | 34.2 | Very low | 34 | Very low | 50 Ų | 50 | 107.7 Ų | 107.7 | 41% | 0.413 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -81.8 | -23.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y127 S132 | Y127-A130 HydrophobicContact CD1-CB 4.05Å; Y127-A130 HydrophobicContact CE1-CB 3.91Å; Y127-A130 HydrophobicContact CG-CB 4.5Å; Y127-A130 PolarHBondContact O-N 3.29Å; A130-S132 PolarHBondContact O-N 3.25Å |
| 131 | A | 35.5 | Very low | 33.2 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -73.3 | -6.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 132 | S | 33.5 | Very low | 32.5 | Very low | 95 Ų | 95 | 108.5 Ų | 108.5 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -128.8 | 11 | -177.9 | 59 | 0 | 0 | 0 | 0 | 115.8 | A130 | A130-S132 PolarHBondContact O-N 3.25Š|
| 133 | S | 29.9 | Very low | 31.6 | Very low | 88 Ų | 88 | 110.5 Ų | 110.5 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | trans | -108.8 | 57.9 | -179.1 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | R129 S135 | R129-S133 PolarHBondContact O-OG 2.89Å; S133-S135 VanDerWaalsContact C-N 3.29Å; S133-S135 PolarHBondContact O-N 2.9Å | ||
| 134 | S | 29.8 | Very low | 30.8 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | -83.3 | 71.1 | 146.9 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 135 | S | 26.5 | Very low | 30.4 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 174.5 | 114.1 | 159.6 | 48 | 0 | 0 | 0 | 0 | 112.1 | S133 | S133-S135 VanDerWaalsContact C-N 3.29Å; S133-S135 PolarHBondContact O-N 2.9Å |
| 136 | S | 25.5 | Very low | 29.7 | Very low | 111 Ų | 111 | 113 Ų | 113 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | 40.8 | 117.5 | 143.3 | 50.7 | 0 | 0 | 0 | 0 | 119.9 | A138 | S136-A138 PolarHBondContact O-N 3.36Š| ||
| 137 | A | 23.2 | Very low | 29.2 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -52.6 | 99.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 138 | A | 23.3 | Very low | 28.7 | Very low | 95 Ų | 95 | 116.3 Ų | 116.3 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 175.7 | 97 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S136 | S136-A138 PolarHBondContact O-N 3.36Š| ||
| 139 | A | 24.3 | Very low | 28.7 | Very low | 98 Ų | 98 | 115 Ų | 115 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | 174.3 | 78.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 140 | A | 24.3 | Very low | 28.6 | Very low | 103 Ų | 103 | 111.1 Ų | 111.1 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -66.7 | 134.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||
| 141 | A | 26.5 | Very low | 28.5 | Very low | 104 Ų | 104 | 117.1 Ų | 117.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 73.5 | 80.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 142 | A | 25.7 | Very low | 28.4 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -179.8 | 137.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 143 | S | 28.2 | Very low | 28.3 | Very low | 94 Ų | 94 | 119 Ų | 119 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | cis | -161.1 | 136 | 10.9 | 44.3 | 0 | 0 | 0 | 0 | 106.4 | I145 | S143-I145 PolarHBondContact O-N 3.01Å; S143-I145 VanDerWaalsContact O-N 3.12Å | ||
| 144 | F | 26.6 | Very low | 28.3 | Very low | 199 Ų | 199 | 121.4 Ų | 121.4 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | trans | -46.8 | 107.5 | 161.3 | -146.1 | -99.9 | 0 | 0 | 0 | 109.7 | A146 | F144-A146 HydrophobicContact CD1-CB 4.31Å; F144-A146 HydrophobicContact CE1-CB 4.2Å | ||
| 145 | I | 30.9 | Very low | 28.7 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -121.2 | 86.4 | 159 | -59.9 | -177.9 | 0 | 0 | 0 | 105.8 | S143 H147 | S143-I145 PolarHBondContact O-N 3.01Å; S143-I145 VanDerWaalsContact O-N 3.12Å; I145-H147 PolarHBondContact O-N 2.99Å | ||
| 146 | A | 28.9 | Very low | 29.1 | Very low | 71 Ų | 71 | 124.8 Ų | 124.8 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | trans | -63.1 | 106.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | F144 | F144-A146 HydrophobicContact CD1-CB 4.31Å; F144-A146 HydrophobicContact CE1-CB 4.2Å | ||
| 147 | H | 31.5 | Very low | 29.8 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -108.3 | 102.4 | 160.9 | -152.1 | -65 | 0 | 0 | 0 | 107.3 | I145 N149 | I145-H147 PolarHBondContact O-N 2.99Å; H147-N149 PolarHBondContact O-N 3.36Å | ||
| 148 | N | 29.8 | Very low | 30.4 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | trans | -51 | 131.1 | 170.3 | -67 | -34.9 | 0 | 0 | 0 | 109.5 | ||||
| 149 | N | 33.8 | Very low | 31 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -150 | 88.7 | 137.8 | -90.1 | -26.3 | 0 | 0 | 0 | 105.8 | H147 Q151 | H147-N149 PolarHBondContact O-N 3.36Å; N149-Q151 PolarHBondContact O-N 3.21Å | ||
| 150 | D | 29.8 | Very low | 31.9 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -59.4 | 110.4 | 163.9 | -69.2 | -62.3 | 0 | 0 | 0 | 109.1 | ||||
| 151 | Q | 30.6 | Very low | 32.6 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 169.4 | 98.4 | 151.3 | -99.2 | 156.8 | 2.9 | 0 | 0 | 106.5 | N149 | N149-Q151 PolarHBondContact O-N 3.21Š| ||
| 152 | D | 33.9 | Very low | 33.2 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | trans | 172.2 | 143.5 | 134 | -88.3 | -27 | 0 | 0 | 0 | 111.4 | ||||
| 153 | G | 30.7 | Very low | 33.8 | Very low | 64 Ų | 64 | 144.5 Ų | 144.5 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | 88 | 79.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D155 | G153-D155 PolarHBondContact O-N 3.29Š| ||
| 154 | N | 30.9 | Very low | 34.2 | Very low | 137 Ų | 137 | 153.1 Ų | 153.1 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -60.8 | 84.1 | 153 | 171.5 | 40 | 0 | 0 | 0 | 110.1 | N156 | N154-N156 PolarHBondContact OD1-ND2 2.93Š| ||
| 155 | D | 38.9 | Very low | 34.6 | Very low | 138 Ų | 138 | 150.9 Ų | 150.9 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | -117.8 | 109 | 166.4 | -81.1 | -33.1 | 0 | 0 | 0 | 109.9 | G153 D157 | G153-D155 PolarHBondContact O-N 3.29Å; D155-D157 PolarHBondContact O-N 3.28Å | ||
| 156 | N | 34.4 | Very low | 34.8 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 45.4 | -177.5 | -75.3 | -66.9 | 0 | 0 | 0 | 113.2 | N154 Q158 | N154-N156 PolarHBondContact OD1-ND2 2.93Å; N156-Q158 PolarHBondContact O-N 3.41Å | ||
| 157 | D | 39.7 | Very low | 35.1 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | trans | -91.5 | 94.7 | 179.7 | -82.7 | -39.2 | 0 | 0 | 0 | 112.4 | D155 | D155-D157 PolarHBondContact O-N 3.28Š| ||
| 158 | Q | 35.2 | Very low | 35.3 | Very low | 160 Ų | 160 | 155.4 Ų | 155.4 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 66.4 | 64.9 | 135 | -57.8 | 169.1 | 30.6 | 0 | 0 | 115.1 | N156 M160 | N156-Q158 PolarHBondContact O-N 3.41Å; Q158-M160 PolarHBondContact O-N 2.98Å | ||
| 159 | Q | 36.8 | Very low | 35.7 | Very low | 195 Ų | 195 | 157.9 Ų | 157.9 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -62.1 | 104.3 | 156.7 | -77.8 | -177.3 | 0.9 | 0 | 0 | 109.2 | I161 | Q159-I161 PolarHBondContact O-N 3.31Š| ||
| 160 | M | 42 | Very low | 35.8 | Very low | 167 Ų | 167 | 158 Ų | 158 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -60.5 | 121.9 | 172.9 | -65.4 | -166.7 | -76.3 | 0 | 0 | 109.4 | Q158 F162 | Q158-M160 PolarHBondContact O-N 2.98Å; M160-F162 PolarHBondContact O-N 3.12Å | ||
| 161 | I | 40.9 | Very low | 36.2 | Very low | 152 Ų | 152 | 159.6 Ų | 159.6 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -65.2 | 116.1 | 176 | -62.5 | 167.8 | 0 | 0 | 0 | 108.1 | Q159 V163 | Q159-I161 PolarHBondContact O-N 3.31Å; I161-V163 HydrophobicContact CG2-CG2 4.29Å; I161-V163 PolarHBondContact O-N 3.45Å; I161-V163 VanDerWaalsContact O-N 3.12Å | ||
| 162 | F | 38.7 | Very low | 36.7 | Very low | 203 Ų | 203 | 158.4 Ų | 158.4 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -66 | 107.1 | 166.5 | -70.6 | -89.7 | 0 | 0 | 0 | 108.5 | M160 K164 | M160-F162 PolarHBondContact O-N 3.12Å; F162-K164 PolarHBondContact O-N 3.23Å | ||
| 163 | V | 38.1 | Very low | 36.9 | Very low | 130 Ų | 130 | 157.3 Ų | 157.3 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -87.7 | 102.1 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | I161 | I161-V163 HydrophobicContact CG2-CG2 4.29Å; I161-V163 PolarHBondContact O-N 3.45Å; I161-V163 VanDerWaalsContact O-N 3.12Å | ||
| 164 | K | 36.3 | Very low | 37.4 | Very low | 276 Ų | 276 | 165.8 Ų | 165.8 | 100% | 1.2 | 82% | 0.821 | S | S | * | * | trans | 63.6 | 0 | 167.5 | -95.2 | 179.3 | 173.9 | 176.2 | 0 | 118.7 | F162 | F162-K164 PolarHBondContact O-N 3.23Š|
Retrieved 164 of 164 residues in 38.5 ms
(Link to these results)