| 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 | 45.4 | Very low | 53.7 | Low | 227 Ų | 227 | 134.2 Ų | 134.2 | 100% | 1.118 | 80% | 0.799 | S | S | * | * | 0 | 100.9 | 0 | -108.8 | 60 | -177.1 | 0 | 0 | 106.7 | |||||
| 2 | G | 49.5 | Very low | 53.6 | Low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -101.5 | 112.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | D | 54.3 | Low | 53.5 | Low | 155 Ų | 155 | 129.1 Ų | 129.1 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -91 | 108.9 | 175 | -66.1 | -37.7 | 0 | 0 | 0 | 107.9 | E5 | D3-E5 PolarHBondContact O-N 3.45Š| ||
| 4 | I | 60.2 | Low | 53.4 | Low | 160 Ų | 160 | 130 Ų | 130 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | -74 | 106.4 | 170.5 | -83.6 | 157.1 | 0 | 0 | 0 | 106.9 | A6 | I4-A6 PolarHBondContact O-N 3.42Š| ||
| 5 | E | 57.5 | Low | 53.5 | Low | 197 Ų | 197 | 125.8 Ų | 125.8 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -83.1 | 105 | 162.1 | -114.4 | 173.3 | 113.7 | 0 | 0 | 107.8 | D3 | D3-E5 PolarHBondContact O-N 3.45Š| ||
| 6 | A | 61.6 | Low | 53.7 | Low | 79 Ų | 79 | 122.8 Ų | 122.8 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 131 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | I4 | I4-A6 PolarHBondContact O-N 3.42Š|
| 7 | P | 55.3 | Low | 53.7 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 133.2 | 178.8 | 30.2 | -31.3 | 0 | 0 | 0 | 110.5 | T9 | P7-T9 PolarHBondContact O-N 3.13Š|
| 8 | D | 51.5 | Low | 54 | Low | 156 Ų | 156 | 123.4 Ų | 123.4 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 121.8 | 175.2 | -83.1 | -42.6 | 0 | 0 | 0 | 111.9 | T10 | D8-T10 VanDerWaalsContact C-N 3.29Å; D8-T10 PolarHBondContact O-N 3.25Å |
| 9 | T | 53 | Low | 54.1 | Low | 142 Ų | 142 | 121.3 Ų | 121.3 | 87% | 0.871 | 71% | 0.712 | S | S | * | * | trans | -77.1 | 76.1 | 169.8 | 35.7 | 0 | 0 | 0 | 0 | 110 | P7 G11 | P7-T9 PolarHBondContact O-N 3.13Å; T9-G11 PolarHBondContact O-N 2.92Å | ||
| 10 | T | 51.8 | Low | 54.1 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | trans | -68.2 | 100.9 | 163.2 | 40.5 | 0 | 0 | 0 | 0 | 109 | D8 | D8-T10 VanDerWaalsContact C-N 3.29Å; D8-T10 PolarHBondContact O-N 3.25Å | ||
| 11 | G | 50.3 | Low | 54.3 | Low | 45 Ų | 45 | 120.5 Ų | 120.5 | 46% | 0.464 | 70% | 0.7 | S | S | . | * | trans | -62 | 151.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | T9 S13 | T9-G11 PolarHBondContact O-N 2.92Å; G11-S13 PolarHBondContact O-N 3Å | ||
| 12 | P | 52.9 | Low | 54.9 | Low | 110 Ų | 110 | 113 Ų | 113 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 5.2 | -176.6 | 27.6 | -36 | 0 | 0 | 0 | 115.2 | S15 V16 | P12-S15 PolarHBondContact O-OG 3.36Å; P12-V16 WeakPolarHBondContact O-CG2 3.36Å |
| 13 | S | 51.7 | Low | 55.2 | Low | 92 Ų | 92 | 114.6 Ų | 114.6 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.7 | -28.8 | -172.8 | -155.6 | 0 | 0 | 0 | 0 | 113 | G11 | G11-S13 PolarHBondContact O-N 3Å |
| 14 | Q | 52.3 | Low | 55.3 | Low | 142 Ų | 142 | 109.4 Ų | 109.4 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77 | -33.8 | -177.7 | -72.5 | -163.4 | -43.7 | 0 | 0 | 113.5 | Q18 | Q14-Q18 WeakPolarHBondContact O-CG 3.45Å; Q14-Q18 PolarHBondContact O-N 2.94Å |
| 15 | S | 55.8 | Low | 55.2 | Low | 67 Ų | 67 | 109.7 Ų | 109.7 | 47% | 0.469 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.8 | -34.9 | 179.7 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | P12 T19 | P12-S15 PolarHBondContact O-OG 3.36Å; S15-T19 WeakPolarHBondContact O-CB 3.38Å; S15-T19 PolarHBondContact O-N 3.04Å; S15-T19 PolarHBondContact O-OG1 3.42Å |
| 16 | V | 56.3 | Low | 55.4 | Low | 78 Ų | 78 | 107.9 Ų | 107.9 | 47% | 0.473 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.8 | -45.8 | 178.7 | 178.4 | 0 | 0 | 0 | 0 | 111 | P12 Q18 T19 I20 | P12-V16 WeakPolarHBondContact O-CG2 3.36Å; V16-Q18 PolarHBondContact O-N 3.24Å; V16-T19 PolarHBondContact O-N 3.34Å; V16-I20 HydrophobicContact CG1-CD1 3.6Å; V16-I20 HydrophobicContact CG1-CG1 4.32Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 WeakPolarHBondContact O-CG1 3.49Å; V16-I20 PolarHBondContact O-N 2.87Å |
| 17 | L | 54.1 | Low | 55.2 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 60% | 0.602 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.8 | -36 | 178.6 | -63.6 | -164.3 | 0 | 0 | 0 | 112.8 | T19 L21 | L17-T19 VanDerWaalsContact C-N 3.31Å; L17-T19 PolarHBondContact O-N 2.99Å; L17-L21 WeakPolarHBondContact O-CB 3.36Å; L17-L21 PolarHBondContact O-N 3.03Å; L17-L21 VanDerWaalsContact O-N 3.12Å |
| 18 | Q | 58.7 | Low | 55.4 | Low | 141 Ų | 141 | 102.1 Ų | 102.1 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.8 | -26.3 | 176.5 | -72.4 | -179.6 | -3.2 | 0 | 0 | 113.2 | Q14 V16 P22 | Q14-Q18 WeakPolarHBondContact O-CG 3.45Å; Q14-Q18 PolarHBondContact O-N 2.94Å; V16-Q18 PolarHBondContact O-N 3.24Å; Q18-P22 WeakPolarHBondContact O-CD 2.99Å |
| 19 | T | 55.5 | Low | 55.8 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -84.9 | -33.5 | 176.8 | -49.2 | 0 | 0 | 0 | 0 | 111.8 | S15 V16 L17 P22 I23 | S15-T19 WeakPolarHBondContact O-CB 3.38Å; S15-T19 PolarHBondContact O-N 3.04Å; S15-T19 PolarHBondContact O-OG1 3.42Å; V16-T19 PolarHBondContact O-N 3.34Å; L17-T19 VanDerWaalsContact C-N 3.31Å; L17-T19 PolarHBondContact O-N 2.99Å; T19-P22 WeakPolarHBondContact O-CD 3.33Å; T19-P22 WeakPolarHBondContact O-CG 3.47Å; T19-I23 HydrophobicContact CG2-CD1 4.28Å; T19-I23 WeakPolarHBondContact O-CD1 3.27Å |
| 20 | I | 55.2 | Low | 56.8 | Low | 92 Ų | 92 | 94.4 Ų | 94.4 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.1 | -33 | 177.3 | -67.7 | 176.3 | 0 | 0 | 0 | 111.6 | V16 I23 A24 | V16-I20 HydrophobicContact CG1-CD1 3.6Å; V16-I20 HydrophobicContact CG1-CG1 4.32Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 WeakPolarHBondContact O-CG1 3.49Å; V16-I20 PolarHBondContact O-N 2.87Å; I20-I23 PolarHBondContact O-N 3.4Å; I20-A24 HydrophobicContact CG2-CB 4.46Å; I20-A24 WeakPolarHBondContact O-CB 3.24Å; I20-A24 PolarHBondContact O-N 3.18Å |
| 21 | L | 57.9 | Low | 57.9 | Low | 134 Ų | 134 | 97 Ų | 97 | 70% | 0.702 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57.5 | -49.1 | -178.7 | -149.1 | 97.7 | 0 | 0 | 0 | 114.6 | L17 K25 | L17-L21 WeakPolarHBondContact O-CB 3.36Å; L17-L21 PolarHBondContact O-N 3.03Å; L17-L21 VanDerWaalsContact O-N 3.12Å; L21-K25 VanDerWaalsContact O-CB 3.29Å; L21-K25 WeakPolarHBondContact O-CB 3.2Å; L21-K25 PolarHBondContact O-N 3.25Å |
| 22 | P | 57.3 | Low | 59.2 | Low | 70 Ų | 70 | 99.3 Ų | 99.3 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.4 | -34.9 | 177.8 | 27.1 | -34.4 | 0 | 0 | 0 | 112.7 | Q18 T19 K25 E26 | Q18-P22 WeakPolarHBondContact O-CD 2.99Å; T19-P22 WeakPolarHBondContact O-CD 3.33Å; T19-P22 WeakPolarHBondContact O-CG 3.47Å; P22-K25 PolarHBondContact O-N 2.87Å; P22-E26 PolarHBondContact O-N 3.34Å |
| 23 | I | 56.4 | Low | 60.5 | Low | 105 Ų | 105 | 94 Ų | 94 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 175.6 | -76.3 | 163.4 | 0 | 0 | 0 | 110.2 | T19 I20 K25 E26 F27 | T19-I23 HydrophobicContact CG2-CD1 4.28Å; T19-I23 WeakPolarHBondContact O-CD1 3.27Å; I20-I23 PolarHBondContact O-N 3.4Å; I23-K25 PolarHBondContact O-N 3.16Å; I23-E26 PolarHBondContact O-N 2.96Å; I23-F27 WeakPolarHBondContact O-CB 3.39Å; I23-F27 PolarHBondContact O-N 2.79Å |
| 24 | A | 56.9 | Low | 61.9 | Low | 45 Ų | 45 | 94.6 Ų | 94.6 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -32.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I20 A28 | I20-A24 HydrophobicContact CG2-CB 4.46Å; I20-A24 WeakPolarHBondContact O-CB 3.24Å; I20-A24 PolarHBondContact O-N 3.18Å; A24-A28 WeakPolarHBondContact O-CA 3.39Å; A24-A28 WeakPolarHBondContact O-CB 3.21Å; A24-A28 PolarHBondContact O-N 3.33Å |
| 25 | K | 56.8 | Low | 63.5 | Low | 166 Ų | 166 | 88.9 Ų | 88.9 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -72 | -41.5 | 175.8 | -173.3 | -178.2 | 173.9 | -174.2 | 0 | 112.8 | L21 P22 I23 S29 | L21-K25 VanDerWaalsContact O-CB 3.29Å; L21-K25 WeakPolarHBondContact O-CB 3.2Å; L21-K25 PolarHBondContact O-N 3.25Å; P22-K25 PolarHBondContact O-N 2.87Å; I23-K25 PolarHBondContact O-N 3.16Å; K25-S29 PolarHBondContact O-N 3.48Å |
| 26 | E | 62.1 | Low | 65 | Low | 160 Ų | 160 | 86.3 Ų | 86.3 | 75% | 0.748 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.3 | -42 | 172.1 | -82.1 | -110.8 | 133.8 | 0 | 0 | 111.4 | P22 I23 S29 S30 | P22-E26 PolarHBondContact O-N 3.34Å; I23-E26 PolarHBondContact O-N 2.96Å; E26-S29 WeakPolarHBondContact O-CA 3.24Å; E26-S29 WeakPolarHBondContact O-CB 3.49Å; E26-S29 PolarHBondContact O-N 3.46Å; E26-S30 PolarHBondContact O-N 3.46Å |
| 27 | F | 58.1 | Low | 66.5 | Low | 44 Ų | 44 | 85.9 Ų | 85.9 | 19% | 0.193 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 178.6 | -148.4 | -99.7 | 0 | 0 | 0 | 112.2 | I23 S29 S30 L73 Y76 S77 | I23-F27 WeakPolarHBondContact O-CB 3.39Å; I23-F27 PolarHBondContact O-N 2.79Å; F27-S29 PolarHBondContact O-N 2.89Å; F27-S30 PolarHBondContact O-N 3Å; F27-L73 HydrophobicContact CE1-CD1 4.22Å; F27-Y76 HydrophobicContact CD1-CD1 4.38Å; F27-Y76 HydrophobicContact CD1-CE1 4.31Å; F27-Y76 HydrophobicContact CD2-CE1 4.46Å; F27-Y76 AromaticContact CE1-CD1 3.3Å; F27-Y76 HydrophobicContact CE1-CD1 3.3Å; F27-Y76 AromaticContact CE1-CE1 3.6Å; F27-Y76 HydrophobicContact CE1-CE1 3.6Å; F27-Y76 HydrophobicContact CE1-CG 4.44Å; F27-Y76 AromaticContact CE2-CD1 3.83Å; F27-Y76 HydrophobicContact CE2-CD1 3.83Å; F27-Y76 AromaticContact CE2-CE1 3.76Å; F27-Y76 HydrophobicContact CE2-CE1 3.76Å; F27-Y76 AromaticContact CZ-CD1 2.96Å; F27-Y76 HydrophobicContact CZ-CD1 2.96Å; F27-Y76 AromaticContact CZ-CE1 3.3Å; F27-Y76 HydrophobicContact CZ-CE1 3.3Å; F27-Y76 AromaticContact CZ-CG 3.84Å; F27-Y76 HydrophobicContact CZ-CG 3.84Å; F27-S77 VanDerWaalsContact CZ-OG 3.24Å; F27-S77 WeakPolarHBondContact CZ-OG 3.45Å |
| 28 | A | 58.7 | Low | 68.1 | Low | 35 Ų | 35 | 82 Ų | 82 | 29% | 0.289 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -4.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A24 Q34 I37 | A24-A28 WeakPolarHBondContact O-CA 3.39Å; A24-A28 WeakPolarHBondContact O-CB 3.21Å; A24-A28 PolarHBondContact O-N 3.33Å; A28-Q34 VanDerWaalsContact O-CD 3.26Å; A28-Q34 WeakPolarHBondContact O-CG 3.41Å; A28-Q34 PolarHBondContact O-NE2 3.35Å; A28-I37 HydrophobicContact CB-CD1 4.09Å |
| 29 | S | 59.1 | Low | 69.6 | Low | 94 Ų | 94 | 75.3 Ų | 75.3 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -27.7 | 169.5 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | K25 E26 F27 R31 | K25-S29 PolarHBondContact O-N 3.48Å; E26-S29 WeakPolarHBondContact O-CA 3.24Å; E26-S29 WeakPolarHBondContact O-CB 3.49Å; E26-S29 PolarHBondContact O-N 3.46Å; F27-S29 PolarHBondContact O-N 2.89Å; S29-R31 PolarHBondContact O-N 3.35Å |
| 30 | S | 74 | Confident | 71.3 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -69.6 | 128.3 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | E26 F27 K32 G33 Q34 Y76 | E26-S30 PolarHBondContact O-N 3.46Å; F27-S30 PolarHBondContact O-N 3Å; S30-K32 VanDerWaalsContact C-N 3.25Å; S30-K32 PolarHBondContact O-N 3.2Å; S30-G33 WeakPolarHBondContact O-CA 3.38Å; S30-G33 PolarHBondContact O-N 3.46Å; S30-Q34 PolarHBondContact O-N 3.39Å; S30-Y76 PolarHBondContact OG-OH 3.45Å |
| 31 | R | 75 | Confident | 72.9 | Confident | 176 Ų | 176 | 70 Ų | 70 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -57.7 | -35.8 | -177 | -147.6 | 176.5 | -169.5 | -179.7 | 1.6 | 112.9 | S29 L35 | S29-R31 PolarHBondContact O-N 3.35Å; R31-L35 PolarHBondContact O-N 2.96Å |
| 32 | K | 78.1 | Confident | 74.4 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 40% | 0.404 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72.5 | -38.5 | 174.8 | -69.3 | -170.4 | 175.3 | -175.6 | 0 | 112.2 | S30 L35 L36 D144 | S30-K32 VanDerWaalsContact C-N 3.25Å; S30-K32 PolarHBondContact O-N 3.2Å; K32-L35 PolarHBondContact O-N 3.42Å; K32-L36 PolarHBondContact O-N 3.13Å; K32-L36 VanDerWaalsContact O-N 3.14Å; K32-D144 IonicContact NZ-OD2 2.67Å; K32-D144 PolarHBondContact NZ-OD2 3.06Å |
| 33 | G | 80.1 | Confident | 76 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S30 L36 I37 | S30-G33 WeakPolarHBondContact O-CA 3.38Å; S30-G33 PolarHBondContact O-N 3.46Å; G33-L36 PolarHBondContact O-N 2.96Å; G33-I37 WeakPolarHBondContact O-CB 3.06Å; G33-I37 WeakPolarHBondContact O-CD1 3.49Å; G33-I37 WeakPolarHBondContact O-CG1 3.36Å; G33-I37 PolarHBondContact O-N 3.29Å |
| 34 | Q | 82.4 | Confident | 77.6 | Confident | 103 Ų | 103 | 59.4 Ų | 59.4 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.6 | -71.1 | -177.8 | -7.5 | 0 | 0 | 112.8 | A28 S30 I37 A38 | A28-Q34 VanDerWaalsContact O-CD 3.26Å; A28-Q34 WeakPolarHBondContact O-CG 3.41Å; A28-Q34 PolarHBondContact O-NE2 3.35Å; S30-Q34 PolarHBondContact O-N 3.39Å; Q34-I37 PolarHBondContact O-N 3.22Å; Q34-A38 VanDerWaalsContact O-CB 3.32Å; Q34-A38 WeakPolarHBondContact O-CB 3.47Å; Q34-A38 PolarHBondContact O-N 3.45Å |
| 35 | L | 85.4 | Confident | 79.3 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 177.9 | -77.9 | 159.9 | 0 | 0 | 0 | 111 | R31 K32 I37 A38 E39 V133 L136 D137 F140 | R31-L35 PolarHBondContact O-N 2.96Å; K32-L35 PolarHBondContact O-N 3.42Å; L35-I37 VanDerWaalsContact C-N 3.34Å; L35-I37 PolarHBondContact O-N 2.92Å; L35-A38 WeakPolarHBondContact O-CB 2.95Å; L35-A38 PolarHBondContact O-N 3.18Å; L35-A38 VanDerWaalsContact O-N 3.1Å; L35-E39 WeakPolarHBondContact O-CG 2.95Å; L35-E39 PolarHBondContact O-N 3.02Å; L35-V133 HydrophobicContact CD2-CG1 4.28Å; L35-L136 HydrophobicContact CD2-CB 4.36Å; L35-D137 WeakPolarHBondContact CB-OD1 3.32Å; L35-D137 HydrophobicContact CD2-CB 4.41Å; L35-F140 HydrophobicContact CD1-CD2 3.69Å; L35-F140 HydrophobicContact CD1-CE2 4.17Å; L35-F140 HydrophobicContact CD1-CG 4.35Å |
| 36 | L | 86.4 | Confident | 80.9 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 175.4 | -87.9 | 163.9 | 0 | 0 | 0 | 112.8 | K32 G33 A38 E39 V40 L72 L73 Y76 | K32-L36 PolarHBondContact O-N 3.13Å; K32-L36 VanDerWaalsContact O-N 3.14Å; G33-L36 PolarHBondContact O-N 2.96Å; L36-A38 VanDerWaalsContact C-N 3.34Å; L36-E39 PolarHBondContact O-N 2.96Å; L36-V40 VanDerWaalsContact O-CG2 3.29Å; L36-V40 WeakPolarHBondContact O-CG2 3.43Å; L36-V40 PolarHBondContact O-N 3.06Å; L36-L72 HydrophobicContact CD2-CB 3.81Å; L36-L73 HydrophobicContact CB-CD1 4.14Å; L36-Y76 HydrophobicContact CD1-CD1 4.16Å; L36-Y76 HydrophobicContact CD1-CG 4.37Å |
| 37 | I | 87.5 | Confident | 82.2 | Confident | 69 Ų | 69 | 47.1 Ų | 47.1 | 35% | 0.354 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 177.1 | -69.2 | 165.4 | 0 | 0 | 0 | 110.7 | A28 G33 Q34 L35 V40 A41 L73 | A28-I37 HydrophobicContact CB-CD1 4.09Å; G33-I37 WeakPolarHBondContact O-CB 3.06Å; G33-I37 WeakPolarHBondContact O-CD1 3.49Å; G33-I37 WeakPolarHBondContact O-CG1 3.36Å; G33-I37 PolarHBondContact O-N 3.29Å; Q34-I37 PolarHBondContact O-N 3.22Å; L35-I37 VanDerWaalsContact C-N 3.34Å; L35-I37 PolarHBondContact O-N 2.92Å; I37-V40 PolarHBondContact O-N 2.72Å; I37-A41 WeakPolarHBondContact O-CB 3.21Å; I37-A41 PolarHBondContact O-N 3.17Å; I37-L73 HydrophobicContact CG1-CD1 4.02Å |
| 38 | A | 89.1 | Confident | 83.8 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 28% | 0.281 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q34 L35 L36 A41 L42 V133 | Q34-A38 VanDerWaalsContact O-CB 3.32Å; Q34-A38 WeakPolarHBondContact O-CB 3.47Å; Q34-A38 PolarHBondContact O-N 3.45Å; L35-A38 WeakPolarHBondContact O-CB 2.95Å; L35-A38 PolarHBondContact O-N 3.18Å; L35-A38 VanDerWaalsContact O-N 3.1Å; L36-A38 VanDerWaalsContact C-N 3.34Å; A38-A41 PolarHBondContact O-N 3.2Å; A38-L42 VanDerWaalsContact O-CB 3.29Å; A38-L42 WeakPolarHBondContact O-CB 3.45Å; A38-L42 VanDerWaalsContact O-CG 3.3Å; A38-L42 WeakPolarHBondContact O-CG 3.49Å; A38-L42 PolarHBondContact O-N 3.43Å; A38-V133 HydrophobicContact CB-CG1 4.02Å |
| 39 | E | 89.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 175.3 | -72.3 | -177.5 | 175.7 | 0 | 0 | 112.4 | L35 L36 A41 L42 S43 R96 V133 F134 D137 | L35-E39 WeakPolarHBondContact O-CG 2.95Å; L35-E39 PolarHBondContact O-N 3.02Å; L36-E39 PolarHBondContact O-N 2.96Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 3.32Å; E39-L42 PolarHBondContact O-N 2.67Å; E39-S43 VanDerWaalsContact O-CB 3.26Å; E39-S43 WeakPolarHBondContact O-CB 3.36Å; E39-S43 PolarHBondContact O-N 2.79Å; E39-S43 PolarHBondContact O-OG 3.29Å; E39-R96 IonicContact OE2-CZ 3.55Å; E39-R96 IonicContact OE2-NH1 3.5Å; E39-R96 PolarHBondContact OE2-NH1 3.32Å; E39-R96 IonicContact OE2-NH2 2.71Å; E39-R96 PolarHBondContact OE2-NH2 2.88Å; E39-V133 HydrophobicContact CG-CG1 3.98Å; E39-F134 HydrophobicContact CB-CE1 3.96Å; E39-F134 HydrophobicContact CB-CZ 3.94Å; E39-F134 HydrophobicContact CG-CD1 3.86Å; E39-F134 HydrophobicContact CG-CE1 3.58Å; E39-F134 HydrophobicContact CG-CE2 4.5Å; E39-F134 HydrophobicContact CG-CG 4.43Å; E39-F134 HydrophobicContact CG-CZ 3.91Å; E39-F134 WeakPolarHBondContact OE1-CD1 3.45Å; E39-F134 WeakPolarHBondContact OE1-CE1 3.39Å; E39-F134 VanDerWaalsContact OE2-CE1 3.27Å; E39-F134 WeakPolarHBondContact OE2-CE1 3.24Å; E39-D137 WeakPolarHBondContact OE1-CB 3.48Å; E39-D137 VanDerWaalsContact OE1-CG 3.26Å |
| 40 | V | 91.1 | Very high | 86.5 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.8 | 172 | 0 | 0 | 0 | 0 | 110.4 | L36 I37 S43 L44 F66 A69 L70 | L36-V40 VanDerWaalsContact O-CG2 3.29Å; L36-V40 WeakPolarHBondContact O-CG2 3.43Å; L36-V40 PolarHBondContact O-N 3.06Å; I37-V40 PolarHBondContact O-N 2.72Å; V40-S43 WeakPolarHBondContact CA-OG 3.43Å; V40-S43 PolarHBondContact O-OG 3.37Å; V40-L44 VanDerWaalsContact O-CB 3.24Å; V40-L44 WeakPolarHBondContact O-CB 3.32Å; V40-L44 PolarHBondContact O-N 2.76Å; V40-F66 HydrophobicContact CG1-CD2 4.14Å; V40-F66 HydrophobicContact CG1-CE2 3.72Å; V40-A69 HydrophobicContact CG2-CB 3.58Å; V40-L70 HydrophobicContact CG1-CD2 3.72Å; V40-L70 HydrophobicContact CG1-CG 4.33Å; V40-L70 HydrophobicContact CG2-CD2 4.27Å |
| 41 | A | 89.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.5 | -46.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I37 A38 E39 L44 I45 | I37-A41 WeakPolarHBondContact O-CB 3.21Å; I37-A41 PolarHBondContact O-N 3.17Å; A38-A41 PolarHBondContact O-N 3.2Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 3.32Å; A41-L44 PolarHBondContact O-N 2.8Å; A41-I45 VanDerWaalsContact O-CG1 3.25Å; A41-I45 WeakPolarHBondContact O-CG1 3.06Å; A41-I45 PolarHBondContact O-N 3.02Å |
| 42 | L | 89.3 | Confident | 87.8 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.4 | -39.7 | -178.3 | -75.7 | 165.8 | 0 | 0 | 0 | 112.5 | A38 E39 T46 F126 I129 A130 V133 | A38-L42 VanDerWaalsContact O-CB 3.29Å; A38-L42 WeakPolarHBondContact O-CB 3.45Å; A38-L42 VanDerWaalsContact O-CG 3.3Å; A38-L42 WeakPolarHBondContact O-CG 3.49Å; A38-L42 PolarHBondContact O-N 3.43Å; E39-L42 PolarHBondContact O-N 2.67Å; L42-T46 VanDerWaalsContact O-CB 3.32Å; L42-T46 WeakPolarHBondContact O-CB 3.48Å; L42-T46 PolarHBondContact O-N 3.49Å; L42-T46 PolarHBondContact O-OG1 3.06Å; L42-F126 HydrophobicContact CD2-CD1 4.49Å; L42-I129 HydrophobicContact CD1-CG2 4.09Å; L42-I129 HydrophobicContact CD2-CB 4.38Å; L42-I129 HydrophobicContact CD2-CG2 3.92Å; L42-A130 HydrophobicContact CB-CB 4Å; L42-V133 HydrophobicContact CD1-CB 3.94Å; L42-V133 HydrophobicContact CD1-CG1 4.31Å; L42-V133 HydrophobicContact CD1-CG2 3.54Å |
| 43 | S | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 174 | 56 | 0 | 0 | 0 | 0 | 111.4 | E39 V40 T46 F47 | E39-S43 VanDerWaalsContact O-CB 3.26Å; E39-S43 WeakPolarHBondContact O-CB 3.36Å; E39-S43 PolarHBondContact O-N 2.79Å; E39-S43 PolarHBondContact O-OG 3.29Å; V40-S43 WeakPolarHBondContact CA-OG 3.43Å; V40-S43 PolarHBondContact O-OG 3.37Å; S43-T46 PolarHBondContact O-N 3.26Å; S43-F47 VanDerWaalsContact O-CB 3.22Å; S43-F47 WeakPolarHBondContact O-CB 3.47Å; S43-F47 PolarHBondContact O-N 3.1Å |
| 44 | L | 91.4 | Very high | 87.9 | Confident | 66 Ų | 66 | 43.3 Ų | 43.3 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 175.4 | -177.5 | 62.7 | 0 | 0 | 0 | 112.6 | V40 A41 T46 F47 I48 F66 | V40-L44 VanDerWaalsContact O-CB 3.24Å; V40-L44 WeakPolarHBondContact O-CB 3.32Å; V40-L44 PolarHBondContact O-N 2.76Å; A41-L44 PolarHBondContact O-N 2.8Å; L44-T46 VanDerWaalsContact C-N 3.33Å; L44-T46 PolarHBondContact O-N 3.26Å; L44-F47 WeakPolarHBondContact O-CB 3.18Å; L44-F47 PolarHBondContact O-N 3.43Å; L44-I48 HydrophobicContact CD1-CD1 4.1Å; L44-I48 HydrophobicContact CD1-CG1 4.4Å; L44-I48 HydrophobicContact CG-CD1 4.01Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.14Å; L44-F66 HydrophobicContact CB-CD2 3.86Å; L44-F66 HydrophobicContact CB-CE2 3.75Å; L44-F66 HydrophobicContact CD1-CD2 4.35Å; L44-F66 HydrophobicContact CD1-CE1 4.44Å; L44-F66 HydrophobicContact CD1-CE2 3.88Å; L44-F66 HydrophobicContact CD1-CZ 3.92Å; L44-F66 HydrophobicContact CD2-CE2 4.29Å; L44-F66 HydrophobicContact CG-CE2 4.18Å |
| 45 | I | 91.9 | Very high | 87.6 | Confident | 67 Ų | 67 | 38.4 Ų | 38.4 | 34% | 0.344 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 178.3 | -69.7 | 164.7 | 0 | 0 | 0 | 109.7 | A41 F47 I48 C49 F126 | A41-I45 VanDerWaalsContact O-CG1 3.25Å; A41-I45 WeakPolarHBondContact O-CG1 3.06Å; A41-I45 PolarHBondContact O-N 3.02Å; I45-F47 VanDerWaalsContact C-N 3.33Å; I45-F47 PolarHBondContact O-N 3.14Å; I45-I48 PolarHBondContact O-N 2.86Å; I45-C49 PolarHBondContact O-N 3.36Å; I45-C49 PolarHBondContact O-SG 3.45Å; I45-F126 HydrophobicContact CG2-CB 4.24Å; I45-F126 HydrophobicContact CG2-CD1 4.02Å; I45-F126 HydrophobicContact CG2-CD2 3.66Å; I45-F126 HydrophobicContact CG2-CE1 4.29Å; I45-F126 HydrophobicContact CG2-CE2 3.96Å; I45-F126 HydrophobicContact CG2-CG 3.71Å; I45-F126 HydrophobicContact CG2-CZ 4.27Å |
| 46 | T | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | -179.9 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | L42 S43 L44 C49 F50 P62 F104 | L42-T46 VanDerWaalsContact O-CB 3.32Å; L42-T46 WeakPolarHBondContact O-CB 3.48Å; L42-T46 PolarHBondContact O-N 3.49Å; L42-T46 PolarHBondContact O-OG1 3.06Å; S43-T46 PolarHBondContact O-N 3.26Å; L44-T46 VanDerWaalsContact C-N 3.33Å; L44-T46 PolarHBondContact O-N 3.26Å; T46-C49 PolarHBondContact O-N 3.37Å; T46-F50 HydrophobicContact CG2-CD2 3.66Å; T46-F50 HydrophobicContact CG2-CE2 3.49Å; T46-F50 VanDerWaalsContact CG2-CE2 3.49Å; T46-F50 VanDerWaalsContact O-CD2 3.24Å; T46-F50 WeakPolarHBondContact O-CD2 3.15Å; T46-F50 PolarHBondContact O-N 2.96Å; T46-P62 HydrophobicContact CG2-CG 4.22Å; T46-F104 HydrophobicContact CG2-CD1 4.14Å; T46-F104 HydrophobicContact CG2-CE1 3.66Å |
| 47 | F | 90.9 | Very high | 86.9 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 20% | 0.197 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.7 | -51.6 | 173.6 | 170.2 | -103.8 | 0 | 0 | 0 | 111.9 | S43 L44 I45 C49 F50 V51 V59 P62 L63 | S43-F47 VanDerWaalsContact O-CB 3.22Å; S43-F47 WeakPolarHBondContact O-CB 3.47Å; S43-F47 PolarHBondContact O-N 3.1Å; L44-F47 WeakPolarHBondContact O-CB 3.18Å; L44-F47 PolarHBondContact O-N 3.43Å; I45-F47 VanDerWaalsContact C-N 3.33Å; I45-F47 PolarHBondContact O-N 3.14Å; F47-C49 VanDerWaalsContact C-N 3.29Å; F47-C49 PolarHBondContact O-N 2.91Å; F47-F50 PolarHBondContact O-N 2.96Å; F47-F50 VanDerWaalsContact O-N 3.13Å; F47-V51 HydrophobicContact CD1-CG2 4.39Å; F47-V51 HydrophobicContact CD2-CG2 4.15Å; F47-V51 HydrophobicContact CE1-CG2 4.02Å; F47-V51 HydrophobicContact CE2-CG2 3.77Å; F47-V51 HydrophobicContact CG-CG2 4.45Å; F47-V51 HydrophobicContact CZ-CG2 3.68Å; F47-V51 WeakPolarHBondContact O-CG2 3.3Å; F47-V51 PolarHBondContact O-N 3.49Å; F47-V59 HydrophobicContact CD2-CG1 3.75Å; F47-V59 HydrophobicContact CE2-CG1 3.36Å; F47-V59 HydrophobicContact CZ-CG1 4.39Å; F47-P62 HydrophobicContact CB-CB 3.98Å; F47-L63 HydrophobicContact CD2-CB 3.8Å; F47-L63 HydrophobicContact CD2-CD1 4.27Å; F47-L63 HydrophobicContact CE2-CB 3.74Å; F47-L63 HydrophobicContact CE2-CD1 3.78Å; F47-L63 HydrophobicContact CE2-CD2 4.21Å; F47-L63 HydrophobicContact CE2-CG 4.11Å; F47-L63 HydrophobicContact CZ-CD1 4Å |
| 48 | I | 91.1 | Very high | 86.8 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 178.9 | -67 | 167.6 | 0 | 0 | 0 | 110.6 | L44 I45 F50 V51 A52 | L44-I48 HydrophobicContact CD1-CD1 4.1Å; L44-I48 HydrophobicContact CD1-CG1 4.4Å; L44-I48 HydrophobicContact CG-CD1 4.01Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 3.14Å; I45-I48 PolarHBondContact O-N 2.86Å; I48-F50 VanDerWaalsContact C-N 3.35Å; I48-F50 PolarHBondContact O-N 2.99Å; I48-V51 PolarHBondContact O-N 3.1Å; I48-A52 WeakPolarHBondContact O-CB 2.96Å; I48-A52 PolarHBondContact O-N 3.19Å |
| 49 | C | 87.4 | Confident | 86.8 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -39.3 | 176.7 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | I45 T46 F47 S53 A123 | I45-C49 PolarHBondContact O-N 3.36Å; I45-C49 PolarHBondContact O-SG 3.45Å; T46-C49 PolarHBondContact O-N 3.37Å; F47-C49 VanDerWaalsContact C-N 3.29Å; F47-C49 PolarHBondContact O-N 2.91Å; C49-S53 WeakPolarHBondContact O-CB 3.43Å; C49-S53 PolarHBondContact O-N 3.28Å; C49-A123 HydrophobicContact CB-CB 3.52Å |
| 50 | F | 86.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.5 | -33.5 | 175.4 | -83.3 | -59 | 0 | 0 | 0 | 113.5 | T46 F47 I48 S53 A55 F58 V59 P62 I107 A123 | T46-F50 HydrophobicContact CG2-CD2 3.66Å; T46-F50 HydrophobicContact CG2-CE2 3.49Å; T46-F50 VanDerWaalsContact CG2-CE2 3.49Å; T46-F50 VanDerWaalsContact O-CD2 3.24Å; T46-F50 WeakPolarHBondContact O-CD2 3.15Å; T46-F50 PolarHBondContact O-N 2.96Å; F47-F50 PolarHBondContact O-N 2.96Å; F47-F50 VanDerWaalsContact O-N 3.13Å; I48-F50 VanDerWaalsContact C-N 3.35Å; I48-F50 PolarHBondContact O-N 2.99Å; F50-S53 PolarHBondContact O-N 3.11Å; F50-A55 HydrophobicContact CD1-CB 3.76Å; F50-A55 HydrophobicContact CE1-CB 3.81Å; F50-F58 HydrophobicContact CD1-CB 4.27Å; F50-F58 HydrophobicContact CE1-CB 4.2Å; F50-F58 HydrophobicContact CZ-CB 4.47Å; F50-V59 HydrophobicContact CB-CG2 3.57Å; F50-P62 HydrophobicContact CD2-CG 3.86Å; F50-P62 HydrophobicContact CE2-CG 4.28Å; F50-I107 HydrophobicContact CE1-CG2 4.11Å; F50-I107 HydrophobicContact CE2-CG2 3.4Å; F50-I107 VanDerWaalsContact CE2-CG2 3.4Å; F50-I107 HydrophobicContact CZ-CG2 3.15Å; F50-A123 HydrophobicContact CD1-CB 4.14Å; F50-A123 HydrophobicContact CD2-CB 3.96Å; F50-A123 HydrophobicContact CE1-CB 3.92Å; F50-A123 HydrophobicContact CE2-CB 3.75Å; F50-A123 HydrophobicContact CG-CB 4.13Å; F50-A123 HydrophobicContact CZ-CB 3.69Å |
| 51 | V | 88.3 | Confident | 86.7 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 174.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | F47 I48 S53 V59 | F47-V51 HydrophobicContact CD1-CG2 4.39Å; F47-V51 HydrophobicContact CD2-CG2 4.15Å; F47-V51 HydrophobicContact CE1-CG2 4.02Å; F47-V51 HydrophobicContact CE2-CG2 3.77Å; F47-V51 HydrophobicContact CG-CG2 4.45Å; F47-V51 HydrophobicContact CZ-CG2 3.68Å; F47-V51 WeakPolarHBondContact O-CG2 3.3Å; F47-V51 PolarHBondContact O-N 3.49Å; I48-V51 PolarHBondContact O-N 3.1Å; V51-S53 PolarHBondContact O-N 2.89Å; V51-V59 HydrophobicContact CG2-CG1 3.86Å; V51-V59 HydrophobicContact CG2-CG2 3.98Å |
| 52 | A | 87.3 | Confident | 86.6 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 65% | 0.653 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -3.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I48 A119 | I48-A52 WeakPolarHBondContact O-CB 2.96Å; I48-A52 PolarHBondContact O-N 3.19Å; A52-A119 HydrophobicContact CB-CB 4.41Å |
| 53 | S | 85.7 | Confident | 86.6 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -108.6 | 157.4 | -171.7 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | C49 F50 V51 A55 A56 D117 S120 | C49-S53 WeakPolarHBondContact O-CB 3.43Å; C49-S53 PolarHBondContact O-N 3.28Å; F50-S53 PolarHBondContact O-N 3.11Å; V51-S53 PolarHBondContact O-N 2.89Å; S53-A55 PolarHBondContact O-N 3.33Å; S53-A55 WeakPolarHBondContact OG-CB 3.39Å; S53-A55 PolarHBondContact OG-N 3Å; S53-A56 PolarHBondContact O-N 3.33Å; S53-D117 VanDerWaalsContact CB-OD2 3.28Å; S53-D117 WeakPolarHBondContact CB-OD2 3.32Å; S53-D117 PolarHBondContact OG-OD2 3.48Å; S53-S120 PolarHBondContact OG-OG 2.84Å |
| 54 | T | 74.8 | Confident | 86.7 | Confident | 113 Ų | 113 | 52 Ų | 52 | 69% | 0.693 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13 | 165.7 | 45.4 | 0 | 0 | 0 | 0 | 113.7 | A56 D117 | T54-A56 PolarHBondContact O-N 2.85Å; T54-D117 PolarHBondContact OG1-OD1 3.31Å |
| 55 | A | 76.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 26.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F50 S53 A57 F58 F115 S120 | F50-A55 HydrophobicContact CD1-CB 3.76Å; F50-A55 HydrophobicContact CE1-CB 3.81Å; S53-A55 PolarHBondContact O-N 3.33Å; S53-A55 WeakPolarHBondContact OG-CB 3.39Å; S53-A55 PolarHBondContact OG-N 3Å; A55-A57 PolarHBondContact O-N 3.11Å; A55-F58 HydrophobicContact CB-CD2 4.35Å; A55-F58 PolarHBondContact O-N 3.3Å; A55-F115 VanDerWaalsContact CA-CE1 3.48Å; A55-F115 HydrophobicContact CB-CD1 3.75Å; A55-F115 HydrophobicContact CB-CD2 3.88Å; A55-F115 HydrophobicContact CB-CE1 3.56Å; A55-F115 HydrophobicContact CB-CE2 3.65Å; A55-F115 HydrophobicContact CB-CG 3.9Å; A55-F115 HydrophobicContact CB-CZ 3.49Å; A55-F115 VanDerWaalsContact CB-CZ 3.49Å; A55-S120 WeakPolarHBondContact CB-OG 3.22Å |
| 56 | A | 75.6 | Confident | 86.5 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -55.3 | -21.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S53 T54 F58 V59 | S53-A56 PolarHBondContact O-N 3.33Å; T54-A56 PolarHBondContact O-N 2.85Å; A56-F58 PolarHBondContact O-N 3.16Å; A56-F58 VanDerWaalsContact O-N 3.12Å; A56-V59 HydrophobicContact CB-CG2 4.36Å; A56-V59 VanDerWaalsContact O-CB 3.27Å; A56-V59 WeakPolarHBondContact O-CB 3.32Å; A56-V59 VanDerWaalsContact O-CG2 3.29Å; A56-V59 WeakPolarHBondContact O-CG2 3.37Å; A56-V59 PolarHBondContact O-N 3.29Å; A56-V59 VanDerWaalsContact O-N 3.09Å |
| 57 | A | 82.2 | Confident | 86.6 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 74% | 0.736 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -57.2 | -24.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A55 | A55-A57 PolarHBondContact O-N 3.11Š|
| 58 | F | 85.1 | Confident | 86.4 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -95.3 | -3.2 | -179.9 | -61.8 | -69.4 | 0 | 0 | 0 | 113.9 | F50 A55 A56 T60 A61 P62 I107 I110 F115 | F50-F58 HydrophobicContact CD1-CB 4.27Å; F50-F58 HydrophobicContact CE1-CB 4.2Å; F50-F58 HydrophobicContact CZ-CB 4.47Å; A55-F58 HydrophobicContact CB-CD2 4.35Å; A55-F58 PolarHBondContact O-N 3.3Å; A56-F58 PolarHBondContact O-N 3.16Å; A56-F58 VanDerWaalsContact O-N 3.12Å; F58-T60 VanDerWaalsContact C-N 3.26Å; F58-T60 PolarHBondContact O-N 2.92Å; F58-A61 PolarHBondContact O-N 3.29Å; F58-P62 WeakPolarHBondContact O-CD 3.34Å; F58-I107 HydrophobicContact CB-CD1 4.32Å; F58-I107 HydrophobicContact CB-CG1 4.47Å; F58-I107 HydrophobicContact CB-CG2 4.07Å; F58-I107 HydrophobicContact CD1-CD1 4.28Å; F58-I107 HydrophobicContact CD1-CG1 3.93Å; F58-I107 HydrophobicContact CG-CG1 4.39Å; F58-I107 HydrophobicContact CG-CG2 4.32Å; F58-I110 HydrophobicContact CE1-CD1 4.34Å; F58-I110 HydrophobicContact CE2-CG2 3.82Å; F58-I110 HydrophobicContact CZ-CD1 4.23Å; F58-I110 HydrophobicContact CZ-CG2 3.75Å; F58-F115 HydrophobicContact CD2-CE2 4.28Å; F58-F115 HydrophobicContact CD2-CZ 4.4Å; F58-F115 AromaticContact CE2-CE2 3.79Å; F58-F115 HydrophobicContact CE2-CE2 3.79Å; F58-F115 AromaticContact CE2-CZ 3.93Å; F58-F115 HydrophobicContact CE2-CZ 3.93Å |
| 59 | V | 88.4 | Confident | 86.2 | Confident | 24 Ų | 24 | 47 Ų | 47 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35 | -176 | 165.7 | 0 | 0 | 0 | 0 | 113.4 | F47 F50 V51 A56 A61 P62 L63 | F47-V59 HydrophobicContact CD2-CG1 3.75Å; F47-V59 HydrophobicContact CE2-CG1 3.36Å; F47-V59 HydrophobicContact CZ-CG1 4.39Å; F50-V59 HydrophobicContact CB-CG2 3.57Å; V51-V59 HydrophobicContact CG2-CG1 3.86Å; V51-V59 HydrophobicContact CG2-CG2 3.98Å; A56-V59 HydrophobicContact CB-CG2 4.36Å; A56-V59 VanDerWaalsContact O-CB 3.27Å; A56-V59 WeakPolarHBondContact O-CB 3.32Å; A56-V59 VanDerWaalsContact O-CG2 3.29Å; A56-V59 WeakPolarHBondContact O-CG2 3.37Å; A56-V59 PolarHBondContact O-N 3.29Å; A56-V59 VanDerWaalsContact O-N 3.09Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 2.87Å; V59-P62 WeakPolarHBondContact O-CD 3Å; V59-L63 WeakPolarHBondContact O-CB 3.34Å; V59-L63 PolarHBondContact O-N 2.97Å; V59-L63 VanDerWaalsContact O-N 3.12Å |
| 60 | T | 89 | Confident | 86.2 | Confident | 94 Ų | 94 | 48.9 Ų | 48.9 | 58% | 0.577 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.6 | -37.5 | -176.5 | -50 | 0 | 0 | 0 | 0 | 112.1 | F58 L63 I64 | F58-T60 VanDerWaalsContact C-N 3.26Å; F58-T60 PolarHBondContact O-N 2.92Å; T60-L63 PolarHBondContact O-N 3.18Å; T60-I64 HydrophobicContact CG2-CG1 4.29Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.46Å; T60-I64 PolarHBondContact O-N 3.29Å |
| 61 | A | 88.9 | Confident | 86.1 | Confident | 31 Ų | 31 | 55 Ų | 55 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -54.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F58 V59 L63 I64 E65 I103 I107 | F58-A61 PolarHBondContact O-N 3.29Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 2.87Å; A61-L63 PolarHBondContact O-N 3.41Å; A61-I64 PolarHBondContact O-N 3.29Å; A61-E65 PolarHBondContact O-N 3.28Å; A61-E65 VanDerWaalsContact O-N 3.08Å; A61-I103 HydrophobicContact CB-CG2 3.68Å; A61-I107 HydrophobicContact CB-CD1 3.56Å |
| 62 | P | 88.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -32 | 173.4 | -24.8 | 34 | 0 | 0 | 0 | 113.9 | T46 F47 F50 F58 V59 F66 F104 | T46-P62 HydrophobicContact CG2-CG 4.22Å; F47-P62 HydrophobicContact CB-CB 3.98Å; F50-P62 HydrophobicContact CD2-CG 3.86Å; F50-P62 HydrophobicContact CE2-CG 4.28Å; F58-P62 WeakPolarHBondContact O-CD 3.34Å; V59-P62 WeakPolarHBondContact O-CD 3Å; P62-F66 VanDerWaalsContact O-CB 3.24Å; P62-F66 WeakPolarHBondContact O-CB 3.29Å; P62-F66 PolarHBondContact O-N 2.95Å; P62-F104 HydrophobicContact CB-CE1 4.06Å; P62-F104 HydrophobicContact CB-CZ 3.9Å; P62-F104 HydrophobicContact CG-CE1 3.97Å; P62-F104 HydrophobicContact CG-CZ 4.16Å |
| 63 | L | 90.5 | Very high | 85.6 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.3 | -48.3 | 177.2 | 179.4 | 60.4 | 0 | 0 | 0 | 112 | F47 V59 T60 A61 E65 F66 L67 | F47-L63 HydrophobicContact CD2-CB 3.8Å; F47-L63 HydrophobicContact CD2-CD1 4.27Å; F47-L63 HydrophobicContact CE2-CB 3.74Å; F47-L63 HydrophobicContact CE2-CD1 3.78Å; F47-L63 HydrophobicContact CE2-CD2 4.21Å; F47-L63 HydrophobicContact CE2-CG 4.11Å; F47-L63 HydrophobicContact CZ-CD1 4Å; V59-L63 WeakPolarHBondContact O-CB 3.34Å; V59-L63 PolarHBondContact O-N 2.97Å; V59-L63 VanDerWaalsContact O-N 3.12Å; T60-L63 PolarHBondContact O-N 3.18Å; A61-L63 PolarHBondContact O-N 3.41Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 2.98Å; L63-F66 PolarHBondContact O-N 2.94Å; L63-L67 HydrophobicContact CD1-CG 4.48Å; L63-L67 HydrophobicContact CG-CD1 4.44Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.47Å |
| 64 | I | 90.6 | Very high | 85.5 | Confident | 101 Ų | 101 | 55.3 Ų | 55.3 | 52% | 0.518 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 177.7 | -66.9 | -64 | 0 | 0 | 0 | 110 | T60 A61 L67 A68 | T60-I64 HydrophobicContact CG2-CG1 4.29Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.46Å; T60-I64 PolarHBondContact O-N 3.29Å; A61-I64 PolarHBondContact O-N 3.29Å; I64-L67 PolarHBondContact O-N 3.48Å; I64-A68 WeakPolarHBondContact O-CB 3.5Å; I64-A68 PolarHBondContact O-N 2.93Å |
| 65 | E | 90.1 | Very high | 85.8 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 178.7 | -158.7 | 62.8 | -147.4 | 0 | 0 | 112.6 | A61 L63 L67 A68 A69 R96 A100 F104 F134 | A61-E65 PolarHBondContact O-N 3.28Å; A61-E65 VanDerWaalsContact O-N 3.08Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 2.98Å; E65-L67 VanDerWaalsContact C-N 3.33Å; E65-L67 PolarHBondContact O-N 3.45Å; E65-A68 PolarHBondContact O-N 3.38Å; E65-A69 VanDerWaalsContact O-CB 3.29Å; E65-A69 WeakPolarHBondContact O-CB 3.4Å; E65-A69 PolarHBondContact O-N 2.94Å; E65-R96 WeakPolarHBondContact OE1-CD 3.46Å; E65-R96 VanDerWaalsContact OE1-CG 3.26Å; E65-R96 WeakPolarHBondContact OE1-CG 3.43Å; E65-R96 IonicContact OE1-CZ 3.44Å; E65-R96 IonicContact OE1-NE 3.66Å; E65-R96 IonicContact OE1-NH1 2.68Å; E65-R96 PolarHBondContact OE1-NH1 2.99Å; E65-A100 HydrophobicContact CG-CB 3.87Å; E65-A100 WeakPolarHBondContact OE1-CB 3.28Å; E65-A100 WeakPolarHBondContact OE2-CB 3.37Å; E65-F104 HydrophobicContact CB-CE2 3.81Å; E65-F104 HydrophobicContact CB-CZ 4.28Å; E65-F104 HydrophobicContact CG-CE2 3.83Å; E65-F134 HydrophobicContact CG-CE1 4.11Å; E65-F134 HydrophobicContact CG-CE2 4.22Å; E65-F134 HydrophobicContact CG-CZ 3.52Å |
| 66 | F | 89.1 | Confident | 85.7 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 173.9 | 172.9 | -106.2 | 0 | 0 | 0 | 111.5 | V40 L44 P62 L63 A69 L70 | V40-F66 HydrophobicContact CG1-CD2 4.14Å; V40-F66 HydrophobicContact CG1-CE2 3.72Å; L44-F66 HydrophobicContact CB-CD2 3.86Å; L44-F66 HydrophobicContact CB-CE2 3.75Å; L44-F66 HydrophobicContact CD1-CD2 4.35Å; L44-F66 HydrophobicContact CD1-CE1 4.44Å; L44-F66 HydrophobicContact CD1-CE2 3.88Å; L44-F66 HydrophobicContact CD1-CZ 3.92Å; L44-F66 HydrophobicContact CD2-CE2 4.29Å; L44-F66 HydrophobicContact CG-CE2 4.18Å; P62-F66 VanDerWaalsContact O-CB 3.24Å; P62-F66 WeakPolarHBondContact O-CB 3.29Å; P62-F66 PolarHBondContact O-N 2.95Å; L63-F66 PolarHBondContact O-N 2.94Å; F66-A69 PolarHBondContact O-N 3.41Å; F66-L70 HydrophobicContact CD1-CD1 4.05Å; F66-L70 HydrophobicContact CD2-CG 4.42Å; F66-L70 HydrophobicContact CE1-CD1 3.39Å; F66-L70 HydrophobicContact CE1-CG 4.19Å; F66-L70 HydrophobicContact CE2-CD1 4.02Å; F66-L70 HydrophobicContact CE2-CD2 4.4Å; F66-L70 HydrophobicContact CE2-CG 4.03Å; F66-L70 HydrophobicContact CZ-CD1 3.38Å; F66-L70 HydrophobicContact CZ-CD2 4.4Å; F66-L70 HydrophobicContact CZ-CG 3.92Å; F66-L70 WeakPolarHBondContact O-CB 3.44Å; F66-L70 WeakPolarHBondContact O-CG 3.13Å; F66-L70 PolarHBondContact O-N 2.97Å |
| 67 | L | 91.2 | Very high | 85.5 | Confident | 93 Ų | 93 | 55.1 Ų | 55.1 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 176.7 | -69.7 | 176 | 0 | 0 | 0 | 112.1 | L63 I64 E65 L70 F71 | L63-L67 HydrophobicContact CD1-CG 4.48Å; L63-L67 HydrophobicContact CG-CD1 4.44Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.47Å; I64-L67 PolarHBondContact O-N 3.48Å; E65-L67 VanDerWaalsContact C-N 3.33Å; E65-L67 PolarHBondContact O-N 3.45Å; L67-L70 PolarHBondContact O-N 3.43Å; L67-F71 WeakPolarHBondContact O-CB 3.42Å; L67-F71 PolarHBondContact O-N 2.71Å |
| 68 | A | 87.6 | Confident | 85.1 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I64 E65 L70 F71 L72 R96 | I64-A68 WeakPolarHBondContact O-CB 3.5Å; I64-A68 PolarHBondContact O-N 2.93Å; E65-A68 PolarHBondContact O-N 3.38Å; A68-L70 PolarHBondContact O-N 2.96Å; A68-F71 WeakPolarHBondContact O-CB 3.3Å; A68-F71 PolarHBondContact O-N 3.08Å; A68-L72 WeakPolarHBondContact O-CG 3.29Å; A68-L72 PolarHBondContact O-N 3.01Å; A68-R96 HydrophobicContact CB-CG 4.41Å |
| 69 | A | 87.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V40 E65 F66 L72 L73 | V40-A69 HydrophobicContact CG2-CB 3.58Å; E65-A69 VanDerWaalsContact O-CB 3.29Å; E65-A69 WeakPolarHBondContact O-CB 3.4Å; E65-A69 PolarHBondContact O-N 2.94Å; F66-A69 PolarHBondContact O-N 3.41Å; A69-L72 PolarHBondContact O-N 3.08Å; A69-L73 VanDerWaalsContact O-CB 3.3Å; A69-L73 WeakPolarHBondContact O-CB 3.26Å; A69-L73 PolarHBondContact O-N 3.25Å |
| 70 | L | 86.3 | Confident | 82.8 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 172.4 | -82.5 | -173.4 | 0 | 0 | 0 | 112.4 | V40 F66 L67 A68 L72 L73 F74 | V40-L70 HydrophobicContact CG1-CD2 3.72Å; V40-L70 HydrophobicContact CG1-CG 4.33Å; V40-L70 HydrophobicContact CG2-CD2 4.27Å; F66-L70 HydrophobicContact CD1-CD1 4.05Å; F66-L70 HydrophobicContact CD2-CG 4.42Å; F66-L70 HydrophobicContact CE1-CD1 3.39Å; F66-L70 HydrophobicContact CE1-CG 4.19Å; F66-L70 HydrophobicContact CE2-CD1 4.02Å; F66-L70 HydrophobicContact CE2-CD2 4.4Å; F66-L70 HydrophobicContact CE2-CG 4.03Å; F66-L70 HydrophobicContact CZ-CD1 3.38Å; F66-L70 HydrophobicContact CZ-CD2 4.4Å; F66-L70 HydrophobicContact CZ-CG 3.92Å; F66-L70 WeakPolarHBondContact O-CB 3.44Å; F66-L70 WeakPolarHBondContact O-CG 3.13Å; F66-L70 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 3.43Å; A68-L70 PolarHBondContact O-N 2.96Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.49Å; L70-L73 HydrophobicContact CD2-CD2 4.38Å; L70-L73 PolarHBondContact O-N 3.38Å; L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 PolarHBondContact O-N 3.11Å |
| 71 | F | 86 | Confident | 81.2 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 177.1 | 178.1 | -96.8 | 0 | 0 | 0 | 111.2 | L67 A68 F74 A75 | L67-F71 WeakPolarHBondContact O-CB 3.42Å; L67-F71 PolarHBondContact O-N 2.71Å; A68-F71 WeakPolarHBondContact O-CB 3.3Å; A68-F71 PolarHBondContact O-N 3.08Å; F71-F74 PolarHBondContact O-N 3.05Å; F71-A75 WeakPolarHBondContact O-CB 3.28Å; F71-A75 PolarHBondContact O-N 3.21Å |
| 72 | L | 81.9 | Confident | 79.8 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 176.7 | -73.3 | 163.3 | 0 | 0 | 0 | 112.7 | L36 A68 A69 L70 F74 A75 Y76 F89 D93 R96 | L36-L72 HydrophobicContact CD2-CB 3.81Å; A68-L72 WeakPolarHBondContact O-CG 3.29Å; A68-L72 PolarHBondContact O-N 3.01Å; A69-L72 PolarHBondContact O-N 3.08Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.49Å; L72-F74 VanDerWaalsContact C-N 3.27Å; L72-F74 PolarHBondContact O-N 3.34Å; L72-A75 PolarHBondContact O-N 2.92Å; L72-Y76 VanDerWaalsContact O-CB 3.26Å; L72-Y76 WeakPolarHBondContact O-CB 3.46Å; L72-Y76 PolarHBondContact O-N 3.47Å; L72-F89 HydrophobicContact CD2-CE1 3.6Å; L72-F89 HydrophobicContact CD2-CZ 3.76Å; L72-D93 WeakPolarHBondContact CD1-OD1 3.27Å; L72-D93 HydrophobicContact CD2-CB 4.45Å; L72-R96 VanDerWaalsContact CD1-CZ 3.41Å |
| 73 | L | 83.3 | Confident | 78.2 | Confident | 39 Ų | 39 | 78.3 Ų | 78.3 | 20% | 0.204 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 172.1 | -174 | 79.9 | 0 | 0 | 0 | 110.5 | F27 L36 I37 A69 L70 S77 | F27-L73 HydrophobicContact CE1-CD1 4.22Å; L36-L73 HydrophobicContact CB-CD1 4.14Å; I37-L73 HydrophobicContact CG1-CD1 4.02Å; A69-L73 VanDerWaalsContact O-CB 3.3Å; A69-L73 WeakPolarHBondContact O-CB 3.26Å; A69-L73 PolarHBondContact O-N 3.25Å; L70-L73 HydrophobicContact CD2-CD2 4.38Å; L70-L73 PolarHBondContact O-N 3.38Å; L73-S77 VanDerWaalsContact O-CB 3.28Å; L73-S77 WeakPolarHBondContact O-CB 3.12Å; L73-S77 PolarHBondContact O-N 2.62Å; L73-S77 PolarHBondContact O-OG 3.31Å |
| 74 | F | 82.5 | Confident | 76.6 | Confident | 132 Ų | 132 | 82 Ų | 82 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.8 | -44 | 178 | -172.9 | -97.4 | 0 | 0 | 0 | 112.2 | L70 F71 L72 Y76 S77 T78 | L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 PolarHBondContact O-N 3.11Å; F71-F74 PolarHBondContact O-N 3.05Å; L72-F74 VanDerWaalsContact C-N 3.27Å; L72-F74 PolarHBondContact O-N 3.34Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.39Å; F74-S77 PolarHBondContact O-N 2.83Å; F74-T78 HydrophobicContact CD1-CG2 4.09Å; F74-T78 HydrophobicContact CD2-CG2 4.21Å; F74-T78 HydrophobicContact CE1-CG2 3.68Å; F74-T78 HydrophobicContact CE2-CG2 3.81Å; F74-T78 HydrophobicContact CG-CG2 4.34Å; F74-T78 HydrophobicContact CZ-CG2 3.54Å; F74-T78 WeakPolarHBondContact O-CB 3.29Å; F74-T78 WeakPolarHBondContact O-CG2 3.24Å; F74-T78 PolarHBondContact O-N 2.88Å; F74-T78 PolarHBondContact O-OG1 3.28Å |
| 75 | A | 80.6 | Confident | 74.6 | Confident | 11 Ų | 11 | 86.6 Ų | 86.6 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F71 L72 F80 F89 | F71-A75 WeakPolarHBondContact O-CB 3.28Å; F71-A75 PolarHBondContact O-N 3.21Å; L72-A75 PolarHBondContact O-N 2.92Å; A75-F80 PolarHBondContact O-N 3.47Å; A75-F89 HydrophobicContact CB-CE1 4.47Å; A75-F89 HydrophobicContact CB-CZ 3.74Å |
| 76 | Y | 74.6 | Confident | 72.7 | Confident | 89 Ų | 89 | 89.9 Ų | 89.9 | 35% | 0.349 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68 | -40.8 | 175 | -174.3 | -121.2 | 0 | 0 | 0 | 111.3 | F27 S30 L36 L72 F74 | F27-Y76 HydrophobicContact CD1-CD1 4.38Å; F27-Y76 HydrophobicContact CD1-CE1 4.31Å; F27-Y76 HydrophobicContact CD2-CE1 4.46Å; F27-Y76 AromaticContact CE1-CD1 3.3Å; F27-Y76 HydrophobicContact CE1-CD1 3.3Å; F27-Y76 AromaticContact CE1-CE1 3.6Å; F27-Y76 HydrophobicContact CE1-CE1 3.6Å; F27-Y76 HydrophobicContact CE1-CG 4.44Å; F27-Y76 AromaticContact CE2-CD1 3.83Å; F27-Y76 HydrophobicContact CE2-CD1 3.83Å; F27-Y76 AromaticContact CE2-CE1 3.76Å; F27-Y76 HydrophobicContact CE2-CE1 3.76Å; F27-Y76 AromaticContact CZ-CD1 2.96Å; F27-Y76 HydrophobicContact CZ-CD1 2.96Å; F27-Y76 AromaticContact CZ-CE1 3.3Å; F27-Y76 HydrophobicContact CZ-CE1 3.3Å; F27-Y76 AromaticContact CZ-CG 3.84Å; F27-Y76 HydrophobicContact CZ-CG 3.84Å; S30-Y76 PolarHBondContact OG-OH 3.45Å; L36-Y76 HydrophobicContact CD1-CD1 4.16Å; L36-Y76 HydrophobicContact CD1-CG 4.37Å; L72-Y76 VanDerWaalsContact O-CB 3.26Å; L72-Y76 WeakPolarHBondContact O-CB 3.46Å; L72-Y76 PolarHBondContact O-N 3.47Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.39Å |
| 77 | S | 73 | Confident | 71.1 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 43% | 0.427 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.5 | -39.2 | -179.5 | -60.6 | 0 | 0 | 0 | 0 | 113.3 | F27 L73 F74 K79 | F27-S77 VanDerWaalsContact CZ-OG 3.24Å; F27-S77 WeakPolarHBondContact CZ-OG 3.45Å; L73-S77 VanDerWaalsContact O-CB 3.28Å; L73-S77 WeakPolarHBondContact O-CB 3.12Å; L73-S77 PolarHBondContact O-N 2.62Å; L73-S77 PolarHBondContact O-OG 3.31Å; F74-S77 PolarHBondContact O-N 2.83Å; S77-K79 PolarHBondContact O-N 2.7Å |
| 78 | T | 72.2 | Confident | 69.9 | Low | 62 Ų | 62 | 97 Ų | 97 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 3.6 | -176.1 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | F74 F80 | F74-T78 HydrophobicContact CD1-CG2 4.09Å; F74-T78 HydrophobicContact CD2-CG2 4.21Å; F74-T78 HydrophobicContact CE1-CG2 3.68Å; F74-T78 HydrophobicContact CE2-CG2 3.81Å; F74-T78 HydrophobicContact CG-CG2 4.34Å; F74-T78 HydrophobicContact CZ-CG2 3.54Å; F74-T78 WeakPolarHBondContact O-CB 3.29Å; F74-T78 WeakPolarHBondContact O-CG2 3.24Å; F74-T78 PolarHBondContact O-N 2.88Å; F74-T78 PolarHBondContact O-OG1 3.28Å; T78-F80 PolarHBondContact O-N 3.44Å |
| 79 | K | 65.6 | Low | 69.1 | Low | 141 Ų | 141 | 98.5 Ų | 98.5 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 27.4 | -172 | -65 | -168.2 | 175.9 | -173.9 | 0 | 113.3 | S77 N81 E82 | S77-K79 PolarHBondContact O-N 2.7Å; K79-N81 PolarHBondContact O-N 2.86Å; K79-E82 PolarHBondContact O-N 3.43Å |
| 80 | F | 60.6 | Low | 68.5 | Low | 119 Ų | 119 | 101.8 Ų | 101.8 | 52% | 0.522 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -59.4 | -19.5 | 177.4 | -140.7 | -95.3 | 0 | 0 | 0 | 111.9 | A75 T78 E82 R83 F84 | A75-F80 PolarHBondContact O-N 3.47Å; T78-F80 PolarHBondContact O-N 3.44Å; F80-E82 VanDerWaalsContact C-N 3.25Å; F80-E82 PolarHBondContact O-N 2.97Å; F80-R83 PolarHBondContact O-N 3.46Å; F80-R83 VanDerWaalsContact O-N 3.15Å; F80-F84 AromaticContact CD1-CD2 3.98Å; F80-F84 HydrophobicContact CD1-CD2 3.98Å; F80-F84 HydrophobicContact CD1-CE2 4.25Å; F80-F84 AromaticContact CE1-CD2 3.71Å; F80-F84 HydrophobicContact CE1-CD2 3.71Å; F80-F84 AromaticContact CE1-CE2 3.51Å; F80-F84 HydrophobicContact CE1-CE2 3.51Å; F80-F84 HydrophobicContact CZ-CE2 4.24Å |
| 81 | N | 55.2 | Low | 68.1 | Low | 109 Ų | 109 | 101.5 Ų | 101.5 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -52.5 | -33.2 | 169.5 | -165.9 | 30.1 | 0 | 0 | 0 | 114.2 | K79 R83 | K79-N81 PolarHBondContact O-N 2.86Å; N81-R83 VanDerWaalsContact C-N 3.32Å; N81-R83 PolarHBondContact O-N 3.39Å |
| 82 | E | 58.5 | Low | 67.8 | Low | 137 Ų | 137 | 99.5 Ų | 99.5 | 64% | 0.64 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -76.4 | -19.1 | -179.4 | -74.3 | -176.8 | 128.8 | 0 | 0 | 113.3 | K79 F80 | K79-E82 PolarHBondContact O-N 3.43Å; F80-E82 VanDerWaalsContact C-N 3.25Å; F80-E82 PolarHBondContact O-N 2.97Å |
| 83 | R | 56.6 | Low | 67.9 | Low | 213 Ų | 213 | 100.1 Ų | 100.1 | 80% | 0.804 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -21.1 | -175.8 | -72.1 | -68.1 | -160.3 | 169.8 | 3.8 | 114 | F80 N81 | F80-R83 PolarHBondContact O-N 3.46Å; F80-R83 VanDerWaalsContact O-N 3.15Å; N81-R83 VanDerWaalsContact C-N 3.32Å; N81-R83 PolarHBondContact O-N 3.39Å |
| 84 | F | 55.1 | Low | 68.1 | Low | 137 Ų | 137 | 100.4 Ų | 100.4 | 60% | 0.601 | 49% | 0.491 | S | S | * | . | trans | -126 | 68.9 | -176.8 | -77.4 | -85.7 | 0 | 0 | 0 | 111.9 | F80 G86 | F80-F84 AromaticContact CD1-CD2 3.98Å; F80-F84 HydrophobicContact CD1-CD2 3.98Å; F80-F84 HydrophobicContact CD1-CE2 4.25Å; F80-F84 AromaticContact CE1-CD2 3.71Å; F80-F84 HydrophobicContact CE1-CD2 3.71Å; F80-F84 AromaticContact CE1-CE2 3.51Å; F80-F84 HydrophobicContact CE1-CE2 3.51Å; F80-F84 HydrophobicContact CZ-CE2 4.24Å; F84-G86 PolarHBondContact O-N 3.37Å; F84-G86 VanDerWaalsContact O-N 3.08Å | ||
| 85 | K | 49.5 | Very low | 68.3 | Low | 198 Ų | 198 | 99.5 Ų | 99.5 | 86% | 0.861 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 0.9 | 178.4 | -75.2 | -175.9 | 175.8 | 177.7 | 0 | 115.7 | ||
| 86 | G | 50.4 | Low | 68.7 | Low | 83 Ų | 83 | 100.2 Ų | 100.2 | 86% | 0.856 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -5.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F84 | F84-G86 PolarHBondContact O-N 3.37Å; F84-G86 VanDerWaalsContact O-N 3.08Å |
| 87 | F | 55 | Low | 69.5 | Low | 138 Ų | 138 | 96 Ų | 96 | 61% | 0.605 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -100.9 | 141 | -173.3 | -154.5 | -104 | 0 | 0 | 0 | 110.9 | F89 M92 | F87-F89 PolarHBondContact O-N 2.91Å; F87-M92 HydrophobicContact CE1-CE 4.2Å; F87-M92 HydrophobicContact CE1-SD 4.25Å |
| 88 | H | 65.3 | Low | 70.4 | Confident | 138 Ų | 138 | 95.1 Ų | 95.1 | 64% | 0.639 | 47% | 0.467 | S | S | * | . | trans | -65.1 | 43.6 | 176.5 | -81.9 | 126.6 | 0 | 0 | 0 | 113.7 | P90 L91 M92 | H88-P90 VanDerWaalsContact C-CD 3.47Å; H88-L91 HydrophobicContact CB-CB 4.21Å; H88-L91 HydrophobicContact CB-CD1 4.33Å; H88-L91 WeakPolarHBondContact CD2-CD1 3.39Å; H88-L91 PolarHBondContact O-N 2.7Å; H88-L91 VanDerWaalsContact O-N 3.11Å; H88-M92 PolarHBondContact O-N 3.07Å | ||
| 89 | F | 72.1 | Confident | 71.3 | Confident | 61 Ų | 61 | 94.6 Ų | 94.6 | 27% | 0.268 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55 | -43.4 | -176.3 | -154.2 | -89.2 | 0 | 0 | 0 | 113 | L72 A75 F87 L91 M92 D93 | L72-F89 HydrophobicContact CD2-CE1 3.6Å; L72-F89 HydrophobicContact CD2-CZ 3.76Å; A75-F89 HydrophobicContact CB-CE1 4.47Å; A75-F89 HydrophobicContact CB-CZ 3.74Å; F87-F89 PolarHBondContact O-N 2.91Å; F89-L91 PolarHBondContact O-N 3.23Å; F89-M92 HydrophobicContact CD2-CE 4.11Å; F89-M92 HydrophobicContact CE2-CE 4.23Å; F89-M92 PolarHBondContact O-N 2.83Å; F89-D93 PolarHBondContact O-N 3.18Å; F89-D93 VanDerWaalsContact O-N 3.08Å |
| 90 | P | 74.4 | Confident | 72.6 | Confident | 68 Ų | 68 | 87.9 Ų | 87.9 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 177 | -18.2 | 32.1 | 0 | 0 | 0 | 113.5 | H88 F94 I141 | H88-P90 VanDerWaalsContact C-CD 3.47Å; P90-F94 WeakPolarHBondContact O-CB 3.3Å; P90-F94 PolarHBondContact O-N 3.5Å; P90-I141 WeakPolarHBondContact O-CG2 3.29Å |
| 91 | L | 77 | Confident | 74.2 | Confident | 57 Ų | 57 | 83 Ų | 83 | 30% | 0.298 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.3 | -39 | 177.3 | -71.3 | -174.7 | 0 | 0 | 0 | 111.9 | H88 F89 D93 F94 L95 L145 | H88-L91 HydrophobicContact CB-CB 4.21Å; H88-L91 HydrophobicContact CB-CD1 4.33Å; H88-L91 WeakPolarHBondContact CD2-CD1 3.39Å; H88-L91 PolarHBondContact O-N 2.7Å; H88-L91 VanDerWaalsContact O-N 3.11Å; F89-L91 PolarHBondContact O-N 3.23Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-F94 PolarHBondContact O-N 3.39Å; L91-L95 WeakPolarHBondContact O-CG 3.36Å; L91-L95 PolarHBondContact O-N 2.91Å; L91-L145 HydrophobicContact CD2-CD1 3.95Å; L91-L145 HydrophobicContact CD2-CD2 3.35Å; L91-L145 HydrophobicContact CD2-CG 4.29Å |
| 92 | M | 81.2 | Confident | 76.1 | Confident | 86 Ų | 86 | 82.2 Ų | 82.2 | 42% | 0.424 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.3 | -175.8 | 170.9 | 63.1 | 0 | 0 | 110.7 | F87 H88 F89 L95 R96 | F87-M92 HydrophobicContact CE1-CE 4.2Å; F87-M92 HydrophobicContact CE1-SD 4.25Å; H88-M92 PolarHBondContact O-N 3.07Å; F89-M92 HydrophobicContact CD2-CE 4.11Å; F89-M92 HydrophobicContact CE2-CE 4.23Å; F89-M92 PolarHBondContact O-N 2.83Å; M92-L95 PolarHBondContact O-N 3.25Å; M92-R96 WeakPolarHBondContact O-CB 3.32Å; M92-R96 PolarHBondContact O-N 3.47Å |
| 93 | D | 83.8 | Confident | 77.7 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 13% | 0.128 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 176.5 | -152.2 | -0 | 0 | 0 | 0 | 111.9 | L72 F89 L91 L95 R96 C97 I141 | L72-D93 WeakPolarHBondContact CD1-OD1 3.27Å; L72-D93 HydrophobicContact CD2-CB 4.45Å; F89-D93 PolarHBondContact O-N 3.18Å; F89-D93 VanDerWaalsContact O-N 3.08Å; L91-D93 VanDerWaalsContact C-N 3.3Å; D93-L95 PolarHBondContact O-N 3.23Å; D93-R96 WeakPolarHBondContact O-CB 3.49Å; D93-R96 PolarHBondContact O-N 3.04Å; D93-R96 IonicContact OD1-CZ 3.69Å; D93-R96 IonicContact OD1-NE 3.18Å; D93-R96 PolarHBondContact OD1-NE 2.91Å; D93-R96 IonicContact OD1-NH2 3.29Å; D93-R96 PolarHBondContact OD1-NH2 2.71Å; D93-C97 PolarHBondContact O-N 3.39Å; D93-C97 PolarHBondContact O-SG 2.89Å; D93-C97 VanDerWaalsContact O-SG 3.41Å; D93-I141 HydrophobicContact CB-CD1 4.23Å |
| 94 | F | 86.8 | Confident | 79.4 | Confident | 44 Ų | 44 | 69.1 Ų | 69.1 | 19% | 0.193 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.8 | -51.2 | 172.2 | 169.1 | -95.5 | 0 | 0 | 0 | 112.5 | P90 L91 R96 C97 V98 F138 I141 F142 | P90-F94 WeakPolarHBondContact O-CB 3.3Å; P90-F94 PolarHBondContact O-N 3.5Å; L91-F94 PolarHBondContact O-N 3.39Å; F94-R96 VanDerWaalsContact C-N 3.29Å; F94-R96 PolarHBondContact O-N 2.85Å; F94-C97 PolarHBondContact O-N 3.33Å; F94-V98 HydrophobicContact CD2-CG2 4.31Å; F94-V98 HydrophobicContact CE1-CG2 4.16Å; F94-V98 HydrophobicContact CE2-CG2 3.98Å; F94-V98 HydrophobicContact CZ-CG2 3.88Å; F94-V98 WeakPolarHBondContact O-CG2 3.49Å; F94-V98 PolarHBondContact O-N 3.37Å; F94-F138 HydrophobicContact CD2-CB 4.33Å; F94-F138 HydrophobicContact CD2-CD2 4.08Å; F94-F138 AromaticContact CE2-CD2 3.53Å; F94-F138 HydrophobicContact CE2-CD2 3.53Å; F94-F138 HydrophobicContact CE2-CE2 4.23Å; F94-F138 HydrophobicContact CE2-CG 4.4Å; F94-F138 HydrophobicContact CZ-CD2 4.47Å; F94-I141 HydrophobicContact CB-CG2 3.79Å; F94-F142 HydrophobicContact CD2-CB 4.3Å; F94-F142 HydrophobicContact CE2-CB 4.04Å; F94-F142 HydrophobicContact CE2-CD2 4.07Å; F94-F142 HydrophobicContact CE2-CG 4.48Å |
| 95 | L | 86.8 | Confident | 81.3 | Confident | 113 Ų | 113 | 66.8 Ų | 66.8 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.6 | -37.9 | -179.8 | -74.1 | 178.8 | 0 | 0 | 0 | 111.6 | L91 M92 D93 S99 | L91-L95 WeakPolarHBondContact O-CG 3.36Å; L91-L95 PolarHBondContact O-N 2.91Å; M92-L95 PolarHBondContact O-N 3.25Å; D93-L95 PolarHBondContact O-N 3.23Å; L95-S99 WeakPolarHBondContact O-CB 3.26Å; L95-S99 PolarHBondContact O-N 3.01Å; L95-S99 PolarHBondContact O-OG 2.83Å |
| 96 | R | 89.8 | Confident | 83.4 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.9 | -56 | 172.2 | -174.7 | -157 | 66 | 109.7 | -8.8 | 110.7 | E39 E65 A68 L72 M92 D93 F94 V98 S99 A100 | E39-R96 IonicContact OE2-CZ 3.55Å; E39-R96 IonicContact OE2-NH1 3.5Å; E39-R96 PolarHBondContact OE2-NH1 3.32Å; E39-R96 IonicContact OE2-NH2 2.71Å; E39-R96 PolarHBondContact OE2-NH2 2.88Å; E65-R96 WeakPolarHBondContact OE1-CD 3.46Å; E65-R96 VanDerWaalsContact OE1-CG 3.26Å; E65-R96 WeakPolarHBondContact OE1-CG 3.43Å; E65-R96 IonicContact OE1-CZ 3.44Å; E65-R96 IonicContact OE1-NE 3.66Å; E65-R96 IonicContact OE1-NH1 2.68Å; E65-R96 PolarHBondContact OE1-NH1 2.99Å; A68-R96 HydrophobicContact CB-CG 4.41Å; L72-R96 VanDerWaalsContact CD1-CZ 3.41Å; M92-R96 WeakPolarHBondContact O-CB 3.32Å; M92-R96 PolarHBondContact O-N 3.47Å; D93-R96 WeakPolarHBondContact O-CB 3.49Å; D93-R96 PolarHBondContact O-N 3.04Å; D93-R96 IonicContact OD1-CZ 3.69Å; D93-R96 IonicContact OD1-NE 3.18Å; D93-R96 PolarHBondContact OD1-NE 2.91Å; D93-R96 IonicContact OD1-NH2 3.29Å; D93-R96 PolarHBondContact OD1-NH2 2.71Å; F94-R96 VanDerWaalsContact C-N 3.29Å; F94-R96 PolarHBondContact O-N 2.85Å; R96-V98 VanDerWaalsContact C-N 3.32Å; R96-V98 PolarHBondContact O-N 3.31Å; R96-S99 PolarHBondContact O-N 3.3Å; R96-S99 PolarHBondContact O-OG 2.82Å; R96-A100 VanDerWaalsContact O-CB 3.24Å; R96-A100 WeakPolarHBondContact O-CB 3.35Å; R96-A100 PolarHBondContact O-N 3.37Å |
| 97 | C | 90.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -39 | -178.7 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | D93 F94 S101 F134 D137 F138 | D93-C97 PolarHBondContact O-N 3.39Å; D93-C97 PolarHBondContact O-SG 2.89Å; D93-C97 VanDerWaalsContact O-SG 3.41Å; F94-C97 PolarHBondContact O-N 3.33Å; C97-S101 VanDerWaalsContact O-CB 3.3Å; C97-S101 WeakPolarHBondContact O-CB 3.45Å; C97-S101 PolarHBondContact O-N 3.05Å; C97-F134 HydrophobicContact CB-CD1 4.3Å; C97-D137 PolarHBondContact SG-OD2 2.94Å; C97-F138 HydrophobicContact CB-CB 4Å |
| 98 | V | 91.6 | Very high | 87.2 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 26% | 0.261 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.1 | -49.4 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | F94 R96 S101 I102 F138 | F94-V98 HydrophobicContact CD2-CG2 4.31Å; F94-V98 HydrophobicContact CE1-CG2 4.16Å; F94-V98 HydrophobicContact CE2-CG2 3.98Å; F94-V98 HydrophobicContact CZ-CG2 3.88Å; F94-V98 WeakPolarHBondContact O-CG2 3.49Å; F94-V98 PolarHBondContact O-N 3.37Å; R96-V98 VanDerWaalsContact C-N 3.32Å; R96-V98 PolarHBondContact O-N 3.31Å; V98-S101 PolarHBondContact O-N 3.3Å; V98-I102 HydrophobicContact CG1-CD1 4.09Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 2.94Å; V98-I102 VanDerWaalsContact O-N 3.16Å; V98-F138 HydrophobicContact CG2-CB 3.94Å; V98-F138 HydrophobicContact CG2-CD1 4.36Å; V98-F138 HydrophobicContact CG2-CD2 4.15Å; V98-F138 HydrophobicContact CG2-CG 3.89Å |
| 99 | S | 91.9 | Very high | 88.6 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 36% | 0.357 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 178.8 | 62 | 0 | 0 | 0 | 0 | 111.9 | L95 R96 S101 I102 I103 | L95-S99 WeakPolarHBondContact O-CB 3.26Å; L95-S99 PolarHBondContact O-N 3.01Å; L95-S99 PolarHBondContact O-OG 2.83Å; R96-S99 PolarHBondContact O-N 3.3Å; R96-S99 PolarHBondContact O-OG 2.82Å; S99-S101 PolarHBondContact O-N 3.01Å; S99-I102 PolarHBondContact O-N 2.86Å; S99-I103 WeakPolarHBondContact O-CB 3.48Å; S99-I103 WeakPolarHBondContact O-CD1 3.24Å; S99-I103 VanDerWaalsContact O-CG1 3.23Å; S99-I103 WeakPolarHBondContact O-CG1 3.42Å; S99-I103 PolarHBondContact O-N 2.94Å |
| 100 | A | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -50.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E65 R96 I102 I103 F104 F134 | E65-A100 HydrophobicContact CG-CB 3.87Å; E65-A100 WeakPolarHBondContact OE1-CB 3.28Å; E65-A100 WeakPolarHBondContact OE2-CB 3.37Å; R96-A100 VanDerWaalsContact O-CB 3.24Å; R96-A100 WeakPolarHBondContact O-CB 3.35Å; R96-A100 PolarHBondContact O-N 3.37Å; A100-I102 VanDerWaalsContact C-N 3.3Å; A100-I102 PolarHBondContact O-N 3.17Å; A100-I103 PolarHBondContact O-N 3.49Å; A100-I103 VanDerWaalsContact O-N 3.17Å; A100-F104 WeakPolarHBondContact O-CB 3.33Å; A100-F104 VanDerWaalsContact O-CD2 3.32Å; A100-F104 WeakPolarHBondContact O-CD2 3.23Å; A100-F104 PolarHBondContact O-N 2.82Å; A100-F134 HydrophobicContact CB-CD1 3.88Å; A100-F134 HydrophobicContact CB-CD2 4.22Å; A100-F134 HydrophobicContact CB-CE1 3.9Å; A100-F134 HydrophobicContact CB-CE2 4.27Å; A100-F134 HydrophobicContact CB-CG 4.06Å; A100-F134 HydrophobicContact CB-CZ 4.12Å |
| 101 | S | 94.4 | Very high | 90.3 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 12% | 0.119 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.1 | -46.1 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | C97 V98 S99 F105 T131 | C97-S101 VanDerWaalsContact O-CB 3.3Å; C97-S101 WeakPolarHBondContact O-CB 3.45Å; C97-S101 PolarHBondContact O-N 3.05Å; V98-S101 PolarHBondContact O-N 3.3Å; S99-S101 PolarHBondContact O-N 3.01Å; S101-F105 VanDerWaalsContact O-CB 3.24Å; S101-F105 WeakPolarHBondContact O-CB 3.49Å; S101-F105 PolarHBondContact O-N 3.2Å; S101-T131 PolarHBondContact O-OG1 2.95Å; S101-T131 WeakPolarHBondContact OG-CG2 3.45Å; S101-T131 PolarHBondContact OG-O 3.46Å; S101-T131 VanDerWaalsContact OG-O 3.11Å |
| 102 | I | 94.3 | Very high | 90.8 | Very high | 93 Ų | 93 | 46 Ų | 46 | 48% | 0.477 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.8 | -46 | 178.2 | -64.5 | 166.9 | 0 | 0 | 0 | 111.3 | V98 S99 A100 F105 I106 | V98-I102 HydrophobicContact CG1-CD1 4.09Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 2.94Å; V98-I102 VanDerWaalsContact O-N 3.16Å; S99-I102 PolarHBondContact O-N 2.86Å; A100-I102 VanDerWaalsContact C-N 3.3Å; A100-I102 PolarHBondContact O-N 3.17Å; I102-F105 WeakPolarHBondContact O-CB 3.49Å; I102-F105 PolarHBondContact O-N 2.68Å; I102-I106 HydrophobicContact CG2-CD1 3.85Å; I102-I106 WeakPolarHBondContact O-CG1 3.24Å; I102-I106 PolarHBondContact O-N 2.76Å |
| 103 | I | 92.8 | Very high | 91.3 | Very high | 72 Ų | 72 | 45.9 Ų | 45.9 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -49.8 | -178.8 | -70.9 | 166.1 | 0 | 0 | 0 | 110.6 | A61 S99 A100 F105 I106 I107 | A61-I103 HydrophobicContact CB-CG2 3.68Å; S99-I103 WeakPolarHBondContact O-CB 3.48Å; S99-I103 WeakPolarHBondContact O-CD1 3.24Å; S99-I103 VanDerWaalsContact O-CG1 3.23Å; S99-I103 WeakPolarHBondContact O-CG1 3.42Å; S99-I103 PolarHBondContact O-N 2.94Å; A100-I103 PolarHBondContact O-N 3.49Å; A100-I103 VanDerWaalsContact O-N 3.17Å; I103-F105 VanDerWaalsContact C-N 3.27Å; I103-F105 PolarHBondContact O-N 3.15Å; I103-I106 PolarHBondContact O-N 3.12Å; I103-I107 HydrophobicContact CG2-CD1 3.54Å; I103-I107 HydrophobicContact CG2-CG1 4.39Å; I103-I107 WeakPolarHBondContact O-CB 3.38Å; I103-I107 VanDerWaalsContact O-CG1 3.28Å; I103-I107 WeakPolarHBondContact O-CG1 3.26Å; I103-I107 PolarHBondContact O-N 3.34Å |
| 104 | F | 92.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 177.3 | -85.7 | -78.4 | 0 | 0 | 0 | 112.2 | T46 P62 E65 A100 S108 A130 F134 | T46-F104 HydrophobicContact CG2-CD1 4.14Å; T46-F104 HydrophobicContact CG2-CE1 3.66Å; P62-F104 HydrophobicContact CB-CE1 4.06Å; P62-F104 HydrophobicContact CB-CZ 3.9Å; P62-F104 HydrophobicContact CG-CE1 3.97Å; P62-F104 HydrophobicContact CG-CZ 4.16Å; E65-F104 HydrophobicContact CB-CE2 3.81Å; E65-F104 HydrophobicContact CB-CZ 4.28Å; E65-F104 HydrophobicContact CG-CE2 3.83Å; A100-F104 WeakPolarHBondContact O-CB 3.33Å; A100-F104 VanDerWaalsContact O-CD2 3.32Å; A100-F104 WeakPolarHBondContact O-CD2 3.23Å; A100-F104 PolarHBondContact O-N 2.82Å; F104-S108 WeakPolarHBondContact O-CB 3.14Å; F104-S108 PolarHBondContact O-N 2.86Å; F104-A130 HydrophobicContact CD1-CB 4.19Å; F104-A130 HydrophobicContact CG-CB 4.29Å; F104-F134 HydrophobicContact CD2-CD2 4.24Å; F104-F134 AromaticContact CD2-CE2 3.91Å; F104-F134 HydrophobicContact CD2-CE2 3.91Å; F104-F134 AromaticContact CE2-CE2 3.86Å; F104-F134 HydrophobicContact CE2-CE2 3.86Å; F104-F134 HydrophobicContact CE2-CZ 4.48Å |
| 105 | F | 95 | Very high | 91.4 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | 176.9 | -179.3 | -117.4 | 0 | 0 | 0 | 111.6 | S101 I102 I103 S108 I109 F128 T131 | S101-F105 VanDerWaalsContact O-CB 3.24Å; S101-F105 WeakPolarHBondContact O-CB 3.49Å; S101-F105 PolarHBondContact O-N 3.2Å; I102-F105 WeakPolarHBondContact O-CB 3.49Å; I102-F105 PolarHBondContact O-N 2.68Å; I103-F105 VanDerWaalsContact C-N 3.27Å; I103-F105 PolarHBondContact O-N 3.15Å; F105-S108 WeakPolarHBondContact O-CB 3.48Å; F105-S108 PolarHBondContact O-N 3.48Å; F105-I109 HydrophobicContact CD1-CD1 4.24Å; F105-I109 HydrophobicContact CD2-CD1 4.44Å; F105-I109 HydrophobicContact CE1-CD1 3.74Å; F105-I109 HydrophobicContact CE2-CD1 3.96Å; F105-I109 HydrophobicContact CE2-CG1 4.5Å; F105-I109 HydrophobicContact CZ-CD1 3.59Å; F105-I109 WeakPolarHBondContact O-CG1 3.38Å; F105-I109 PolarHBondContact O-N 2.67Å; F105-I109 VanDerWaalsContact O-N 3.07Å; F105-F128 HydrophobicContact CD2-CD2 4.23Å; F105-F128 HydrophobicContact CD2-CE2 4.16Å; F105-F128 HydrophobicContact CE2-CD2 4.39Å; F105-F128 AromaticContact CE2-CE2 3.96Å; F105-F128 HydrophobicContact CE2-CE2 3.96Å; F105-T131 WeakPolarHBondContact CA-OG1 3.34Å; F105-T131 HydrophobicContact CB-CG2 3.85Å; F105-T131 HydrophobicContact CD2-CG2 4.24Å; F105-T131 HydrophobicContact CG-CG2 4.37Å; F105-T131 PolarHBondContact N-OG1 3.23Å |
| 106 | I | 94.4 | Very high | 91.4 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 45% | 0.446 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 178.5 | -66.8 | 167.9 | 0 | 0 | 0 | 110.5 | I102 I103 S108 I109 I110 | I102-I106 HydrophobicContact CG2-CD1 3.85Å; I102-I106 WeakPolarHBondContact O-CG1 3.24Å; I102-I106 PolarHBondContact O-N 2.76Å; I103-I106 PolarHBondContact O-N 3.12Å; I106-S108 VanDerWaalsContact C-N 3.27Å; I106-S108 PolarHBondContact O-N 3.3Å; I106-I109 PolarHBondContact O-N 2.71Å; I106-I110 HydrophobicContact CG2-CD1 3.69Å; I106-I110 HydrophobicContact CG2-CG1 4.39Å; I106-I110 VanDerWaalsContact O-CG1 3.31Å; I106-I110 WeakPolarHBondContact O-CG1 3.25Å; I106-I110 PolarHBondContact O-N 2.62Å |
| 107 | I | 92.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 179.6 | -69.8 | 173.3 | 0 | 0 | 0 | 111 | F50 F58 A61 I103 I110 S111 | F50-I107 HydrophobicContact CE1-CG2 4.11Å; F50-I107 HydrophobicContact CE2-CG2 3.4Å; F50-I107 VanDerWaalsContact CE2-CG2 3.4Å; F50-I107 HydrophobicContact CZ-CG2 3.15Å; F58-I107 HydrophobicContact CB-CD1 4.32Å; F58-I107 HydrophobicContact CB-CG1 4.47Å; F58-I107 HydrophobicContact CB-CG2 4.07Å; F58-I107 HydrophobicContact CD1-CD1 4.28Å; F58-I107 HydrophobicContact CD1-CG1 3.93Å; F58-I107 HydrophobicContact CG-CG1 4.39Å; F58-I107 HydrophobicContact CG-CG2 4.32Å; A61-I107 HydrophobicContact CB-CD1 3.56Å; I103-I107 HydrophobicContact CG2-CD1 3.54Å; I103-I107 HydrophobicContact CG2-CG1 4.39Å; I103-I107 WeakPolarHBondContact O-CB 3.38Å; I103-I107 VanDerWaalsContact O-CG1 3.28Å; I103-I107 WeakPolarHBondContact O-CG1 3.26Å; I103-I107 PolarHBondContact O-N 3.34Å; I107-I110 PolarHBondContact O-N 2.95Å; I107-S111 VanDerWaalsContact O-CB 3.27Å; I107-S111 WeakPolarHBondContact O-CB 3.33Å; I107-S111 PolarHBondContact O-N 3.49Å; I107-S111 PolarHBondContact O-OG 3.02Å |
| 108 | S | 92.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 173.8 | 176 | 0 | 0 | 0 | 0 | 111.5 | F104 F105 I106 I110 S111 V112 G124 F128 | F104-S108 WeakPolarHBondContact O-CB 3.14Å; F104-S108 PolarHBondContact O-N 2.86Å; F105-S108 WeakPolarHBondContact O-CB 3.48Å; F105-S108 PolarHBondContact O-N 3.48Å; I106-S108 VanDerWaalsContact C-N 3.27Å; I106-S108 PolarHBondContact O-N 3.3Å; S108-I110 VanDerWaalsContact C-N 3.34Å; S108-I110 PolarHBondContact O-N 3.03Å; S108-S111 WeakPolarHBondContact CA-OG 3.16Å; S108-S111 PolarHBondContact O-N 3.37Å; S108-S111 PolarHBondContact O-OG 3.24Å; S108-V112 WeakPolarHBondContact O-CB 3.32Å; S108-V112 WeakPolarHBondContact O-CG2 3.48Å; S108-V112 PolarHBondContact O-N 2.78Å; S108-G124 WeakPolarHBondContact CB-O 3.31Å; S108-G124 PolarHBondContact OG-O 3.42Å; S108-F128 WeakPolarHBondContact OG-CB 3.21Å |
| 109 | I | 93.6 | Very high | 91.1 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 45% | 0.451 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 177.7 | -65.7 | 170.9 | 0 | 0 | 0 | 110.9 | F105 I106 S113 | F105-I109 HydrophobicContact CD1-CD1 4.24Å; F105-I109 HydrophobicContact CD2-CD1 4.44Å; F105-I109 HydrophobicContact CE1-CD1 3.74Å; F105-I109 HydrophobicContact CE2-CD1 3.96Å; F105-I109 HydrophobicContact CE2-CG1 4.5Å; F105-I109 HydrophobicContact CZ-CD1 3.59Å; F105-I109 WeakPolarHBondContact O-CG1 3.38Å; F105-I109 PolarHBondContact O-N 2.67Å; F105-I109 VanDerWaalsContact O-N 3.07Å; I106-I109 PolarHBondContact O-N 2.71Å; I109-S113 WeakPolarHBondContact O-CB 3Å; I109-S113 PolarHBondContact O-N 3.13Å; I109-S113 PolarHBondContact O-OG 2.87Å |
| 110 | I | 92.1 | Very high | 90.9 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | -179.6 | -65.2 | 170.7 | 0 | 0 | 0 | 111 | F58 I106 I107 S108 V112 S113 K114 F115 | F58-I110 HydrophobicContact CE1-CD1 4.34Å; F58-I110 HydrophobicContact CE2-CG2 3.82Å; F58-I110 HydrophobicContact CZ-CD1 4.23Å; F58-I110 HydrophobicContact CZ-CG2 3.75Å; I106-I110 HydrophobicContact CG2-CD1 3.69Å; I106-I110 HydrophobicContact CG2-CG1 4.39Å; I106-I110 VanDerWaalsContact O-CG1 3.31Å; I106-I110 WeakPolarHBondContact O-CG1 3.25Å; I106-I110 PolarHBondContact O-N 2.62Å; I107-I110 PolarHBondContact O-N 2.95Å; S108-I110 VanDerWaalsContact C-N 3.34Å; S108-I110 PolarHBondContact O-N 3.03Å; I110-V112 PolarHBondContact O-N 2.9Å; I110-S113 PolarHBondContact O-N 3.25Å; I110-S113 PolarHBondContact O-OG 3.43Å; I110-K114 HydrophobicContact CG2-CB 4.48Å; I110-K114 HydrophobicContact CG2-CD 4.25Å; I110-K114 HydrophobicContact CG2-CG 4.17Å; I110-K114 WeakPolarHBondContact O-CB 3.11Å; I110-K114 PolarHBondContact O-N 2.83Å; I110-F115 HydrophobicContact CG2-CE2 4.11Å |
| 111 | S | 89.9 | Confident | 90.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | I107 S108 S120 G124 | I107-S111 VanDerWaalsContact O-CB 3.27Å; I107-S111 WeakPolarHBondContact O-CB 3.33Å; I107-S111 PolarHBondContact O-N 3.49Å; I107-S111 PolarHBondContact O-OG 3.02Å; S108-S111 WeakPolarHBondContact CA-OG 3.16Å; S108-S111 PolarHBondContact O-N 3.37Å; S108-S111 PolarHBondContact O-OG 3.24Å; S111-S120 WeakPolarHBondContact CB-O 3.27Å; S111-G124 WeakPolarHBondContact OG-CA 3.43Å; S111-G124 PolarHBondContact OG-N 3.39Å |
| 112 | V | 89.2 | Confident | 90.7 | Very high | 67 Ų | 67 | 58 Ų | 58 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75.1 | -25.7 | 177 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | S108 I110 K121 | S108-V112 WeakPolarHBondContact O-CB 3.32Å; S108-V112 WeakPolarHBondContact O-CG2 3.48Å; S108-V112 PolarHBondContact O-N 2.78Å; I110-V112 PolarHBondContact O-N 2.9Å; V112-K121 PolarHBondContact O-NZ 3.48Å |
| 113 | S | 89.8 | Confident | 90.5 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 57% | 0.573 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -94.7 | -38.4 | -177.8 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | I109 I110 | I109-S113 WeakPolarHBondContact O-CB 3Å; I109-S113 PolarHBondContact O-N 3.13Å; I109-S113 PolarHBondContact O-OG 2.87Å; I110-S113 PolarHBondContact O-N 3.25Å; I110-S113 PolarHBondContact O-OG 3.43Å |
| 114 | K | 87.3 | Confident | 90.5 | Very high | 165 Ų | 165 | 50.2 Ų | 50.2 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -98.9 | -28.3 | -170.1 | -59.5 | -150.6 | 86.9 | 80.5 | 0 | 114.7 | I110 | I110-K114 HydrophobicContact CG2-CB 4.48Å; I110-K114 HydrophobicContact CG2-CD 4.25Å; I110-K114 HydrophobicContact CG2-CG 4.17Å; I110-K114 WeakPolarHBondContact O-CB 3.11Å; I110-K114 PolarHBondContact O-N 2.83Å |
| 115 | F | 87.1 | Confident | 90.6 | Very high | 44 Ų | 44 | 54 Ų | 54 | 19% | 0.193 | 31% | 0.309 | C | S | . | . | trans | -105.7 | 142 | -173.7 | -61.8 | -90.4 | 0 | 0 | 0 | 111.3 | A55 F58 I110 D117 S120 K121 | A55-F115 VanDerWaalsContact CA-CE1 3.48Å; A55-F115 HydrophobicContact CB-CD1 3.75Å; A55-F115 HydrophobicContact CB-CD2 3.88Å; A55-F115 HydrophobicContact CB-CE1 3.56Å; A55-F115 HydrophobicContact CB-CE2 3.65Å; A55-F115 HydrophobicContact CB-CG 3.9Å; A55-F115 HydrophobicContact CB-CZ 3.49Å; A55-F115 VanDerWaalsContact CB-CZ 3.49Å; F58-F115 HydrophobicContact CD2-CE2 4.28Å; F58-F115 HydrophobicContact CD2-CZ 4.4Å; F58-F115 AromaticContact CE2-CE2 3.79Å; F58-F115 HydrophobicContact CE2-CE2 3.79Å; F58-F115 AromaticContact CE2-CZ 3.93Å; F58-F115 HydrophobicContact CE2-CZ 3.93Å; I110-F115 HydrophobicContact CG2-CE2 4.11Å; F115-D117 WeakPolarHBondContact CB-OD1 3.47Å; F115-S120 VanDerWaalsContact CB-CB 3.42Å; F115-S120 WeakPolarHBondContact CB-OG 3.29Å; F115-S120 WeakPolarHBondContact CG-OG 3.36Å; F115-K121 WeakPolarHBondContact O-CE 3.34Å; F115-K121 PolarHBondContact O-NZ 2.98Å | ||
| 116 | T | 85.3 | Confident | 90.5 | Very high | 137 Ų | 137 | 53.3 Ų | 53.3 | 84% | 0.84 | 31% | 0.305 | S | S | * | . | trans | -105.1 | -8.7 | -176.8 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 117 | D | 89.6 | Confident | 90.4 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -72.4 | 142.1 | 177.7 | 63.1 | -71.3 | 0 | 0 | 0 | 111.6 | S53 T54 F115 A119 S120 K121 | S53-D117 VanDerWaalsContact CB-OD2 3.28Å; S53-D117 WeakPolarHBondContact CB-OD2 3.32Å; S53-D117 PolarHBondContact OG-OD2 3.48Å; T54-D117 PolarHBondContact OG1-OD1 3.31Å; F115-D117 WeakPolarHBondContact CB-OD1 3.47Å; D117-A119 PolarHBondContact O-N 3.03Å; D117-S120 WeakPolarHBondContact O-CB 3.47Å; D117-S120 PolarHBondContact O-N 2.95Å; D117-S120 VanDerWaalsContact OD1-CB 3.24Å; D117-S120 WeakPolarHBondContact OD1-CB 3.19Å; D117-S120 PolarHBondContact OD1-OG 2.74Å; D117-S120 WeakPolarHBondContact OD2-CB 3.48Å; D117-S120 PolarHBondContact OD2-N 3.02Å; D117-S120 PolarHBondContact OD2-OG 3.47Å; D117-K121 PolarHBondContact O-N 3.33Å |
| 118 | G | 87.3 | Confident | 90.5 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.8 | -33.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | K121 A122 | G118-K121 PolarHBondContact O-N 2.97Å; G118-A122 WeakPolarHBondContact O-CB 3.24Å; G118-A122 PolarHBondContact O-N 3.41Å |
| 119 | A | 89.1 | Confident | 90.6 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | A52 D117 K121 A122 A123 | A52-A119 HydrophobicContact CB-CB 4.41Å; D117-A119 PolarHBondContact O-N 3.03Å; A119-K121 PolarHBondContact O-N 2.66Å; A119-A122 PolarHBondContact O-N 2.91Å; A119-A123 WeakPolarHBondContact O-CB 3.39Å; A119-A123 PolarHBondContact O-N 3.38Å |
| 120 | S | 88.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 171.9 | -77.6 | 0 | 0 | 0 | 0 | 112.4 | S53 A55 S111 F115 D117 A122 A123 G124 | S53-S120 PolarHBondContact OG-OG 2.84Å; A55-S120 WeakPolarHBondContact CB-OG 3.22Å; S111-S120 WeakPolarHBondContact CB-O 3.27Å; F115-S120 VanDerWaalsContact CB-CB 3.42Å; F115-S120 WeakPolarHBondContact CB-OG 3.29Å; F115-S120 WeakPolarHBondContact CG-OG 3.36Å; D117-S120 WeakPolarHBondContact O-CB 3.47Å; D117-S120 PolarHBondContact O-N 2.95Å; D117-S120 VanDerWaalsContact OD1-CB 3.24Å; D117-S120 WeakPolarHBondContact OD1-CB 3.19Å; D117-S120 PolarHBondContact OD1-OG 2.74Å; D117-S120 WeakPolarHBondContact OD2-CB 3.48Å; D117-S120 PolarHBondContact OD2-N 3.02Å; D117-S120 PolarHBondContact OD2-OG 3.47Å; S120-A122 VanDerWaalsContact C-N 3.34Å; S120-A122 PolarHBondContact O-N 2.86Å; S120-A123 WeakPolarHBondContact O-CB 3.41Å; S120-A123 PolarHBondContact O-N 2.84Å; S120-G124 PolarHBondContact O-N 3.33Å |
| 121 | K | 90.9 | Very high | 90.6 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | -179.3 | -63.8 | -56.2 | -161.7 | -158.6 | 0 | 111 | V112 F115 D117 G118 A119 G124 V125 | V112-K121 PolarHBondContact O-NZ 3.48Å; F115-K121 WeakPolarHBondContact O-CE 3.34Å; F115-K121 PolarHBondContact O-NZ 2.98Å; D117-K121 PolarHBondContact O-N 3.33Å; G118-K121 PolarHBondContact O-N 2.97Å; A119-K121 PolarHBondContact O-N 2.66Å; K121-G124 PolarHBondContact O-N 3.28Å; K121-V125 WeakPolarHBondContact O-CG2 3.49Å; K121-V125 PolarHBondContact O-N 2.92Å |
| 122 | A | 92.3 | Very high | 90.8 | Very high | 34 Ų | 34 | 54.7 Ų | 54.7 | 28% | 0.281 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G118 A119 S120 G124 V125 F126 | G118-A122 WeakPolarHBondContact O-CB 3.24Å; G118-A122 PolarHBondContact O-N 3.41Å; A119-A122 PolarHBondContact O-N 2.91Å; S120-A122 VanDerWaalsContact C-N 3.34Å; S120-A122 PolarHBondContact O-N 2.86Å; A122-G124 PolarHBondContact O-N 3.38Å; A122-V125 PolarHBondContact O-N 2.88Å; A122-V125 VanDerWaalsContact O-N 3.13Å; A122-F126 HydrophobicContact CB-CD2 4.38Å; A122-F126 HydrophobicContact CB-CE2 4.34Å; A122-F126 WeakPolarHBondContact O-CD2 3.33Å; A122-F126 PolarHBondContact O-N 2.88Å |
| 123 | A | 90.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.8 | -39.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C49 F50 A119 S120 G127 | C49-A123 HydrophobicContact CB-CB 3.52Å; F50-A123 HydrophobicContact CD1-CB 4.14Å; F50-A123 HydrophobicContact CD2-CB 3.96Å; F50-A123 HydrophobicContact CE1-CB 3.92Å; F50-A123 HydrophobicContact CE2-CB 3.75Å; F50-A123 HydrophobicContact CG-CB 4.13Å; F50-A123 HydrophobicContact CZ-CB 3.69Å; A119-A123 WeakPolarHBondContact O-CB 3.39Å; A119-A123 PolarHBondContact O-N 3.38Å; S120-A123 WeakPolarHBondContact O-CB 3.41Å; S120-A123 PolarHBondContact O-N 2.84Å; A123-G127 WeakPolarHBondContact O-CA 3.43Å; A123-G127 PolarHBondContact O-N 3.48Å |
| 124 | G | 91.3 | Very high | 91 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S108 S111 S120 K121 A122 G127 F128 | S108-G124 WeakPolarHBondContact CB-O 3.31Å; S108-G124 PolarHBondContact OG-O 3.42Å; S111-G124 WeakPolarHBondContact OG-CA 3.43Å; S111-G124 PolarHBondContact OG-N 3.39Å; S120-G124 PolarHBondContact O-N 3.33Å; K121-G124 PolarHBondContact O-N 3.28Å; A122-G124 PolarHBondContact O-N 3.38Å; G124-G127 PolarHBondContact O-N 3.5Å; G124-F128 PolarHBondContact O-N 2.9Å |
| 125 | V | 94.3 | Very high | 91.2 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.9 | -47.2 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | K121 A122 G127 F128 I129 | K121-V125 WeakPolarHBondContact O-CG2 3.49Å; K121-V125 PolarHBondContact O-N 2.92Å; A122-V125 PolarHBondContact O-N 2.88Å; A122-V125 VanDerWaalsContact O-N 3.13Å; V125-G127 VanDerWaalsContact C-N 3.33Å; V125-G127 PolarHBondContact O-N 3.33Å; V125-F128 WeakPolarHBondContact O-CB 3.44Å; V125-F128 PolarHBondContact O-N 3.49Å; V125-I129 HydrophobicContact CG1-CD1 4.23Å; V125-I129 WeakPolarHBondContact O-CG1 3.42Å; V125-I129 PolarHBondContact O-N 2.97Å |
| 126 | F | 93.3 | Very high | 91.4 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 176.9 | -72.2 | -63.2 | 0 | 0 | 0 | 112.3 | L42 I45 A122 F128 I129 A130 | L42-F126 HydrophobicContact CD2-CD1 4.49Å; I45-F126 HydrophobicContact CG2-CB 4.24Å; I45-F126 HydrophobicContact CG2-CD1 4.02Å; I45-F126 HydrophobicContact CG2-CD2 3.66Å; I45-F126 HydrophobicContact CG2-CE1 4.29Å; I45-F126 HydrophobicContact CG2-CE2 3.96Å; I45-F126 HydrophobicContact CG2-CG 3.71Å; I45-F126 HydrophobicContact CG2-CZ 4.27Å; A122-F126 HydrophobicContact CB-CD2 4.38Å; A122-F126 HydrophobicContact CB-CE2 4.34Å; A122-F126 WeakPolarHBondContact O-CD2 3.33Å; A122-F126 PolarHBondContact O-N 2.88Å; F126-F128 VanDerWaalsContact C-N 3.33Å; F126-F128 PolarHBondContact O-N 3.47Å; F126-I129 HydrophobicContact CD1-CD1 4.39Å; F126-I129 PolarHBondContact O-N 3.08Å; F126-A130 WeakPolarHBondContact O-CB 3.38Å; F126-A130 PolarHBondContact O-N 3.3Å |
| 127 | G | 92.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A123 G124 V125 A130 T131 | A123-G127 WeakPolarHBondContact O-CA 3.43Å; A123-G127 PolarHBondContact O-N 3.48Å; G124-G127 PolarHBondContact O-N 3.5Å; V125-G127 VanDerWaalsContact C-N 3.33Å; V125-G127 PolarHBondContact O-N 3.33Å; G127-A130 WeakPolarHBondContact O-CB 3.47Å; G127-A130 PolarHBondContact O-N 2.83Å; G127-T131 PolarHBondContact O-N 2.9Å; G127-T131 PolarHBondContact O-OG1 2.9Å |
| 128 | F | 94.2 | Very high | 91.5 | Very high | 97 Ų | 97 | 39.9 Ų | 39.9 | 43% | 0.425 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67 | -41.8 | 174.3 | -170.4 | -104.2 | 0 | 0 | 0 | 112.1 | F105 S108 G124 V125 F126 A130 T131 I132 | F105-F128 HydrophobicContact CD2-CD2 4.23Å; F105-F128 HydrophobicContact CD2-CE2 4.16Å; F105-F128 HydrophobicContact CE2-CD2 4.39Å; F105-F128 AromaticContact CE2-CE2 3.96Å; F105-F128 HydrophobicContact CE2-CE2 3.96Å; S108-F128 WeakPolarHBondContact OG-CB 3.21Å; G124-F128 PolarHBondContact O-N 2.9Å; V125-F128 WeakPolarHBondContact O-CB 3.44Å; V125-F128 PolarHBondContact O-N 3.49Å; F126-F128 VanDerWaalsContact C-N 3.33Å; F126-F128 PolarHBondContact O-N 3.47Å; F128-A130 VanDerWaalsContact C-N 3.3Å; F128-A130 PolarHBondContact O-N 3.4Å; F128-T131 WeakPolarHBondContact O-CB 3.42Å; F128-T131 PolarHBondContact O-N 2.73Å; F128-I132 HydrophobicContact CD1-CD1 4.21Å; F128-I132 HydrophobicContact CE1-CD1 3.9Å; F128-I132 PolarHBondContact O-N 3.32Å |
| 129 | I | 94.6 | Very high | 91.6 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 173.5 | -63.6 | 166.3 | 0 | 0 | 0 | 109.8 | L42 V125 F126 T131 I132 V133 | L42-I129 HydrophobicContact CD1-CG2 4.09Å; L42-I129 HydrophobicContact CD2-CB 4.38Å; L42-I129 HydrophobicContact CD2-CG2 3.92Å; V125-I129 HydrophobicContact CG1-CD1 4.23Å; V125-I129 WeakPolarHBondContact O-CG1 3.42Å; V125-I129 PolarHBondContact O-N 2.97Å; F126-I129 HydrophobicContact CD1-CD1 4.39Å; F126-I129 PolarHBondContact O-N 3.08Å; I129-T131 VanDerWaalsContact C-N 3.33Å; I129-T131 PolarHBondContact O-N 3.45Å; I129-I132 PolarHBondContact O-N 3.32Å; I129-I132 VanDerWaalsContact O-N 3.14Å; I129-V133 PolarHBondContact O-N 3.18Å |
| 130 | A | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.5 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L42 F104 F126 G127 F128 I132 V133 F134 | L42-A130 HydrophobicContact CB-CB 4Å; F104-A130 HydrophobicContact CD1-CB 4.19Å; F104-A130 HydrophobicContact CG-CB 4.29Å; F126-A130 WeakPolarHBondContact O-CB 3.38Å; F126-A130 PolarHBondContact O-N 3.3Å; G127-A130 WeakPolarHBondContact O-CB 3.47Å; G127-A130 PolarHBondContact O-N 2.83Å; F128-A130 VanDerWaalsContact C-N 3.3Å; F128-A130 PolarHBondContact O-N 3.4Å; A130-I132 VanDerWaalsContact C-N 3.27Å; A130-I132 PolarHBondContact O-N 3.22Å; A130-V133 PolarHBondContact O-N 3.28Å; A130-V133 VanDerWaalsContact O-N 3.1Å; A130-F134 HydrophobicContact CB-CD2 4.28Å; A130-F134 HydrophobicContact CB-CE2 4.3Å; A130-F134 WeakPolarHBondContact O-CD2 3.45Å; A130-F134 PolarHBondContact O-N 3.28Å |
| 131 | T | 94.4 | Very high | 91.5 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.1 | -44.3 | 174.9 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | S101 F105 G127 F128 I129 A135 | S101-T131 PolarHBondContact O-OG1 2.95Å; S101-T131 WeakPolarHBondContact OG-CG2 3.45Å; S101-T131 PolarHBondContact OG-O 3.46Å; S101-T131 VanDerWaalsContact OG-O 3.11Å; F105-T131 WeakPolarHBondContact CA-OG1 3.34Å; F105-T131 HydrophobicContact CB-CG2 3.85Å; F105-T131 HydrophobicContact CD2-CG2 4.24Å; F105-T131 HydrophobicContact CG-CG2 4.37Å; F105-T131 PolarHBondContact N-OG1 3.23Å; G127-T131 PolarHBondContact O-N 2.9Å; G127-T131 PolarHBondContact O-OG1 2.9Å; F128-T131 WeakPolarHBondContact O-CB 3.42Å; F128-T131 PolarHBondContact O-N 2.73Å; I129-T131 VanDerWaalsContact C-N 3.33Å; I129-T131 PolarHBondContact O-N 3.45Å; T131-A135 WeakPolarHBondContact O-CB 3.36Å; T131-A135 PolarHBondContact O-N 3.31Å |
| 132 | I | 93.9 | Very high | 91.3 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 44% | 0.436 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.9 | -44 | 178.6 | -61.8 | 170.2 | 0 | 0 | 0 | 110.5 | F128 I129 A130 A135 L136 | F128-I132 HydrophobicContact CD1-CD1 4.21Å; F128-I132 HydrophobicContact CE1-CD1 3.9Å; F128-I132 PolarHBondContact O-N 3.32Å; I129-I132 PolarHBondContact O-N 3.32Å; I129-I132 VanDerWaalsContact O-N 3.14Å; A130-I132 VanDerWaalsContact C-N 3.27Å; A130-I132 PolarHBondContact O-N 3.22Å; I132-A135 WeakPolarHBondContact O-CB 3.24Å; I132-A135 PolarHBondContact O-N 3.48Å; I132-L136 HydrophobicContact CG2-CD1 4.45Å; I132-L136 WeakPolarHBondContact O-CG 3.42Å; I132-L136 PolarHBondContact O-N 3.48Å |
| 133 | V | 91.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -47.9 | 179.5 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L35 A38 E39 L42 I129 A130 A135 L136 D137 | L35-V133 HydrophobicContact CD2-CG1 4.28Å; A38-V133 HydrophobicContact CB-CG1 4.02Å; E39-V133 HydrophobicContact CG-CG1 3.98Å; L42-V133 HydrophobicContact CD1-CB 3.94Å; L42-V133 HydrophobicContact CD1-CG1 4.31Å; L42-V133 HydrophobicContact CD1-CG2 3.54Å; I129-V133 PolarHBondContact O-N 3.18Å; A130-V133 PolarHBondContact O-N 3.28Å; A130-V133 VanDerWaalsContact O-N 3.1Å; V133-A135 PolarHBondContact O-N 2.96Å; V133-L136 WeakPolarHBondContact O-CB 3.48Å; V133-L136 PolarHBondContact O-N 3.22Å; V133-L136 VanDerWaalsContact O-N 3.13Å; V133-D137 PolarHBondContact O-N 3.47Å |
| 134 | F | 90.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -33.5 | 173.3 | -79 | -66.5 | 0 | 0 | 0 | 112.3 | E39 E65 C97 A100 F104 A130 D137 F138 | E39-F134 HydrophobicContact CB-CE1 3.96Å; E39-F134 HydrophobicContact CB-CZ 3.94Å; E39-F134 HydrophobicContact CG-CD1 3.86Å; E39-F134 HydrophobicContact CG-CE1 3.58Å; E39-F134 HydrophobicContact CG-CE2 4.5Å; E39-F134 HydrophobicContact CG-CG 4.43Å; E39-F134 HydrophobicContact CG-CZ 3.91Å; E39-F134 WeakPolarHBondContact OE1-CD1 3.45Å; E39-F134 WeakPolarHBondContact OE1-CE1 3.39Å; E39-F134 VanDerWaalsContact OE2-CE1 3.27Å; E39-F134 WeakPolarHBondContact OE2-CE1 3.24Å; E65-F134 HydrophobicContact CG-CE1 4.11Å; E65-F134 HydrophobicContact CG-CE2 4.22Å; E65-F134 HydrophobicContact CG-CZ 3.52Å; C97-F134 HydrophobicContact CB-CD1 4.3Å; A100-F134 HydrophobicContact CB-CD1 3.88Å; A100-F134 HydrophobicContact CB-CD2 4.22Å; A100-F134 HydrophobicContact CB-CE1 3.9Å; A100-F134 HydrophobicContact CB-CE2 4.27Å; A100-F134 HydrophobicContact CB-CG 4.06Å; A100-F134 HydrophobicContact CB-CZ 4.12Å; F104-F134 HydrophobicContact CD2-CD2 4.24Å; F104-F134 AromaticContact CD2-CE2 3.91Å; F104-F134 HydrophobicContact CD2-CE2 3.91Å; F104-F134 AromaticContact CE2-CE2 3.86Å; F104-F134 HydrophobicContact CE2-CE2 3.86Å; F104-F134 HydrophobicContact CE2-CZ 4.48Å; A130-F134 HydrophobicContact CB-CD2 4.28Å; A130-F134 HydrophobicContact CB-CE2 4.3Å; A130-F134 WeakPolarHBondContact O-CD2 3.45Å; A130-F134 PolarHBondContact O-N 3.28Å; F134-D137 PolarHBondContact O-N 3.13Å; F134-F138 PolarHBondContact O-N 3.37Å |
| 135 | A | 92.3 | Very high | 90.5 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 26% | 0.256 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T131 I132 V133 F138 Y139 | T131-A135 WeakPolarHBondContact O-CB 3.36Å; T131-A135 PolarHBondContact O-N 3.31Å; I132-A135 WeakPolarHBondContact O-CB 3.24Å; I132-A135 PolarHBondContact O-N 3.48Å; V133-A135 PolarHBondContact O-N 2.96Å; A135-F138 HydrophobicContact CB-CD1 4.49Å; A135-F138 HydrophobicContact CB-CE1 4.47Å; A135-F138 WeakPolarHBondContact O-CD1 3.33Å; A135-F138 WeakPolarHBondContact O-CE1 3.48Å; A135-Y139 PolarHBondContact O-N 3.17Å |
| 136 | L | 90.8 | Very high | 90.1 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 174.9 | -66.9 | 173.9 | 0 | 0 | 0 | 111.4 | L35 I132 V133 Y139 F140 | L35-L136 HydrophobicContact CD2-CB 4.36Å; I132-L136 HydrophobicContact CG2-CD1 4.45Å; I132-L136 WeakPolarHBondContact O-CG 3.42Å; I132-L136 PolarHBondContact O-N 3.48Å; V133-L136 WeakPolarHBondContact O-CB 3.48Å; V133-L136 PolarHBondContact O-N 3.22Å; V133-L136 VanDerWaalsContact O-N 3.13Å; L136-Y139 WeakPolarHBondContact O-CB 3.37Å; L136-Y139 PolarHBondContact O-N 2.81Å; L136-F140 VanDerWaalsContact O-CD2 3.24Å; L136-F140 WeakPolarHBondContact O-CD2 3.12Å; L136-F140 PolarHBondContact O-N 2.95Å |
| 137 | D | 88.7 | Confident | 89.7 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | -179.7 | -164.4 | 56 | 0 | 0 | 0 | 111.9 | L35 E39 C97 V133 F134 Y139 F140 I141 | L35-D137 WeakPolarHBondContact CB-OD1 3.32Å; L35-D137 HydrophobicContact CD2-CB 4.41Å; E39-D137 WeakPolarHBondContact OE1-CB 3.48Å; E39-D137 VanDerWaalsContact OE1-CG 3.26Å; C97-D137 PolarHBondContact SG-OD2 2.94Å; V133-D137 PolarHBondContact O-N 3.47Å; F134-D137 PolarHBondContact O-N 3.13Å; D137-Y139 VanDerWaalsContact C-N 3.29Å; D137-Y139 PolarHBondContact O-N 3.26Å; D137-F140 PolarHBondContact O-N 3.37Å; D137-I141 WeakPolarHBondContact O-CG1 3.33Å; D137-I141 PolarHBondContact O-N 3.38Å; D137-I141 WeakPolarHBondContact OD2-CD1 3.24Å |
| 138 | F | 88.7 | Confident | 89.2 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 173.3 | 107.1 | -109.5 | 0 | 0 | 0 | 111.4 | F94 C97 V98 F134 A135 F140 I141 F142 | F94-F138 HydrophobicContact CD2-CB 4.33Å; F94-F138 HydrophobicContact CD2-CD2 4.08Å; F94-F138 AromaticContact CE2-CD2 3.53Å; F94-F138 HydrophobicContact CE2-CD2 3.53Å; F94-F138 HydrophobicContact CE2-CE2 4.23Å; F94-F138 HydrophobicContact CE2-CG 4.4Å; F94-F138 HydrophobicContact CZ-CD2 4.47Å; C97-F138 HydrophobicContact CB-CB 4Å; V98-F138 HydrophobicContact CG2-CB 3.94Å; V98-F138 HydrophobicContact CG2-CD1 4.36Å; V98-F138 HydrophobicContact CG2-CD2 4.15Å; V98-F138 HydrophobicContact CG2-CG 3.89Å; F134-F138 PolarHBondContact O-N 3.37Å; A135-F138 HydrophobicContact CB-CD1 4.49Å; A135-F138 HydrophobicContact CB-CE1 4.47Å; A135-F138 WeakPolarHBondContact O-CD1 3.33Å; A135-F138 WeakPolarHBondContact O-CE1 3.48Å; F138-F140 VanDerWaalsContact C-N 3.31Å; F138-F140 PolarHBondContact O-N 3.28Å; F138-I141 PolarHBondContact O-N 2.85Å; F138-F142 HydrophobicContact CD2-CB 4.34Å; F138-F142 VanDerWaalsContact O-CB 3.24Å; F138-F142 WeakPolarHBondContact O-CB 3.36Å; F138-F142 PolarHBondContact O-N 2.88Å |
| 139 | Y | 89.9 | Confident | 88.6 | Confident | 135 Ų | 135 | 58.4 Ų | 58.4 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 179.6 | 174 | -97.6 | 0 | 0 | 0 | 111.4 | A135 L136 D137 N143 | A135-Y139 PolarHBondContact O-N 3.17Å; L136-Y139 WeakPolarHBondContact O-CB 3.37Å; L136-Y139 PolarHBondContact O-N 2.81Å; D137-Y139 VanDerWaalsContact C-N 3.29Å; D137-Y139 PolarHBondContact O-N 3.26Å; Y139-N143 WeakPolarHBondContact O-CB 3.28Å; Y139-N143 PolarHBondContact O-N 3.21Å |
| 140 | F | 86.8 | Confident | 88.1 | Confident | 65 Ų | 65 | 63 Ų | 63 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 174.8 | -84.7 | -72.9 | 0 | 0 | 0 | 112.1 | L35 L136 D137 F138 F142 N143 D144 | L35-F140 HydrophobicContact CD1-CD2 3.69Å; L35-F140 HydrophobicContact CD1-CE2 4.17Å; L35-F140 HydrophobicContact CD1-CG 4.35Å; L136-F140 VanDerWaalsContact O-CD2 3.24Å; L136-F140 WeakPolarHBondContact O-CD2 3.12Å; L136-F140 PolarHBondContact O-N 2.95Å; D137-F140 PolarHBondContact O-N 3.37Å; F138-F140 VanDerWaalsContact C-N 3.31Å; F138-F140 PolarHBondContact O-N 3.28Å; F140-F142 VanDerWaalsContact C-N 3.32Å; F140-F142 PolarHBondContact O-N 2.93Å; F140-N143 PolarHBondContact O-N 3.12Å; F140-D144 WeakPolarHBondContact O-CB 2.9Å; F140-D144 PolarHBondContact O-N 3.42Å |
| 141 | I | 86.9 | Confident | 87.4 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 178 | -64.3 | 165.7 | 0 | 0 | 0 | 110.7 | P90 D93 F94 D137 F138 D144 L145 | P90-I141 WeakPolarHBondContact O-CG2 3.29Å; D93-I141 HydrophobicContact CB-CD1 4.23Å; F94-I141 HydrophobicContact CB-CG2 3.79Å; D137-I141 WeakPolarHBondContact O-CG1 3.33Å; D137-I141 PolarHBondContact O-N 3.38Å; D137-I141 WeakPolarHBondContact OD2-CD1 3.24Å; F138-I141 PolarHBondContact O-N 2.85Å; I141-D144 PolarHBondContact O-N 3.32Å; I141-L145 WeakPolarHBondContact O-CB 3.37Å; I141-L145 PolarHBondContact O-N 2.66Å |
| 142 | F | 87.8 | Confident | 85.9 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 46% | 0.456 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.5 | 178.6 | -97.6 | 0 | 0 | 0 | 111.9 | F94 F138 F140 D144 L145 A146 | F94-F142 HydrophobicContact CD2-CB 4.3Å; F94-F142 HydrophobicContact CE2-CB 4.04Å; F94-F142 HydrophobicContact CE2-CD2 4.07Å; F94-F142 HydrophobicContact CE2-CG 4.48Å; F138-F142 HydrophobicContact CD2-CB 4.34Å; F138-F142 VanDerWaalsContact O-CB 3.24Å; F138-F142 WeakPolarHBondContact O-CB 3.36Å; F138-F142 PolarHBondContact O-N 2.88Å; F140-F142 VanDerWaalsContact C-N 3.32Å; F140-F142 PolarHBondContact O-N 2.93Å; F142-D144 VanDerWaalsContact C-N 3.31Å; F142-D144 PolarHBondContact O-N 3.12Å; F142-L145 PolarHBondContact O-N 3.34Å; F142-A146 VanDerWaalsContact O-CB 3.27Å; F142-A146 WeakPolarHBondContact O-CB 3.5Å; F142-A146 PolarHBondContact O-N 3.27Å |
| 143 | N | 87.6 | Confident | 84.1 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.9 | -173.7 | 62.1 | 0 | 0 | 0 | 111.7 | Y139 F140 N147 | Y139-N143 WeakPolarHBondContact O-CB 3.28Å; Y139-N143 PolarHBondContact O-N 3.21Å; F140-N143 PolarHBondContact O-N 3.12Å; N143-N147 WeakPolarHBondContact O-CB 3.44Å; N143-N147 PolarHBondContact O-N 3.09Å; N143-N147 PolarHBondContact O-ND2 2.96Å |
| 144 | D | 84.7 | Confident | 82.4 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 174.7 | -153.7 | 31.9 | 0 | 0 | 0 | 110.7 | K32 F140 I141 F142 A146 N147 F148 | K32-D144 IonicContact NZ-OD2 2.67Å; K32-D144 PolarHBondContact NZ-OD2 3.06Å; F140-D144 WeakPolarHBondContact O-CB 2.9Å; F140-D144 PolarHBondContact O-N 3.42Å; I141-D144 PolarHBondContact O-N 3.32Å; F142-D144 VanDerWaalsContact C-N 3.31Å; F142-D144 PolarHBondContact O-N 3.12Å; D144-A146 PolarHBondContact O-N 2.99Å; D144-N147 WeakPolarHBondContact O-CB 3.29Å; D144-N147 PolarHBondContact O-N 3.4Å; D144-F148 HydrophobicContact CB-CE2 4.36Å; D144-F148 VanDerWaalsContact CG-CE2 3.48Å; D144-F148 WeakPolarHBondContact O-CD2 3.45Å; D144-F148 PolarHBondContact O-N 2.98Å |
| 145 | L | 83.9 | Confident | 80.4 | Confident | 37 Ų | 37 | 81.3 Ų | 81.3 | 19% | 0.194 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 176.2 | 179.7 | 71.2 | 0 | 0 | 0 | 112.6 | L91 I141 F142 N147 F148 L149 | L91-L145 HydrophobicContact CD2-CD1 3.95Å; L91-L145 HydrophobicContact CD2-CD2 3.35Å; L91-L145 HydrophobicContact CD2-CG 4.29Å; I141-L145 WeakPolarHBondContact O-CB 3.37Å; I141-L145 PolarHBondContact O-N 2.66Å; F142-L145 PolarHBondContact O-N 3.34Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 2.87Å; L145-F148 PolarHBondContact O-N 3.01Å; L145-L149 HydrophobicContact CD1-CG 4.47Å; L145-L149 HydrophobicContact CG-CD1 4.1Å; L145-L149 HydrophobicContact CG-CG 4.43Å; L145-L149 WeakPolarHBondContact O-CG 3.13Å; L145-L149 PolarHBondContact O-N 3.29Å |
| 146 | A | 86.5 | Confident | 78.5 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F142 D144 K150 | F142-A146 VanDerWaalsContact O-CB 3.27Å; F142-A146 WeakPolarHBondContact O-CB 3.5Å; F142-A146 PolarHBondContact O-N 3.27Å; D144-A146 PolarHBondContact O-N 2.99Å; A146-K150 WeakPolarHBondContact O-CB 3.27Å; A146-K150 PolarHBondContact O-N 2.98Å |
| 147 | N | 84.9 | Confident | 76.5 | Confident | 75 Ų | 75 | 85.6 Ų | 85.6 | 40% | 0.401 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 174.4 | -70.7 | -31 | 0 | 0 | 0 | 112.2 | N143 D144 L145 K150 Q151 | N143-N147 WeakPolarHBondContact O-CB 3.44Å; N143-N147 PolarHBondContact O-N 3.09Å; N143-N147 PolarHBondContact O-ND2 2.96Å; D144-N147 WeakPolarHBondContact O-CB 3.29Å; D144-N147 PolarHBondContact O-N 3.4Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 2.87Å; N147-K150 PolarHBondContact O-N 3.31Å; N147-Q151 PolarHBondContact O-N 2.59Å |
| 148 | F | 81.6 | Confident | 74.4 | Confident | 118 Ų | 118 | 92.8 Ų | 92.8 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 174.6 | -73.5 | -61.7 | 0 | 0 | 0 | 112.5 | D144 L145 K150 Q151 G152 | D144-F148 HydrophobicContact CB-CE2 4.36Å; D144-F148 VanDerWaalsContact CG-CE2 3.48Å; D144-F148 WeakPolarHBondContact O-CD2 3.45Å; D144-F148 PolarHBondContact O-N 2.98Å; L145-F148 PolarHBondContact O-N 3.01Å; F148-K150 VanDerWaalsContact C-N 3.27Å; F148-K150 PolarHBondContact O-N 2.98Å; F148-Q151 PolarHBondContact O-N 3.28Å; F148-G152 PolarHBondContact O-N 2.64Å |
| 149 | L | 81.8 | Confident | 72.5 | Confident | 120 Ų | 120 | 94.3 Ų | 94.3 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -38.1 | 176.4 | -69.9 | 172.6 | 0 | 0 | 0 | 111.3 | L145 G152 G153 | L145-L149 HydrophobicContact CD1-CG 4.47Å; L145-L149 HydrophobicContact CG-CD1 4.1Å; L145-L149 HydrophobicContact CG-CG 4.43Å; L145-L149 WeakPolarHBondContact O-CG 3.13Å; L145-L149 PolarHBondContact O-N 3.29Å; L149-G152 PolarHBondContact O-N 3.26Å; L149-G153 PolarHBondContact O-N 3.35Å; L149-G153 VanDerWaalsContact O-N 3.16Å |
| 150 | K | 83.8 | Confident | 70.2 | Confident | 169 Ų | 169 | 93.8 Ų | 93.8 | 74% | 0.735 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 176.1 | -168.4 | 176.1 | 178.9 | -176.4 | 0 | 112.7 | A146 N147 F148 | A146-K150 WeakPolarHBondContact O-CB 3.27Å; A146-K150 PolarHBondContact O-N 2.98Å; N147-K150 PolarHBondContact O-N 3.31Å; F148-K150 VanDerWaalsContact C-N 3.27Å; F148-K150 PolarHBondContact O-N 2.98Å |
| 151 | Q | 77.2 | Confident | 68.1 | Low | 136 Ų | 136 | 102 Ų | 102 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -74.3 | -36.8 | 175.5 | -76.1 | 177.1 | 8.2 | 0 | 0 | 112.8 | N147 F148 G153 D154 | N147-Q151 PolarHBondContact O-N 2.59Å; F148-Q151 PolarHBondContact O-N 3.28Å; Q151-G153 PolarHBondContact O-N 3.17Å; Q151-D154 PolarHBondContact O-N 3.49Å |
| 152 | G | 63.2 | Low | 66.3 | Low | 58 Ų | 58 | 107 Ų | 107 | 60% | 0.598 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.2 | -22.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F148 L149 | F148-G152 PolarHBondContact O-N 2.64Å; L149-G152 PolarHBondContact O-N 3.26Å |
| 153 | G | 56.8 | Low | 64.1 | Low | 56 Ų | 56 | 107 Ų | 107 | 58% | 0.577 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -16 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L149 Q151 | L149-G153 PolarHBondContact O-N 3.35Å; L149-G153 VanDerWaalsContact O-N 3.16Å; Q151-G153 PolarHBondContact O-N 3.17Å |
| 154 | D | 55 | Low | 62.1 | Low | 145 Ų | 145 | 111 Ų | 111 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -10 | -177.9 | -157.5 | 53.4 | 0 | 0 | 0 | 112.6 | Q151 G156 | Q151-D154 PolarHBondContact O-N 3.49Å; D154-G156 VanDerWaalsContact C-N 3.32Å |
| 155 | S | 50.3 | Low | 60.3 | Low | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -92 | 13.2 | 178.3 | -51.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 156 | G | 51.8 | Low | 58.3 | Low | 56 Ų | 56 | 122.8 Ų | 122.8 | 58% | 0.577 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -110.6 | -12.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | D154 | D154-G156 VanDerWaalsContact C-N 3.32Š|
| 157 | D | 47.6 | Very low | 56.6 | Low | 152 Ų | 152 | 127 Ų | 127 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | trans | -128.7 | 63.7 | -172.7 | -72.5 | -36 | 0 | 0 | 0 | 112.4 | ||||
| 158 | D | 45.7 | Very low | 55 | Low | 159 Ų | 159 | 128.4 Ų | 128.4 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | trans | -94.6 | 108.6 | 148 | -93.4 | -39.2 | 0 | 0 | 0 | 107.3 | ||||
| 159 | P | 47.9 | Very low | 53.7 | Low | 100 Ų | 100 | 129.9 Ų | 129.9 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | trans | -61.7 | 142.9 | 170.5 | 24.9 | -30.6 | 0 | 0 | 0 | 108.8 | R161 | P159-R161 PolarHBondContact O-N 2.96Š| ||
| 160 | P | 43.3 | Very low | 52.6 | Low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -60 | 112.6 | 171.4 | -4.2 | 15.6 | 0 | 0 | 0 | 107 | T162 | P160-T162 PolarHBondContact O-N 3.03Š| ||
| 161 | R | 41.5 | Very low | 51.6 | Low | 237 Ų | 237 | 129.3 Ų | 129.3 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | trans | -52.2 | 115.1 | 165.4 | -85.7 | -177.9 | 145.2 | 112.9 | -3.3 | 106.9 | P159 S163 | P159-R161 PolarHBondContact O-N 2.96Å; R161-S163 PolarHBondContact O-N 3.02Å | ||
| 162 | T | 49.1 | Very low | 50.6 | Low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -49.3 | 101.4 | 165.6 | 21.1 | 0 | 0 | 0 | 0 | 109.3 | P160 | P160-T162 PolarHBondContact O-N 3.03Š| ||
| 163 | S | 43 | Very low | 49.8 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -95.3 | 82.4 | 146.1 | 57.8 | 0 | 0 | 0 | 0 | 105.8 | R161 Y165 | R161-S163 PolarHBondContact O-N 3.02Å; S163-Y165 PolarHBondContact O-N 3.3Å; S163-Y165 VanDerWaalsContact O-N 3.13Å | ||
| 164 | E | 44.8 | Very low | 49.4 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -51 | 116.9 | 162.8 | -98.6 | 169.6 | 95.1 | 0 | 0 | 108 | N166 | E164-N166 PolarHBondContact O-N 3.03Š| ||
| 165 | Y | 47.2 | Very low | 49.1 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -51.2 | 117.8 | 153.5 | -91.5 | -103 | 0 | 0 | 0 | 107.9 | S163 | S163-Y165 PolarHBondContact O-N 3.3Å; S163-Y165 VanDerWaalsContact O-N 3.13Å | ||
| 166 | N | 40.8 | Very low | 49 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -125.4 | 87.7 | 148.7 | -106.7 | -14.3 | 0 | 0 | 0 | 106.8 | E164 S168 | E164-N166 PolarHBondContact O-N 3.03Å; N166-S168 PolarHBondContact O-N 3.39Å | ||
| 167 | D | 51.2 | Low | 48.9 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | trans | -55.1 | 123.1 | 149.2 | -73.1 | -51.4 | 0 | 0 | 0 | 107.4 | ||||
| 168 | S | 51.9 | Low | 49 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -138.2 | 89.5 | 162.4 | -74.4 | 0 | 0 | 0 | 0 | 106.6 | N166 S170 | N166-S168 PolarHBondContact O-N 3.39Å; S168-S170 PolarHBondContact O-N 3.49Å | ||
| 169 | D | 54.7 | Low | 49.2 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -48.8 | 128.6 | 159 | -67.1 | -44.5 | 0 | 0 | 0 | 109.3 | ||||
| 170 | S | 58 | Low | 49.3 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -151.1 | 88.6 | 157.7 | -82.9 | 0 | 0 | 0 | 0 | 108.5 | S168 | S168-S170 PolarHBondContact O-N 3.49Š| ||
| 171 | D | 62.1 | Low | 49.7 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -57.3 | 135.9 | 149.7 | -72.7 | -41.4 | 0 | 0 | 0 | 109.2 | ||||
| 172 | S | 57 | Low | 50.4 | Low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 176.8 | 117.3 | 139 | -92.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 173 | D | 45.3 | Very low | 50.5 | Low | 238 Ų | 238 | 145.9 Ų | 145.9 | 100% | 1.273 | 81% | 0.811 | S | S | * | * | trans | 60.9 | 0 | 152.6 | -55.2 | -20 | 0 | 0 | 0 | 122.1 |
Retrieved 173 of 173 residues in 329 ms
(Link to these results)