| 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 | 44.6 | Very low | 63 | Low | 244 Ų | 244 | 138.9 Ų | 138.9 | 100% | 1.202 | 81% | 0.806 | S | S | * | * | 0 | 88.4 | 0 | -69.1 | 173.5 | 172.1 | 0 | 0 | 107.9 | S3 | M1-S3 PolarHBondContact O-N 3.13Š| |||
| 2 | T | 60.2 | Low | 64.5 | Low | 144 Ų | 144 | 135.8 Ų | 135.8 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -92.1 | 97.7 | 174.6 | 45.1 | 0 | 0 | 0 | 0 | 107.4 | S4 | T2-S4 PolarHBondContact O-N 2.98Š| ||
| 3 | S | 58.5 | Low | 66.4 | Low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -56.8 | 109.9 | 171 | 49.9 | 0 | 0 | 0 | 0 | 108.5 | M1 S5 | M1-S3 PolarHBondContact O-N 3.13Å; S3-S5 PolarHBondContact O-N 2.66Å | ||
| 4 | S | 62.4 | Low | 68.2 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -60.8 | 105.9 | 168.6 | 51.6 | 0 | 0 | 0 | 0 | 107.7 | T2 | T2-S4 PolarHBondContact O-N 2.98Š| ||
| 5 | S | 64.7 | Low | 69.8 | Low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -55.9 | 126.7 | 167 | -50.7 | 0 | 0 | 0 | 0 | 107.1 | S3 E7 | S3-S5 PolarHBondContact O-N 2.66Å; S5-E7 PolarHBondContact O-N 3Å | ||
| 6 | P | 61.3 | Low | 71.3 | Confident | 114 Ų | 114 | 127.4 Ų | 127.4 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | trans | -59.8 | 118 | 178.1 | 23.6 | -31 | 0 | 0 | 0 | 107.4 | T8 | P6-T8 PolarHBondContact O-N 3.33Š| ||
| 7 | E | 63.2 | Low | 72.7 | Confident | 189 Ų | 189 | 123.9 Ų | 123.9 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | trans | -56.5 | 98.4 | 166.6 | -68.5 | -178.2 | 177.1 | 0 | 0 | 105.7 | S5 S9 | S5-E7 PolarHBondContact O-N 3Å; E7-S9 PolarHBondContact O-N 3.31Å | ||
| 8 | T | 59.8 | Low | 73.9 | Confident | 117 Ų | 117 | 123.3 Ų | 123.3 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -63.1 | 100.5 | 168.6 | 38.6 | 0 | 0 | 0 | 0 | 103.9 | P6 V10 | P6-T8 PolarHBondContact O-N 3.33Å; T8-V10 PolarHBondContact O-N 3.39Å | ||
| 9 | S | 64.9 | Low | 75.1 | Confident | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | trans | -59.7 | 87.4 | 165 | 59.8 | 0 | 0 | 0 | 0 | 105.2 | E7 K11 | E7-S9 PolarHBondContact O-N 3.31Å; S9-K11 VanDerWaalsContact C-N 3.28Å; S9-K11 PolarHBondContact O-N 2.88Å | ||
| 10 | V | 74.6 | Confident | 76.2 | Confident | 111 Ų | 111 | 121.2 Ų | 121.2 | 67% | 0.673 | 68% | 0.675 | S | S | * | * | trans | -60.4 | 104.3 | 172.7 | 177.5 | 0 | 0 | 0 | 0 | 103.4 | T8 I12 | T8-V10 PolarHBondContact O-N 3.39Å; V10-I12 PolarHBondContact O-N 3.43Å | ||
| 11 | K | 78.6 | Confident | 77.2 | Confident | 186 Ų | 186 | 122 Ų | 122 | 81% | 0.809 | 67% | 0.672 | S | S | * | * | trans | -64.3 | 96.8 | 173 | -67.8 | -178.5 | -179.9 | 178.7 | 0 | 104.5 | S9 D13 | S9-K11 VanDerWaalsContact C-N 3.28Å; S9-K11 PolarHBondContact O-N 2.88Å; K11-D13 PolarHBondContact O-N 2.91Å | ||
| 12 | I | 81.9 | Confident | 79.7 | Confident | 101 Ų | 101 | 116.6 Ų | 116.6 | 52% | 0.518 | 64% | 0.642 | S | S | . | * | trans | -65.8 | 121.7 | 175.2 | -62.2 | 166.4 | 0 | 0 | 0 | 105.4 | V10 V16 L17 | V10-I12 PolarHBondContact O-N 3.43Å; I12-V16 HydrophobicContact CG2-CB 4.27Å; I12-V16 HydrophobicContact CG2-CG1 4.25Å; I12-L17 HydrophobicContact CG2-CB 4.32Å | ||
| 13 | D | 88.6 | Confident | 81.5 | Confident | 105 Ų | 105 | 114 Ų | 114 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | trans | -55 | 135.7 | 178.5 | -65.9 | -38.3 | 0 | 0 | 0 | 109.8 | K11 E15 V16 L17 | K11-D13 PolarHBondContact O-N 2.91Å; D13-E15 PolarHBondContact O-N 2.83Å; D13-E15 VanDerWaalsContact O-N 3.17Å; D13-V16 HydrophobicContact CB-CB 4.43Å; D13-V16 HydrophobicContact CB-CG2 4.02Å; D13-V16 WeakPolarHBondContact O-CB 3.42Å; D13-V16 PolarHBondContact O-N 3.39Å; D13-L17 PolarHBondContact O-N 3.1Å | ||
| 14 | P | 91.7 | Very high | 83.4 | Confident | 95 Ų | 95 | 116.1 Ų | 116.1 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -57.9 | -34.3 | -177.2 | 23 | -33.3 | 0 | 0 | 0 | 111.8 | L17 E18 | P14-L17 PolarHBondContact O-N 3.46Å; P14-E18 WeakPolarHBondContact O-CG 3.38Å; P14-E18 PolarHBondContact O-N 2.97Å |
| 15 | E | 92.6 | Very high | 85.1 | Confident | 148 Ų | 148 | 117.4 Ų | 117.4 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.5 | -42.9 | 176.3 | -60.1 | -173.3 | 168.2 | 0 | 0 | 112.3 | D13 L17 E18 I19 | D13-E15 PolarHBondContact O-N 2.83Å; D13-E15 VanDerWaalsContact O-N 3.17Å; E15-L17 VanDerWaalsContact C-N 3.32Å; E15-L17 PolarHBondContact O-N 3.19Å; E15-E18 PolarHBondContact O-N 3.5Å; E15-I19 VanDerWaalsContact O-CG1 3.27Å; E15-I19 WeakPolarHBondContact O-CG1 3.3Å; E15-I19 PolarHBondContact O-N 3.33Å |
| 16 | V | 94.1 | Very high | 86.7 | Confident | 62 Ų | 62 | 117.8 Ų | 117.8 | 38% | 0.376 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64 | -41.3 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | I12 D13 I19 Q20 | I12-V16 HydrophobicContact CG2-CB 4.27Å; I12-V16 HydrophobicContact CG2-CG1 4.25Å; D13-V16 HydrophobicContact CB-CB 4.43Å; D13-V16 HydrophobicContact CB-CG2 4.02Å; D13-V16 WeakPolarHBondContact O-CB 3.42Å; D13-V16 PolarHBondContact O-N 3.39Å; V16-I19 PolarHBondContact O-N 3.1Å; V16-Q20 WeakPolarHBondContact O-CG 3.42Å; V16-Q20 PolarHBondContact O-N 3.32Å |
| 17 | L | 94.2 | Very high | 88.4 | Confident | 67 Ų | 67 | 117.1 Ų | 117.1 | 35% | 0.351 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.1 | -38.9 | 177.4 | -175.6 | 150.1 | 0 | 0 | 0 | 112 | I12 D13 P14 E15 Q20 K21 | I12-L17 HydrophobicContact CG2-CB 4.32Å; D13-L17 PolarHBondContact O-N 3.1Å; P14-L17 PolarHBondContact O-N 3.46Å; E15-L17 VanDerWaalsContact C-N 3.32Å; E15-L17 PolarHBondContact O-N 3.19Å; L17-Q20 PolarHBondContact O-N 3.34Å; L17-K21 HydrophobicContact CD2-CD 3.81Å; L17-K21 HydrophobicContact CD2-CG 4.44Å; L17-K21 VanDerWaalsContact CD2-NZ 3.28Å; L17-K21 WeakPolarHBondContact O-CG 3.5Å; L17-K21 PolarHBondContact O-N 3.29Å |
| 18 | E | 95.1 | Very high | 89.9 | Confident | 113 Ų | 113 | 111.7 Ų | 111.7 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.6 | -42.6 | 173 | -74.2 | -173.6 | -175 | 0 | 0 | 112.7 | P14 E15 K21 K22 | P14-E18 WeakPolarHBondContact O-CG 3.38Å; P14-E18 PolarHBondContact O-N 2.97Å; E15-E18 PolarHBondContact O-N 3.5Å; E18-K21 PolarHBondContact O-N 2.91Å; E18-K22 WeakPolarHBondContact O-CG 3.49Å; E18-K22 PolarHBondContact O-N 3.26Å |
| 19 | I | 96.7 | Very high | 91.7 | Very high | 94 Ų | 94 | 111.6 Ų | 111.6 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.1 | -46.5 | 176.1 | -69.5 | 164.9 | 0 | 0 | 0 | 110.2 | E15 V16 K21 K22 I23 | E15-I19 VanDerWaalsContact O-CG1 3.27Å; E15-I19 WeakPolarHBondContact O-CG1 3.3Å; E15-I19 PolarHBondContact O-N 3.33Å; V16-I19 PolarHBondContact O-N 3.1Å; I19-K21 PolarHBondContact O-N 2.99Å; I19-K22 PolarHBondContact O-N 2.95Å; I19-I23 HydrophobicContact CG2-CD1 3.7Å; I19-I23 HydrophobicContact CG2-CG1 4.4Å; I19-I23 WeakPolarHBondContact O-CG1 3.31Å; I19-I23 PolarHBondContact O-N 3.25Å |
| 20 | Q | 96.3 | Very high | 93.1 | Very high | 111 Ų | 111 | 113.5 Ų | 113.5 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.3 | -44.2 | 176.2 | -74 | 177.6 | -1.2 | 0 | 0 | 112.1 | V16 L17 K22 I23 Y24 | V16-Q20 WeakPolarHBondContact O-CG 3.42Å; V16-Q20 PolarHBondContact O-N 3.32Å; L17-Q20 PolarHBondContact O-N 3.34Å; Q20-K22 PolarHBondContact O-N 3.39Å; Q20-I23 PolarHBondContact O-N 3.37Å; Q20-Y24 VanDerWaalsContact O-CB 3.27Å; Q20-Y24 WeakPolarHBondContact O-CB 3.37Å; Q20-Y24 PolarHBondContact O-N 3.25Å |
| 21 | K | 97.2 | Very high | 94.1 | Very high | 139 Ų | 139 | 112.3 Ų | 112.3 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -42.6 | 175.2 | -76.9 | 176.1 | 177.5 | 171.6 | 0 | 112.3 | L17 E18 I19 K25 | L17-K21 HydrophobicContact CD2-CD 3.81Å; L17-K21 HydrophobicContact CD2-CG 4.44Å; L17-K21 VanDerWaalsContact CD2-NZ 3.28Å; L17-K21 WeakPolarHBondContact O-CG 3.5Å; L17-K21 PolarHBondContact O-N 3.29Å; E18-K21 PolarHBondContact O-N 2.91Å; I19-K21 PolarHBondContact O-N 2.99Å; K21-K25 WeakPolarHBondContact O-CB 3.46Å; K21-K25 PolarHBondContact O-N 3.5Å |
| 22 | K | 97.5 | Very high | 94.8 | Very high | 130 Ų | 130 | 106.2 Ų | 106.2 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.6 | -50.5 | 177 | -74.8 | 178 | -175.2 | 170.9 | 0 | 111.2 | E18 I19 Q20 Y24 K25 E26 | E18-K22 WeakPolarHBondContact O-CG 3.49Å; E18-K22 PolarHBondContact O-N 3.26Å; I19-K22 PolarHBondContact O-N 2.95Å; Q20-K22 PolarHBondContact O-N 3.39Å; K22-Y24 VanDerWaalsContact C-N 3.34Å; K22-Y24 PolarHBondContact O-N 2.87Å; K22-K25 PolarHBondContact O-N 2.98Å; K22-E26 WeakPolarHBondContact O-CG 3.26Å; K22-E26 PolarHBondContact O-N 3.21Å |
| 23 | I | 98.1 | Very high | 95.4 | Very high | 90 Ų | 90 | 104 Ų | 104 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 178.2 | -67.4 | 168.3 | 0 | 0 | 0 | 110.7 | I19 Q20 K25 E26 L27 | I19-I23 HydrophobicContact CG2-CD1 3.7Å; I19-I23 HydrophobicContact CG2-CG1 4.4Å; I19-I23 WeakPolarHBondContact O-CG1 3.31Å; I19-I23 PolarHBondContact O-N 3.25Å; Q20-I23 PolarHBondContact O-N 3.37Å; I23-K25 PolarHBondContact O-N 3.13Å; I23-E26 PolarHBondContact O-N 3.04Å; I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.47Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 2.94Å |
| 24 | Y | 98 | Very high | 95.6 | Very high | 152 Ų | 152 | 102.7 Ų | 102.7 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -43.1 | 178.8 | -176.1 | -107.4 | 0 | 0 | 0 | 112.1 | Q20 K22 E26 L27 L28 | Q20-Y24 VanDerWaalsContact O-CB 3.27Å; Q20-Y24 WeakPolarHBondContact O-CB 3.37Å; Q20-Y24 PolarHBondContact O-N 3.25Å; K22-Y24 VanDerWaalsContact C-N 3.34Å; K22-Y24 PolarHBondContact O-N 2.87Å; Y24-E26 PolarHBondContact O-N 3.4Å; Y24-L27 PolarHBondContact O-N 2.97Å; Y24-L28 HydrophobicContact CD1-CD1 3.88Å; Y24-L28 HydrophobicContact CD1-CG 4.36Å; Y24-L28 HydrophobicContact CE1-CD1 3.41Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.41Å; Y24-L28 HydrophobicContact CE1-CG 4.01Å; Y24-L28 WeakPolarHBondContact O-CG 3.47Å; Y24-L28 PolarHBondContact O-N 2.67Å |
| 25 | K | 97.9 | Very high | 95.6 | Very high | 141 Ų | 141 | 100.6 Ų | 100.6 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 174.8 | -178.2 | 178.4 | 178.6 | -179 | 0 | 111.9 | K21 K22 I23 L28 L29 | K21-K25 WeakPolarHBondContact O-CB 3.46Å; K21-K25 PolarHBondContact O-N 3.5Å; K22-K25 PolarHBondContact O-N 2.98Å; I23-K25 PolarHBondContact O-N 3.13Å; K25-L28 PolarHBondContact O-N 3.16Å; K25-L29 HydrophobicContact CG-CD1 4.39Å; K25-L29 WeakPolarHBondContact O-CG 3.39Å; K25-L29 PolarHBondContact O-N 3.18Å |
| 26 | E | 97.8 | Very high | 95.5 | Very high | 111 Ų | 111 | 104.4 Ų | 104.4 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 176.1 | -73.6 | -179.6 | -173.3 | 0 | 0 | 112.4 | K22 I23 Y24 L28 L29 K30 | K22-E26 WeakPolarHBondContact O-CG 3.26Å; K22-E26 PolarHBondContact O-N 3.21Å; I23-E26 PolarHBondContact O-N 3.04Å; Y24-E26 PolarHBondContact O-N 3.4Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 2.73Å; E26-L29 PolarHBondContact O-N 3.4Å; E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 2.89Å |
| 27 | L | 97.2 | Very high | 95.3 | Very high | 99 Ų | 99 | 105.3 Ų | 105.3 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.3 | -72.5 | 173.6 | 0 | 0 | 0 | 111.5 | I23 Y24 K30 Q31 | I23-L27 HydrophobicContact CG2-CD1 4.09Å; I23-L27 HydrophobicContact CG2-CG 4.47Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 2.94Å; Y24-L27 PolarHBondContact O-N 2.97Å; L27-K30 PolarHBondContact O-N 2.81Å; L27-Q31 VanDerWaalsContact O-CB 3.27Å; L27-Q31 WeakPolarHBondContact O-CB 3.39Å; L27-Q31 PolarHBondContact O-N 2.63Å |
| 28 | L | 95.9 | Very high | 95.1 | Very high | 76 Ų | 76 | 105 Ų | 105 | 40% | 0.398 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.7 | -76 | -179.6 | 0 | 0 | 0 | 112.2 | Y24 K25 E26 Q31 A32 | Y24-L28 HydrophobicContact CD1-CD1 3.88Å; Y24-L28 HydrophobicContact CD1-CG 4.36Å; Y24-L28 HydrophobicContact CE1-CD1 3.41Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.41Å; Y24-L28 HydrophobicContact CE1-CG 4.01Å; Y24-L28 WeakPolarHBondContact O-CG 3.47Å; Y24-L28 PolarHBondContact O-N 2.67Å; K25-L28 PolarHBondContact O-N 3.16Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 2.73Å; L28-Q31 PolarHBondContact O-N 2.83Å; L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 3.21Å |
| 29 | L | 96.4 | Very high | 94.9 | Very high | 115 Ų | 115 | 107.6 Ų | 107.6 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 176.4 | -74.5 | 171.4 | 0 | 0 | 0 | 111.7 | K25 E26 A32 G33 | K25-L29 HydrophobicContact CG-CD1 4.39Å; K25-L29 WeakPolarHBondContact O-CG 3.39Å; K25-L29 PolarHBondContact O-N 3.18Å; E26-L29 PolarHBondContact O-N 3.4Å; L29-A32 PolarHBondContact O-N 3.36Å; L29-G33 PolarHBondContact O-N 3.48Å |
| 30 | K | 95.7 | Very high | 94.5 | Very high | 137 Ų | 137 | 110 Ų | 110 | 60% | 0.596 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.1 | -46.6 | 174.2 | -73.8 | 178 | -177.7 | 175.6 | 0 | 110.9 | E26 L27 A32 G33 V34 | E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 2.89Å; L27-K30 PolarHBondContact O-N 2.81Å; K30-A32 PolarHBondContact O-N 3.11Å; K30-G33 PolarHBondContact O-N 3.28Å; K30-V34 WeakPolarHBondContact O-CG2 3.38Å; K30-V34 PolarHBondContact O-N 3.27Å |
| 31 | Q | 95.1 | Very high | 94.2 | Very high | 87 Ų | 87 | 109.5 Ų | 109.5 | 41% | 0.407 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.7 | -41.1 | 179.4 | -167.5 | -177.7 | 25.5 | 0 | 0 | 111.7 | L27 L28 V34 K35 | L27-Q31 VanDerWaalsContact O-CB 3.27Å; L27-Q31 WeakPolarHBondContact O-CB 3.39Å; L27-Q31 PolarHBondContact O-N 2.63Å; L28-Q31 PolarHBondContact O-N 2.83Å; Q31-V34 PolarHBondContact O-N 3.46Å; Q31-K35 HydrophobicContact CG-CD 4.03Å; Q31-K35 HydrophobicContact CG-CG 4.37Å; Q31-K35 VanDerWaalsContact O-CB 3.3Å; Q31-K35 WeakPolarHBondContact O-CB 3.4Å; Q31-K35 VanDerWaalsContact O-CG 3.28Å; Q31-K35 WeakPolarHBondContact O-CG 3.39Å; Q31-K35 PolarHBondContact O-N 3.21Å |
| 32 | A | 93.7 | Very high | 93.8 | Very high | 58 Ų | 58 | 107 Ų | 107 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.5 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L28 L29 K30 K35 R36 | L28-A32 VanDerWaalsContact O-CB 3.32Å; L28-A32 WeakPolarHBondContact O-CB 3.43Å; L28-A32 PolarHBondContact O-N 3.21Å; L29-A32 PolarHBondContact O-N 3.36Å; K30-A32 PolarHBondContact O-N 3.11Å; A32-K35 PolarHBondContact O-N 3.4Å; A32-R36 PolarHBondContact O-N 3.14Å |
| 33 | G | 93.7 | Very high | 93.2 | Very high | 53 Ų | 53 | 107 Ų | 107 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.1 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L29 K30 R36 | L29-G33 PolarHBondContact O-N 3.48Å; K30-G33 PolarHBondContact O-N 3.28Å; G33-R36 WeakPolarHBondContact O-CG 3.48Å |
| 34 | V | 92.7 | Very high | 92.5 | Very high | 78 Ų | 78 | 108.5 Ų | 108.5 | 47% | 0.473 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -44 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | K30 Q31 R36 L41 P42 | K30-V34 WeakPolarHBondContact O-CG2 3.38Å; K30-V34 PolarHBondContact O-N 3.27Å; Q31-V34 PolarHBondContact O-N 3.46Å; V34-R36 VanDerWaalsContact C-N 3.31Å; V34-R36 PolarHBondContact O-N 3.01Å; V34-L41 HydrophobicContact CG1-CD2 3.67Å; V34-P42 HydrophobicContact CG1-CG 4.34Å; V34-P42 WeakPolarHBondContact O-CD 3.41Å |
| 35 | K | 92.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 108.6 Ų | 108.6 | 22% | 0.222 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -70.1 | -22.2 | -180 | -74.1 | -178.2 | 177.2 | -171.9 | 0 | 113.6 | Q31 A32 G37 S38 K39 L41 | Q31-K35 HydrophobicContact CG-CD 4.03Å; Q31-K35 HydrophobicContact CG-CG 4.37Å; Q31-K35 VanDerWaalsContact O-CB 3.3Å; Q31-K35 WeakPolarHBondContact O-CB 3.4Å; Q31-K35 VanDerWaalsContact O-CG 3.28Å; Q31-K35 WeakPolarHBondContact O-CG 3.39Å; Q31-K35 PolarHBondContact O-N 3.21Å; A32-K35 PolarHBondContact O-N 3.4Å; K35-G37 PolarHBondContact O-N 2.8Å; K35-G37 VanDerWaalsContact O-N 3.07Å; K35-S38 WeakPolarHBondContact CB-O 3.36Å; K35-S38 WeakPolarHBondContact CD-O 3.34Å; K35-S38 PolarHBondContact O-N 2.97Å; K35-S38 PolarHBondContact O-OG 3.47Å; K35-K39 WeakPolarHBondContact CE-O 3.39Å; K35-K39 PolarHBondContact NZ-O 2.91Å; K35-L41 HydrophobicContact CG-CD2 4.18Å |
| 36 | R | 90.1 | Very high | 91.1 | Very high | 229 Ų | 229 | 104.1 Ų | 104.1 | 86% | 0.864 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.6 | 35 | -178.2 | -58.1 | -177.7 | 176.7 | -172.2 | -0.7 | 113.7 | A32 G33 V34 | A32-R36 PolarHBondContact O-N 3.14Å; G33-R36 WeakPolarHBondContact O-CG 3.48Å; V34-R36 VanDerWaalsContact C-N 3.31Å; V34-R36 PolarHBondContact O-N 3.01Å |
| 37 | G | 89.3 | Confident | 90.3 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 84% | 0.835 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | -5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K35 | K35-G37 PolarHBondContact O-N 2.8Å; K35-G37 VanDerWaalsContact O-N 3.07Å |
| 38 | S | 89.6 | Confident | 89.7 | Confident | 59 Ų | 59 | 98.9 Ų | 98.9 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | trans | -78.8 | 156.2 | 171.1 | 58 | 0 | 0 | 0 | 0 | 112.3 | K35 F40 | K35-S38 WeakPolarHBondContact CB-O 3.36Å; K35-S38 WeakPolarHBondContact CD-O 3.34Å; K35-S38 PolarHBondContact O-N 2.97Å; K35-S38 PolarHBondContact O-OG 3.47Å; S38-F40 VanDerWaalsContact C-N 3.3Å; S38-F40 PolarHBondContact OG-O 3.38Å | ||
| 39 | K | 90.9 | Very high | 89.2 | Confident | 169 Ų | 169 | 100 Ų | 100 | 74% | 0.735 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -65.2 | -38.2 | 172.8 | -172.5 | 176.7 | -179.7 | 179.8 | 0 | 111.5 | K35 | K35-K39 WeakPolarHBondContact CE-O 3.39Å; K35-K39 PolarHBondContact NZ-O 2.91Å |
| 40 | F | 90 | Very high | 88.8 | Confident | 145 Ų | 145 | 98.8 Ų | 98.8 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -96.9 | 161.2 | -176.7 | -53.4 | -71.2 | 0 | 0 | 0 | 111.6 | S38 | S38-F40 VanDerWaalsContact C-N 3.3Å; S38-F40 PolarHBondContact OG-O 3.38Å |
| 41 | L | 89.6 | Confident | 88.4 | Confident | 99 Ų | 99 | 98.5 Ų | 98.5 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 154.2 | 168.1 | -68.3 | 170.3 | 0 | 0 | 0 | 109.7 | V34 K35 I43 | V34-L41 HydrophobicContact CG1-CD2 3.67Å; K35-L41 HydrophobicContact CG-CD2 4.18Å; L41-I43 PolarHBondContact O-N 3.27Å; L41-I43 VanDerWaalsContact O-N 3.11Å |
| 42 | P | 87.7 | Confident | 88.1 | Confident | 86 Ų | 86 | 102 Ų | 102 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 119.4 | 170.5 | 25.3 | -32.9 | 0 | 0 | 0 | 108.7 | V34 | V34-P42 HydrophobicContact CG1-CG 4.34Å; V34-P42 WeakPolarHBondContact O-CD 3.41Å |
| 43 | I | 84.8 | Confident | 87.6 | Confident | 132 Ų | 132 | 103 Ų | 103 | 68% | 0.677 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -102 | 131 | 174.1 | -64.1 | 165.8 | 0 | 0 | 0 | 106.8 | L41 L45 | L41-I43 PolarHBondContact O-N 3.27Å; L41-I43 VanDerWaalsContact O-N 3.11Å; I43-L45 PolarHBondContact O-N 3.28Å |
| 44 | D | 83 | Confident | 87.2 | Confident | 121 Ų | 121 | 104.2 Ų | 104.2 | 65% | 0.647 | 52% | 0.515 | S | S | * | . | trans | -72.6 | 112.7 | 170.5 | -73.3 | -27.6 | 0 | 0 | 0 | 108.7 | E46 | D44-E46 PolarHBondContact O-N 2.68Š| ||
| 45 | L | 82.8 | Confident | 86.9 | Confident | 153 Ų | 153 | 106.8 Ų | 106.8 | 80% | 0.801 | 53% | 0.526 | S | S | * | . | trans | -70.6 | -18.8 | 177 | -65.7 | 167 | 0 | 0 | 0 | 112.7 | I43 P47 | I43-L45 PolarHBondContact O-N 3.28Å; L45-P47 WeakPolarHBondContact O-CD 3.46Å | ||
| 46 | E | 84.4 | Confident | 86.3 | Confident | 47 Ų | 47 | 108.3 Ų | 108.3 | 22% | 0.22 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -83.7 | 114.8 | -174.7 | -176.6 | 176.7 | -169.1 | 0 | 0 | 110.9 | D44 F48 K49 R67 Y70 | D44-E46 PolarHBondContact O-N 2.68Å; E46-F48 PolarHBondContact O-N 3.12Å; E46-K49 HydrophobicContact CB-CB 4.38Å; E46-K49 HydrophobicContact CG-CB 4.03Å; E46-K49 WeakPolarHBondContact OE2-CB 3.4Å; E46-K49 VanDerWaalsContact OE2-CD 3.3Å; E46-K49 WeakPolarHBondContact OE2-CD 3.28Å; E46-K49 WeakPolarHBondContact OE2-CG 3.46Å; E46-R67 IonicContact OE1-CZ 2.83Å; E46-R67 IonicContact OE1-NH1 2.73Å; E46-R67 PolarHBondContact OE1-NH1 2.77Å; E46-R67 IonicContact OE1-NH2 3.38Å; E46-R67 PolarHBondContact OE1-NH2 2.83Å; E46-Y70 HydrophobicContact CB-CE1 4.26Å; E46-Y70 HydrophobicContact CG-CD1 4.42Å; E46-Y70 HydrophobicContact CG-CE1 3.81Å |
| 47 | P | 81.9 | Confident | 85.7 | Confident | 37 Ų | 37 | 102.4 Ų | 102.4 | 24% | 0.24 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 123.4 | 173.2 | 26.4 | -32.2 | 0 | 0 | 0 | 109.3 | L45 K49 R67 Y70 | L45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-K49 PolarHBondContact O-N 3.24Å; P47-R67 WeakPolarHBondContact O-CD 3.4Å; P47-Y70 HydrophobicContact CG-CD2 4.41Å; P47-Y70 HydrophobicContact CG-CG 4.16Å |
| 48 | F | 84.3 | Confident | 85.4 | Confident | 63 Ų | 63 | 104 Ų | 104 | 28% | 0.276 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 49.7 | 173.3 | -49.4 | -82.7 | 0 | 0 | 0 | 115.4 | E46 F50 H53 R54 F59 D63 | E46-F48 PolarHBondContact O-N 3.12Å; F48-F50 VanDerWaalsContact C-N 3.34Å; F48-F50 PolarHBondContact O-N 3.03Å; F48-H53 HydrophobicContact CD1-CB 4.26Å; F48-R54 HydrophobicContact CB-CG 3.69Å; F48-R54 PolarHBondContact O-NE 3.15Å; F48-F59 HydrophobicContact CB-CE2 4.29Å; F48-F59 HydrophobicContact CD1-CE2 4.38Å; F48-F59 HydrophobicContact CD2-CD2 4.44Å; F48-F59 AromaticContact CD2-CE2 3.6Å; F48-F59 HydrophobicContact CD2-CE2 3.6Å; F48-F59 HydrophobicContact CD2-CZ 4.47Å; F48-F59 AromaticContact CE2-CE2 3.94Å; F48-F59 HydrophobicContact CE2-CE2 3.94Å; F48-F59 HydrophobicContact CG-CD2 4.47Å; F48-F59 AromaticContact CG-CE2 3.84Å; F48-F59 HydrophobicContact CG-CE2 3.84Å; F48-F59 HydrophobicContact CZ-CE2 4.44Å; F48-D63 HydrophobicContact CD2-CB 4.35Å; F48-D63 HydrophobicContact CE2-CB 3.58Å; F48-D63 WeakPolarHBondContact CE2-OD1 3.11Å; F48-D63 HydrophobicContact CZ-CB 3.99Å; F48-D63 WeakPolarHBondContact CZ-OD1 3.34Å |
| 49 | K | 84.4 | Confident | 85.1 | Confident | 99 Ų | 99 | 103.1 Ų | 103.1 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | trans | -41.8 | -54.2 | 177.1 | 176.3 | 167.6 | -170.6 | 175.3 | 0 | 114.4 | E46 P47 | E46-K49 HydrophobicContact CB-CB 4.38Å; E46-K49 HydrophobicContact CG-CB 4.03Å; E46-K49 WeakPolarHBondContact OE2-CB 3.4Å; E46-K49 VanDerWaalsContact OE2-CD 3.3Å; E46-K49 WeakPolarHBondContact OE2-CD 3.28Å; E46-K49 WeakPolarHBondContact OE2-CG 3.46Å; P47-K49 PolarHBondContact O-N 3.24Å | ||
| 50 | F | 87.9 | Confident | 85.1 | Confident | 91 Ų | 91 | 98.1 Ų | 98.1 | 40% | 0.399 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -84.9 | 138.6 | -176.2 | -52.6 | -68.6 | 0 | 0 | 0 | 112 | F48 R52 H53 | F48-F50 VanDerWaalsContact C-N 3.34Å; F48-F50 PolarHBondContact O-N 3.03Å; F50-R52 HydrophobicContact CB-CG 3.79Å; F50-R52 PolarHBondContact O-N 3.37Å; F50-H53 AromaticContact CD2-CD2 3.66Å; F50-H53 AromaticContact CD2-NE2 3.55Å; F50-H53 PolarHBondContact O-N 3.29Å; F50-H53 VanDerWaalsContact O-N 3.13Å |
| 51 | Q | 87.5 | Confident | 85.2 | Confident | 130 Ų | 130 | 96.7 Ų | 96.7 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.8 | -36 | 176.4 | -169.7 | 173.6 | 2.1 | 0 | 0 | 112.6 | H53 R54 L55 | Q51-H53 VanDerWaalsContact C-N 3.31Å; Q51-H53 PolarHBondContact O-N 3.13Å; Q51-R54 WeakPolarHBondContact O-CA 3.4Å; Q51-R54 WeakPolarHBondContact O-CB 3.47Å; Q51-R54 PolarHBondContact O-N 2.77Å; Q51-L55 HydrophobicContact CG-CD1 3.96Å; Q51-L55 HydrophobicContact CG-CG 4.32Å; Q51-L55 WeakPolarHBondContact O-CG 3.12Å; Q51-L55 PolarHBondContact O-N 3.16Å; Q51-L55 VanDerWaalsContact O-N 3.12Å |
| 52 | R | 88.4 | Confident | 85.3 | Confident | 160 Ų | 160 | 99.7 Ų | 99.7 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.1 | -38.8 | 175.8 | 61.6 | -179.4 | 155.2 | -159.8 | -9.1 | 113.9 | F50 R54 L55 A56 | F50-R52 HydrophobicContact CB-CG 3.79Å; F50-R52 PolarHBondContact O-N 3.37Å; R52-R54 PolarHBondContact O-N 3.23Å; R52-L55 PolarHBondContact O-N 3.24Å; R52-L55 VanDerWaalsContact O-N 3.16Å; R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.36Å |
| 53 | H | 84.8 | Confident | 85.5 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 37% | 0.366 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70 | -27.3 | 179.4 | -63.3 | -60.6 | 0 | 0 | 0 | 111.8 | F48 F50 Q51 L55 | F48-H53 HydrophobicContact CD1-CB 4.26Å; F50-H53 AromaticContact CD2-CD2 3.66Å; F50-H53 AromaticContact CD2-NE2 3.55Å; F50-H53 PolarHBondContact O-N 3.29Å; F50-H53 VanDerWaalsContact O-N 3.13Å; Q51-H53 VanDerWaalsContact C-N 3.31Å; Q51-H53 PolarHBondContact O-N 3.13Å; H53-L55 VanDerWaalsContact C-N 3.33Å |
| 54 | R | 85.5 | Confident | 85.7 | Confident | 79 Ų | 79 | 97.7 Ų | 97.7 | 30% | 0.298 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.2 | -17.6 | 174.8 | -60.6 | 179.4 | -86.5 | 165.1 | -1.5 | 113 | F48 Q51 R52 F59 | F48-R54 HydrophobicContact CB-CG 3.69Å; F48-R54 PolarHBondContact O-NE 3.15Å; Q51-R54 WeakPolarHBondContact O-CA 3.4Å; Q51-R54 WeakPolarHBondContact O-CB 3.47Å; Q51-R54 PolarHBondContact O-N 2.77Å; R52-R54 PolarHBondContact O-N 3.23Å; R54-F59 HydrophobicContact CB-CD1 4.25Å; R54-F59 HydrophobicContact CB-CD2 4.48Å; R54-F59 HydrophobicContact CB-CE1 4.3Å; R54-F59 HydrophobicContact CB-CG 4.34Å; R54-F59 HydrophobicContact CG-CD2 4.35Å; R54-F59 HydrophobicContact CG-CE1 4.17Å; R54-F59 HydrophobicContact CG-CE2 4.02Å; R54-F59 HydrophobicContact CG-CZ 3.95Å; R54-F59 WeakPolarHBondContact O-CB 3.21Å |
| 55 | L | 85.2 | Confident | 86.2 | Confident | 132 Ų | 132 | 94.7 Ų | 94.7 | 69% | 0.691 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -105.9 | -34.3 | -178.8 | -66.8 | 178.2 | 0 | 0 | 0 | 113.2 | Q51 R52 H53 | Q51-L55 HydrophobicContact CG-CD1 3.96Å; Q51-L55 HydrophobicContact CG-CG 4.32Å; Q51-L55 WeakPolarHBondContact O-CG 3.12Å; Q51-L55 PolarHBondContact O-N 3.16Å; Q51-L55 VanDerWaalsContact O-N 3.12Å; R52-L55 PolarHBondContact O-N 3.24Å; R52-L55 VanDerWaalsContact O-N 3.16Å; H53-L55 VanDerWaalsContact C-N 3.33Å |
| 56 | A | 79.6 | Confident | 86.6 | Confident | 84 Ų | 84 | 89.5 Ų | 89.5 | 69% | 0.694 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -87.9 | -22.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R52 | R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.36Å |
| 57 | L | 78.3 | Confident | 86.9 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 55% | 0.55 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -109.6 | 152.7 | 174.1 | -68.2 | 169.7 | 0 | 0 | 0 | 108.9 | F59 | L57-F59 PolarHBondContact O-N 3.09Š|
| 58 | P | 82.1 | Confident | 87.4 | Confident | 115 Ų | 115 | 93.1 Ų | 93.1 | 75% | 0.747 | 47% | 0.469 | S | S | * | . | trans | -57.8 | 106.7 | 170.7 | 25.2 | -33.2 | 0 | 0 | 0 | 108.8 | T60 | P58-T60 PolarHBondContact O-N 3.21Š| ||
| 59 | F | 84.7 | Confident | 87.9 | Confident | 40 Ų | 40 | 96 Ų | 96 | 18% | 0.175 | 48% | 0.484 | C | S | . | . | trans | -87.3 | 97.4 | -179.4 | -168.8 | -132.7 | 0 | 0 | 0 | 108.9 | F48 R54 L57 D63 R64 R67 | F48-F59 HydrophobicContact CB-CE2 4.29Å; F48-F59 HydrophobicContact CD1-CE2 4.38Å; F48-F59 HydrophobicContact CD2-CD2 4.44Å; F48-F59 AromaticContact CD2-CE2 3.6Å; F48-F59 HydrophobicContact CD2-CE2 3.6Å; F48-F59 HydrophobicContact CD2-CZ 4.47Å; F48-F59 AromaticContact CE2-CE2 3.94Å; F48-F59 HydrophobicContact CE2-CE2 3.94Å; F48-F59 HydrophobicContact CG-CD2 4.47Å; F48-F59 AromaticContact CG-CE2 3.84Å; F48-F59 HydrophobicContact CG-CE2 3.84Å; F48-F59 HydrophobicContact CZ-CE2 4.44Å; R54-F59 HydrophobicContact CB-CD1 4.25Å; R54-F59 HydrophobicContact CB-CD2 4.48Å; R54-F59 HydrophobicContact CB-CE1 4.3Å; R54-F59 HydrophobicContact CB-CG 4.34Å; R54-F59 HydrophobicContact CG-CD2 4.35Å; R54-F59 HydrophobicContact CG-CE1 4.17Å; R54-F59 HydrophobicContact CG-CE2 4.02Å; R54-F59 HydrophobicContact CG-CZ 3.95Å; R54-F59 WeakPolarHBondContact O-CB 3.21Å; L57-F59 PolarHBondContact O-N 3.09Å; F59-D63 HydrophobicContact CD2-CB 3.6Å; F59-D63 HydrophobicContact CE2-CB 3.4Å; F59-D63 HydrophobicContact CZ-CB 4.21Å; F59-R64 HydrophobicContact CD1-CG 3.8Å; F59-R64 HydrophobicContact CE1-CB 4.14Å; F59-R64 HydrophobicContact CE1-CG 3.35Å; F59-R64 HydrophobicContact CZ-CB 4.49Å; F59-R64 HydrophobicContact CZ-CG 4.12Å; F59-R64 PolarHBondContact O-NH2 3.44Å; F59-R67 HydrophobicContact CZ-CB 4.33Å | ||
| 60 | T | 91.1 | Very high | 88.3 | Confident | 64 Ų | 64 | 94 Ų | 94 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | trans | -63.3 | 159.9 | -174.7 | 68.6 | 0 | 0 | 0 | 0 | 111.3 | P58 E62 D63 R64 | P58-T60 PolarHBondContact O-N 3.21Å; T60-E62 PolarHBondContact O-N 3.11Å; T60-D63 PolarHBondContact N-OD2 3.4Å; T60-D63 PolarHBondContact O-N 2.69Å; T60-D63 PolarHBondContact OG1-N 3.48Å; T60-D63 VanDerWaalsContact OG1-N 3.16Å; T60-D63 PolarHBondContact OG1-OD2 3.31Å; T60-R64 PolarHBondContact O-N 3.13Å; T60-R64 VanDerWaalsContact O-N 3.1Å | ||
| 61 | D | 91.5 | Very high | 88.5 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.9 | -32.6 | 175.8 | -72 | -29.7 | 0 | 0 | 0 | 111.6 | R64 A65 | D61-R64 VanDerWaalsContact O-CB 3.3Å; D61-R64 WeakPolarHBondContact O-CB 3.3Å; D61-R64 PolarHBondContact O-N 3.07Å; D61-R64 IonicContact OD1-CZ 2.66Å; D61-R64 IonicContact OD1-NE 2.63Å; D61-R64 IonicContact OD1-NH1 3.89Å; D61-R64 PolarHBondContact OD1-NH1 3.28Å; D61-R64 IonicContact OD1-NH2 2.87Å; D61-R64 PolarHBondContact OD1-NH2 3.07Å; D61-A65 PolarHBondContact O-N 3.26Å |
| 62 | E | 91.4 | Very high | 88.8 | Confident | 163 Ų | 163 | 93.6 Ų | 93.6 | 76% | 0.762 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 175 | -63.5 | -173.9 | 172.4 | 0 | 0 | 111.6 | T60 R64 A65 A66 | T60-E62 PolarHBondContact O-N 3.11Å; E62-R64 VanDerWaalsContact C-N 3.25Å; E62-R64 PolarHBondContact O-N 3.2Å; E62-A65 WeakPolarHBondContact O-CB 3.44Å; E62-A65 PolarHBondContact O-N 3.47Å; E62-A65 VanDerWaalsContact O-N 3.13Å; E62-A66 PolarHBondContact O-N 2.91Å |
| 63 | D | 91 | Very high | 88.9 | Confident | 45 Ų | 45 | 91.2 Ų | 91.2 | 24% | 0.241 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 175.6 | -66 | -44 | 0 | 0 | 0 | 111.8 | F48 F59 T60 R67 | F48-D63 HydrophobicContact CD2-CB 4.35Å; F48-D63 HydrophobicContact CE2-CB 3.58Å; F48-D63 WeakPolarHBondContact CE2-OD1 3.11Å; F48-D63 HydrophobicContact CZ-CB 3.99Å; F48-D63 WeakPolarHBondContact CZ-OD1 3.34Å; F59-D63 HydrophobicContact CD2-CB 3.6Å; F59-D63 HydrophobicContact CE2-CB 3.4Å; F59-D63 HydrophobicContact CZ-CB 4.21Å; T60-D63 PolarHBondContact N-OD2 3.4Å; T60-D63 PolarHBondContact O-N 2.69Å; T60-D63 PolarHBondContact OG1-N 3.48Å; T60-D63 VanDerWaalsContact OG1-N 3.16Å; T60-D63 PolarHBondContact OG1-OD2 3.31Å; D63-R67 WeakPolarHBondContact O-CB 3.33Å; D63-R67 PolarHBondContact O-N 3.29Å |
| 64 | R | 90.6 | Very high | 89.2 | Confident | 130 Ų | 130 | 92.5 Ų | 92.5 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 174.1 | -118.5 | 179.1 | -76.1 | 146.6 | 6.7 | 111.6 | F59 T60 D61 E62 R67 K68 | F59-R64 HydrophobicContact CD1-CG 3.8Å; F59-R64 HydrophobicContact CE1-CB 4.14Å; F59-R64 HydrophobicContact CE1-CG 3.35Å; F59-R64 HydrophobicContact CZ-CB 4.49Å; F59-R64 HydrophobicContact CZ-CG 4.12Å; F59-R64 PolarHBondContact O-NH2 3.44Å; T60-R64 PolarHBondContact O-N 3.13Å; T60-R64 VanDerWaalsContact O-N 3.1Å; D61-R64 VanDerWaalsContact O-CB 3.3Å; D61-R64 WeakPolarHBondContact O-CB 3.3Å; D61-R64 PolarHBondContact O-N 3.07Å; D61-R64 IonicContact OD1-CZ 2.66Å; D61-R64 IonicContact OD1-NE 2.63Å; D61-R64 IonicContact OD1-NH1 3.89Å; D61-R64 PolarHBondContact OD1-NH1 3.28Å; D61-R64 IonicContact OD1-NH2 2.87Å; D61-R64 PolarHBondContact OD1-NH2 3.07Å; E62-R64 VanDerWaalsContact C-N 3.25Å; E62-R64 PolarHBondContact O-N 3.2Å; R64-R67 PolarHBondContact O-N 3.01Å; R64-K68 WeakPolarHBondContact O-CB 3.5Å; R64-K68 PolarHBondContact O-N 3.25Å |
| 65 | A | 92.7 | Very high | 89.4 | Confident | 58 Ų | 58 | 95.3 Ų | 95.3 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D61 E62 R67 K68 Q69 | D61-A65 PolarHBondContact O-N 3.26Å; E62-A65 WeakPolarHBondContact O-CB 3.44Å; E62-A65 PolarHBondContact O-N 3.47Å; E62-A65 VanDerWaalsContact O-N 3.13Å; A65-R67 PolarHBondContact O-N 3.37Å; A65-K68 PolarHBondContact O-N 3.35Å; A65-Q69 WeakPolarHBondContact O-CB 3.48Å; A65-Q69 PolarHBondContact O-N 2.91Å |
| 66 | A | 90.5 | Very high | 89.3 | Confident | 44 Ų | 44 | 95.1 Ų | 95.1 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E62 Q69 Y70 | E62-A66 PolarHBondContact O-N 2.91Å; A66-Q69 PolarHBondContact O-N 3.16Å; A66-Y70 WeakPolarHBondContact O-CB 3.49Å; A66-Y70 PolarHBondContact O-N 3.45Å |
| 67 | R | 91.3 | Very high | 89.7 | Confident | 24 Ų | 24 | 94.2 Ų | 94.2 | 9% | 0.091 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.4 | 178.7 | 54.4 | 171.7 | 163.6 | -3.3 | 112.5 | E46 P47 F59 D63 R64 A65 Q69 Y70 L71 | E46-R67 IonicContact OE1-CZ 2.83Å; E46-R67 IonicContact OE1-NH1 2.73Å; E46-R67 PolarHBondContact OE1-NH1 2.77Å; E46-R67 IonicContact OE1-NH2 3.38Å; E46-R67 PolarHBondContact OE1-NH2 2.83Å; P47-R67 WeakPolarHBondContact O-CD 3.4Å; F59-R67 HydrophobicContact CZ-CB 4.33Å; D63-R67 WeakPolarHBondContact O-CB 3.33Å; D63-R67 PolarHBondContact O-N 3.29Å; R64-R67 PolarHBondContact O-N 3.01Å; A65-R67 PolarHBondContact O-N 3.37Å; R67-Q69 VanDerWaalsContact C-N 3.33Å; R67-Y70 PolarHBondContact O-N 3.15Å; R67-L71 HydrophobicContact CG-CD1 4.49Å; R67-L71 WeakPolarHBondContact O-CG 3.46Å; R67-L71 PolarHBondContact O-N 3.47Å |
| 68 | K | 92.6 | Very high | 89.9 | Confident | 136 Ų | 136 | 99 Ų | 99 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 177.3 | -174.4 | 179.9 | -177.4 | 178.6 | 0 | 111.3 | R64 A65 L71 K72 | R64-K68 WeakPolarHBondContact O-CB 3.5Å; R64-K68 PolarHBondContact O-N 3.25Å; A65-K68 PolarHBondContact O-N 3.35Å; K68-L71 PolarHBondContact O-N 3.46Å; K68-K72 WeakPolarHBondContact O-CG 3.12Å; K68-K72 PolarHBondContact O-N 3.18Å; K68-K72 VanDerWaalsContact O-N 3.1Å |
| 69 | Q | 93.9 | Very high | 89.9 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -50.3 | 174.6 | -177.2 | 173.5 | 5.5 | 0 | 0 | 110.7 | A65 A66 R67 L71 K72 D73 | A65-Q69 WeakPolarHBondContact O-CB 3.48Å; A65-Q69 PolarHBondContact O-N 2.91Å; A66-Q69 PolarHBondContact O-N 3.16Å; R67-Q69 VanDerWaalsContact C-N 3.33Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.37Å; Q69-K72 WeakPolarHBondContact O-CA 3.37Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.49Å; Q69-D73 PolarHBondContact O-N 2.63Å |
| 70 | Y | 92.7 | Very high | 89.7 | Confident | 57 Ų | 57 | 106.1 Ų | 106.1 | 22% | 0.224 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -53 | -44.5 | 176.5 | 178.2 | -87.9 | 0 | 0 | 0 | 112.6 | E46 P47 A66 R67 K72 D73 Q74 | E46-Y70 HydrophobicContact CB-CE1 4.26Å; E46-Y70 HydrophobicContact CG-CD1 4.42Å; E46-Y70 HydrophobicContact CG-CE1 3.81Å; P47-Y70 HydrophobicContact CG-CD2 4.41Å; P47-Y70 HydrophobicContact CG-CG 4.16Å; A66-Y70 WeakPolarHBondContact O-CB 3.49Å; A66-Y70 PolarHBondContact O-N 3.45Å; R67-Y70 PolarHBondContact O-N 3.15Å; Y70-K72 VanDerWaalsContact C-N 3.35Å; Y70-K72 PolarHBondContact O-N 2.63Å; Y70-D73 PolarHBondContact O-N 3.01Å; Y70-Q74 HydrophobicContact CD1-CG 4.26Å; Y70-Q74 HydrophobicContact CE1-CG 3.9Å; Y70-Q74 WeakPolarHBondContact O-CG 3.29Å; Y70-Q74 PolarHBondContact O-N 2.93Å; Y70-Q74 VanDerWaalsContact O-N 3.13Å |
| 71 | L | 92.7 | Very high | 89 | Confident | 88 Ų | 88 | 108.3 Ų | 108.3 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 178.4 | -71.3 | 174.8 | 0 | 0 | 0 | 113 | R67 K68 Q69 Q74 | R67-L71 HydrophobicContact CG-CD1 4.49Å; R67-L71 WeakPolarHBondContact O-CG 3.46Å; R67-L71 PolarHBondContact O-N 3.47Å; K68-L71 PolarHBondContact O-N 3.46Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.37Å; L71-Q74 PolarHBondContact O-N 2.83Å |
| 72 | K | 93.6 | Very high | 88.4 | Confident | 126 Ų | 126 | 106.8 Ų | 106.8 | 55% | 0.548 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 172.3 | -73.7 | 178.5 | 173.5 | -170.1 | 0 | 111.2 | K68 Q69 Y70 Q74 L75 | K68-K72 WeakPolarHBondContact O-CG 3.12Å; K68-K72 PolarHBondContact O-N 3.18Å; K68-K72 VanDerWaalsContact O-N 3.1Å; Q69-K72 WeakPolarHBondContact O-CA 3.37Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.49Å; Y70-K72 VanDerWaalsContact C-N 3.35Å; Y70-K72 PolarHBondContact O-N 2.63Å; K72-Q74 PolarHBondContact O-N 2.88Å; K72-L75 VanDerWaalsContact O-CB 3.31Å; K72-L75 WeakPolarHBondContact O-CB 3.33Å; K72-L75 PolarHBondContact O-N 3.42Å |
| 73 | D | 91.8 | Very high | 87.7 | Confident | 109 Ų | 109 | 104 Ų | 104 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68 | -17.8 | 178.3 | -59.1 | -18.7 | 0 | 0 | 0 | 112.2 | Q69 Y70 L75 | Q69-D73 PolarHBondContact O-N 2.63Å; Y70-D73 PolarHBondContact O-N 3.01Å; D73-L75 VanDerWaalsContact C-N 3.34Å |
| 74 | Q | 90.2 | Very high | 87.2 | Confident | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -11.7 | 169.9 | -62.7 | -50.4 | -60.2 | 0 | 0 | 113.6 | Y70 L71 K72 L76 | Y70-Q74 HydrophobicContact CD1-CG 4.26Å; Y70-Q74 HydrophobicContact CE1-CG 3.9Å; Y70-Q74 WeakPolarHBondContact O-CG 3.29Å; Y70-Q74 PolarHBondContact O-N 2.93Å; Y70-Q74 VanDerWaalsContact O-N 3.13Å; L71-Q74 PolarHBondContact O-N 2.83Å; K72-Q74 PolarHBondContact O-N 2.88Å; Q74-L76 PolarHBondContact O-N 2.78Å |
| 75 | L | 89.7 | Confident | 86.5 | Confident | 139 Ų | 139 | 102.6 Ų | 102.6 | 73% | 0.728 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -74.3 | 114.3 | 174.2 | -67.9 | 173.6 | 0 | 0 | 0 | 108.8 | K72 D73 | K72-L75 VanDerWaalsContact O-CB 3.31Å; K72-L75 WeakPolarHBondContact O-CB 3.33Å; K72-L75 PolarHBondContact O-N 3.42Å; D73-L75 VanDerWaalsContact C-N 3.34Å |
| 76 | L | 84.1 | Confident | 85.9 | Confident | 127 Ų | 127 | 107 Ų | 107 | 67% | 0.665 | 54% | 0.541 | S | S | * | . | trans | -64.9 | 151.1 | 174.9 | -73.3 | 95.1 | 0 | 0 | 0 | 110.5 | Q74 E80 | Q74-L76 PolarHBondContact O-N 2.78Å; L76-E80 WeakPolarHBondContact CA-OE2 3.42Å; L76-E80 HydrophobicContact CB-CB 4.08Å; L76-E80 VanDerWaalsContact CB-OE2 3.26Å; L76-E80 WeakPolarHBondContact CB-OE2 3.49Å; L76-E80 HydrophobicContact CD2-CB 3.81Å; L76-E80 HydrophobicContact CD2-CG 4.5Å | ||
| 77 | S | 86.1 | Confident | 85.2 | Confident | 66 Ų | 66 | 115 Ų | 115 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | trans | -66.9 | 154.1 | 174.3 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | R79 E80 | S77-R79 PolarHBondContact O-N 3.07Å; S77-E80 PolarHBondContact N-OE2 3.03Å; S77-E80 WeakPolarHBondContact O-CB 3.35Å; S77-E80 PolarHBondContact O-N 3.01Å; S77-E80 WeakPolarHBondContact OG-CG 3.46Å; S77-E80 PolarHBondContact OG-OE2 2.98Å | ||
| 78 | E | 83.1 | Confident | 84.4 | Confident | 205 Ų | 205 | 118.8 Ų | 118.8 | 96% | 0.958 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -21.2 | -179.7 | -63.5 | -179.9 | 178.4 | 0 | 0 | 113.7 | E80 | E78-E80 VanDerWaalsContact C-N 3.31Š|
| 79 | R | 83.1 | Confident | 83.9 | Confident | 212 Ų | 212 | 122.5 Ų | 122.5 | 80% | 0.8 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -20.4 | 176.9 | -176 | 175.2 | 178.7 | -177 | 0.9 | 112.9 | S77 V82 | S77-R79 PolarHBondContact O-N 3.07Å; R79-V82 HydrophobicContact CG-CG2 4.14Å |
| 80 | E | 80.6 | Confident | 83.4 | Confident | 93 Ų | 93 | 118.2 Ų | 118.2 | 44% | 0.435 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -89.3 | 146.6 | -176.2 | -70.8 | 170.7 | 151 | 0 | 0 | 111.2 | L76 S77 E78 V82 | L76-E80 WeakPolarHBondContact CA-OE2 3.42Å; L76-E80 HydrophobicContact CB-CB 4.08Å; L76-E80 VanDerWaalsContact CB-OE2 3.26Å; L76-E80 WeakPolarHBondContact CB-OE2 3.49Å; L76-E80 HydrophobicContact CD2-CB 3.81Å; L76-E80 HydrophobicContact CD2-CG 4.5Å; S77-E80 PolarHBondContact N-OE2 3.03Å; S77-E80 WeakPolarHBondContact O-CB 3.35Å; S77-E80 PolarHBondContact O-N 3.01Å; S77-E80 WeakPolarHBondContact OG-CG 3.46Å; S77-E80 PolarHBondContact OG-OE2 2.98Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E80-V82 HydrophobicContact CG-CG2 4.49Å |
| 81 | P | 76.4 | Confident | 83.3 | Confident | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | cis | -86.7 | 126.5 | 11.9 | 31.7 | -33.8 | 0 | 0 | 0 | 114.4 | ||
| 82 | V | 79 | Confident | 83.2 | Confident | 82 Ų | 82 | 122.4 Ų | 122.4 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 118.5 | 171.7 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | R79 E80 V84 | R79-V82 HydrophobicContact CG-CG2 4.14Å; E80-V82 HydrophobicContact CG-CG2 4.49Å; V82-V84 HydrophobicContact CG1-CG2 4.23Å; V82-V84 PolarHBondContact O-N 3.33Å; V82-V84 VanDerWaalsContact O-N 3.11Å |
| 83 | N | 75.9 | Confident | 83.2 | Confident | 103 Ų | 103 | 124 Ų | 124 | 55% | 0.551 | 61% | 0.61 | S | S | * | * | trans | -77.8 | 97.3 | 176.2 | -174.2 | 19.1 | 0 | 0 | 0 | 110.7 | P85 | N83-P85 WeakPolarHBondContact O-CD 3.44Š| ||
| 84 | V | 81 | Confident | 83 | Confident | 45 Ų | 45 | 124.2 Ų | 124.2 | 27% | 0.273 | 60% | 0.603 | S | S | . | * | trans | -86.9 | 113.4 | 173.5 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | V82 E86 W87 | V82-V84 HydrophobicContact CG1-CG2 4.23Å; V82-V84 PolarHBondContact O-N 3.33Å; V82-V84 VanDerWaalsContact O-N 3.11Å; V84-E86 HydrophobicContact CG1-CB 4.13Å; V84-E86 PolarHBondContact O-N 3.39Å; V84-W87 HydrophobicContact CB-CD2 4.35Å; V84-W87 HydrophobicContact CB-CE3 4.49Å; V84-W87 HydrophobicContact CB-CG 4.47Å; V84-W87 HydrophobicContact CG1-CD2 4.42Å; V84-W87 HydrophobicContact CG1-CG 4.29Å; V84-W87 PolarHBondContact O-N 3.39Å | ||
| 85 | P | 76.4 | Confident | 82.9 | Confident | 102 Ų | 102 | 126.1 Ų | 126.1 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -26.7 | -177.3 | 24.9 | -32.8 | 0 | 0 | 0 | 113.1 | N83 W87 N88 | N83-P85 WeakPolarHBondContact O-CD 3.44Å; P85-W87 PolarHBondContact O-N 3.03Å; P85-N88 PolarHBondContact O-N 3.34Å |
| 86 | E | 78.4 | Confident | 83 | Confident | 149 Ų | 149 | 124.9 Ų | 124.9 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -28.8 | -176.4 | -60 | -179.6 | -179.9 | 0 | 0 | 113.9 | V84 R89 | V84-E86 HydrophobicContact CG1-CB 4.13Å; V84-E86 PolarHBondContact O-N 3.39Å; E86-R89 WeakPolarHBondContact O-CG 3.28Å |
| 87 | W | 76.9 | Confident | 83.2 | Confident | 212 Ų | 212 | 125 Ų | 125 | 80% | 0.803 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -24 | 179.6 | -67.8 | -3.9 | 0 | 0 | 0 | 112.3 | V84 P85 R89 | V84-W87 HydrophobicContact CB-CD2 4.35Å; V84-W87 HydrophobicContact CB-CE3 4.49Å; V84-W87 HydrophobicContact CB-CG 4.47Å; V84-W87 HydrophobicContact CG1-CD2 4.42Å; V84-W87 HydrophobicContact CG1-CG 4.29Å; V84-W87 PolarHBondContact O-N 3.39Å; P85-W87 PolarHBondContact O-N 3.03Å; W87-R89 PolarHBondContact O-N 2.94Å; W87-R89 VanDerWaalsContact O-N 3.09Å |
| 88 | N | 75.3 | Confident | 83.3 | Confident | 104 Ų | 104 | 125.5 Ų | 125.5 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | trans | -87.4 | 49.3 | 176.1 | -70.5 | -44.1 | 0 | 0 | 0 | 111.4 | P85 V90 | P85-N88 PolarHBondContact O-N 3.34Å; N88-V90 WeakPolarHBondContact O-CG2 3.39Å; N88-V90 PolarHBondContact O-N 3.34Å | ||
| 89 | R | 80.5 | Confident | 83.7 | Confident | 215 Ų | 215 | 122.4 Ų | 122.4 | 81% | 0.811 | 57% | 0.57 | S | S | * | * | trans | -70.9 | 115.9 | 173.3 | -81.1 | -172 | -63.6 | 161.1 | -0.5 | 110.1 | E86 W87 | E86-R89 WeakPolarHBondContact O-CG 3.28Å; W87-R89 PolarHBondContact O-N 2.94Å; W87-R89 VanDerWaalsContact O-N 3.09Å | ||
| 90 | V | 83.9 | Confident | 84.1 | Confident | 32 Ų | 32 | 116.2 Ų | 116.2 | 19% | 0.194 | 56% | 0.557 | C | S | . | * | trans | -116.4 | 144.3 | 179.7 | -165.7 | 0 | 0 | 0 | 0 | 111 | N88 R94 R95 | N88-V90 WeakPolarHBondContact O-CG2 3.39Å; N88-V90 PolarHBondContact O-N 3.34Å; V90-R94 HydrophobicContact CG1-CB 3.55Å; V90-R94 HydrophobicContact CG1-CG 3.26Å; V90-R95 HydrophobicContact CB-CG 4.27Å; V90-R95 PolarHBondContact O-NE 3.24Å | ||
| 91 | N | 90.9 | Very high | 84.6 | Confident | 116 Ų | 116 | 113.8 Ų | 113.8 | 62% | 0.62 | 55% | 0.545 | S | S | * | . | trans | -51.1 | 146 | 173.1 | -63.5 | -1.8 | 0 | 0 | 0 | 111.7 | F93 R94 R95 | N91-F93 PolarHBondContact O-N 3.36Å; N91-R94 HydrophobicContact CB-CB 4.5Å; N91-R94 CarbonylContact O-C 3.45Å; N91-R94 WeakPolarHBondContact O-CA 3.29Å; N91-R94 PolarHBondContact O-N 2.97Å; N91-R95 PolarHBondContact O-N 3.27Å | ||
| 92 | I | 91.1 | Very high | 85.3 | Confident | 117 Ų | 117 | 110.5 Ų | 110.5 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56 | -46.7 | -174.6 | -167.2 | 165 | 0 | 0 | 0 | 113.3 | R94 R95 I96 | I92-R94 PolarHBondContact O-N 3.02Å; I92-R95 WeakPolarHBondContact O-CA 3.3Å; I92-R95 WeakPolarHBondContact O-CB 3.44Å; I92-R95 PolarHBondContact O-N 3.06Å; I92-I96 HydrophobicContact CG1-CD1 4.47Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 3.42Å |
| 93 | F | 92.3 | Very high | 85.9 | Confident | 161 Ų | 161 | 109.2 Ų | 109.2 | 71% | 0.706 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.6 | -38.6 | 176.5 | -61 | -67.1 | 0 | 0 | 0 | 112.2 | N91 R95 I96 Y97 | N91-F93 PolarHBondContact O-N 3.36Å; F93-R95 VanDerWaalsContact C-N 3.32Å; F93-R95 PolarHBondContact O-N 3.47Å; F93-I96 PolarHBondContact O-N 3.06Å; F93-Y97 WeakPolarHBondContact O-CD1 3.47Å; F93-Y97 PolarHBondContact O-N 3.3Å |
| 94 | R | 88.9 | Confident | 86.7 | Confident | 113 Ų | 113 | 107.7 Ų | 107.7 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.8 | -24.2 | 177.3 | 179.2 | 176.5 | -39 | 152.1 | -5.6 | 112.9 | V90 N91 I92 Y97 R98 | V90-R94 HydrophobicContact CG1-CB 3.55Å; V90-R94 HydrophobicContact CG1-CG 3.26Å; N91-R94 HydrophobicContact CB-CB 4.5Å; N91-R94 CarbonylContact O-C 3.45Å; N91-R94 WeakPolarHBondContact O-CA 3.29Å; N91-R94 PolarHBondContact O-N 2.97Å; I92-R94 PolarHBondContact O-N 3.02Å; R94-Y97 HydrophobicContact CB-CD1 4.47Å; R94-Y97 HydrophobicContact CB-CE1 3.65Å; R94-Y97 WeakPolarHBondContact CD-OH 3.17Å; R94-Y97 HydrophobicContact CG-CE1 3.86Å; R94-Y97 HydrophobicContact CG-CE2 4.27Å; R94-Y97 WeakPolarHBondContact CG-OH 3.39Å; R94-Y97 PolarHBondContact NE-OH 3.3Å; R94-R98 HydrophobicContact CG-CG 4.36Å; R94-R98 VanDerWaalsContact O-CB 3.26Å; R94-R98 WeakPolarHBondContact O-CB 3.13Å; R94-R98 WeakPolarHBondContact O-CD 3.26Å; R94-R98 WeakPolarHBondContact O-CG 3.11Å; R94-R98 PolarHBondContact O-N 2.97Å |
| 95 | R | 88.2 | Confident | 87.1 | Confident | 146 Ų | 146 | 105.9 Ų | 105.9 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69 | -45.9 | 168 | -62.3 | -178.6 | -173.8 | -157.2 | -2.3 | 111.2 | V90 N91 I92 F93 R98 M99 | V90-R95 HydrophobicContact CB-CG 4.27Å; V90-R95 PolarHBondContact O-NE 3.24Å; N91-R95 PolarHBondContact O-N 3.27Å; I92-R95 WeakPolarHBondContact O-CA 3.3Å; I92-R95 WeakPolarHBondContact O-CB 3.44Å; I92-R95 PolarHBondContact O-N 3.06Å; F93-R95 VanDerWaalsContact C-N 3.32Å; F93-R95 PolarHBondContact O-N 3.47Å; R95-R98 PolarHBondContact O-N 3.25Å; R95-M99 PolarHBondContact O-N 3.5Å |
| 96 | I | 91.8 | Very high | 87.7 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.7 | -54.3 | -175.7 | -63 | 168.2 | 0 | 0 | 0 | 111 | I92 F93 R98 M99 | I92-I96 HydrophobicContact CG1-CD1 4.47Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 3.42Å; F93-I96 PolarHBondContact O-N 3.06Å; I96-R98 VanDerWaalsContact C-N 3.26Å; I96-R98 PolarHBondContact O-N 2.98Å; I96-M99 WeakPolarHBondContact O-CB 3.2Å; I96-M99 PolarHBondContact O-N 2.97Å |
| 97 | Y | 87.3 | Confident | 88.4 | Confident | 131 Ų | 131 | 105 Ų | 105 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.5 | -20.5 | -177.1 | 73.9 | -111.8 | 0 | 0 | 0 | 113.6 | F93 R94 F101 | F93-Y97 WeakPolarHBondContact O-CD1 3.47Å; F93-Y97 PolarHBondContact O-N 3.3Å; R94-Y97 HydrophobicContact CB-CD1 4.47Å; R94-Y97 HydrophobicContact CB-CE1 3.65Å; R94-Y97 WeakPolarHBondContact CD-OH 3.17Å; R94-Y97 HydrophobicContact CG-CE1 3.86Å; R94-Y97 HydrophobicContact CG-CE2 4.27Å; R94-Y97 WeakPolarHBondContact CG-OH 3.39Å; R94-Y97 PolarHBondContact NE-OH 3.3Å; Y97-F101 WeakPolarHBondContact O-CD2 3.48Å |
| 98 | R | 89.5 | Confident | 89.1 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 29% | 0.287 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -83 | -28.8 | 177.1 | -74.2 | 172.2 | 73.6 | 159.1 | -4.4 | 112.5 | R94 R95 I96 F101 D102 R121 | R94-R98 HydrophobicContact CG-CG 4.36Å; R94-R98 VanDerWaalsContact O-CB 3.26Å; R94-R98 WeakPolarHBondContact O-CB 3.13Å; R94-R98 WeakPolarHBondContact O-CD 3.26Å; R94-R98 WeakPolarHBondContact O-CG 3.11Å; R94-R98 PolarHBondContact O-N 2.97Å; R95-R98 PolarHBondContact O-N 3.25Å; I96-R98 VanDerWaalsContact C-N 3.26Å; I96-R98 PolarHBondContact O-N 2.98Å; R98-F101 PolarHBondContact O-N 3Å; R98-D102 WeakPolarHBondContact O-CB 3.47Å; R98-D102 VanDerWaalsContact O-CG 3.23Å; R98-D102 PolarHBondContact O-N 3.45Å; R98-R121 VanDerWaalsContact CZ-NH2 3.27Å; R98-R121 VanDerWaalsContact NH2-NE 3.18Å |
| 99 | M | 89.9 | Confident | 89.7 | Confident | 140 Ų | 140 | 95.3 Ų | 95.3 | 69% | 0.69 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -45.9 | -50.3 | -175.6 | -173.7 | 177.4 | 177.2 | 0 | 0 | 115 | R95 I96 F101 D102 A103 | R95-M99 PolarHBondContact O-N 3.5Å; I96-M99 WeakPolarHBondContact O-CB 3.2Å; I96-M99 PolarHBondContact O-N 2.97Å; M99-F101 PolarHBondContact O-N 3.33Å; M99-D102 PolarHBondContact O-N 2.88Å; M99-A103 PolarHBondContact O-N 3.37Å; M99-A103 VanDerWaalsContact O-N 3.15Å |
| 100 | P | 92 | Very high | 90.2 | Very high | 81 Ų | 81 | 90.1 Ų | 90.1 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | -179.7 | 25.3 | -34.4 | 0 | 0 | 0 | 112.7 | D102 A103 L104 | P100-D102 VanDerWaalsContact C-N 3.34Å; P100-A103 PolarHBondContact O-N 2.95Å; P100-L104 PolarHBondContact O-N 3.47Å |
| 101 | F | 91.5 | Very high | 90.6 | Very high | 43 Ų | 43 | 95.6 Ų | 95.6 | 19% | 0.189 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -71.2 | -32.5 | 178.2 | -62.9 | -72.1 | 0 | 0 | 0 | 112.2 | Y97 R98 M99 L104 T105 I124 P125 T128 | Y97-F101 WeakPolarHBondContact O-CD2 3.48Å; R98-F101 PolarHBondContact O-N 3Å; M99-F101 PolarHBondContact O-N 3.33Å; F101-L104 PolarHBondContact O-N 3.38Å; F101-T105 WeakPolarHBondContact O-CB 3.41Å; F101-T105 WeakPolarHBondContact O-CG2 3.46Å; F101-T105 PolarHBondContact O-N 2.83Å; F101-T105 PolarHBondContact O-OG1 3.02Å; F101-I124 HydrophobicContact CD1-CG2 3.68Å; F101-I124 HydrophobicContact CE1-CG2 3.76Å; F101-P125 HydrophobicContact CB-CG 4.12Å; F101-P125 HydrophobicContact CD1-CG 4.12Å; F101-P125 HydrophobicContact CD2-CB 4.09Å; F101-P125 HydrophobicContact CD2-CG 4.02Å; F101-P125 HydrophobicContact CE2-CB 4.11Å; F101-P125 HydrophobicContact CE2-CG 4.49Å; F101-P125 HydrophobicContact CG-CB 4.31Å; F101-P125 HydrophobicContact CG-CG 3.81Å; F101-P125 HydrophobicContact CZ-CB 4.34Å; F101-T128 HydrophobicContact CE1-CG2 4.05Å; F101-T128 WeakPolarHBondContact CE1-OG1 3.33Å; F101-T128 VanDerWaalsContact CZ-OG1 3.25Å; F101-T128 WeakPolarHBondContact CZ-OG1 3.34Å |
| 102 | D | 89.7 | Confident | 90.6 | Very high | 41 Ų | 41 | 93.2 Ų | 93.2 | 22% | 0.219 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 175.7 | -73.4 | 14.6 | 0 | 0 | 0 | 110.8 | R98 M99 P100 L104 T105 N106 R121 | R98-D102 WeakPolarHBondContact O-CB 3.47Å; R98-D102 VanDerWaalsContact O-CG 3.23Å; R98-D102 PolarHBondContact O-N 3.45Å; M99-D102 PolarHBondContact O-N 2.88Å; P100-D102 VanDerWaalsContact C-N 3.34Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-L104 PolarHBondContact O-N 2.82Å; D102-T105 WeakPolarHBondContact CA-OG1 3.46Å; D102-T105 PolarHBondContact O-N 3.35Å; D102-T105 PolarHBondContact O-OG1 2.78Å; D102-N106 VanDerWaalsContact O-CG 3.24Å; D102-N106 PolarHBondContact O-N 3.07Å; D102-N106 PolarHBondContact O-ND2 3.12Å; D102-R121 IonicContact OD1-CZ 2.81Å; D102-R121 IonicContact OD1-NE 2.83Å; D102-R121 IonicContact OD1-NH1 2.63Å; D102-R121 PolarHBondContact OD1-NH1 3.49Å; D102-R121 IonicContact OD1-NH2 3.88Å; D102-R121 PolarHBondContact OD1-NH2 2.97Å; D102-R121 IonicContact OD2-CZ 3.18Å; D102-R121 VanDerWaalsContact OD2-CZ 3.25Å; D102-R121 IonicContact OD2-NH1 3.07Å; D102-R121 PolarHBondContact OD2-NH1 2.77Å; D102-R121 IonicContact OD2-NH2 3.77Å; D102-R121 PolarHBondContact OD2-NH2 3.41Å |
| 103 | A | 92 | Very high | 90.5 | Very high | 55 Ų | 55 | 89.1 Ų | 89.1 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M99 P100 T105 N106 L107 | M99-A103 PolarHBondContact O-N 3.37Å; M99-A103 VanDerWaalsContact O-N 3.15Å; P100-A103 PolarHBondContact O-N 2.95Å; A103-T105 PolarHBondContact O-N 3.27Å; A103-N106 PolarHBondContact O-N 2.97Å; A103-L107 WeakPolarHBondContact O-CG 3.32Å; A103-L107 PolarHBondContact O-N 3.15Å; A103-L107 VanDerWaalsContact O-N 3.15Å |
| 104 | L | 93 | Very high | 90.2 | Very high | 71 Ų | 71 | 85.2 Ų | 85.2 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.1 | -165.3 | 163.9 | 0 | 0 | 0 | 111.4 | P100 F101 D102 N106 L107 V108 F120 I124 | P100-L104 PolarHBondContact O-N 3.47Å; F101-L104 PolarHBondContact O-N 3.38Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-L104 PolarHBondContact O-N 2.82Å; L104-N106 VanDerWaalsContact C-N 3.3Å; L104-N106 PolarHBondContact O-N 3.02Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-V108 HydrophobicContact CD2-CG2 3.96Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.06Å; L104-V108 VanDerWaalsContact O-N 3.13Å; L104-F120 HydrophobicContact CD2-CE1 3.38Å; L104-F120 HydrophobicContact CD2-CZ 3.44Å; L104-F120 VanDerWaalsContact CD2-CZ 3.44Å; L104-I124 HydrophobicContact CD2-CD1 4.15Å |
| 105 | T | 89.9 | Confident | 90.1 | Very high | 7 Ų | 7 | 86.4 Ų | 86.4 | 4% | 0.043 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 178.6 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | F101 D102 A103 V108 R109 F120 R121 | F101-T105 WeakPolarHBondContact O-CB 3.41Å; F101-T105 WeakPolarHBondContact O-CG2 3.46Å; F101-T105 PolarHBondContact O-N 2.83Å; F101-T105 PolarHBondContact O-OG1 3.02Å; D102-T105 WeakPolarHBondContact CA-OG1 3.46Å; D102-T105 PolarHBondContact O-N 3.35Å; D102-T105 PolarHBondContact O-OG1 2.78Å; A103-T105 PolarHBondContact O-N 3.27Å; T105-V108 PolarHBondContact O-N 3.03Å; T105-R109 WeakPolarHBondContact O-CB 3.46Å; T105-R109 PolarHBondContact O-N 3.17Å; T105-F120 HydrophobicContact CG2-CD1 3.69Å; T105-F120 HydrophobicContact CG2-CE1 4.04Å; T105-R121 HydrophobicContact CG2-CB 3.71Å; T105-R121 HydrophobicContact CG2-CG 4.08Å |
| 106 | N | 89.4 | Confident | 90.1 | Very high | 96 Ų | 96 | 85.8 Ų | 85.8 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.2 | -34.4 | 177.6 | -71.7 | -22.3 | 0 | 0 | 0 | 112.4 | D102 A103 L104 P110 | D102-N106 VanDerWaalsContact O-CG 3.24Å; D102-N106 PolarHBondContact O-N 3.07Å; D102-N106 PolarHBondContact O-ND2 3.12Å; A103-N106 PolarHBondContact O-N 2.97Å; L104-N106 VanDerWaalsContact C-N 3.3Å; L104-N106 PolarHBondContact O-N 3.02Å; N106-P110 VanDerWaalsContact O-CD 3.28Å; N106-P110 WeakPolarHBondContact O-CD 3.37Å |
| 107 | L | 91.9 | Very high | 90 | Very high | 136 Ų | 136 | 81.2 Ų | 81.2 | 71% | 0.712 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -68.2 | -36.3 | 174 | -67.6 | 174.3 | 0 | 0 | 0 | 112.3 | A103 L104 P110 | A103-L107 WeakPolarHBondContact O-CG 3.32Å; A103-L107 PolarHBondContact O-N 3.15Å; A103-L107 VanDerWaalsContact O-N 3.15Å; L104-L107 PolarHBondContact O-N 2.84Å; L107-P110 WeakPolarHBondContact O-CD 3.27Å; L107-P110 WeakPolarHBondContact O-CG 3.35Å |
| 108 | V | 91.8 | Very high | 90 | Very high | 33 Ų | 33 | 82.8 Ų | 82.8 | 20% | 0.2 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -87.9 | -24.9 | -175.8 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | L104 T105 P110 I111 I112 F120 | L104-V108 HydrophobicContact CD2-CG2 3.96Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.06Å; L104-V108 VanDerWaalsContact O-N 3.13Å; T105-V108 PolarHBondContact O-N 3.03Å; V108-P110 VanDerWaalsContact C-CD 3.49Å; V108-I111 PolarHBondContact O-N 3.39Å; V108-I112 HydrophobicContact CG1-CB 4.48Å; V108-I112 HydrophobicContact CG1-CD1 3.13Å; V108-I112 HydrophobicContact CG1-CG1 3.5Å; V108-I112 VanDerWaalsContact CG1-CG1 3.5Å; V108-I112 PolarHBondContact O-N 2.97Å; V108-I112 VanDerWaalsContact O-N 3.14Å; V108-F120 HydrophobicContact CB-CE1 3.85Å; V108-F120 HydrophobicContact CB-CZ 4.18Å; V108-F120 HydrophobicContact CG1-CD1 4.36Å; V108-F120 HydrophobicContact CG1-CE1 3.86Å; V108-F120 HydrophobicContact CG1-CZ 3.92Å; V108-F120 HydrophobicContact CG2-CE1 4.02Å; V108-F120 HydrophobicContact CG2-CZ 4.01Å |
| 109 | R | 88.9 | Confident | 90.1 | Very high | 79 Ų | 79 | 84.9 Ų | 84.9 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -49.2 | -47.3 | 178.9 | -173.4 | 171.8 | -176.9 | 171.1 | 0.2 | 114.7 | T105 I111 G113 D114 | T105-R109 WeakPolarHBondContact O-CB 3.46Å; T105-R109 PolarHBondContact O-N 3.17Å; R109-I111 PolarHBondContact O-N 3.29Å; R109-G113 WeakPolarHBondContact O-CA 3.25Å; R109-G113 PolarHBondContact O-N 3.5Å; R109-D114 IonicContact CZ-OD1 2.63Å; R109-D114 IonicContact CZ-OD2 3.71Å; R109-D114 IonicContact NE-OD1 3.01Å; R109-D114 PolarHBondContact NE-OD1 3.47Å; R109-D114 IonicContact NE-OD2 2.7Å; R109-D114 IonicContact NH2-OD1 2.93Å; R109-D114 PolarHBondContact NH2-OD1 3.24Å; R109-D114 IonicContact NH2-OD2 2.92Å; R109-D114 PolarHBondContact NH2-OD2 2.9Å |
| 110 | P | 89.6 | Confident | 90.2 | Very high | 107 Ų | 107 | 80.7 Ų | 80.7 | 70% | 0.695 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.3 | -21.9 | 179.4 | 24.8 | -35.2 | 0 | 0 | 0 | 113.6 | N106 L107 V108 | N106-P110 VanDerWaalsContact O-CD 3.28Å; N106-P110 WeakPolarHBondContact O-CD 3.37Å; L107-P110 WeakPolarHBondContact O-CD 3.27Å; L107-P110 WeakPolarHBondContact O-CG 3.35Å; V108-P110 VanDerWaalsContact C-CD 3.49Å |
| 111 | I | 93.3 | Very high | 90.1 | Very high | 146 Ų | 146 | 80 Ų | 80 | 75% | 0.749 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -87.8 | -44.3 | -177.8 | -56.2 | 171.7 | 0 | 0 | 0 | 111 | V108 R109 | V108-I111 PolarHBondContact O-N 3.39Å; R109-I111 PolarHBondContact O-N 3.29Å |
| 112 | I | 90.1 | Very high | 90 | Very high | 66 Ų | 66 | 80.1 Ų | 80.1 | 34% | 0.338 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -94.6 | -21.8 | -171.3 | -47.8 | -171.1 | 0 | 0 | 0 | 111.9 | V108 K116 | V108-I112 HydrophobicContact CG1-CB 4.48Å; V108-I112 HydrophobicContact CG1-CD1 3.13Å; V108-I112 HydrophobicContact CG1-CG1 3.5Å; V108-I112 VanDerWaalsContact CG1-CG1 3.5Å; V108-I112 PolarHBondContact O-N 2.97Å; V108-I112 VanDerWaalsContact O-N 3.14Å; I112-K116 HydrophobicContact CB-CB 4.35Å; I112-K116 HydrophobicContact CG2-CB 3.29Å; I112-K116 HydrophobicContact CG2-CD 3.49Å; I112-K116 VanDerWaalsContact CG2-CD 3.49Å; I112-K116 HydrophobicContact CG2-CG 4.03Å |
| 113 | G | 89.3 | Confident | 90.1 | Very high | 31 Ų | 31 | 81.5 Ų | 81.5 | 32% | 0.32 | 42% | 0.42 | S | S | . | . | trans | 85.3 | 165.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R109 K116 S117 | R109-G113 WeakPolarHBondContact O-CA 3.25Å; R109-G113 PolarHBondContact O-N 3.5Å; G113-K116 PolarHBondContact O-N 3.38Å; G113-S117 WeakPolarHBondContact O-CB 3.48Å; G113-S117 PolarHBondContact O-N 2.93Å | ||
| 114 | D | 86.1 | Confident | 90.2 | Very high | 80 Ų | 80 | 80.2 Ų | 80.2 | 43% | 0.428 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | -167.8 | -83.2 | 10.9 | 0 | 0 | 0 | 113.8 | R109 K116 S117 W118 | R109-D114 IonicContact CZ-OD1 2.63Å; R109-D114 IonicContact CZ-OD2 3.71Å; R109-D114 IonicContact NE-OD1 3.01Å; R109-D114 PolarHBondContact NE-OD1 3.47Å; R109-D114 IonicContact NE-OD2 2.7Å; R109-D114 IonicContact NH2-OD1 2.93Å; R109-D114 PolarHBondContact NH2-OD1 3.24Å; R109-D114 IonicContact NH2-OD2 2.92Å; R109-D114 PolarHBondContact NH2-OD2 2.9Å; D114-K116 PolarHBondContact O-N 3.23Å; D114-S117 PolarHBondContact O-N 3.3Å; D114-S117 PolarHBondContact O-OG 2.92Å; D114-W118 PolarHBondContact O-N 2.95Å |
| 115 | H | 86.8 | Confident | 90.2 | Very high | 138 Ų | 138 | 78.2 Ų | 78.2 | 64% | 0.639 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.3 | -46.9 | -178.7 | -176.2 | -102.2 | 0 | 0 | 0 | 112.3 | W118 Y119 | H115-W118 WeakPolarHBondContact O-CB 3.37Å; H115-W118 PolarHBondContact O-N 3.46Å; H115-Y119 AromaticContact CE1-CE2 3.47Å; H115-Y119 VanDerWaalsContact CE1-CE2 3.47Å; H115-Y119 WeakPolarHBondContact CE1-CE2 3.36Å; H115-Y119 AromaticContact ND1-CE2 3.88Å; H115-Y119 AromaticContact NE2-CE2 3.82Å; H115-Y119 VanDerWaalsContact O-CD2 3.29Å; H115-Y119 WeakPolarHBondContact O-CD2 3.43Å |
| 116 | K | 89.3 | Confident | 90.3 | Very high | 133 Ų | 133 | 84.9 Ų | 84.9 | 58% | 0.578 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -73.7 | -32.7 | -179.3 | -69.8 | -179.7 | 179.5 | 177 | 0 | 112.3 | I112 G113 D114 W118 Y119 F120 | I112-K116 HydrophobicContact CB-CB 4.35Å; I112-K116 HydrophobicContact CG2-CB 3.29Å; I112-K116 HydrophobicContact CG2-CD 3.49Å; I112-K116 VanDerWaalsContact CG2-CD 3.49Å; I112-K116 HydrophobicContact CG2-CG 4.03Å; G113-K116 PolarHBondContact O-N 3.38Å; D114-K116 PolarHBondContact O-N 3.23Å; K116-W118 PolarHBondContact O-N 2.95Å; K116-Y119 PolarHBondContact O-N 2.84Å; K116-F120 WeakPolarHBondContact O-CB 3.2Å; K116-F120 PolarHBondContact O-N 2.89Å |
| 117 | S | 88.4 | Confident | 90.7 | Very high | 15 Ų | 15 | 84.4 Ų | 84.4 | 11% | 0.105 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.8 | -32.9 | 175 | 79.3 | 0 | 0 | 0 | 0 | 112.8 | G113 D114 F120 R121 | G113-S117 WeakPolarHBondContact O-CB 3.48Å; G113-S117 PolarHBondContact O-N 2.93Å; D114-S117 PolarHBondContact O-N 3.3Å; D114-S117 PolarHBondContact O-OG 2.92Å; S117-F120 WeakPolarHBondContact O-CB 3.06Å; S117-F120 PolarHBondContact O-N 2.69Å; S117-R121 WeakPolarHBondContact O-CB 3.37Å; S117-R121 PolarHBondContact O-N 3.42Å |
| 118 | W | 87.7 | Confident | 90.8 | Very high | 165 Ų | 165 | 80 Ų | 80 | 63% | 0.625 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | 176.6 | 179.1 | 82.9 | 0 | 0 | 0 | 111.7 | D114 H115 K116 R121 A122 | D114-W118 PolarHBondContact O-N 2.95Å; H115-W118 WeakPolarHBondContact O-CB 3.37Å; H115-W118 PolarHBondContact O-N 3.46Å; K116-W118 PolarHBondContact O-N 2.95Å; W118-R121 PolarHBondContact O-N 3.42Å; W118-A122 PolarHBondContact O-N 3.47Å; W118-A122 VanDerWaalsContact O-N 3.16Å |
| 119 | Y | 91.5 | Very high | 90.9 | Very high | 119 Ų | 119 | 82 Ų | 82 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.9 | -69.9 | -80.9 | 0 | 0 | 0 | 111.4 | H115 K116 R121 A122 T123 | H115-Y119 AromaticContact CE1-CE2 3.47Å; H115-Y119 VanDerWaalsContact CE1-CE2 3.47Å; H115-Y119 WeakPolarHBondContact CE1-CE2 3.36Å; H115-Y119 AromaticContact ND1-CE2 3.88Å; H115-Y119 AromaticContact NE2-CE2 3.82Å; H115-Y119 VanDerWaalsContact O-CD2 3.29Å; H115-Y119 WeakPolarHBondContact O-CD2 3.43Å; K116-Y119 PolarHBondContact O-N 2.84Å; Y119-R121 VanDerWaalsContact C-N 3.33Å; Y119-R121 PolarHBondContact O-N 3.33Å; Y119-A122 PolarHBondContact O-N 2.85Å; Y119-T123 WeakPolarHBondContact O-CG2 3.27Å; Y119-T123 PolarHBondContact O-N 3.3Å; Y119-T123 PolarHBondContact O-OG1 3.43Å |
| 120 | F | 92 | Very high | 91.2 | Very high | 53 Ų | 53 | 82.4 Ų | 82.4 | 23% | 0.232 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.5 | -46.2 | 179 | -177.1 | -108.5 | 0 | 0 | 0 | 111.9 | L104 T105 V108 K116 S117 A122 T123 I124 | L104-F120 HydrophobicContact CD2-CE1 3.38Å; L104-F120 HydrophobicContact CD2-CZ 3.44Å; L104-F120 VanDerWaalsContact CD2-CZ 3.44Å; T105-F120 HydrophobicContact CG2-CD1 3.69Å; T105-F120 HydrophobicContact CG2-CE1 4.04Å; V108-F120 HydrophobicContact CB-CE1 3.85Å; V108-F120 HydrophobicContact CB-CZ 4.18Å; V108-F120 HydrophobicContact CG1-CD1 4.36Å; V108-F120 HydrophobicContact CG1-CE1 3.86Å; V108-F120 HydrophobicContact CG1-CZ 3.92Å; V108-F120 HydrophobicContact CG2-CE1 4.02Å; V108-F120 HydrophobicContact CG2-CZ 4.01Å; K116-F120 WeakPolarHBondContact O-CB 3.2Å; K116-F120 PolarHBondContact O-N 2.89Å; S117-F120 WeakPolarHBondContact O-CB 3.06Å; S117-F120 PolarHBondContact O-N 2.69Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 2.83Å; F120-T123 PolarHBondContact O-N 2.81Å; F120-T123 PolarHBondContact O-OG1 2.94Å; F120-I124 HydrophobicContact CD1-CD1 3.44Å; F120-I124 VanDerWaalsContact CD1-CD1 3.44Å; F120-I124 HydrophobicContact CD2-CD1 3.43Å; F120-I124 VanDerWaalsContact CD2-CD1 3.43Å; F120-I124 HydrophobicContact CD2-CG1 3.93Å; F120-I124 HydrophobicContact CE1-CD1 3.15Å; F120-I124 HydrophobicContact CE2-CD1 3.15Å; F120-I124 HydrophobicContact CE2-CG1 3.88Å; F120-I124 HydrophobicContact CG-CD1 3.57Å; F120-I124 HydrophobicContact CG-CG1 4.29Å; F120-I124 HydrophobicContact CZ-CD1 3.02Å; F120-I124 HydrophobicContact CZ-CG1 4.2Å; F120-I124 VanDerWaalsContact O-CG1 3.29Å; F120-I124 WeakPolarHBondContact O-CG1 3.23Å; F120-I124 PolarHBondContact O-N 2.91Å |
| 121 | R | 89.1 | Confident | 91.6 | Very high | 67 Ų | 67 | 80.9 Ų | 80.9 | 25% | 0.253 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.2 | -34.1 | 175 | -176.2 | -178.1 | 173.5 | 109.1 | 10.4 | 113 | R98 D102 T105 S117 W118 Y119 P125 | R98-R121 VanDerWaalsContact CZ-NH2 3.27Å; R98-R121 VanDerWaalsContact NH2-NE 3.18Å; D102-R121 IonicContact OD1-CZ 2.81Å; D102-R121 IonicContact OD1-NE 2.83Å; D102-R121 IonicContact OD1-NH1 2.63Å; D102-R121 PolarHBondContact OD1-NH1 3.49Å; D102-R121 IonicContact OD1-NH2 3.88Å; D102-R121 PolarHBondContact OD1-NH2 2.97Å; D102-R121 IonicContact OD2-CZ 3.18Å; D102-R121 VanDerWaalsContact OD2-CZ 3.25Å; D102-R121 IonicContact OD2-NH1 3.07Å; D102-R121 PolarHBondContact OD2-NH1 2.77Å; D102-R121 IonicContact OD2-NH2 3.77Å; D102-R121 PolarHBondContact OD2-NH2 3.41Å; T105-R121 HydrophobicContact CG2-CB 3.71Å; T105-R121 HydrophobicContact CG2-CG 4.08Å; S117-R121 WeakPolarHBondContact O-CB 3.37Å; S117-R121 PolarHBondContact O-N 3.42Å; W118-R121 PolarHBondContact O-N 3.42Å; Y119-R121 VanDerWaalsContact C-N 3.33Å; Y119-R121 PolarHBondContact O-N 3.33Å; R121-P125 WeakPolarHBondContact O-CD 3.38Å; R121-P125 WeakPolarHBondContact O-CG 3.36Å |
| 122 | A | 89.8 | Confident | 91.7 | Very high | 44 Ų | 44 | 77.8 Ų | 77.8 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -80.7 | -29.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | W118 Y119 F120 K126 | W118-A122 PolarHBondContact O-N 3.47Å; W118-A122 VanDerWaalsContact O-N 3.16Å; Y119-A122 PolarHBondContact O-N 2.85Å; F120-A122 VanDerWaalsContact C-N 3.28Å; F120-A122 PolarHBondContact O-N 2.83Å; A122-K126 WeakPolarHBondContact O-CD 3.5Å; A122-K126 WeakPolarHBondContact O-CE 3.33Å |
| 123 | T | 93.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 80.5 Ų | 80.5 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -93.2 | -43.4 | -173.9 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | Y119 F120 K126 V127 | Y119-T123 WeakPolarHBondContact O-CG2 3.27Å; Y119-T123 PolarHBondContact O-N 3.3Å; Y119-T123 PolarHBondContact O-OG1 3.43Å; F120-T123 PolarHBondContact O-N 2.81Å; F120-T123 PolarHBondContact O-OG1 2.94Å; T123-K126 WeakPolarHBondContact O-CB 3.32Å; T123-K126 PolarHBondContact O-N 3.43Å; T123-K126 VanDerWaalsContact O-N 3.15Å; T123-V127 WeakPolarHBondContact O-CG2 3.32Å; T123-V127 PolarHBondContact O-N 2.97Å |
| 124 | I | 93.4 | Very high | 92.5 | Very high | 29 Ų | 29 | 85.8 Ų | 85.8 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -56.1 | -51.6 | -174.5 | -67.4 | 166.2 | 0 | 0 | 0 | 112.9 | F101 L104 F120 K126 V127 T128 | F101-I124 HydrophobicContact CD1-CG2 3.68Å; F101-I124 HydrophobicContact CE1-CG2 3.76Å; L104-I124 HydrophobicContact CD2-CD1 4.15Å; F120-I124 HydrophobicContact CD1-CD1 3.44Å; F120-I124 VanDerWaalsContact CD1-CD1 3.44Å; F120-I124 HydrophobicContact CD2-CD1 3.43Å; F120-I124 VanDerWaalsContact CD2-CD1 3.43Å; F120-I124 HydrophobicContact CD2-CG1 3.93Å; F120-I124 HydrophobicContact CE1-CD1 3.15Å; F120-I124 HydrophobicContact CE2-CD1 3.15Å; F120-I124 HydrophobicContact CE2-CG1 3.88Å; F120-I124 HydrophobicContact CG-CD1 3.57Å; F120-I124 HydrophobicContact CG-CG1 4.29Å; F120-I124 HydrophobicContact CZ-CD1 3.02Å; F120-I124 HydrophobicContact CZ-CG1 4.2Å; F120-I124 VanDerWaalsContact O-CG1 3.29Å; F120-I124 WeakPolarHBondContact O-CG1 3.23Å; F120-I124 PolarHBondContact O-N 2.91Å; I124-K126 PolarHBondContact O-N 3.31Å; I124-K126 VanDerWaalsContact O-N 3.12Å; I124-V127 PolarHBondContact O-N 2.93Å; I124-T128 HydrophobicContact CG2-CG2 3.84Å; I124-T128 PolarHBondContact O-N 3.2Å; I124-T128 PolarHBondContact O-OG1 3.29Å |
| 125 | P | 91.9 | Very high | 93 | Very high | 29 Ų | 29 | 90 Ų | 90 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.9 | -33.2 | -175.1 | -23 | 34.8 | 0 | 0 | 0 | 111.5 | F101 R121 T128 C129 | F101-P125 HydrophobicContact CB-CG 4.12Å; F101-P125 HydrophobicContact CD1-CG 4.12Å; F101-P125 HydrophobicContact CD2-CB 4.09Å; F101-P125 HydrophobicContact CD2-CG 4.02Å; F101-P125 HydrophobicContact CE2-CB 4.11Å; F101-P125 HydrophobicContact CE2-CG 4.49Å; F101-P125 HydrophobicContact CG-CB 4.31Å; F101-P125 HydrophobicContact CG-CG 3.81Å; F101-P125 HydrophobicContact CZ-CB 4.34Å; R121-P125 WeakPolarHBondContact O-CD 3.38Å; R121-P125 WeakPolarHBondContact O-CG 3.36Å; P125-T128 WeakPolarHBondContact CA-OG1 3.36Å; P125-T128 PolarHBondContact O-OG1 2.99Å; P125-T128 VanDerWaalsContact O-OG1 3.07Å; P125-C129 WeakPolarHBondContact O-CB 3.22Å; P125-C129 PolarHBondContact O-N 3.46Å; P125-C129 PolarHBondContact O-SG 2.94Å |
| 126 | K | 93.9 | Very high | 93.4 | Very high | 146 Ų | 146 | 89.9 Ų | 89.9 | 64% | 0.635 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.3 | -51.8 | 176.4 | -59.8 | 178.9 | -175.7 | 175.7 | 0 | 110.3 | A122 T123 I124 T128 C129 T130 | A122-K126 WeakPolarHBondContact O-CD 3.5Å; A122-K126 WeakPolarHBondContact O-CE 3.33Å; T123-K126 WeakPolarHBondContact O-CB 3.32Å; T123-K126 PolarHBondContact O-N 3.43Å; T123-K126 VanDerWaalsContact O-N 3.15Å; I124-K126 PolarHBondContact O-N 3.31Å; I124-K126 VanDerWaalsContact O-N 3.12Å; K126-T128 VanDerWaalsContact C-N 3.35Å; K126-T128 PolarHBondContact O-N 3.5Å; K126-C129 PolarHBondContact O-N 3.32Å; K126-T130 WeakPolarHBondContact O-CB 3.41Å; K126-T130 VanDerWaalsContact O-CG2 3.32Å; K126-T130 WeakPolarHBondContact O-CG2 3.26Å; K126-T130 PolarHBondContact O-N 3.17Å; K126-T130 PolarHBondContact O-OG1 3.39Å |
| 127 | V | 95.9 | Very high | 93.5 | Very high | 87 Ų | 87 | 85.6 Ų | 85.6 | 53% | 0.527 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 179.8 | 175.5 | 0 | 0 | 0 | 0 | 111 | T123 I124 T130 L131 | T123-V127 WeakPolarHBondContact O-CG2 3.32Å; T123-V127 PolarHBondContact O-N 2.97Å; I124-V127 PolarHBondContact O-N 2.93Å; V127-T130 WeakPolarHBondContact CA-OG1 3.41Å; V127-T130 PolarHBondContact O-N 3.25Å; V127-T130 PolarHBondContact O-OG1 3.24Å; V127-L131 WeakPolarHBondContact O-CB 3.31Å; V127-L131 PolarHBondContact O-N 3.01Å |
| 128 | T | 94 | Very high | 93.5 | Very high | 42 Ų | 42 | 91.1 Ų | 91.1 | 26% | 0.258 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | F101 I124 P125 K126 T130 L131 I132 | F101-T128 HydrophobicContact CE1-CG2 4.05Å; F101-T128 WeakPolarHBondContact CE1-OG1 3.33Å; F101-T128 VanDerWaalsContact CZ-OG1 3.25Å; F101-T128 WeakPolarHBondContact CZ-OG1 3.34Å; I124-T128 HydrophobicContact CG2-CG2 3.84Å; I124-T128 PolarHBondContact O-N 3.2Å; I124-T128 PolarHBondContact O-OG1 3.29Å; P125-T128 WeakPolarHBondContact CA-OG1 3.36Å; P125-T128 PolarHBondContact O-OG1 2.99Å; P125-T128 VanDerWaalsContact O-OG1 3.07Å; K126-T128 VanDerWaalsContact C-N 3.35Å; K126-T128 PolarHBondContact O-N 3.5Å; T128-T130 PolarHBondContact O-N 2.92Å; T128-L131 PolarHBondContact O-N 2.96Å; T128-I132 WeakPolarHBondContact O-CB 3.48Å; T128-I132 WeakPolarHBondContact O-CD1 3.47Å; T128-I132 VanDerWaalsContact O-CG1 3.23Å; T128-I132 WeakPolarHBondContact O-CG1 3.27Å; T128-I132 PolarHBondContact O-N 3.31Å |
| 129 | C | 93.7 | Very high | 93.6 | Very high | 75 Ų | 75 | 89.2 Ų | 89.2 | 51% | 0.507 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 177.3 | -74.1 | 0 | 0 | 0 | 0 | 112 | P125 K126 L131 L133 | P125-C129 WeakPolarHBondContact O-CB 3.22Å; P125-C129 PolarHBondContact O-N 3.46Å; P125-C129 PolarHBondContact O-SG 2.94Å; K126-C129 PolarHBondContact O-N 3.32Å; C129-L131 VanDerWaalsContact C-N 3.33Å; C129-L133 VanDerWaalsContact O-CB 3.31Å; C129-L133 WeakPolarHBondContact O-CB 3.47Å; C129-L133 PolarHBondContact O-N 3.47Å |
| 130 | T | 96.6 | Very high | 93.3 | Very high | 88 Ų | 88 | 91.3 Ų | 91.3 | 54% | 0.54 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.6 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | K126 V127 T128 L133 F134 | K126-T130 WeakPolarHBondContact O-CB 3.41Å; K126-T130 VanDerWaalsContact O-CG2 3.32Å; K126-T130 WeakPolarHBondContact O-CG2 3.26Å; K126-T130 PolarHBondContact O-N 3.17Å; K126-T130 PolarHBondContact O-OG1 3.39Å; V127-T130 WeakPolarHBondContact CA-OG1 3.41Å; V127-T130 PolarHBondContact O-N 3.25Å; V127-T130 PolarHBondContact O-OG1 3.24Å; T128-T130 PolarHBondContact O-N 2.92Å; T130-L133 PolarHBondContact O-N 2.87Å; T130-F134 WeakPolarHBondContact O-CB 3.49Å; T130-F134 PolarHBondContact O-N 2.9Å |
| 131 | L | 97.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 92.7 Ų | 92.7 | 40% | 0.398 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 179.9 | -168.1 | 163.5 | 0 | 0 | 0 | 110.5 | V127 T128 C129 L133 F134 W135 | V127-L131 WeakPolarHBondContact O-CB 3.31Å; V127-L131 PolarHBondContact O-N 3.01Å; T128-L131 PolarHBondContact O-N 2.96Å; C129-L131 VanDerWaalsContact C-N 3.33Å; L131-L133 PolarHBondContact O-N 3.26Å; L131-F134 PolarHBondContact O-N 3.03Å; L131-W135 HydrophobicContact CD2-CD2 3.38Å; L131-W135 VanDerWaalsContact CD2-CE2 3.45Å; L131-W135 HydrophobicContact CD2-CE3 3.25Å; L131-W135 HydrophobicContact CD2-CG 4.25Å; L131-W135 HydrophobicContact CD2-CH2 3.35Å; L131-W135 HydrophobicContact CD2-CZ2 3.47Å; L131-W135 VanDerWaalsContact CD2-CZ2 3.47Å; L131-W135 HydrophobicContact CD2-CZ3 3.22Å; L131-W135 PolarHBondContact O-N 2.95Å |
| 132 | I | 96.8 | Very high | 92.6 | Very high | 80 Ų | 80 | 93.8 Ų | 93.8 | 41% | 0.41 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 173.8 | -71.1 | 166.5 | 0 | 0 | 0 | 110.6 | T128 F134 W135 F136 | T128-I132 WeakPolarHBondContact O-CB 3.48Å; T128-I132 WeakPolarHBondContact O-CD1 3.47Å; T128-I132 VanDerWaalsContact O-CG1 3.23Å; T128-I132 WeakPolarHBondContact O-CG1 3.27Å; T128-I132 PolarHBondContact O-N 3.31Å; I132-F134 VanDerWaalsContact C-N 3.31Å; I132-F134 PolarHBondContact O-N 3.17Å; I132-W135 PolarHBondContact O-N 3.47Å; I132-F136 HydrophobicContact CG2-CD2 3.52Å; I132-F136 HydrophobicContact CG2-CE2 3.53Å; I132-F136 VanDerWaalsContact O-CD2 3.26Å; I132-F136 WeakPolarHBondContact O-CD2 3.42Å; I132-F136 PolarHBondContact O-N 2.92Å |
| 133 | L | 97 | Very high | 92.3 | Very high | 123 Ų | 123 | 97.6 Ų | 97.6 | 64% | 0.644 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.6 | -43.7 | 177.7 | -177.4 | 151.9 | 0 | 0 | 0 | 111.6 | C129 T130 L131 F136 A137 | C129-L133 VanDerWaalsContact O-CB 3.31Å; C129-L133 WeakPolarHBondContact O-CB 3.47Å; C129-L133 PolarHBondContact O-N 3.47Å; T130-L133 PolarHBondContact O-N 2.87Å; L131-L133 PolarHBondContact O-N 3.26Å; L133-F136 PolarHBondContact O-N 2.84Å; L133-A137 WeakPolarHBondContact O-CB 3.37Å; L133-A137 PolarHBondContact O-N 3.36Å |
| 134 | F | 97.4 | Very high | 91.3 | Very high | 143 Ų | 143 | 97.4 Ų | 97.4 | 63% | 0.627 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 178.6 | -168.2 | -97.7 | 0 | 0 | 0 | 111.9 | T130 L131 I132 A137 W138 | T130-F134 WeakPolarHBondContact O-CB 3.49Å; T130-F134 PolarHBondContact O-N 2.9Å; L131-F134 PolarHBondContact O-N 3.03Å; I132-F134 VanDerWaalsContact C-N 3.31Å; I132-F134 PolarHBondContact O-N 3.17Å; F134-A137 PolarHBondContact O-N 2.85Å; F134-W138 VanDerWaalsContact O-CB 3.27Å; F134-W138 WeakPolarHBondContact O-CB 3.14Å; F134-W138 PolarHBondContact O-N 2.84Å |
| 135 | W | 96.6 | Very high | 90 | Very high | 167 Ų | 167 | 99 Ų | 99 | 63% | 0.633 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 173.1 | -82.1 | -22.8 | 0 | 0 | 0 | 112.5 | L131 I132 W138 Y139 | L131-W135 HydrophobicContact CD2-CD2 3.38Å; L131-W135 VanDerWaalsContact CD2-CE2 3.45Å; L131-W135 HydrophobicContact CD2-CE3 3.25Å; L131-W135 HydrophobicContact CD2-CG 4.25Å; L131-W135 HydrophobicContact CD2-CH2 3.35Å; L131-W135 HydrophobicContact CD2-CZ2 3.47Å; L131-W135 VanDerWaalsContact CD2-CZ2 3.47Å; L131-W135 HydrophobicContact CD2-CZ3 3.22Å; L131-W135 PolarHBondContact O-N 2.95Å; I132-W135 PolarHBondContact O-N 3.47Å; W135-W138 PolarHBondContact O-N 2.82Å; W135-Y139 WeakPolarHBondContact O-CB 3.33Å; W135-Y139 PolarHBondContact O-N 3.44Å |
| 136 | F | 95.2 | Very high | 88.8 | Confident | 137 Ų | 137 | 102.1 Ų | 102.1 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -46.5 | 175 | -89.3 | -71.8 | 0 | 0 | 0 | 111.6 | I132 L133 W138 Y139 R140 | I132-F136 HydrophobicContact CG2-CD2 3.52Å; I132-F136 HydrophobicContact CG2-CE2 3.53Å; I132-F136 VanDerWaalsContact O-CD2 3.26Å; I132-F136 WeakPolarHBondContact O-CD2 3.42Å; I132-F136 PolarHBondContact O-N 2.92Å; L133-F136 PolarHBondContact O-N 2.84Å; F136-W138 PolarHBondContact O-N 3.28Å; F136-Y139 PolarHBondContact O-N 2.94Å; F136-R140 WeakPolarHBondContact O-CB 3.21Å; F136-R140 WeakPolarHBondContact O-CG 3.27Å; F136-R140 PolarHBondContact O-N 3.48Å |
| 137 | A | 91.4 | Very high | 87.5 | Confident | 42 Ų | 42 | 104.6 Ų | 104.6 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L133 F134 R140 I141 | L133-A137 WeakPolarHBondContact O-CB 3.37Å; L133-A137 PolarHBondContact O-N 3.36Å; F134-A137 PolarHBondContact O-N 2.85Å; A137-R140 PolarHBondContact O-N 3.35Å; A137-I141 WeakPolarHBondContact O-CB 3.39Å; A137-I141 VanDerWaalsContact O-CG1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.32Å; A137-I141 PolarHBondContact O-N 3.45Å |
| 138 | W | 89.9 | Confident | 86.1 | Confident | 131 Ų | 131 | 106.9 Ų | 106.9 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 176 | 177.6 | 85.2 | 0 | 0 | 0 | 112 | F134 W135 F136 R140 I141 K142 | F134-W138 VanDerWaalsContact O-CB 3.27Å; F134-W138 WeakPolarHBondContact O-CB 3.14Å; F134-W138 PolarHBondContact O-N 2.84Å; W135-W138 PolarHBondContact O-N 2.82Å; F136-W138 PolarHBondContact O-N 3.28Å; W138-R140 VanDerWaalsContact C-N 3.34Å; W138-R140 PolarHBondContact O-N 2.89Å; W138-I141 PolarHBondContact O-N 3.45Å; W138-K142 HydrophobicContact CH2-CD 3.51Å; W138-K142 HydrophobicContact CZ2-CD 3.55Å; W138-K142 HydrophobicContact CZ3-CD 4.07Å; W138-K142 WeakPolarHBondContact O-CB 3.27Å; W138-K142 PolarHBondContact O-N 3.29Å |
| 139 | Y | 89.4 | Confident | 84.5 | Confident | 126 Ų | 126 | 108.2 Ų | 108.2 | 49% | 0.494 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 177.6 | -176.6 | -89.1 | 0 | 0 | 0 | 111.1 | W135 F136 K142 Y143 | W135-Y139 WeakPolarHBondContact O-CB 3.33Å; W135-Y139 PolarHBondContact O-N 3.44Å; F136-Y139 PolarHBondContact O-N 2.94Å; Y139-K142 PolarHBondContact O-N 2.92Å; Y139-Y143 HydrophobicContact CD1-CD2 4.19Å; Y139-Y143 AromaticContact CD2-CD2 3.35Å; Y139-Y143 HydrophobicContact CD2-CD2 3.35Å; Y139-Y143 AromaticContact CD2-CE2 3.46Å; Y139-Y143 HydrophobicContact CD2-CE2 3.46Å; Y139-Y143 VanDerWaalsContact CD2-CE2 3.46Å; Y139-Y143 HydrophobicContact CE1-CD2 4.12Å; Y139-Y143 AromaticContact CE2-CD2 3.26Å; Y139-Y143 HydrophobicContact CE2-CD2 3.26Å; Y139-Y143 AromaticContact CE2-CE2 3.38Å; Y139-Y143 HydrophobicContact CE2-CE2 3.38Å; Y139-Y143 HydrophobicContact CE2-CG 4.14Å; Y139-Y143 AromaticContact CG-CD2 3.82Å; Y139-Y143 HydrophobicContact CG-CD2 3.82Å; Y139-Y143 HydrophobicContact CG-CE2 4.32Å; Y139-Y143 AromaticContact CZ-CD2 3.67Å; Y139-Y143 WeakPolarHBondContact O-CD2 3.48Å; Y139-Y143 PolarHBondContact O-N 3.34Å |
| 140 | R | 85 | Confident | 82.9 | Confident | 163 Ų | 163 | 111.8 Ų | 111.8 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -46.7 | 176.1 | -72.1 | -70.5 | -64.9 | -166.6 | 1.1 | 111.5 | F136 A137 W138 K142 C144 | F136-R140 WeakPolarHBondContact O-CB 3.21Å; F136-R140 WeakPolarHBondContact O-CG 3.27Å; F136-R140 PolarHBondContact O-N 3.48Å; A137-R140 PolarHBondContact O-N 3.35Å; W138-R140 VanDerWaalsContact C-N 3.34Å; W138-R140 PolarHBondContact O-N 2.89Å; R140-K142 VanDerWaalsContact C-N 3.31Å; R140-K142 PolarHBondContact O-N 3.34Å; R140-C144 WeakPolarHBondContact O-CB 2.93Å; R140-C144 PolarHBondContact O-N 3Å |
| 141 | I | 82.6 | Confident | 81.1 | Confident | 81 Ų | 81 | 109.4 Ų | 109.4 | 42% | 0.415 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.3 | -71.5 | 165.4 | 0 | 0 | 0 | 111.3 | A137 W138 | A137-I141 WeakPolarHBondContact O-CB 3.39Å; A137-I141 VanDerWaalsContact O-CG1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.32Å; A137-I141 PolarHBondContact O-N 3.45Å; W138-I141 PolarHBondContact O-N 3.45Å |
| 142 | K | 83.9 | Confident | 79.4 | Confident | 91 Ų | 91 | 112.2 Ų | 112.2 | 40% | 0.396 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.8 | -41.5 | -175.8 | -175.5 | 175.7 | 177.5 | -167.2 | 0 | 113.6 | W138 Y139 R140 | W138-K142 HydrophobicContact CH2-CD 3.51Å; W138-K142 HydrophobicContact CZ2-CD 3.55Å; W138-K142 HydrophobicContact CZ3-CD 4.07Å; W138-K142 WeakPolarHBondContact O-CB 3.27Å; W138-K142 PolarHBondContact O-N 3.29Å; Y139-K142 PolarHBondContact O-N 2.92Å; R140-K142 VanDerWaalsContact C-N 3.31Å; R140-K142 PolarHBondContact O-N 3.34Å |
| 143 | Y | 82.9 | Confident | 77.9 | Confident | 124 Ų | 124 | 111.9 Ų | 111.9 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -110.3 | -10.1 | -169.2 | -65.1 | -75.3 | 0 | 0 | 0 | 114.8 | Y139 D145 | Y139-Y143 HydrophobicContact CD1-CD2 4.19Å; Y139-Y143 AromaticContact CD2-CD2 3.35Å; Y139-Y143 HydrophobicContact CD2-CD2 3.35Å; Y139-Y143 AromaticContact CD2-CE2 3.46Å; Y139-Y143 HydrophobicContact CD2-CE2 3.46Å; Y139-Y143 VanDerWaalsContact CD2-CE2 3.46Å; Y139-Y143 HydrophobicContact CE1-CD2 4.12Å; Y139-Y143 AromaticContact CE2-CD2 3.26Å; Y139-Y143 HydrophobicContact CE2-CD2 3.26Å; Y139-Y143 AromaticContact CE2-CE2 3.38Å; Y139-Y143 HydrophobicContact CE2-CE2 3.38Å; Y139-Y143 HydrophobicContact CE2-CG 4.14Å; Y139-Y143 AromaticContact CG-CD2 3.82Å; Y139-Y143 HydrophobicContact CG-CD2 3.82Å; Y139-Y143 HydrophobicContact CG-CE2 4.32Å; Y139-Y143 AromaticContact CZ-CD2 3.67Å; Y139-Y143 WeakPolarHBondContact O-CD2 3.48Å; Y139-Y143 PolarHBondContact O-N 3.34Å; Y143-D145 PolarHBondContact O-N 3.01Å |
| 144 | C | 72.2 | Confident | 76.4 | Confident | 66 Ų | 66 | 112.2 Ų | 112.2 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | trans | -84 | 49.4 | 173.5 | -153 | 0 | 0 | 0 | 0 | 110.5 | R140 | R140-C144 WeakPolarHBondContact O-CB 2.93Å; R140-C144 PolarHBondContact O-N 3Å | ||
| 145 | D | 67.6 | Low | 75 | Confident | 62 Ų | 62 | 111.3 Ų | 111.3 | 33% | 0.332 | 52% | 0.524 | S | S | . | . | trans | -103.7 | 99.5 | 172.5 | -165.7 | 17.1 | 0 | 0 | 0 | 107.5 | Y143 H150 | Y143-D145 PolarHBondContact O-N 3.01Å; D145-H150 WeakPolarHBondContact OD1-CA 3.41Å | ||
| 146 | N | 66.2 | Low | 73.6 | Confident | 94 Ų | 94 | 108.7 Ų | 108.7 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | trans | -88.2 | 137.9 | 171.1 | -73 | 9.3 | 0 | 0 | 0 | 108 | E148 T149 H150 | N146-E148 PolarHBondContact O-N 2.96Å; N146-T149 PolarHBondContact O-N 3.3Å; N146-T149 PolarHBondContact O-OG1 2.66Å; N146-H150 PolarHBondContact O-N 3.5Å | ||
| 147 | W | 66 | Low | 72.5 | Confident | 199 Ų | 199 | 111.4 Ų | 111.4 | 75% | 0.754 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -29.1 | 178.5 | 66.3 | -91.2 | 0 | 0 | 0 | 113.5 | T149 H150 | W147-T149 VanDerWaalsContact C-N 3.29Å; W147-T149 PolarHBondContact O-N 2.77Å; W147-H150 PolarHBondContact O-CD2 3.36Å; W147-H150 PolarHBondContact O-NE2 3.27Å |
| 148 | E | 66.7 | Low | 71.5 | Confident | 134 Ų | 134 | 113.5 Ų | 113.5 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -20.2 | 176.9 | -63.9 | 179 | 174.5 | 0 | 0 | 114.1 | N146 | N146-E148 PolarHBondContact O-N 2.96Š|
| 149 | T | 60.4 | Low | 70.7 | Confident | 71 Ų | 71 | 115.8 Ų | 115.8 | 44% | 0.436 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.8 | -5.3 | -163 | 48.1 | 0 | 0 | 0 | 0 | 116.6 | N146 W147 A151 K155 | N146-T149 PolarHBondContact O-N 3.3Å; N146-T149 PolarHBondContact O-OG1 2.66Å; W147-T149 VanDerWaalsContact C-N 3.29Å; W147-T149 PolarHBondContact O-N 2.77Å; T149-A151 WeakPolarHBondContact O-CB 3.36Å; T149-A151 PolarHBondContact O-N 2.84Å; T149-K155 PolarHBondContact O-NZ 3.37Å; T149-K155 VanDerWaalsContact O-NZ 3.16Å |
| 150 | H | 60 | Low | 69.9 | Low | 149 Ų | 149 | 120 Ų | 120 | 69% | 0.69 | 59% | 0.589 | S | S | * | * | trans | 30.7 | 21.1 | 165.8 | -83.4 | -56.7 | 0 | 0 | 0 | 119.3 | D145 N146 W147 | D145-H150 WeakPolarHBondContact OD1-CA 3.41Å; N146-H150 PolarHBondContact O-N 3.5Å; W147-H150 PolarHBondContact O-CD2 3.36Å; W147-H150 PolarHBondContact O-NE2 3.27Å | ||
| 151 | A | 58.7 | Low | 69.4 | Low | 38 Ų | 38 | 122.3 Ų | 122.3 | 31% | 0.314 | 60% | 0.598 | S | S | . | * | trans | -128.3 | 108.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | T149 S153 | T149-A151 WeakPolarHBondContact O-CB 3.36Å; T149-A151 PolarHBondContact O-N 2.84Å; A151-S153 PolarHBondContact O-N 3Å | ||
| 152 | K | 61.3 | Low | 69.1 | Low | 136 Ų | 136 | 124.6 Ų | 124.6 | 59% | 0.591 | 61% | 0.607 | S | S | * | * | trans | -64.4 | 26.9 | 173 | -62.5 | 177.7 | 178.7 | 172.9 | 0 | 113 | ||||
| 153 | S | 65.3 | Low | 68.9 | Low | 73 Ų | 73 | 124.1 Ų | 124.1 | 51% | 0.51 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -107.4 | 148.5 | -168 | 64.2 | 0 | 0 | 0 | 0 | 112.5 | A151 K155 | A151-S153 PolarHBondContact O-N 3Å; S153-K155 VanDerWaalsContact C-N 3.34Å; S153-K155 PolarHBondContact O-N 3.25Å |
| 154 | V | 66 | Low | 68.9 | Low | 130 Ų | 130 | 125.1 Ų | 125.1 | 79% | 0.788 | 61% | 0.611 | S | S | * | * | trans | -70.1 | 91.2 | 169.4 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | S156 | V154-S156 PolarHBondContact O-N 3.02Š| ||
| 155 | K | 67.8 | Low | 69.4 | Low | 123 Ų | 123 | 126.8 Ų | 126.8 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | trans | -76.3 | 112.3 | 176.8 | -63.7 | -173.1 | -173.3 | 177.3 | 0 | 109.7 | T149 S153 K157 | T149-K155 PolarHBondContact O-NZ 3.37Å; T149-K155 VanDerWaalsContact O-NZ 3.16Å; S153-K155 VanDerWaalsContact C-N 3.34Å; S153-K155 PolarHBondContact O-N 3.25Å; K155-K157 PolarHBondContact O-N 2.88Å | ||
| 156 | S | 67.5 | Low | 70.2 | Confident | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | trans | -85.2 | 105.3 | 164.4 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | V154 A158 | V154-S156 PolarHBondContact O-N 3.02Å; S156-A158 PolarHBondContact O-N 3.3Å | ||
| 157 | K | 71 | Confident | 71 | Confident | 193 Ų | 193 | 127.5 Ų | 127.5 | 84% | 0.839 | 64% | 0.641 | S | S | * | * | trans | -71.6 | 113.8 | 163.7 | -68.7 | -172.6 | -178.9 | -178 | 0 | 105.9 | K155 F159 | K155-K157 PolarHBondContact O-N 2.88Å; K157-F159 PolarHBondContact O-N 3.17Å | ||
| 158 | A | 71.1 | Confident | 71.8 | Confident | 87 Ų | 87 | 124.2 Ų | 124.2 | 72% | 0.719 | 65% | 0.646 | S | S | * | * | trans | -53.5 | 118.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | S156 R160 | S156-A158 PolarHBondContact O-N 3.3Å; A158-R160 PolarHBondContact O-N 3.37Å | ||
| 159 | F | 73.4 | Confident | 72.3 | Confident | 179 Ų | 179 | 121.1 Ų | 121.1 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | trans | -61.2 | 103.3 | 177.9 | 179.2 | -96.8 | 0 | 0 | 0 | 107.5 | K157 R161 | K157-F159 PolarHBondContact O-N 3.17Å; F159-R161 PolarHBondContact O-N 3.16Å | ||
| 160 | R | 72.7 | Confident | 73.1 | Confident | 214 Ų | 214 | 121.1 Ų | 121.1 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | trans | -67.5 | 122.7 | 167.4 | -63.6 | -164.1 | -132.3 | 178.2 | 5 | 105.8 | A158 Q162 | A158-R160 PolarHBondContact O-N 3.37Å; R160-Q162 PolarHBondContact O-N 3.39Å | ||
| 161 | R | 74.7 | Confident | 73.6 | Confident | 211 Ų | 211 | 117.4 Ų | 117.4 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | trans | -54.8 | 136.8 | 172 | -73.1 | -179.7 | 167.3 | 167 | -3.5 | 108 | F159 L163 | F159-R161 PolarHBondContact O-N 3.16Å; R161-L163 PolarHBondContact O-N 2.94Å | ||
| 162 | Q | 75.9 | Confident | 74.1 | Confident | 130 Ų | 130 | 122 Ų | 122 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | trans | -61.4 | 106.3 | 172 | -174 | 168.9 | -6.2 | 0 | 0 | 107.5 | R160 W164 | R160-Q162 PolarHBondContact O-N 3.39Å; Q162-W164 HydrophobicContact CG-CZ2 4.12Å | ||
| 163 | L | 79.2 | Confident | 74.2 | Confident | 80 Ų | 80 | 118.3 Ų | 118.3 | 42% | 0.419 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -83.2 | 130 | 176.2 | -71.5 | 160.7 | 0 | 0 | 0 | 107.4 | R161 Q167 F170 | R161-L163 PolarHBondContact O-N 2.94Å; L163-Q167 HydrophobicContact CD2-CB 4.34Å; L163-F170 HydrophobicContact CB-CB 4.3Å; L163-F170 HydrophobicContact CB-CD2 3.85Å; L163-F170 VanDerWaalsContact O-CD2 3.26Å; L163-F170 WeakPolarHBondContact O-CD2 3.3Å; L163-F170 VanDerWaalsContact O-CE2 3.3Å; L163-F170 WeakPolarHBondContact O-CE2 3.26Å |
| 164 | W | 83.6 | Confident | 73.8 | Confident | 145 Ų | 145 | 126.4 Ų | 126.4 | 55% | 0.549 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -96.1 | 153.3 | 177 | -58.7 | 95.2 | 0 | 0 | 0 | 110.7 | Q162 G166 Q167 F170 | Q162-W164 HydrophobicContact CG-CZ2 4.12Å; W164-G166 PolarHBondContact O-N 3.14Å; W164-G166 VanDerWaalsContact O-N 3.14Å; W164-Q167 PolarHBondContact O-N 3.07Å; W164-F170 WeakPolarHBondContact O-CB 3.29Å; W164-F170 VanDerWaalsContact O-CD2 3.22Å; W164-F170 WeakPolarHBondContact O-CD2 3.22Å; W164-F170 VanDerWaalsContact O-CG 3.29Å; W164-F170 WeakPolarHBondContact O-CG 3.44Å |
| 165 | P | 83.4 | Confident | 73.3 | Confident | 101 Ų | 101 | 127.9 Ų | 127.9 | 66% | 0.656 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.5 | 121.8 | 173.1 | -24.4 | 31.2 | 0 | 0 | 0 | 111.6 | F170 | P165-F170 VanDerWaalsContact CA-CE1 3.49Å; P165-F170 HydrophobicContact CB-CD1 4.42Å; P165-F170 HydrophobicContact CB-CE1 3.89Å; P165-F170 HydrophobicContact CB-CZ 3.96Å; P165-F170 HydrophobicContact CG-CE1 4.02Å; P165-F170 HydrophobicContact CG-CE2 4.05Å; P165-F170 HydrophobicContact CG-CZ 3.56Å |
| 166 | G | 83.4 | Confident | 72.9 | Confident | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.6 | -8.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | W164 | W164-G166 PolarHBondContact O-N 3.14Å; W164-G166 VanDerWaalsContact O-N 3.14Å |
| 167 | Q | 84.1 | Confident | 72.4 | Confident | 90 Ų | 90 | 126.7 Ų | 126.7 | 42% | 0.421 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -77 | 148.1 | 172.6 | -72.7 | -171.4 | -28.9 | 0 | 0 | 112.2 | L163 W164 G169 F170 | L163-Q167 HydrophobicContact CD2-CB 4.34Å; W164-Q167 PolarHBondContact O-N 3.07Å; Q167-G169 PolarHBondContact O-N 3.08Å; Q167-F170 VanDerWaalsContact O-CB 3.25Å; Q167-F170 WeakPolarHBondContact O-CB 3.25Å; Q167-F170 PolarHBondContact O-N 3.3Å |
| 168 | P | 82.8 | Confident | 71.8 | Confident | 130 Ų | 130 | 122.7 Ų | 122.7 | 84% | 0.844 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 123.7 | 174.7 | 24.6 | -32.7 | 0 | 0 | 0 | 110 | ||
| 169 | G | 76 | Confident | 71.3 | Confident | 69 Ų | 69 | 126.7 Ų | 126.7 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.4 | -5.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q167 S171 | Q167-G169 PolarHBondContact O-N 3.08Å; G169-S171 PolarHBondContact O-N 3.2Å |
| 170 | F | 78.4 | Confident | 71 | Confident | 71 Ų | 71 | 121.7 Ų | 121.7 | 31% | 0.311 | 65% | 0.652 | S | S | . | * | trans | -69.2 | 114.6 | 167.9 | -174.9 | -93.4 | 0 | 0 | 0 | 109.3 | L163 W164 P165 Q167 T172 | L163-F170 HydrophobicContact CB-CB 4.3Å; L163-F170 HydrophobicContact CB-CD2 3.85Å; L163-F170 VanDerWaalsContact O-CD2 3.26Å; L163-F170 WeakPolarHBondContact O-CD2 3.3Å; L163-F170 VanDerWaalsContact O-CE2 3.3Å; L163-F170 WeakPolarHBondContact O-CE2 3.26Å; W164-F170 WeakPolarHBondContact O-CB 3.29Å; W164-F170 VanDerWaalsContact O-CD2 3.22Å; W164-F170 WeakPolarHBondContact O-CD2 3.22Å; W164-F170 VanDerWaalsContact O-CG 3.29Å; W164-F170 WeakPolarHBondContact O-CG 3.44Å; P165-F170 VanDerWaalsContact CA-CE1 3.49Å; P165-F170 HydrophobicContact CB-CD1 4.42Å; P165-F170 HydrophobicContact CB-CE1 3.89Å; P165-F170 HydrophobicContact CB-CZ 3.96Å; P165-F170 HydrophobicContact CG-CE1 4.02Å; P165-F170 HydrophobicContact CG-CE2 4.05Å; P165-F170 HydrophobicContact CG-CZ 3.56Å; Q167-F170 VanDerWaalsContact O-CB 3.25Å; Q167-F170 WeakPolarHBondContact O-CB 3.25Å; Q167-F170 PolarHBondContact O-N 3.3Å; F170-T172 PolarHBondContact O-N 2.99Å | ||
| 171 | S | 70.3 | Confident | 70.5 | Confident | 71 Ų | 71 | 115.4 Ų | 115.4 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | trans | -68.6 | 115.7 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | G169 A173 | G169-S171 PolarHBondContact O-N 3.2Å; S171-A173 CarbonylContact C-O 3.54Å; S171-A173 WeakPolarHBondContact CB-O 3.39Å; S171-A173 PolarHBondContact O-N 3.48Å; S171-A173 PolarHBondContact OG-O 3.19Å; S171-A173 VanDerWaalsContact OG-O 3.08Å | ||
| 172 | T | 67.5 | Low | 70.2 | Confident | 134 Ų | 134 | 111.9 Ų | 111.9 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -68.5 | -28.9 | 175 | -21.8 | 0 | 0 | 0 | 0 | 111.9 | F170 | F170-T172 PolarHBondContact O-N 2.99Š|
| 173 | A | 63.4 | Low | 70 | Confident | 59 Ų | 59 | 110.3 Ų | 110.3 | 49% | 0.488 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -73.8 | 128.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | S171 K175 | S171-A173 CarbonylContact C-O 3.54Å; S171-A173 WeakPolarHBondContact CB-O 3.39Å; S171-A173 PolarHBondContact O-N 3.48Å; S171-A173 PolarHBondContact OG-O 3.19Å; S171-A173 VanDerWaalsContact OG-O 3.08Å; A173-K175 PolarHBondContact O-N 3.06Å |
| 174 | W | 57.3 | Low | 69.7 | Low | 243 Ų | 243 | 111.5 Ų | 111.5 | 92% | 0.92 | 62% | 0.623 | S | S | * | * | trans | -52.4 | 91.1 | 145.8 | -5.1 | 72.1 | 0 | 0 | 0 | 105.7 | V176 | W174-V176 PolarHBondContact O-N 3.47Š| ||
| 175 | K | 56.4 | Low | 69.2 | Low | 161 Ų | 161 | 110.3 Ų | 110.3 | 70% | 0.7 | 63% | 0.627 | S | S | * | * | trans | -68.1 | 91.5 | 152.3 | -91.4 | -172.3 | 171 | -173.6 | 0 | 103.4 | A173 D177 | A173-K175 PolarHBondContact O-N 3.06Å; K175-D177 PolarHBondContact O-N 2.67Å | ||
| 176 | V | 59.1 | Low | 68.8 | Low | 102 Ų | 102 | 112.3 Ų | 112.3 | 62% | 0.618 | 63% | 0.626 | S | S | * | * | trans | -54.1 | 107.8 | 141.8 | -174.3 | 0 | 0 | 0 | 0 | 102.1 | W174 D178 | W174-V176 PolarHBondContact O-N 3.47Å; V176-D178 PolarHBondContact O-N 2.81Å | ||
| 177 | D | 56.2 | Low | 68.4 | Low | 109 Ų | 109 | 115.1 Ų | 115.1 | 58% | 0.583 | 61% | 0.611 | S | S | * | * | trans | -58.4 | 98 | 156.9 | -74.7 | -24.4 | 0 | 0 | 0 | 101.9 | K175 F179 | K175-D177 PolarHBondContact O-N 2.67Å; D177-F179 PolarHBondContact O-N 3.03Å | ||
| 178 | D | 58.3 | Low | 67.9 | Low | 110 Ų | 110 | 116.2 Ų | 116.2 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | trans | -64.1 | 86.5 | 174.6 | -106 | -7.9 | 0 | 0 | 0 | 104.7 | V176 G180 M181 E182 | V176-D178 PolarHBondContact O-N 2.81Å; D178-G180 PolarHBondContact O-N 2.73Å; D178-M181 HydrophobicContact CB-CB 4.46Å; D178-M181 PolarHBondContact O-N 3.08Å; D178-E182 PolarHBondContact O-N 2.92Å | ||
| 179 | F | 61.1 | Low | 67.4 | Low | 170 Ų | 170 | 114.5 Ų | 114.5 | 75% | 0.746 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -24.2 | -177.4 | -129.1 | -82.2 | 0 | 0 | 0 | 110 | D177 M181 | D177-F179 PolarHBondContact O-N 3.03Å; F179-M181 VanDerWaalsContact C-N 3.3Å; F179-M181 PolarHBondContact O-N 2.93Å |
| 180 | G | 67.8 | Low | 66.9 | Low | 74 Ų | 74 | 115.9 Ų | 115.9 | 76% | 0.763 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -25 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D178 | D178-G180 PolarHBondContact O-N 2.73Š|
| 181 | M | 61.9 | Low | 66.3 | Low | 82 Ų | 82 | 118.7 Ų | 118.7 | 40% | 0.404 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.7 | -19.1 | -169.5 | -59.4 | -55.8 | -78.5 | 0 | 0 | 115.2 | D178 F179 D183 F184 D185 | D178-M181 HydrophobicContact CB-CB 4.46Å; D178-M181 PolarHBondContact O-N 3.08Å; F179-M181 VanDerWaalsContact C-N 3.3Å; F179-M181 PolarHBondContact O-N 2.93Å; M181-D183 VanDerWaalsContact C-N 3.26Å; M181-D183 PolarHBondContact O-N 3.4Å; M181-F184 WeakPolarHBondContact O-CA 3.43Å; M181-F184 WeakPolarHBondContact O-CB 3.25Å; M181-F184 PolarHBondContact O-N 3.43Å; M181-D185 VanDerWaalsContact CE-OD1 3.26Å; M181-D185 WeakPolarHBondContact CE-OD1 3.43Å |
| 182 | E | 68.7 | Low | 66.2 | Low | 137 Ų | 137 | 117.4 Ų | 117.4 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 29.7 | 53.4 | 176.2 | -70.6 | -165.2 | 167.4 | 0 | 0 | 115.7 | D178 F184 | D178-E182 PolarHBondContact O-N 2.92Å; E182-F184 PolarHBondContact O-N 2.89Å; E182-F184 VanDerWaalsContact O-N 3.08Å |
| 183 | D | 70.8 | Confident | 66.2 | Low | 98 Ų | 98 | 119.4 Ų | 119.4 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 57.9 | 18.8 | -177.8 | -70.6 | -20.8 | 0 | 0 | 0 | 115.7 | M181 D185 K186 R187 | M181-D183 VanDerWaalsContact C-N 3.26Å; M181-D183 PolarHBondContact O-N 3.4Å; D183-D185 VanDerWaalsContact C-N 3.28Å; D183-D185 PolarHBondContact O-N 2.7Å; D183-K186 HydrophobicContact CB-CB 4.41Å; D183-K186 HydrophobicContact CB-CD 3.97Å; D183-K186 HydrophobicContact CB-CG 4.34Å; D183-K186 WeakPolarHBondContact O-CA 3.31Å; D183-K186 VanDerWaalsContact O-CB 3.31Å; D183-K186 WeakPolarHBondContact O-CB 3.26Å; D183-K186 PolarHBondContact O-N 3.11Å; D183-K186 VanDerWaalsContact OD1-CE 3.26Å; D183-K186 WeakPolarHBondContact OD1-CE 3.03Å; D183-K186 IonicContact OD1-NZ 3.11Å; D183-K186 PolarHBondContact OD1-NZ 2.89Å; D183-K186 IonicContact OD2-NZ 3.25Å; D183-K186 PolarHBondContact OD2-NZ 2.92Å; D183-K186 VanDerWaalsContact OD2-NZ 3.11Å; D183-R187 PolarHBondContact O-N 3.36Å |
| 184 | F | 73.2 | Confident | 66 | Low | 104 Ų | 104 | 125.8 Ų | 125.8 | 46% | 0.456 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -57 | -39.9 | 175.8 | -167.9 | -96.6 | 0 | 0 | 0 | 111.7 | M181 E182 K186 R187 L190 | M181-F184 WeakPolarHBondContact O-CA 3.43Å; M181-F184 WeakPolarHBondContact O-CB 3.25Å; M181-F184 PolarHBondContact O-N 3.43Å; E182-F184 PolarHBondContact O-N 2.89Å; E182-F184 VanDerWaalsContact O-N 3.08Å; F184-K186 PolarHBondContact O-N 3.18Å; F184-R187 VanDerWaalsContact O-CB 3.25Å; F184-R187 WeakPolarHBondContact O-CB 3.26Å; F184-R187 PolarHBondContact O-N 3.19Å; F184-L190 HydrophobicContact CE1-CD1 3.96Å; F184-L190 HydrophobicContact CE2-CD1 3.96Å; F184-L190 HydrophobicContact CZ-CD1 3.27Å |
| 185 | D | 73.9 | Confident | 65.9 | Low | 121 Ų | 121 | 119.5 Ų | 119.5 | 65% | 0.647 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -61 | -24.6 | 173.3 | -73.9 | -1.8 | 0 | 0 | 0 | 113.1 | M181 D183 R187 | M181-D185 VanDerWaalsContact CE-OD1 3.26Å; M181-D185 WeakPolarHBondContact CE-OD1 3.43Å; D183-D185 VanDerWaalsContact C-N 3.28Å; D183-D185 PolarHBondContact O-N 2.7Å; D185-R187 VanDerWaalsContact C-N 3.33Å |
| 186 | K | 74.4 | Confident | 66 | Low | 142 Ų | 142 | 118 Ų | 118 | 62% | 0.617 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -83.1 | -10.7 | 174.6 | -56.6 | -179.8 | -174.1 | 153.9 | 0 | 112.5 | D183 F184 T188 | D183-K186 HydrophobicContact CB-CB 4.41Å; D183-K186 HydrophobicContact CB-CD 3.97Å; D183-K186 HydrophobicContact CB-CG 4.34Å; D183-K186 WeakPolarHBondContact O-CA 3.31Å; D183-K186 VanDerWaalsContact O-CB 3.31Å; D183-K186 WeakPolarHBondContact O-CB 3.26Å; D183-K186 PolarHBondContact O-N 3.11Å; D183-K186 VanDerWaalsContact OD1-CE 3.26Å; D183-K186 WeakPolarHBondContact OD1-CE 3.03Å; D183-K186 IonicContact OD1-NZ 3.11Å; D183-K186 PolarHBondContact OD1-NZ 2.89Å; D183-K186 IonicContact OD2-NZ 3.25Å; D183-K186 PolarHBondContact OD2-NZ 2.92Å; D183-K186 VanDerWaalsContact OD2-NZ 3.11Å; F184-K186 PolarHBondContact O-N 3.18Å; K186-T188 PolarHBondContact O-N 2.68Å |
| 187 | R | 74.4 | Confident | 65.9 | Low | 140 Ų | 140 | 118.6 Ų | 118.6 | 53% | 0.528 | 64% | 0.641 | S | S | . | * | trans | -78.9 | 103 | 180 | -60.4 | 179.9 | -173.6 | -131.7 | 3.8 | 109 | D183 F184 D185 A189 | D183-R187 PolarHBondContact O-N 3.36Å; F184-R187 VanDerWaalsContact O-CB 3.25Å; F184-R187 WeakPolarHBondContact O-CB 3.26Å; F184-R187 PolarHBondContact O-N 3.19Å; D185-R187 VanDerWaalsContact C-N 3.33Å; R187-A189 PolarHBondContact O-N 3.21Å | ||
| 188 | T | 73.9 | Confident | 65.9 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -70.7 | -8.4 | 175.2 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | K186 L190 L191 | K186-T188 PolarHBondContact O-N 2.68Å; T188-L190 PolarHBondContact O-N 3.17Å; T188-L190 VanDerWaalsContact O-N 3.14Å; T188-L191 PolarHBondContact O-N 3.14Å; T188-L191 VanDerWaalsContact O-N 3.17Å |
| 189 | A | 72.5 | Confident | 65.7 | Low | 94 Ų | 94 | 117.4 Ų | 117.4 | 78% | 0.777 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -60 | -25.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R187 | R187-A189 PolarHBondContact O-N 3.21Š|
| 190 | L | 65.1 | Low | 64.8 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 51% | 0.508 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -104.4 | -3.9 | -179.5 | -65.5 | 173.1 | 0 | 0 | 0 | 114 | F184 T188 | F184-L190 HydrophobicContact CE1-CD1 3.96Å; F184-L190 HydrophobicContact CE2-CD1 3.96Å; F184-L190 HydrophobicContact CZ-CD1 3.27Å; T188-L190 PolarHBondContact O-N 3.17Å; T188-L190 VanDerWaalsContact O-N 3.14Å |
| 191 | L | 66.1 | Low | 64.6 | Low | 131 Ų | 131 | 119.8 Ų | 119.8 | 69% | 0.686 | 69% | 0.69 | S | S | * | * | trans | -93.5 | 4.3 | -177 | -84.3 | 153.9 | 0 | 0 | 0 | 113.4 | T188 | T188-L191 PolarHBondContact O-N 3.14Å; T188-L191 VanDerWaalsContact O-N 3.17Å | ||
| 192 | G | 69.2 | Low | 64.8 | Low | 43 Ų | 43 | 121.7 Ų | 121.7 | 44% | 0.443 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -82.7 | 137.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K194 L195 | G192-K194 CarbonylContact O-C 3.55Å; G192-K194 PolarHBondContact O-N 3.06Å; G192-L195 PolarHBondContact O-N 2.8Å |
| 193 | D | 67.3 | Low | 64.6 | Low | 177 Ų | 177 | 120.9 Ų | 120.9 | 95% | 0.947 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -53.3 | -20.9 | 177.8 | -67.4 | -18.7 | 0 | 0 | 0 | 114.1 | L195 | D193-L195 VanDerWaalsContact C-N 3.31Å; D193-L195 PolarHBondContact O-N 3.03Å |
| 194 | K | 58.3 | Low | 64.2 | Low | 193 Ų | 193 | 122.2 Ų | 122.2 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | trans | -87.9 | 65.4 | 169.4 | -82.9 | -176 | 173.6 | -179.4 | 0 | 111 | G192 V196 | G192-K194 CarbonylContact O-C 3.55Å; G192-K194 PolarHBondContact O-N 3.06Å; K194-V196 VanDerWaalsContact C-N 3.31Å; K194-V196 PolarHBondContact O-N 3.3Å | ||
| 195 | L | 55.8 | Low | 63.6 | Low | 110 Ų | 110 | 123.4 Ų | 123.4 | 58% | 0.576 | 74% | 0.737 | S | S | * | * | trans | -67.2 | 102.4 | 152.1 | -77.1 | 163.1 | 0 | 0 | 0 | 106 | G192 D193 T197 | G192-L195 PolarHBondContact O-N 2.8Å; D193-L195 VanDerWaalsContact C-N 3.31Å; D193-L195 PolarHBondContact O-N 3.03Å; L195-T197 HydrophobicContact CB-CG2 4.4Å; L195-T197 PolarHBondContact O-N 2.93Å | ||
| 196 | V | 57.6 | Low | 63 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | trans | -70.4 | 75.7 | 167.6 | -172.9 | 0 | 0 | 0 | 0 | 106.2 | K194 S198 | K194-V196 VanDerWaalsContact C-N 3.31Å; K194-V196 PolarHBondContact O-N 3.3Å; V196-S198 VanDerWaalsContact C-N 3.32Å; V196-S198 PolarHBondContact O-N 2.77Å | ||
| 197 | T | 57.1 | Low | 62.1 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -70.9 | 99.4 | 163.1 | 48.5 | 0 | 0 | 0 | 0 | 105.4 | L195 G199 | L195-T197 HydrophobicContact CB-CG2 4.4Å; L195-T197 PolarHBondContact O-N 2.93Å; T197-G199 PolarHBondContact O-N 3.25Å | ||
| 198 | S | 56.5 | Low | 61.2 | Low | 123 Ų | 123 | 120.8 Ų | 120.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -63.2 | 82.2 | 167.5 | 53.6 | 0 | 0 | 0 | 0 | 107.9 | V196 | V196-S198 VanDerWaalsContact C-N 3.32Å; V196-S198 PolarHBondContact O-N 2.77Å |
| 199 | G | 54.1 | Low | 60.2 | Low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -171.1 | 9.4 | -170 | 0 | 0 | 0 | 0 | 0 | 117.3 | T197 | T197-G199 PolarHBondContact O-N 3.25Š| ||
| 200 | A | 42.3 | Very low | 59 | Low | 174 Ų | 174 | 123.9 Ų | 123.9 | 100% | 1.438 | 77% | 0.774 | S | S | * | * | trans | -142.1 | 0 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 200 of 200 residues in 54 ms
(Link to these results)