| 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 | 41 | Very low | 41.6 | Very low | 234 Ų | 234 | 152.5 Ų | 152.5 | 100% | 1.153 | 82% | 0.815 | S | S | * | * | 0 | 127.8 | 0 | -108.5 | 169.9 | 177.9 | 0 | 0 | 107.2 | |||||
| 2 | T | 40.3 | Very low | 42.1 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 62.9 | 127 | 174.3 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 3 | W | 30.9 | Very low | 42.7 | Very low | 235 Ų | 235 | 142.5 Ų | 142.5 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | -147.1 | 145.8 | 55.9 | -89.3 | 79.3 | 0 | 0 | 0 | 114.4 | |||||
| 4 | N | 40.3 | Very low | 43.5 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -55.1 | 138.9 | 162.7 | -84.2 | -11.1 | 0 | 0 | 0 | 111.3 | ||||
| 5 | D | 35.6 | Very low | 44.2 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 92% | 0.92 | 76% | 0.757 | S | S | * | * | trans | -133 | 114 | 139.6 | -109.1 | -27.1 | 0 | 0 | 0 | 108 | ||||
| 6 | T | 40.1 | Very low | 45 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | trans | -112.8 | 125.2 | 172.1 | -25.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 7 | T | 49.8 | Very low | 45.7 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | trans | -30.9 | 140.3 | 172.6 | 47.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 8 | M | 35.5 | Very low | 47.3 | Very low | 190 Ų | 190 | 139 Ų | 139 | 94% | 0.936 | 73% | 0.734 | S | S | * | * | trans | -149.5 | 128.5 | 153.5 | -85.9 | -66.4 | 162.6 | 0 | 0 | 110.5 | ||||
| 9 | D | 43.3 | Very low | 49 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | trans | -103.1 | 137.4 | -159.2 | -32.4 | -44.7 | 0 | 0 | 0 | 110.7 | E11 G12 | D9-E11 PolarHBondContact O-N 3.34Å; D9-E11 VanDerWaalsContact O-N 3.13Å; D9-G12 PolarHBondContact O-N 3.48Å | ||
| 10 | G | 50.8 | Low | 50.8 | Low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 6.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 11 | E | 49.9 | Very low | 52.5 | Low | 167 Ų | 167 | 129 Ų | 129 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -14.4 | 176.4 | -70 | -156.6 | 143.1 | 0 | 0 | 113.7 | D9 V15 | D9-E11 PolarHBondContact O-N 3.34Å; D9-E11 VanDerWaalsContact O-N 3.13Å; E11-V15 WeakPolarHBondContact O-CG2 3.33Å |
| 12 | G | 47.7 | Very low | 54.6 | Low | 41 Ų | 41 | 122.6 Ų | 122.6 | 42% | 0.423 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73.6 | -34.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D9 E16 | D9-G12 PolarHBondContact O-N 3.48Å; G12-E16 VanDerWaalsContact O-CB 3.31Å; G12-E16 WeakPolarHBondContact O-CB 3.35Å; G12-E16 PolarHBondContact O-N 3.45Å |
| 13 | L | 49.8 | Very low | 57 | Low | 134 Ų | 134 | 122.2 Ų | 122.2 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.5 | -34.4 | -169.7 | -162.6 | 82 | 0 | 0 | 0 | 113.6 | R17 | L13-R17 WeakPolarHBondContact O-CB 3.46Å; L13-R17 PolarHBondContact O-N 3.06Å; L13-R17 VanDerWaalsContact O-N 3.13Å |
| 14 | L | 53.8 | Low | 59.8 | Low | 130 Ų | 130 | 116.9 Ų | 116.9 | 68% | 0.681 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77 | -38.7 | 177.9 | -68.5 | -178.7 | 0 | 0 | 0 | 111.6 | R17 D18 | L14-R17 PolarHBondContact O-N 3.28Å; L14-D18 WeakPolarHBondContact O-CB 3.3Å; L14-D18 PolarHBondContact O-N 2.81Å |
| 15 | V | 54.9 | Low | 62.1 | Low | 97 Ų | 97 | 111 Ų | 111 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.6 | -39.5 | 177 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | E11 S19 | E11-V15 WeakPolarHBondContact O-CG2 3.33Å; V15-S19 VanDerWaalsContact O-CB 3.3Å; V15-S19 WeakPolarHBondContact O-CB 3.45Å; V15-S19 PolarHBondContact O-N 3.03Å; V15-S19 PolarHBondContact O-OG 2.89Å |
| 16 | E | 57 | Low | 64.8 | Low | 134 Ų | 134 | 103.2 Ų | 103.2 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.8 | -40.8 | 172.9 | -94.6 | -158.7 | 137.9 | 0 | 0 | 112.5 | G12 S19 S20 | G12-E16 VanDerWaalsContact O-CB 3.31Å; G12-E16 WeakPolarHBondContact O-CB 3.35Å; G12-E16 PolarHBondContact O-N 3.45Å; E16-S19 PolarHBondContact O-N 3.18Å; E16-S20 VanDerWaalsContact O-CB 3.26Å; E16-S20 WeakPolarHBondContact O-CB 3.29Å; E16-S20 PolarHBondContact O-N 3.4Å; E16-S20 PolarHBondContact O-OG 3.48Å |
| 17 | R | 56.1 | Low | 67.3 | Low | 196 Ų | 196 | 101.4 Ų | 101.4 | 74% | 0.74 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -41.1 | 179.5 | -177.3 | 177.2 | 172.4 | 120.2 | -1.4 | 111.4 | L13 L14 F21 | L13-R17 WeakPolarHBondContact O-CB 3.46Å; L13-R17 PolarHBondContact O-N 3.06Å; L13-R17 VanDerWaalsContact O-N 3.13Å; L14-R17 PolarHBondContact O-N 3.28Å; R17-F21 VanDerWaalsContact O-CB 3.25Å; R17-F21 WeakPolarHBondContact O-CB 3.5Å; R17-F21 PolarHBondContact O-N 2.99Å; R17-F21 VanDerWaalsContact O-N 3.08Å |
| 18 | D | 74 | Confident | 69.4 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.1 | -40.1 | 177.6 | -162.5 | 40.3 | 0 | 0 | 0 | 111.7 | L14 R22 | L14-D18 WeakPolarHBondContact O-CB 3.3Å; L14-D18 PolarHBondContact O-N 2.81Å; D18-R22 WeakPolarHBondContact O-CB 3.49Å; D18-R22 WeakPolarHBondContact O-CD 3.46Å; D18-R22 WeakPolarHBondContact O-CG 3.34Å; D18-R22 PolarHBondContact O-N 3.24Å |
| 19 | S | 80 | Confident | 72.2 | Confident | 48 Ų | 48 | 92 Ų | 92 | 34% | 0.336 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | V15 E16 F21 R22 I23 | V15-S19 VanDerWaalsContact O-CB 3.3Å; V15-S19 WeakPolarHBondContact O-CB 3.45Å; V15-S19 PolarHBondContact O-N 3.03Å; V15-S19 PolarHBondContact O-OG 2.89Å; E16-S19 PolarHBondContact O-N 3.18Å; S19-F21 VanDerWaalsContact C-N 3.33Å; S19-F21 PolarHBondContact O-N 3.21Å; S19-R22 PolarHBondContact O-N 3.05Å; S19-I23 VanDerWaalsContact O-CG1 3.27Å; S19-I23 WeakPolarHBondContact O-CG1 3.34Å; S19-I23 PolarHBondContact O-N 3.25Å |
| 20 | S | 85.3 | Confident | 74.6 | Confident | 71 Ų | 71 | 89 Ų | 89 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 178.4 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | E16 L24 | E16-S20 VanDerWaalsContact O-CB 3.26Å; E16-S20 WeakPolarHBondContact O-CB 3.29Å; E16-S20 PolarHBondContact O-N 3.4Å; E16-S20 PolarHBondContact O-OG 3.48Å; S20-L24 WeakPolarHBondContact O-CB 3.16Å; S20-L24 PolarHBondContact O-N 2.76Å |
| 21 | F | 85.5 | Confident | 76.7 | Confident | 88 Ų | 88 | 90.9 Ų | 90.9 | 39% | 0.386 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175 | -179.8 | -102.7 | 0 | 0 | 0 | 111.6 | R17 S19 I23 L24 T25 T314 | R17-F21 VanDerWaalsContact O-CB 3.25Å; R17-F21 WeakPolarHBondContact O-CB 3.5Å; R17-F21 PolarHBondContact O-N 2.99Å; R17-F21 VanDerWaalsContact O-N 3.08Å; S19-F21 VanDerWaalsContact C-N 3.33Å; S19-F21 PolarHBondContact O-N 3.21Å; F21-I23 PolarHBondContact O-N 3.4Å; F21-L24 PolarHBondContact O-N 3.44Å; F21-T25 WeakPolarHBondContact O-CB 3.46Å; F21-T25 PolarHBondContact O-N 3.32Å; F21-T25 PolarHBondContact O-OG1 3.31Å; F21-T314 HydrophobicContact CE1-CG2 4.46Å; F21-T314 HydrophobicContact CZ-CG2 3.86Å |
| 22 | R | 86.9 | Confident | 78.8 | Confident | 99 Ų | 99 | 83.4 Ų | 83.4 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 177.1 | -71.2 | 167.7 | 74.4 | -167.6 | 5.8 | 112.7 | D18 S19 G26 I85 | D18-R22 WeakPolarHBondContact O-CB 3.49Å; D18-R22 WeakPolarHBondContact O-CD 3.46Å; D18-R22 WeakPolarHBondContact O-CG 3.34Å; D18-R22 PolarHBondContact O-N 3.24Å; S19-R22 PolarHBondContact O-N 3.05Å; R22-G26 PolarHBondContact O-N 2.97Å; R22-I85 PolarHBondContact NE-O 3.04Å; R22-I85 PolarHBondContact NH2-O 3.38Å |
| 23 | I | 89.2 | Confident | 81.2 | Confident | 116 Ų | 116 | 82.7 Ų | 82.7 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 175.3 | -67.3 | 164.9 | 0 | 0 | 0 | 110.5 | S19 F21 G26 C27 | S19-I23 VanDerWaalsContact O-CG1 3.27Å; S19-I23 WeakPolarHBondContact O-CG1 3.34Å; S19-I23 PolarHBondContact O-N 3.25Å; F21-I23 PolarHBondContact O-N 3.4Å; I23-G26 PolarHBondContact O-N 3.49Å; I23-C27 WeakPolarHBondContact O-CB 3.02Å; I23-C27 PolarHBondContact O-N 3.03Å; I23-C27 PolarHBondContact O-SG 3.04Å; I23-C27 VanDerWaalsContact O-SG 3.35Å |
| 24 | L | 90.9 | Very high | 83.4 | Confident | 122 Ų | 122 | 81 Ų | 81 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 179.2 | -176.8 | 64.5 | 0 | 0 | 0 | 111.5 | S20 F21 C27 F28 | S20-L24 WeakPolarHBondContact O-CB 3.16Å; S20-L24 PolarHBondContact O-N 2.76Å; F21-L24 PolarHBondContact O-N 3.44Å; L24-C27 PolarHBondContact O-N 3.19Å; L24-F28 WeakPolarHBondContact O-CB 3.26Å; L24-F28 PolarHBondContact O-N 3.42Å |
| 25 | T | 88.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.5 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | F21 C27 F28 L29 E84 W321 | F21-T25 WeakPolarHBondContact O-CB 3.46Å; F21-T25 PolarHBondContact O-N 3.32Å; F21-T25 PolarHBondContact O-OG1 3.31Å; T25-C27 PolarHBondContact O-N 3.01Å; T25-F28 PolarHBondContact O-N 2.87Å; T25-L29 HydrophobicContact CG2-CD1 3.86Å; T25-L29 HydrophobicContact CG2-CG 4.3Å; T25-L29 WeakPolarHBondContact O-CB 3.47Å; T25-L29 WeakPolarHBondContact O-CG 3.49Å; T25-L29 PolarHBondContact O-N 3.48Å; T25-E84 HydrophobicContact CG2-CG 3.98Å; T25-W321 HydrophobicContact CG2-CH2 3.39Å; T25-W321 HydrophobicContact CG2-CZ2 3.86Å; T25-W321 HydrophobicContact CG2-CZ3 4.02Å |
| 26 | G | 91.7 | Very high | 87.3 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 9% | 0.093 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R22 I23 S30 | R22-G26 PolarHBondContact O-N 2.97Å; I23-G26 PolarHBondContact O-N 3.49Å; G26-S30 VanDerWaalsContact O-CB 3.26Å; G26-S30 WeakPolarHBondContact O-CB 3.18Å; G26-S30 PolarHBondContact O-N 3.42Å; G26-S30 PolarHBondContact O-OG 2.88Å |
| 27 | C | 93.3 | Very high | 89.2 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 48% | 0.48 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 173.9 | -75.8 | 0 | 0 | 0 | 0 | 111.8 | I23 L24 T25 S30 L31 | I23-C27 WeakPolarHBondContact O-CB 3.02Å; I23-C27 PolarHBondContact O-N 3.03Å; I23-C27 PolarHBondContact O-SG 3.04Å; I23-C27 VanDerWaalsContact O-SG 3.35Å; L24-C27 PolarHBondContact O-N 3.19Å; T25-C27 PolarHBondContact O-N 3.01Å; C27-S30 PolarHBondContact O-N 2.89Å; C27-L31 WeakPolarHBondContact O-CG 3.41Å; C27-L31 PolarHBondContact O-N 3.48Å |
| 28 | F | 93.4 | Very high | 91.1 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 43% | 0.434 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 178.3 | 172.3 | -101.8 | 0 | 0 | 0 | 111.7 | L24 T25 S30 L31 L32 W321 | L24-F28 WeakPolarHBondContact O-CB 3.26Å; L24-F28 PolarHBondContact O-N 3.42Å; T25-F28 PolarHBondContact O-N 2.87Å; F28-S30 VanDerWaalsContact C-N 3.33Å; F28-S30 PolarHBondContact O-N 3.43Å; F28-L31 PolarHBondContact O-N 2.69Å; F28-L32 HydrophobicContact CE1-CD1 4.35Å; F28-L32 HydrophobicContact CZ-CD1 4.03Å; F28-L32 WeakPolarHBondContact O-CB 3.38Å; F28-L32 PolarHBondContact O-N 3.43Å; F28-W321 HydrophobicContact CD1-CE3 4.22Å; F28-W321 HydrophobicContact CE1-CB 4.28Å; F28-W321 HydrophobicContact CE1-CE3 4.04Å |
| 29 | L | 92.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 178.7 | -68.5 | 177.2 | 0 | 0 | 0 | 111.7 | T25 L32 I33 A81 E84 W321 W324 | T25-L29 HydrophobicContact CG2-CD1 3.86Å; T25-L29 HydrophobicContact CG2-CG 4.3Å; T25-L29 WeakPolarHBondContact O-CB 3.47Å; T25-L29 WeakPolarHBondContact O-CG 3.49Å; T25-L29 PolarHBondContact O-N 3.48Å; L29-L32 WeakPolarHBondContact O-CB 3.43Å; L29-L32 PolarHBondContact O-N 3.01Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 3.39Å; L29-I33 PolarHBondContact O-N 3.43Å; L29-A81 HydrophobicContact CB-CB 4.14Å; L29-A81 HydrophobicContact CD1-CB 3.81Å; L29-E84 HydrophobicContact CD1-CB 4.44Å; L29-E84 HydrophobicContact CD1-CG 4.48Å; L29-W321 HydrophobicContact CD1-CZ2 4.45Å; L29-W321 HydrophobicContact CD2-CD2 3.89Å; L29-W321 HydrophobicContact CD2-CG 3.86Å; L29-W324 HydrophobicContact CD2-CZ3 4.39Å |
| 30 | S | 94.5 | Very high | 93 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 44% | 0.441 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 112 | G26 C27 F28 L32 I33 L34 | G26-S30 VanDerWaalsContact O-CB 3.26Å; G26-S30 WeakPolarHBondContact O-CB 3.18Å; G26-S30 PolarHBondContact O-N 3.42Å; G26-S30 PolarHBondContact O-OG 2.88Å; C27-S30 PolarHBondContact O-N 2.89Å; F28-S30 VanDerWaalsContact C-N 3.33Å; F28-S30 PolarHBondContact O-N 3.43Å; S30-L32 VanDerWaalsContact C-N 3.32Å; S30-L32 PolarHBondContact O-N 2.95Å; S30-I33 PolarHBondContact O-N 3.34Å; S30-L34 WeakPolarHBondContact O-CB 3.48Å; S30-L34 VanDerWaalsContact O-CG 3.28Å; S30-L34 WeakPolarHBondContact O-CG 3.44Å; S30-L34 PolarHBondContact O-N 3.38Å |
| 31 | L | 95.3 | Very high | 93.5 | Very high | 117 Ų | 117 | 61.3 Ų | 61.3 | 61% | 0.613 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.9 | -38.8 | 175 | -71.9 | 172.1 | 0 | 0 | 0 | 111.8 | C27 F28 S35 | C27-L31 WeakPolarHBondContact O-CG 3.41Å; C27-L31 PolarHBondContact O-N 3.48Å; F28-L31 PolarHBondContact O-N 2.69Å; L31-S35 VanDerWaalsContact O-CB 3.24Å; L31-S35 WeakPolarHBondContact O-CB 3.48Å; L31-S35 PolarHBondContact O-N 3.07Å; L31-S35 PolarHBondContact O-OG 2.86Å |
| 32 | L | 94.7 | Very high | 94 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.2 | -169.1 | 117.1 | 0 | 0 | 0 | 111.4 | F28 L29 S30 S35 T36 M77 W324 A325 | F28-L32 HydrophobicContact CE1-CD1 4.35Å; F28-L32 HydrophobicContact CZ-CD1 4.03Å; F28-L32 WeakPolarHBondContact O-CB 3.38Å; F28-L32 PolarHBondContact O-N 3.43Å; L29-L32 WeakPolarHBondContact O-CB 3.43Å; L29-L32 PolarHBondContact O-N 3.01Å; S30-L32 VanDerWaalsContact C-N 3.32Å; S30-L32 PolarHBondContact O-N 2.95Å; L32-S35 PolarHBondContact O-OG 3.37Å; L32-T36 WeakPolarHBondContact O-CB 3.46Å; L32-T36 PolarHBondContact O-N 3.04Å; L32-T36 PolarHBondContact O-OG1 3.33Å; L32-M77 HydrophobicContact CD2-CE 4.11Å; L32-M77 HydrophobicContact CD2-SD 3.67Å; L32-W324 HydrophobicContact CD2-CB 3.92Å; L32-W324 HydrophobicContact CD2-CE3 4.47Å; L32-A325 HydrophobicContact CD1-CB 3.91Å |
| 33 | I | 96.1 | Very high | 94.4 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.138 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -51.4 | 175.9 | -67.6 | 164.3 | 0 | 0 | 0 | 110.6 | L29 S30 S35 T36 L37 M77 P78 A81 | L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 3.39Å; L29-I33 PolarHBondContact O-N 3.43Å; S30-I33 PolarHBondContact O-N 3.34Å; I33-S35 PolarHBondContact O-N 3.06Å; I33-T36 PolarHBondContact O-N 3.08Å; I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.42Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 3.49Å; I33-M77 HydrophobicContact CD1-CB 3.94Å; I33-M77 HydrophobicContact CG1-CB 3.58Å; I33-M77 HydrophobicContact CG1-CG 4.39Å; I33-M77 HydrophobicContact CG1-SD 3.92Å; I33-P78 HydrophobicContact CD1-CG 4.43Å; I33-A81 HydrophobicContact CD1-CB 4.35Å |
| 34 | L | 96.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 49.4 Ų | 49.4 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | -178 | -71.7 | 174.4 | 0 | 0 | 0 | 112.1 | S30 T36 L37 L38 | S30-L34 WeakPolarHBondContact O-CB 3.48Å; S30-L34 VanDerWaalsContact O-CG 3.28Å; S30-L34 WeakPolarHBondContact O-CG 3.44Å; S30-L34 PolarHBondContact O-N 3.38Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-L37 PolarHBondContact O-N 3.25Å; L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.03Å |
| 35 | S | 95.3 | Very high | 95 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.9 | 61.1 | 0 | 0 | 0 | 0 | 112 | L31 L32 I33 G39 | L31-S35 VanDerWaalsContact O-CB 3.24Å; L31-S35 WeakPolarHBondContact O-CB 3.48Å; L31-S35 PolarHBondContact O-N 3.07Å; L31-S35 PolarHBondContact O-OG 2.86Å; L32-S35 PolarHBondContact O-OG 3.37Å; I33-S35 PolarHBondContact O-N 3.06Å; S35-G39 WeakPolarHBondContact O-CA 3.43Å; S35-G39 PolarHBondContact O-N 3.3Å |
| 36 | T | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 176 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | L32 I33 L34 N40 A73 M77 S328 | L32-T36 WeakPolarHBondContact O-CB 3.46Å; L32-T36 PolarHBondContact O-N 3.04Å; L32-T36 PolarHBondContact O-OG1 3.33Å; I33-T36 PolarHBondContact O-N 3.08Å; L34-T36 VanDerWaalsContact C-N 3.35Å; T36-N40 WeakPolarHBondContact O-CB 3.36Å; T36-N40 PolarHBondContact O-N 3.33Å; T36-N40 VanDerWaalsContact O-N 3.1Å; T36-N40 PolarHBondContact O-ND2 3.17Å; T36-A73 HydrophobicContact CG2-CB 3.76Å; T36-M77 HydrophobicContact CG2-CE 4.17Å; T36-S328 WeakPolarHBondContact OG1-CB 3.25Å |
| 37 | L | 97.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.7 | -58.1 | 177.5 | -71.9 | 173.5 | 0 | 0 | 0 | 111.4 | I33 L34 G39 N40 M41 L70 A73 V74 | I33-L37 HydrophobicContact CG2-CD1 3.92Å; I33-L37 HydrophobicContact CG2-CG 4.42Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 3.25Å; L37-G39 VanDerWaalsContact C-N 3.34Å; L37-G39 PolarHBondContact O-N 2.86Å; L37-N40 PolarHBondContact O-N 3.37Å; L37-M41 VanDerWaalsContact O-CB 3.23Å; L37-M41 WeakPolarHBondContact O-CB 3.45Å; L37-M41 WeakPolarHBondContact O-CG 3.35Å; L37-M41 PolarHBondContact O-N 3.35Å; L37-L70 HydrophobicContact CD2-CD2 4.01Å; L37-A73 HydrophobicContact CD2-CB 3.67Å; L37-A73 HydrophobicContact CG-CB 3.87Å; L37-V74 HydrophobicContact CD2-CG2 3.72Å |
| 38 | L | 96.3 | Very high | 95.4 | Very high | 126 Ų | 126 | 47.1 Ų | 47.1 | 66% | 0.66 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.5 | -43 | -175.5 | -67.6 | 174 | 0 | 0 | 0 | 111.6 | L34 L42 | L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.03Å; L38-L42 VanDerWaalsContact O-CB 3.28Å; L38-L42 WeakPolarHBondContact O-CB 3.17Å; L38-L42 PolarHBondContact O-N 3.36Å |
| 39 | G | 95.9 | Very high | 95.4 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -49.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S35 L37 L42 V43 | S35-G39 WeakPolarHBondContact O-CA 3.43Å; S35-G39 PolarHBondContact O-N 3.3Å; L37-G39 VanDerWaalsContact C-N 3.34Å; L37-G39 PolarHBondContact O-N 2.86Å; G39-L42 WeakPolarHBondContact O-CB 3.45Å; G39-L42 PolarHBondContact O-N 3.44Å; G39-V43 WeakPolarHBondContact O-CG2 3.37Å; G39-V43 PolarHBondContact O-N 3.45Å |
| 40 | N | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.6 | -31.2 | -178.3 | -71.1 | -66.8 | 0 | 0 | 0 | 112.6 | T36 L37 L42 V43 C44 A66 L70 S327 | T36-N40 WeakPolarHBondContact O-CB 3.36Å; T36-N40 PolarHBondContact O-N 3.33Å; T36-N40 VanDerWaalsContact O-N 3.1Å; T36-N40 PolarHBondContact O-ND2 3.17Å; L37-N40 PolarHBondContact O-N 3.37Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-L42 PolarHBondContact O-N 3.45Å; N40-V43 PolarHBondContact O-N 3.4Å; N40-C44 PolarHBondContact O-N 3.18Å; N40-C44 PolarHBondContact O-SG 2.95Å; N40-A66 HydrophobicContact CB-CB 4.18Å; N40-L70 HydrophobicContact CB-CD1 4.39Å; N40-L70 HydrophobicContact CB-CD2 3.84Å; N40-L70 HydrophobicContact CB-CG 3.75Å; N40-S327 PolarHBondContact ND2-O 3.38Å |
| 41 | M | 96.8 | Very high | 95.2 | Very high | 112 Ų | 112 | 58.8 Ų | 58.8 | 55% | 0.552 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 168.4 | -73.2 | -58.5 | -72.4 | 0 | 0 | 111.6 | L37 C44 A45 L70 | L37-M41 VanDerWaalsContact O-CB 3.23Å; L37-M41 WeakPolarHBondContact O-CB 3.45Å; L37-M41 WeakPolarHBondContact O-CG 3.35Å; L37-M41 PolarHBondContact O-N 3.35Å; M41-C44 PolarHBondContact O-N 2.98Å; M41-A45 VanDerWaalsContact O-CB 3.28Å; M41-A45 WeakPolarHBondContact O-CB 3.35Å; M41-A45 PolarHBondContact O-N 3.39Å; M41-L70 HydrophobicContact CG-CD1 4.42Å; M41-L70 HydrophobicContact CG-CD2 3.81Å; M41-L70 HydrophobicContact SD-CD1 3.65Å; M41-L70 HydrophobicContact SD-CD2 3.98Å; M41-L70 HydrophobicContact SD-CG 4.5Å |
| 42 | L | 95.7 | Very high | 94.9 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 175.9 | -175.9 | 67.6 | 0 | 0 | 0 | 111.9 | L38 G39 N40 A45 A46 F344 L347 L348 | L38-L42 VanDerWaalsContact O-CB 3.28Å; L38-L42 WeakPolarHBondContact O-CB 3.17Å; L38-L42 PolarHBondContact O-N 3.36Å; G39-L42 WeakPolarHBondContact O-CB 3.45Å; G39-L42 PolarHBondContact O-N 3.44Å; N40-L42 VanDerWaalsContact C-N 3.32Å; N40-L42 PolarHBondContact O-N 3.45Å; L42-A45 PolarHBondContact O-N 3.39Å; L42-A46 VanDerWaalsContact O-CB 3.29Å; L42-A46 WeakPolarHBondContact O-CB 3.36Å; L42-A46 PolarHBondContact O-N 3.23Å; L42-F344 HydrophobicContact CD1-CD1 4.28Å; L42-F344 HydrophobicContact CD2-CB 4.09Å; L42-F344 HydrophobicContact CD2-CD1 3.79Å; L42-F344 HydrophobicContact CD2-CD2 4.4Å; L42-F344 HydrophobicContact CD2-CE1 4.29Å; L42-F344 HydrophobicContact CD2-CG 3.85Å; L42-F344 HydrophobicContact CG-CD1 3.62Å; L42-F344 HydrophobicContact CG-CE1 3.94Å; L42-F344 HydrophobicContact CG-CG 4.22Å; L42-L347 HydrophobicContact CD1-CB 3.78Å; L42-L347 HydrophobicContact CD1-CD1 3.8Å; L42-L347 HydrophobicContact CD1-CG 4.45Å; L42-L348 HydrophobicContact CD1-CG 4.4Å; L42-L348 HydrophobicContact CD2-CD1 4.02Å; L42-L348 HydrophobicContact CD2-CG 4.29Å |
| 43 | V | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -51.2 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | G39 N40 A45 A46 V47 V62 A66 P331 Y334 F340 F344 | G39-V43 WeakPolarHBondContact O-CG2 3.37Å; G39-V43 PolarHBondContact O-N 3.45Å; N40-V43 PolarHBondContact O-N 3.4Å; V43-A45 PolarHBondContact O-N 3.11Å; V43-A46 PolarHBondContact O-N 3.36Å; V43-V47 PolarHBondContact O-N 2.99Å; V43-V47 VanDerWaalsContact O-N 3.14Å; V43-V62 HydrophobicContact CG1-CG1 3.63Å; V43-A66 HydrophobicContact CB-CB 4.26Å; V43-A66 HydrophobicContact CG1-CB 3.95Å; V43-P331 HydrophobicContact CG2-CB 3.96Å; V43-P331 HydrophobicContact CG2-CG 4.07Å; V43-Y334 HydrophobicContact CG1-CD2 4.2Å; V43-Y334 HydrophobicContact CG1-CE2 4.34Å; V43-Y334 HydrophobicContact CG2-CD2 3.82Å; V43-Y334 HydrophobicContact CG2-CE2 4.44Å; V43-F340 HydrophobicContact CG1-CE1 4.48Å; V43-F344 HydrophobicContact CG2-CE1 4.41Å; V43-F344 HydrophobicContact CG2-CZ 3.9Å |
| 44 | C | 96.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 10% | 0.101 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.1 | -49.5 | 176.6 | -73.2 | 0 | 0 | 0 | 0 | 111.5 | N40 M41 A46 V47 I48 | N40-C44 PolarHBondContact O-N 3.18Å; N40-C44 PolarHBondContact O-SG 2.95Å; M41-C44 PolarHBondContact O-N 2.98Å; C44-A46 VanDerWaalsContact C-N 3.33Å; C44-A46 PolarHBondContact O-N 3.49Å; C44-V47 PolarHBondContact O-N 3.2Å; C44-I48 WeakPolarHBondContact O-CB 3.42Å; C44-I48 WeakPolarHBondContact O-CD1 3.35Å; C44-I48 VanDerWaalsContact O-CG1 3.23Å; C44-I48 WeakPolarHBondContact O-CG1 3.33Å; C44-I48 PolarHBondContact O-N 3.32Å |
| 45 | A | 95.4 | Very high | 94.1 | Very high | 40 Ų | 40 | 62.3 Ų | 62.3 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M41 L42 V43 I48 R49 L347 | M41-A45 VanDerWaalsContact O-CB 3.28Å; M41-A45 WeakPolarHBondContact O-CB 3.35Å; M41-A45 PolarHBondContact O-N 3.39Å; L42-A45 PolarHBondContact O-N 3.39Å; V43-A45 PolarHBondContact O-N 3.11Å; A45-I48 PolarHBondContact O-N 3.34Å; A45-R49 WeakPolarHBondContact O-CB 3.24Å; A45-R49 PolarHBondContact O-N 3.05Å; A45-L347 HydrophobicContact CB-CD1 4.19Å |
| 46 | A | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L42 V43 C44 I48 F50 L53 A343 F344 L347 | L42-A46 VanDerWaalsContact O-CB 3.29Å; L42-A46 WeakPolarHBondContact O-CB 3.36Å; L42-A46 PolarHBondContact O-N 3.23Å; V43-A46 PolarHBondContact O-N 3.36Å; C44-A46 VanDerWaalsContact C-N 3.33Å; C44-A46 PolarHBondContact O-N 3.49Å; A46-I48 PolarHBondContact O-N 3.39Å; A46-F50 WeakPolarHBondContact O-CB 3.3Å; A46-F50 VanDerWaalsContact O-CD2 3.25Å; A46-F50 WeakPolarHBondContact O-CD2 3.49Å; A46-F50 PolarHBondContact O-N 3.5Å; A46-F50 VanDerWaalsContact O-N 3.15Å; A46-L53 HydrophobicContact CB-CD1 4.29Å; A46-A343 HydrophobicContact CB-CB 3.92Å; A46-F344 HydrophobicContact CB-CD1 3.94Å; A46-F344 HydrophobicContact CB-CE1 3.68Å; A46-L347 HydrophobicContact CB-CD1 3.96Å |
| 47 | V | 94.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.5 | -38 | -178.5 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | V43 C44 R54 N59 I63 F340 | V43-V47 PolarHBondContact O-N 2.99Å; V43-V47 VanDerWaalsContact O-N 3.14Å; C44-V47 PolarHBondContact O-N 3.2Å; V47-R54 WeakPolarHBondContact O-CB 3.5Å; V47-N59 HydrophobicContact CG1-CB 3.84Å; V47-N59 HydrophobicContact CG2-CB 4.3Å; V47-I63 HydrophobicContact CB-CD1 3.79Å; V47-I63 HydrophobicContact CB-CG1 3.92Å; V47-I63 HydrophobicContact CG1-CD1 3.43Å; V47-I63 VanDerWaalsContact CG1-CD1 3.43Å; V47-I63 HydrophobicContact CG1-CG1 3.98Å; V47-I63 HydrophobicContact CG2-CG1 4.22Å; V47-F340 HydrophobicContact CG2-CE1 3.66Å; V47-F340 HydrophobicContact CG2-CZ 3.82Å |
| 48 | I | 93.5 | Very high | 93.1 | Very high | 122 Ų | 122 | 64.4 Ų | 64.4 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.3 | -43.4 | 179.1 | -66.5 | 167.1 | 0 | 0 | 0 | 111.3 | C44 A45 A46 | C44-I48 WeakPolarHBondContact O-CB 3.42Å; C44-I48 WeakPolarHBondContact O-CD1 3.35Å; C44-I48 VanDerWaalsContact O-CG1 3.23Å; C44-I48 WeakPolarHBondContact O-CG1 3.33Å; C44-I48 PolarHBondContact O-N 3.32Å; A45-I48 PolarHBondContact O-N 3.34Å; A46-I48 PolarHBondContact O-N 3.39Å |
| 49 | R | 92.4 | Very high | 92.9 | Very high | 176 Ų | 176 | 58.9 Ų | 58.9 | 66% | 0.664 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -77 | -32.9 | -172.6 | -175.2 | 62.1 | -179 | 82.6 | -2.5 | 113.6 | A45 L347 | A45-R49 WeakPolarHBondContact O-CB 3.24Å; A45-R49 PolarHBondContact O-N 3.05Å; R49-L347 HydrophobicContact CG-CD2 4.41Å |
| 50 | F | 93.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 61.8 Ų | 61.8 | 17% | 0.171 | 29% | 0.293 | C | S | . | . | trans | -103.1 | 110.3 | -173.6 | -67.8 | -76.7 | 0 | 0 | 0 | 112 | A46 H52 L53 R54 A343 T346 L347 | A46-F50 WeakPolarHBondContact O-CB 3.3Å; A46-F50 VanDerWaalsContact O-CD2 3.25Å; A46-F50 WeakPolarHBondContact O-CD2 3.49Å; A46-F50 PolarHBondContact O-N 3.5Å; A46-F50 VanDerWaalsContact O-N 3.15Å; F50-H52 VanDerWaalsContact C-N 3.26Å; F50-H52 AromaticContact CG-CE1 3.98Å; F50-H52 PolarHBondContact O-N 2.79Å; F50-H52 VanDerWaalsContact O-N 3.17Å; F50-L53 HydrophobicContact CB-CB 4.35Å; F50-L53 HydrophobicContact CB-CD1 4.15Å; F50-L53 HydrophobicContact CB-CG 4.25Å; F50-L53 PolarHBondContact O-N 3.2Å; F50-R54 PolarHBondContact O-N 2.96Å; F50-A343 HydrophobicContact CD2-CB 3.44Å; F50-A343 VanDerWaalsContact CD2-CB 3.44Å; F50-A343 HydrophobicContact CE2-CB 3.44Å; F50-A343 VanDerWaalsContact CE2-CB 3.44Å; F50-A343 HydrophobicContact CG-CB 4.24Å; F50-A343 HydrophobicContact CZ-CB 4.23Å; F50-T346 HydrophobicContact CE1-CG2 4.33Å; F50-T346 HydrophobicContact CZ-CG2 3.84Å; F50-L347 HydrophobicContact CE2-CD1 4.13Å; F50-L347 HydrophobicContact CE2-CD2 4.43Å; F50-L347 HydrophobicContact CE2-CG 4Å | ||
| 51 | R | 89.8 | Confident | 92.6 | Very high | 197 Ų | 197 | 61.8 Ų | 61.8 | 74% | 0.743 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -54.5 | -37.7 | -178.8 | -174.6 | 177.6 | 175.1 | 121.9 | -1 | 113.6 | L53 R54 S55 | R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L53 PolarHBondContact O-N 3.21Å; R51-R54 PolarHBondContact O-N 3.31Å; R51-S55 WeakPolarHBondContact O-CB 3.25Å; R51-S55 PolarHBondContact O-N 3.09Å |
| 52 | H | 89.3 | Confident | 92.5 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.1 | -32.9 | 179.8 | 73.8 | -85.3 | 0 | 0 | 0 | 112.9 | F50 | F50-H52 VanDerWaalsContact C-N 3.26Å; F50-H52 AromaticContact CG-CE1 3.98Å; F50-H52 PolarHBondContact O-N 2.79Å; F50-H52 VanDerWaalsContact O-N 3.17Å |
| 53 | L | 90.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -74.1 | -46.9 | 172.4 | -69.3 | 177.9 | 0 | 0 | 0 | 110.3 | A46 F50 R51 S55 K56 N59 D339 F340 A343 | A46-L53 HydrophobicContact CB-CD1 4.29Å; F50-L53 HydrophobicContact CB-CB 4.35Å; F50-L53 HydrophobicContact CB-CD1 4.15Å; F50-L53 HydrophobicContact CB-CG 4.25Å; F50-L53 PolarHBondContact O-N 3.2Å; R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L53 PolarHBondContact O-N 3.21Å; L53-S55 PolarHBondContact O-N 3.16Å; L53-K56 PolarHBondContact O-N 2.99Å; L53-K56 VanDerWaalsContact O-N 3.1Å; L53-N59 PolarHBondContact O-ND2 3.31Å; L53-D339 HydrophobicContact CD2-CB 3.72Å; L53-F340 HydrophobicContact CD1-CD1 4.36Å; L53-F340 HydrophobicContact CD1-CE1 4.39Å; L53-F340 HydrophobicContact CD2-CD2 4.33Å; L53-F340 HydrophobicContact CD2-CE2 4.23Å; L53-A343 HydrophobicContact CD1-CB 3.82Å |
| 54 | R | 91.9 | Very high | 92.5 | Very high | 134 Ų | 134 | 57.6 Ų | 57.6 | 51% | 0.506 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59 | -31.2 | 179.5 | -166.5 | -179.1 | 65 | 149.5 | 1 | 113.6 | V47 F50 R51 K56 | V47-R54 WeakPolarHBondContact O-CB 3.5Å; F50-R54 PolarHBondContact O-N 2.96Å; R51-R54 PolarHBondContact O-N 3.31Å; R54-K56 PolarHBondContact O-N 3.28Å |
| 55 | S | 88.1 | Confident | 92.4 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 69% | 0.692 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.6 | -179.8 | -165.9 | 0 | 0 | 0 | 0 | 113.6 | R51 L53 | R51-S55 WeakPolarHBondContact O-CB 3.25Å; R51-S55 PolarHBondContact O-N 3.09Å; L53-S55 PolarHBondContact O-N 3.16Å |
| 56 | K | 89.7 | Confident | 92.4 | Very high | 91 Ų | 91 | 55 Ų | 55 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | trans | -88.9 | 116.8 | 178.5 | -63.1 | -178.2 | 179.9 | -179.2 | 0 | 109.4 | L53 R54 T58 N59 D339 | L53-K56 PolarHBondContact O-N 2.99Å; L53-K56 VanDerWaalsContact O-N 3.1Å; R54-K56 PolarHBondContact O-N 3.28Å; K56-T58 PolarHBondContact O-N 3.12Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-N59 WeakPolarHBondContact O-CB 3.44Å; K56-N59 PolarHBondContact O-N 3.1Å; K56-D339 IonicContact NZ-OD2 2.7Å; K56-D339 PolarHBondContact NZ-OD2 3.48Å | ||
| 57 | V | 89.3 | Confident | 92.5 | Very high | 28 Ų | 28 | 57.8 Ų | 57.8 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.2 | -179.4 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | N59 F60 M134 P136 A139 | V57-N59 PolarHBondContact O-N 3.49Å; V57-N59 VanDerWaalsContact O-N 3.16Å; V57-F60 HydrophobicContact CG1-CD2 4.37Å; V57-F60 WeakPolarHBondContact O-CB 3.25Å; V57-F60 WeakPolarHBondContact O-CD2 3.49Å; V57-F60 PolarHBondContact O-N 2.99Å; V57-F60 VanDerWaalsContact O-N 3.09Å; V57-M134 HydrophobicContact CG1-CG 3.97Å; V57-M134 HydrophobicContact CG1-SD 4.39Å; V57-P136 HydrophobicContact CG2-CG 4.25Å; V57-A139 HydrophobicContact CG1-CB 3.6Å |
| 58 | T | 88.3 | Confident | 92.5 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.9 | -31.1 | 177.7 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | K56 F60 F61 Y130 | K56-T58 PolarHBondContact O-N 3.12Å; K56-T58 VanDerWaalsContact O-N 3.12Å; T58-F60 PolarHBondContact O-N 3.45Å; T58-F61 PolarHBondContact O-N 3Å; T58-Y130 WeakPolarHBondContact CG2-OH 3.42Å |
| 59 | N | 92.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.053 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76.9 | -13 | -176.2 | -67.4 | -14 | 0 | 0 | 0 | 112.1 | V47 L53 K56 V57 V62 I63 | V47-N59 HydrophobicContact CG1-CB 3.84Å; V47-N59 HydrophobicContact CG2-CB 4.3Å; L53-N59 PolarHBondContact O-ND2 3.31Å; K56-N59 WeakPolarHBondContact O-CB 3.44Å; K56-N59 PolarHBondContact O-N 3.1Å; V57-N59 PolarHBondContact O-N 3.49Å; V57-N59 VanDerWaalsContact O-N 3.16Å; N59-V62 PolarHBondContact O-N 2.94Å; N59-I63 WeakPolarHBondContact O-CG1 3.29Å; N59-I63 PolarHBondContact O-N 3.46Å |
| 60 | F | 93.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 33% | 0.333 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.1 | -36.9 | 168.5 | -68.9 | -62.5 | 0 | 0 | 0 | 112 | V57 T58 V62 I63 S64 P136 I143 | V57-F60 HydrophobicContact CG1-CD2 4.37Å; V57-F60 WeakPolarHBondContact O-CB 3.25Å; V57-F60 WeakPolarHBondContact O-CD2 3.49Å; V57-F60 PolarHBondContact O-N 2.99Å; V57-F60 VanDerWaalsContact O-N 3.09Å; T58-F60 PolarHBondContact O-N 3.45Å; F60-V62 VanDerWaalsContact C-N 3.32Å; F60-I63 PolarHBondContact O-N 2.99Å; F60-S64 PolarHBondContact O-N 3.08Å; F60-P136 HydrophobicContact CE2-CB 4.49Å; F60-I143 HydrophobicContact CB-CD1 4.16Å |
| 61 | F | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 173.8 | -56.2 | -61.9 | 0 | 0 | 0 | 111.7 | T58 S64 L65 V115 I116 D119 M134 A139 L142 I143 | T58-F61 PolarHBondContact O-N 3Å; F61-S64 PolarHBondContact O-N 3.3Å; F61-L65 WeakPolarHBondContact O-CB 3.49Å; F61-L65 PolarHBondContact O-N 2.75Å; F61-V115 HydrophobicContact CD1-CG1 3.52Å; F61-V115 HydrophobicContact CE1-CG1 3.43Å; F61-V115 VanDerWaalsContact CE1-CG1 3.43Å; F61-V115 HydrophobicContact CG-CG1 4.26Å; F61-V115 HydrophobicContact CZ-CG1 4.11Å; F61-I116 HydrophobicContact CB-CD1 4.25Å; F61-I116 HydrophobicContact CB-CG1 3.59Å; F61-I116 HydrophobicContact CG-CG1 4.46Å; F61-D119 HydrophobicContact CD2-CB 4.4Å; F61-D119 HydrophobicContact CE2-CB 4.06Å; F61-M134 HydrophobicContact CE2-CE 3.81Å; F61-M134 HydrophobicContact CZ-CE 3.75Å; F61-M134 HydrophobicContact CZ-SD 4.42Å; F61-A139 HydrophobicContact CE1-CB 4.04Å; F61-A139 HydrophobicContact CE2-CB 4.28Å; F61-A139 HydrophobicContact CZ-CB 3.65Å; F61-L142 HydrophobicContact CE1-CB 4Å; F61-L142 HydrophobicContact CE1-CD1 4.27Å; F61-L142 HydrophobicContact CZ-CD1 4.01Å; F61-I143 HydrophobicContact CD1-CD1 3.98Å; F61-I143 HydrophobicContact CD1-CG1 3.7Å; F61-I143 HydrophobicContact CE1-CD1 4.3Å; F61-I143 HydrophobicContact CE1-CG1 3.96Å |
| 62 | V | 93.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | V43 N59 F60 L65 A66 Y334 F340 | V43-V62 HydrophobicContact CG1-CG1 3.63Å; N59-V62 PolarHBondContact O-N 2.94Å; F60-V62 VanDerWaalsContact C-N 3.32Å; V62-L65 PolarHBondContact O-N 2.91Å; V62-A66 WeakPolarHBondContact O-CB 3.39Å; V62-A66 PolarHBondContact O-N 3.1Å; V62-Y334 HydrophobicContact CG1-CD2 4.11Å; V62-Y334 HydrophobicContact CG1-CE1 4.22Å; V62-Y334 HydrophobicContact CG1-CE2 3.65Å; V62-Y334 HydrophobicContact CG2-CE1 4.23Å; V62-F340 HydrophobicContact CG1-CE1 4.47Å; V62-F340 HydrophobicContact CG1-CZ 4.1Å |
| 63 | I | 95.4 | Very high | 93.5 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 20% | 0.2 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 172.7 | -70.5 | 167 | 0 | 0 | 0 | 110.6 | V47 N59 F60 L65 A66 V67 | V47-I63 HydrophobicContact CB-CD1 3.79Å; V47-I63 HydrophobicContact CB-CG1 3.92Å; V47-I63 HydrophobicContact CG1-CD1 3.43Å; V47-I63 VanDerWaalsContact CG1-CD1 3.43Å; V47-I63 HydrophobicContact CG1-CG1 3.98Å; V47-I63 HydrophobicContact CG2-CG1 4.22Å; N59-I63 WeakPolarHBondContact O-CG1 3.29Å; N59-I63 PolarHBondContact O-N 3.46Å; F60-I63 PolarHBondContact O-N 2.99Å; I63-L65 VanDerWaalsContact C-N 3.28Å; I63-L65 PolarHBondContact O-N 3.03Å; I63-A66 PolarHBondContact O-N 3.33Å; I63-A66 VanDerWaalsContact O-N 3.14Å; I63-V67 HydrophobicContact CG2-CG2 4.21Å; I63-V67 WeakPolarHBondContact O-CG2 3.29Å; I63-V67 PolarHBondContact O-N 3.27Å |
| 64 | S | 96.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | -179.9 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | F60 F61 V67 S68 N112 I143 W147 | F60-S64 PolarHBondContact O-N 3.08Å; F61-S64 PolarHBondContact O-N 3.3Å; S64-V67 PolarHBondContact O-N 2.86Å; S64-S68 PolarHBondContact O-N 3.34Å; S64-N112 VanDerWaalsContact CB-OD1 3.28Å; S64-N112 WeakPolarHBondContact CB-OD1 3.5Å; S64-N112 PolarHBondContact OG-ND2 3.48Å; S64-N112 PolarHBondContact OG-OD1 2.56Å; S64-I143 WeakPolarHBondContact OG-CG2 3.31Å; S64-W147 PolarHBondContact OG-NE1 2.74Å |
| 65 | L | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 174.2 | 180 | 56.9 | 0 | 0 | 0 | 112.6 | F61 V62 I63 V67 S68 D69 S109 N112 L113 I116 Y334 | F61-L65 WeakPolarHBondContact O-CB 3.49Å; F61-L65 PolarHBondContact O-N 2.75Å; V62-L65 PolarHBondContact O-N 2.91Å; I63-L65 VanDerWaalsContact C-N 3.28Å; I63-L65 PolarHBondContact O-N 3.03Å; L65-V67 VanDerWaalsContact C-N 3.26Å; L65-V67 PolarHBondContact O-N 2.88Å; L65-S68 PolarHBondContact O-N 3.39Å; L65-S68 PolarHBondContact O-OG 2.96Å; L65-D69 WeakPolarHBondContact O-CB 3.34Å; L65-D69 PolarHBondContact O-N 3.25Å; L65-S109 WeakPolarHBondContact CD1-O 3.29Å; L65-N112 HydrophobicContact CB-CB 4.09Å; L65-N112 HydrophobicContact CD1-CB 4.14Å; L65-L113 HydrophobicContact CD1-CG 4.17Å; L65-L113 HydrophobicContact CD2-CD2 3.48Å; L65-L113 VanDerWaalsContact CD2-CD2 3.48Å; L65-L113 HydrophobicContact CD2-CG 3.86Å; L65-I116 HydrophobicContact CB-CD1 4.42Å; L65-I116 HydrophobicContact CD2-CD1 3.76Å; L65-Y334 VanDerWaalsContact CD2-OH 3.27Å; L65-Y334 WeakPolarHBondContact CD2-OH 3.36Å |
| 66 | A | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N40 V43 V62 I63 L70 | N40-A66 HydrophobicContact CB-CB 4.18Å; V43-A66 HydrophobicContact CB-CB 4.26Å; V43-A66 HydrophobicContact CG1-CB 3.95Å; V62-A66 WeakPolarHBondContact O-CB 3.39Å; V62-A66 PolarHBondContact O-N 3.1Å; I63-A66 PolarHBondContact O-N 3.33Å; I63-A66 VanDerWaalsContact O-N 3.14Å; A66-L70 WeakPolarHBondContact O-CB 3.3Å; A66-L70 WeakPolarHBondContact O-CG 3.46Å; A66-L70 PolarHBondContact O-N 3.22Å |
| 67 | V | 96.9 | Very high | 94 | Very high | 58 Ų | 58 | 22.4 Ų | 22.4 | 35% | 0.352 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -66.3 | -45 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | I63 S64 L65 D69 L70 L71 W147 | I63-V67 HydrophobicContact CG2-CG2 4.21Å; I63-V67 WeakPolarHBondContact O-CG2 3.29Å; I63-V67 PolarHBondContact O-N 3.27Å; S64-V67 PolarHBondContact O-N 2.86Å; L65-V67 VanDerWaalsContact C-N 3.26Å; L65-V67 PolarHBondContact O-N 2.88Å; V67-D69 VanDerWaalsContact C-N 3.33Å; V67-D69 PolarHBondContact O-N 3.49Å; V67-L70 PolarHBondContact O-N 3.47Å; V67-L71 WeakPolarHBondContact O-CG 3.39Å; V67-L71 PolarHBondContact O-N 3.25Å; V67-W147 HydrophobicContact CG1-CH2 4.14Å; V67-W147 HydrophobicContact CG1-CZ2 4.14Å |
| 68 | S | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 176.9 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | S64 L65 L70 L71 V72 S109 | S64-S68 PolarHBondContact O-N 3.34Å; L65-S68 PolarHBondContact O-N 3.39Å; L65-S68 PolarHBondContact O-OG 2.96Å; S68-L70 PolarHBondContact O-N 3.3Å; S68-L71 WeakPolarHBondContact O-CB 3.37Å; S68-L71 PolarHBondContact O-N 2.95Å; S68-L71 VanDerWaalsContact O-N 3.16Å; S68-V72 WeakPolarHBondContact O-CG2 3.38Å; S68-V72 PolarHBondContact O-N 3.27Å; S68-S109 WeakPolarHBondContact CB-OG 3.27Å; S68-S109 WeakPolarHBondContact OG-CA 3.32Å; S68-S109 PolarHBondContact OG-OG 3.02Å |
| 69 | D | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | 176.2 | -71.2 | -22.5 | 0 | 0 | 0 | 112.9 | L65 V67 L71 V72 A73 S109 S327 N330 | L65-D69 WeakPolarHBondContact O-CB 3.34Å; L65-D69 PolarHBondContact O-N 3.25Å; V67-D69 VanDerWaalsContact C-N 3.33Å; V67-D69 PolarHBondContact O-N 3.49Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-V72 PolarHBondContact O-N 3.22Å; D69-A73 PolarHBondContact O-N 2.99Å; D69-A73 VanDerWaalsContact O-N 3.09Å; D69-S109 PolarHBondContact OD1-OG 3.05Å; D69-S327 VanDerWaalsContact CG-CB 3.49Å; D69-S327 VanDerWaalsContact OD1-CB 3.31Å; D69-S327 WeakPolarHBondContact OD1-CB 3.33Å; D69-S327 PolarHBondContact OD1-OG 3.35Å; D69-N330 PolarHBondContact OD2-ND2 2.8Å |
| 70 | L | 97 | Very high | 94 | Very high | 24 Ų | 24 | 26.5 Ų | 26.5 | 13% | 0.126 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 170.9 | -73.7 | 168.9 | 0 | 0 | 0 | 111.7 | L37 N40 M41 A66 V67 S68 A73 V74 | L37-L70 HydrophobicContact CD2-CD2 4.01Å; N40-L70 HydrophobicContact CB-CD1 4.39Å; N40-L70 HydrophobicContact CB-CD2 3.84Å; N40-L70 HydrophobicContact CB-CG 3.75Å; M41-L70 HydrophobicContact CG-CD1 4.42Å; M41-L70 HydrophobicContact CG-CD2 3.81Å; M41-L70 HydrophobicContact SD-CD1 3.65Å; M41-L70 HydrophobicContact SD-CD2 3.98Å; M41-L70 HydrophobicContact SD-CG 4.5Å; A66-L70 WeakPolarHBondContact O-CB 3.3Å; A66-L70 WeakPolarHBondContact O-CG 3.46Å; A66-L70 PolarHBondContact O-N 3.22Å; V67-L70 PolarHBondContact O-N 3.47Å; S68-L70 PolarHBondContact O-N 3.3Å; L70-A73 PolarHBondContact O-N 3.18Å; L70-V74 WeakPolarHBondContact O-CG2 3.17Å; L70-V74 PolarHBondContact O-N 2.79Å |
| 71 | L | 96.2 | Very high | 93.9 | Very high | 51 Ų | 51 | 23.3 Ų | 23.3 | 27% | 0.267 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 175 | -66.1 | 179.4 | 0 | 0 | 0 | 111.7 | V67 S68 D69 A73 V74 L75 W147 | V67-L71 WeakPolarHBondContact O-CG 3.39Å; V67-L71 PolarHBondContact O-N 3.25Å; S68-L71 WeakPolarHBondContact O-CB 3.37Å; S68-L71 PolarHBondContact O-N 2.95Å; S68-L71 VanDerWaalsContact O-N 3.16Å; D69-L71 VanDerWaalsContact C-N 3.33Å; L71-A73 VanDerWaalsContact C-N 3.32Å; L71-A73 PolarHBondContact O-N 2.88Å; L71-V74 PolarHBondContact O-N 3.37Å; L71-L75 HydrophobicContact CB-CD1 4.39Å; L71-L75 HydrophobicContact CD2-CD1 3.99Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.33Å; L71-L75 PolarHBondContact O-N 2.83Å; L71-W147 HydrophobicContact CD1-CH2 3.65Å; L71-W147 HydrophobicContact CD1-CZ3 3.73Å |
| 72 | V | 94.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -58.1 | -47.5 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | S68 D69 V74 V76 M77 C105 | S68-V72 WeakPolarHBondContact O-CG2 3.38Å; S68-V72 PolarHBondContact O-N 3.27Å; D69-V72 PolarHBondContact O-N 3.22Å; V72-V74 VanDerWaalsContact C-N 3.32Å; V72-V74 PolarHBondContact O-N 3.38Å; V72-V76 HydrophobicContact CG1-CB 4.2Å; V72-V76 WeakPolarHBondContact O-CA 3.33Å; V72-V76 VanDerWaalsContact O-CB 3.28Å; V72-V76 WeakPolarHBondContact O-CB 3.41Å; V72-V76 PolarHBondContact O-N 3.47Å; V72-M77 HydrophobicContact CB-CE 4.21Å; V72-M77 HydrophobicContact CG1-CE 3.44Å; V72-M77 VanDerWaalsContact CG1-CE 3.44Å; V72-M77 HydrophobicContact CG1-CG 4.06Å; V72-M77 PolarHBondContact O-N 2.87Å; V72-C105 HydrophobicContact CB-CB 4.49Å; V72-C105 HydrophobicContact CG2-CB 3.52Å |
| 73 | A | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -67.7 | -27.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T36 L37 D69 L70 L71 M77 P78 | T36-A73 HydrophobicContact CG2-CB 3.76Å; L37-A73 HydrophobicContact CD2-CB 3.67Å; L37-A73 HydrophobicContact CG-CB 3.87Å; D69-A73 PolarHBondContact O-N 2.99Å; D69-A73 VanDerWaalsContact O-N 3.09Å; L70-A73 PolarHBondContact O-N 3.18Å; L71-A73 VanDerWaalsContact C-N 3.32Å; L71-A73 PolarHBondContact O-N 2.88Å; A73-M77 HydrophobicContact CB-SD 4.36Å; A73-P78 VanDerWaalsContact O-CD 3.22Å; A73-P78 WeakPolarHBondContact O-CD 3.32Å; A73-P78 VanDerWaalsContact O-CG 3.27Å; A73-P78 WeakPolarHBondContact O-CG 3.39Å |
| 74 | V | 95.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 26.4 Ų | 26.4 | 49% | 0.485 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -95 | -44.5 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | L37 L70 L71 V72 | L37-V74 HydrophobicContact CD2-CG2 3.72Å; L70-V74 WeakPolarHBondContact O-CG2 3.17Å; L70-V74 PolarHBondContact O-N 2.79Å; L71-V74 PolarHBondContact O-N 3.37Å; V72-V74 VanDerWaalsContact C-N 3.32Å; V72-V74 PolarHBondContact O-N 3.38Å |
| 75 | L | 92.3 | Very high | 92.3 | Very high | 50 Ų | 50 | 29 Ų | 29 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | I | π-helix | trans | -96.8 | -18.4 | -170 | -58.7 | -179.3 | 0 | 0 | 0 | 113.8 | L71 W79 F101 | L71-L75 HydrophobicContact CB-CD1 4.39Å; L71-L75 HydrophobicContact CD2-CD1 3.99Å; L71-L75 VanDerWaalsContact O-CB 3.28Å; L71-L75 WeakPolarHBondContact O-CB 3.33Å; L71-L75 PolarHBondContact O-N 2.83Å; L75-W79 PolarHBondContact O-NE1 2.95Å; L75-F101 HydrophobicContact CB-CB 4.49Å; L75-F101 HydrophobicContact CD1-CD1 3.94Å; L75-F101 HydrophobicContact CD1-CE1 4.13Å; L75-F101 HydrophobicContact CD1-CG 4.41Å |
| 76 | V | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -114.8 | -63.2 | -172.3 | -177.6 | 0 | 0 | 0 | 0 | 111 | V72 W79 K80 W98 D102 C105 W324 | V72-V76 HydrophobicContact CG1-CB 4.2Å; V72-V76 WeakPolarHBondContact O-CA 3.33Å; V72-V76 VanDerWaalsContact O-CB 3.28Å; V72-V76 WeakPolarHBondContact O-CB 3.41Å; V72-V76 PolarHBondContact O-N 3.47Å; V76-W79 PolarHBondContact O-N 2.98Å; V76-K80 PolarHBondContact O-N 3.21Å; V76-W98 HydrophobicContact CG1-CZ2 3.94Å; V76-W98 PolarHBondContact O-NE1 3.39Å; V76-D102 HydrophobicContact CG1-CB 3.77Å; V76-D102 WeakPolarHBondContact CG1-OD1 3.47Å; V76-D102 HydrophobicContact CG2-CB 4.18Å; V76-C105 HydrophobicContact CG2-CB 4.41Å; V76-W324 HydrophobicContact CG1-CZ2 3.97Å |
| 77 | M | 91.8 | Very high | 91 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | -169.2 | -60.6 | -178.7 | -168.8 | 0 | 0 | 114.4 | L32 I33 T36 V72 A73 W79 A81 W324 | L32-M77 HydrophobicContact CD2-CE 4.11Å; L32-M77 HydrophobicContact CD2-SD 3.67Å; I33-M77 HydrophobicContact CD1-CB 3.94Å; I33-M77 HydrophobicContact CG1-CB 3.58Å; I33-M77 HydrophobicContact CG1-CG 4.39Å; I33-M77 HydrophobicContact CG1-SD 3.92Å; T36-M77 HydrophobicContact CG2-CE 4.17Å; V72-M77 HydrophobicContact CB-CE 4.21Å; V72-M77 HydrophobicContact CG1-CE 3.44Å; V72-M77 VanDerWaalsContact CG1-CE 3.44Å; V72-M77 HydrophobicContact CG1-CG 4.06Å; V72-M77 PolarHBondContact O-N 2.87Å; A73-M77 HydrophobicContact CB-SD 4.36Å; M77-W79 PolarHBondContact O-N 3.45Å; M77-A81 WeakPolarHBondContact O-CB 3.45Å; M77-A81 PolarHBondContact O-N 3.47Å; M77-W324 HydrophobicContact CE-CB 3.68Å; M77-W324 HydrophobicContact CE-CG 4.09Å; M77-W324 HydrophobicContact CG-CD2 4.06Å; M77-W324 HydrophobicContact CG-CE3 4.13Å; M77-W324 HydrophobicContact CG-CG 4.31Å |
| 78 | P | 93.2 | Very high | 90.1 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.5 | -40.2 | -174.4 | -23.6 | 35.9 | 0 | 0 | 0 | 112.9 | I33 A73 A81 V82 | I33-P78 HydrophobicContact CD1-CG 4.43Å; A73-P78 VanDerWaalsContact O-CD 3.22Å; A73-P78 WeakPolarHBondContact O-CD 3.32Å; A73-P78 VanDerWaalsContact O-CG 3.27Å; A73-P78 WeakPolarHBondContact O-CG 3.39Å; P78-A81 PolarHBondContact O-N 2.9Å; P78-V82 WeakPolarHBondContact O-CG2 3.49Å; P78-V82 PolarHBondContact O-N 3.29Å |
| 79 | W | 90.3 | Very high | 89.4 | Confident | 89 Ų | 89 | 35.8 Ų | 35.8 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68 | -46.7 | -177.6 | -51.8 | 98.5 | 0 | 0 | 0 | 111.5 | L75 V76 M77 V82 A83 W89 F91 F94 W98 | L75-W79 PolarHBondContact O-NE1 2.95Å; V76-W79 PolarHBondContact O-N 2.98Å; M77-W79 PolarHBondContact O-N 3.45Å; W79-V82 PolarHBondContact O-N 2.75Å; W79-A83 PolarHBondContact O-N 2.98Å; W79-W89 HydrophobicContact CB-CH2 4.04Å; W79-W89 HydrophobicContact CB-CZ3 4.36Å; W79-F91 HydrophobicContact CB-CE2 4.28Å; W79-F91 AromaticContact CE3-CD1 3.87Å; W79-F91 HydrophobicContact CE3-CD1 3.87Å; W79-F91 HydrophobicContact CE3-CD2 4.2Å; W79-F91 AromaticContact CE3-CE1 3.6Å; W79-F91 HydrophobicContact CE3-CE1 3.6Å; W79-F91 AromaticContact CE3-CE2 3.97Å; W79-F91 HydrophobicContact CE3-CE2 3.97Å; W79-F91 HydrophobicContact CE3-CG 4.15Å; W79-F91 AromaticContact CE3-CZ 3.65Å; W79-F91 HydrophobicContact CE3-CZ 3.65Å; W79-F91 AromaticContact CZ3-CD1 3.91Å; W79-F91 HydrophobicContact CZ3-CD1 3.91Å; W79-F91 AromaticContact CZ3-CE1 3.7Å; W79-F91 HydrophobicContact CZ3-CE1 3.7Å; W79-F91 HydrophobicContact CZ3-CZ 4.19Å; W79-F91 WeakPolarHBondContact O-CE2 3.28Å; W79-F94 AromaticContact CD2-CE1 3.75Å; W79-F94 HydrophobicContact CD2-CE1 3.75Å; W79-F94 AromaticContact CE2-CE1 3.95Å; W79-F94 HydrophobicContact CE3-CD1 4.44Å; W79-F94 HydrophobicContact CE3-CE1 4.07Å; W79-F94 HydrophobicContact CG-CE1 4.02Å; W79-F94 HydrophobicContact CZ2-CE1 4.44Å; W79-W98 AromaticContact CD1-CD1 3.91Å |
| 80 | K | 86.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.7 | -30.8 | 177.2 | -178.2 | 60.4 | 172.9 | 172.1 | 0 | 112 | V76 A83 E84 W98 D317 W324 | V76-K80 PolarHBondContact O-N 3.21Å; K80-A83 PolarHBondContact O-N 3.47Å; K80-E84 IonicContact NZ-OE2 3.13Å; K80-E84 VanDerWaalsContact O-CB 3.31Å; K80-E84 WeakPolarHBondContact O-CB 3.24Å; K80-E84 PolarHBondContact O-N 2.99Å; K80-W98 HydrophobicContact CB-CH2 4.16Å; K80-W98 HydrophobicContact CB-CZ2 3.48Å; K80-W98 VanDerWaalsContact CB-CZ2 3.48Å; K80-W98 HydrophobicContact CD-CH2 4.26Å; K80-W98 HydrophobicContact CD-CZ2 4.46Å; K80-W98 HydrophobicContact CG-CH2 4.19Å; K80-W98 HydrophobicContact CG-CZ2 3.97Å; K80-D317 WeakPolarHBondContact CE-OD1 3.46Å; K80-D317 IonicContact NZ-OD1 3Å; K80-D317 PolarHBondContact NZ-OD1 2.9Å; K80-W324 HydrophobicContact CB-CH2 3.76Å; K80-W324 HydrophobicContact CB-CZ2 4.37Å; K80-W324 HydrophobicContact CG-CH2 3.52Å; K80-W324 HydrophobicContact CG-CZ2 4.23Å |
| 81 | A | 90.4 | Very high | 88.3 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L29 I33 M77 P78 E84 I85 | L29-A81 HydrophobicContact CB-CB 4.14Å; L29-A81 HydrophobicContact CD1-CB 3.81Å; I33-A81 HydrophobicContact CD1-CB 4.35Å; M77-A81 WeakPolarHBondContact O-CB 3.45Å; M77-A81 PolarHBondContact O-N 3.47Å; P78-A81 PolarHBondContact O-N 2.9Å; A81-E84 PolarHBondContact O-N 2.84Å; A81-I85 WeakPolarHBondContact O-CD1 3.32Å; A81-I85 VanDerWaalsContact O-CG1 3.26Å; A81-I85 WeakPolarHBondContact O-CG1 3.33Å; A81-I85 PolarHBondContact O-N 3.27Å |
| 82 | V | 90 | Very high | 87.6 | Confident | 71 Ų | 71 | 40.3 Ų | 40.3 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65 | -43.3 | 174 | 172.6 | 0 | 0 | 0 | 0 | 111 | P78 W79 E84 I85 A86 P90 F91 | P78-V82 WeakPolarHBondContact O-CG2 3.49Å; P78-V82 PolarHBondContact O-N 3.29Å; W79-V82 PolarHBondContact O-N 2.75Å; V82-E84 VanDerWaalsContact C-N 3.34Å; V82-E84 PolarHBondContact O-N 3.19Å; V82-I85 PolarHBondContact O-N 3.17Å; V82-A86 VanDerWaalsContact O-CB 3.23Å; V82-A86 WeakPolarHBondContact O-CB 3.43Å; V82-A86 PolarHBondContact O-N 3Å; V82-P90 HydrophobicContact CG1-CG 4.22Å; V82-F91 HydrophobicContact CB-CE2 4.17Å; V82-F91 HydrophobicContact CB-CZ 3.9Å; V82-F91 HydrophobicContact CG1-CE2 4.13Å; V82-F91 HydrophobicContact CG1-CZ 3.68Å; V82-F91 HydrophobicContact CG2-CZ 4.5Å |
| 83 | A | 85.3 | Confident | 86.9 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | W79 K80 A86 G87 F88 W89 | W79-A83 PolarHBondContact O-N 2.98Å; K80-A83 PolarHBondContact O-N 3.47Å; A83-A86 PolarHBondContact O-N 3.49Å; A83-G87 PolarHBondContact O-N 2.87Å; A83-F88 WeakPolarHBondContact CA-O 3.5Å; A83-F88 PolarHBondContact O-N 3.12Å; A83-W89 HydrophobicContact CB-CE3 3.65Å; A83-W89 HydrophobicContact CB-CZ3 4.18Å |
| 84 | E | 83.6 | Confident | 86.4 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.6 | -169.5 | 66.3 | -159.1 | 0 | 0 | 111.7 | T25 L29 K80 A81 V82 A86 G87 W321 | T25-E84 HydrophobicContact CG2-CG 3.98Å; L29-E84 HydrophobicContact CD1-CB 4.44Å; L29-E84 HydrophobicContact CD1-CG 4.48Å; K80-E84 IonicContact NZ-OE2 3.13Å; K80-E84 VanDerWaalsContact O-CB 3.31Å; K80-E84 WeakPolarHBondContact O-CB 3.24Å; K80-E84 PolarHBondContact O-N 2.99Å; A81-E84 PolarHBondContact O-N 2.84Å; V82-E84 VanDerWaalsContact C-N 3.34Å; V82-E84 PolarHBondContact O-N 3.19Å; E84-A86 VanDerWaalsContact C-N 3.33Å; E84-G87 PolarHBondContact O-N 3.45Å; E84-W321 HydrophobicContact CG-CH2 4.4Å; E84-W321 HydrophobicContact CG-CZ2 3.7Å |
| 85 | I | 86.7 | Confident | 85.7 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 177.1 | -64 | 163.8 | 0 | 0 | 0 | 109.7 | R22 A81 V82 G87 | R22-I85 PolarHBondContact NE-O 3.04Å; R22-I85 PolarHBondContact NH2-O 3.38Å; A81-I85 WeakPolarHBondContact O-CD1 3.32Å; A81-I85 VanDerWaalsContact O-CG1 3.26Å; A81-I85 WeakPolarHBondContact O-CG1 3.33Å; A81-I85 PolarHBondContact O-N 3.27Å; V82-I85 PolarHBondContact O-N 3.17Å; I85-G87 VanDerWaalsContact C-N 3.31Å; I85-G87 PolarHBondContact O-N 3.46Å |
| 86 | A | 83.9 | Confident | 85 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -26.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V82 A83 E84 F88 | V82-A86 VanDerWaalsContact O-CB 3.23Å; V82-A86 WeakPolarHBondContact O-CB 3.43Å; V82-A86 PolarHBondContact O-N 3Å; A83-A86 PolarHBondContact O-N 3.49Å; E84-A86 VanDerWaalsContact C-N 3.33Å; A86-F88 HydrophobicContact CB-CD1 4.01Å; A86-F88 HydrophobicContact CB-CE1 3.92Å; A86-F88 HydrophobicContact CB-CZ 4.47Å; A86-F88 VanDerWaalsContact O-CD1 3.31Å; A86-F88 WeakPolarHBondContact O-CD1 3.13Å |
| 87 | G | 78.1 | Confident | 84.7 | Confident | 57 Ų | 57 | 49.4 Ų | 49.4 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 4.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A83 E84 I85 | A83-G87 PolarHBondContact O-N 2.87Å; E84-G87 PolarHBondContact O-N 3.45Å; I85-G87 VanDerWaalsContact C-N 3.31Å; I85-G87 PolarHBondContact O-N 3.46Å |
| 88 | F | 78.3 | Confident | 84.5 | Confident | 91 Ų | 91 | 50 Ų | 50 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -153.7 | 168.8 | 176.8 | 69.4 | -85.1 | 0 | 0 | 0 | 109.8 | A83 A86 P90 M182 | A83-F88 WeakPolarHBondContact CA-O 3.5Å; A83-F88 PolarHBondContact O-N 3.12Å; A86-F88 HydrophobicContact CB-CD1 4.01Å; A86-F88 HydrophobicContact CB-CE1 3.92Å; A86-F88 HydrophobicContact CB-CZ 4.47Å; A86-F88 VanDerWaalsContact O-CD1 3.31Å; A86-F88 WeakPolarHBondContact O-CD1 3.13Å; F88-P90 HydrophobicContact CD2-CB 4.45Å; F88-P90 HydrophobicContact CE2-CB 3.78Å; F88-P90 HydrophobicContact CZ-CB 4.35Å; F88-P90 WeakPolarHBondContact O-CD 3.37Å; F88-M182 HydrophobicContact CB-CG 4.22Å; F88-M182 HydrophobicContact CB-SD 4.29Å |
| 89 | W | 82.4 | Confident | 83.9 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | trans | -90.7 | 107.4 | 176.3 | -178.7 | -98.8 | 0 | 0 | 0 | 112.1 | W79 A83 F91 G92 F94 C95 W98 C185 | W79-W89 HydrophobicContact CB-CH2 4.04Å; W79-W89 HydrophobicContact CB-CZ3 4.36Å; A83-W89 HydrophobicContact CB-CE3 3.65Å; A83-W89 HydrophobicContact CB-CZ3 4.18Å; W89-F91 HydrophobicContact CD2-CD2 4.02Å; W89-F91 AromaticContact CE2-CD2 3.83Å; W89-F91 HydrophobicContact CE3-CD2 4.13Å; W89-F91 AromaticContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CZ2-CB 3.79Å; W89-F91 AromaticContact CZ2-CD2 3.77Å; W89-F91 HydrophobicContact CZ2-CD2 3.77Å; W89-F91 HydrophobicContact CZ2-CG 4.22Å; W89-F91 HydrophobicContact CZ3-CD2 4.05Å; W89-F91 PolarHBondContact O-N 2.91Å; W89-G92 PolarHBondContact NE1-O 2.95Å; W89-F94 HydrophobicContact CH2-CD1 4.37Å; W89-F94 HydrophobicContact CZ2-CB 4.49Å; W89-F94 AromaticContact CZ2-CD1 3.88Å; W89-F94 HydrophobicContact CZ2-CD1 3.88Å; W89-C95 HydrophobicContact CZ2-CB 4.26Å; W89-W98 HydrophobicContact CH2-CB 3.77Å; W89-W98 AromaticContact CH2-CD2 3.82Å; W89-W98 HydrophobicContact CH2-CD2 3.82Å; W89-W98 HydrophobicContact CH2-CE3 4.24Å; W89-W98 AromaticContact CH2-CG 3.56Å; W89-W98 HydrophobicContact CH2-CG 3.56Å; W89-W98 HydrophobicContact CZ2-CB 4.09Å; W89-W98 HydrophobicContact CZ2-CG 4.36Å; W89-W98 HydrophobicContact CZ3-CD2 4.14Å; W89-W98 HydrophobicContact CZ3-CE3 4.36Å; W89-W98 HydrophobicContact CZ3-CG 4.32Å; W89-C185 HydrophobicContact CB-CB 3.77Å; W89-C185 HydrophobicContact CD2-CB 3.52Å; W89-C185 HydrophobicContact CE3-CB 3.74Å; W89-C185 HydrophobicContact CG-CB 3.53Å | ||
| 90 | P | 83 | Confident | 83.7 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -10 | -175.8 | 33.9 | -36.8 | 0 | 0 | 0 | 113.9 | V82 F88 G92 | V82-P90 HydrophobicContact CG1-CG 4.22Å; F88-P90 HydrophobicContact CD2-CB 4.45Å; F88-P90 HydrophobicContact CE2-CB 3.78Å; F88-P90 HydrophobicContact CZ-CB 4.35Å; F88-P90 WeakPolarHBondContact O-CD 3.37Å; P90-G92 VanDerWaalsContact C-N 3.34Å; P90-G92 PolarHBondContact O-N 3.3Å |
| 91 | F | 84.9 | Confident | 83.8 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 12.5 | -169.4 | -48.2 | -75.3 | 0 | 0 | 0 | 114.1 | W79 V82 W89 S93 F94 | W79-F91 HydrophobicContact CB-CE2 4.28Å; W79-F91 AromaticContact CE3-CD1 3.87Å; W79-F91 HydrophobicContact CE3-CD1 3.87Å; W79-F91 HydrophobicContact CE3-CD2 4.2Å; W79-F91 AromaticContact CE3-CE1 3.6Å; W79-F91 HydrophobicContact CE3-CE1 3.6Å; W79-F91 AromaticContact CE3-CE2 3.97Å; W79-F91 HydrophobicContact CE3-CE2 3.97Å; W79-F91 HydrophobicContact CE3-CG 4.15Å; W79-F91 AromaticContact CE3-CZ 3.65Å; W79-F91 HydrophobicContact CE3-CZ 3.65Å; W79-F91 AromaticContact CZ3-CD1 3.91Å; W79-F91 HydrophobicContact CZ3-CD1 3.91Å; W79-F91 AromaticContact CZ3-CE1 3.7Å; W79-F91 HydrophobicContact CZ3-CE1 3.7Å; W79-F91 HydrophobicContact CZ3-CZ 4.19Å; W79-F91 WeakPolarHBondContact O-CE2 3.28Å; V82-F91 HydrophobicContact CB-CE2 4.17Å; V82-F91 HydrophobicContact CB-CZ 3.9Å; V82-F91 HydrophobicContact CG1-CE2 4.13Å; V82-F91 HydrophobicContact CG1-CZ 3.68Å; V82-F91 HydrophobicContact CG2-CZ 4.5Å; W89-F91 HydrophobicContact CD2-CD2 4.02Å; W89-F91 AromaticContact CE2-CD2 3.83Å; W89-F91 HydrophobicContact CE3-CD2 4.13Å; W89-F91 AromaticContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CH2-CD2 3.87Å; W89-F91 HydrophobicContact CZ2-CB 3.79Å; W89-F91 AromaticContact CZ2-CD2 3.77Å; W89-F91 HydrophobicContact CZ2-CD2 3.77Å; W89-F91 HydrophobicContact CZ2-CG 4.22Å; W89-F91 HydrophobicContact CZ3-CD2 4.05Å; W89-F91 PolarHBondContact O-N 2.91Å; F91-S93 PolarHBondContact O-N 3.23Å; F91-F94 HydrophobicContact CB-CB 3.99Å; F91-F94 HydrophobicContact CB-CD1 4.17Å; F91-F94 VanDerWaalsContact O-CB 3.25Å; F91-F94 WeakPolarHBondContact O-CB 3.27Å; F91-F94 PolarHBondContact O-N 3.05Å |
| 92 | G | 82.5 | Confident | 83.6 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -130.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W89 P90 F94 C95 | W89-G92 PolarHBondContact NE1-O 2.95Å; P90-G92 VanDerWaalsContact C-N 3.34Å; P90-G92 PolarHBondContact O-N 3.3Å; G92-F94 PolarHBondContact O-N 2.88Å; G92-C95 PolarHBondContact O-N 3.34Å |
| 93 | S | 79.5 | Confident | 83.4 | Confident | 108 Ų | 108 | 45 Ų | 45 | 76% | 0.755 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -12.2 | -175.3 | 62 | 0 | 0 | 0 | 0 | 115.3 | F91 C95 | F91-S93 PolarHBondContact O-N 3.23Å; S93-C95 PolarHBondContact O-N 3.45Å; S93-C95 VanDerWaalsContact O-N 3.1Å |
| 94 | F | 84.1 | Confident | 83.7 | Confident | 59 Ų | 59 | 45.3 Ų | 45.3 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -17.9 | 173.2 | -173 | -113.3 | 0 | 0 | 0 | 112.7 | W79 W89 F91 G92 N96 I97 W98 | W79-F94 AromaticContact CD2-CE1 3.75Å; W79-F94 HydrophobicContact CD2-CE1 3.75Å; W79-F94 AromaticContact CE2-CE1 3.95Å; W79-F94 HydrophobicContact CE3-CD1 4.44Å; W79-F94 HydrophobicContact CE3-CE1 4.07Å; W79-F94 HydrophobicContact CG-CE1 4.02Å; W79-F94 HydrophobicContact CZ2-CE1 4.44Å; W89-F94 HydrophobicContact CH2-CD1 4.37Å; W89-F94 HydrophobicContact CZ2-CB 4.49Å; W89-F94 AromaticContact CZ2-CD1 3.88Å; W89-F94 HydrophobicContact CZ2-CD1 3.88Å; F91-F94 HydrophobicContact CB-CB 3.99Å; F91-F94 HydrophobicContact CB-CD1 4.17Å; F91-F94 VanDerWaalsContact O-CB 3.25Å; F91-F94 WeakPolarHBondContact O-CB 3.27Å; F91-F94 PolarHBondContact O-N 3.05Å; G92-F94 PolarHBondContact O-N 2.88Å; F94-N96 VanDerWaalsContact C-N 3.33Å; F94-N96 PolarHBondContact O-N 3.43Å; F94-I97 HydrophobicContact CD2-CB 4.07Å; F94-I97 HydrophobicContact CD2-CD1 4.36Å; F94-I97 HydrophobicContact CD2-CG2 4.19Å; F94-I97 HydrophobicContact CE2-CB 4.13Å; F94-I97 HydrophobicContact CE2-CG2 3.76Å; F94-I97 PolarHBondContact O-N 3.05Å; F94-I97 VanDerWaalsContact O-N 3.13Å; F94-W98 HydrophobicContact CD1-CB 4.21Å; F94-W98 HydrophobicContact CE1-CB 4.02Å; F94-W98 WeakPolarHBondContact O-CB 3.31Å; F94-W98 PolarHBondContact O-N 3.23Å |
| 95 | C | 82.3 | Confident | 84.1 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 17% | 0.169 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -48.3 | -48.8 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 113.2 | W89 G92 S93 I97 W98 V99 C185 | W89-C95 HydrophobicContact CZ2-CB 4.26Å; G92-C95 PolarHBondContact O-N 3.34Å; S93-C95 PolarHBondContact O-N 3.45Å; S93-C95 VanDerWaalsContact O-N 3.1Å; C95-I97 VanDerWaalsContact C-N 3.33Å; C95-I97 PolarHBondContact O-N 3.04Å; C95-W98 PolarHBondContact O-N 2.99Å; C95-V99 WeakPolarHBondContact O-CG2 3.44Å; C95-V99 PolarHBondContact O-N 3.49Å; C95-C185 WeakPolarHBondContact CA-SG 3.48Å; C95-C185 HydrophobicContact CB-CB 3.81Å; C95-C185 WeakPolarHBondContact CB-SG 3.27Å; C95-C185 VanDerWaalsContact SG-CA 3.59Å; C95-C185 WeakPolarHBondContact SG-CB 3.4Å; C95-C185 CovalentContact SG-SG 2.03Å; C95-C185 PolarHBondContact SG-SG 3.41Å |
| 96 | N | 77.8 | Confident | 84.2 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.3 | -38.5 | -177.4 | -61.4 | -65 | 0 | 0 | 0 | 112.2 | F94 A100 V158 H163 | F94-N96 VanDerWaalsContact C-N 3.33Å; F94-N96 PolarHBondContact O-N 3.43Å; N96-A100 PolarHBondContact O-N 2.96Å; N96-A100 VanDerWaalsContact O-N 3.09Å; N96-V158 HydrophobicContact CB-CG1 4.29Å; N96-V158 WeakPolarHBondContact O-CG1 3.21Å; N96-H163 PolarHBondContact OD1-NE2 2.98Å; N96-H163 VanDerWaalsContact OD1-NE2 3.16Å |
| 97 | I | 83.8 | Confident | 84.5 | Confident | 83 Ų | 83 | 39.7 Ų | 39.7 | 43% | 0.426 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.3 | -43.3 | 178.1 | -64.2 | 172.5 | 0 | 0 | 0 | 109.8 | F94 C95 A100 F101 | F94-I97 HydrophobicContact CD2-CB 4.07Å; F94-I97 HydrophobicContact CD2-CD1 4.36Å; F94-I97 HydrophobicContact CD2-CG2 4.19Å; F94-I97 HydrophobicContact CE2-CB 4.13Å; F94-I97 HydrophobicContact CE2-CG2 3.76Å; F94-I97 PolarHBondContact O-N 3.05Å; F94-I97 VanDerWaalsContact O-N 3.13Å; C95-I97 VanDerWaalsContact C-N 3.33Å; C95-I97 PolarHBondContact O-N 3.04Å; I97-A100 PolarHBondContact O-N 3.03Å; I97-F101 HydrophobicContact CG2-CD2 3.68Å; I97-F101 HydrophobicContact CG2-CE2 3.4Å; I97-F101 VanDerWaalsContact O-CD2 3.22Å; I97-F101 WeakPolarHBondContact O-CD2 3.36Å; I97-F101 PolarHBondContact O-N 3.17Å |
| 98 | W | 86.9 | Confident | 85.3 | Confident | 15 Ų | 15 | 37 Ų | 37 | 6% | 0.057 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.7 | 175.7 | 82.5 | 0 | 0 | 0 | 111.8 | V76 W79 K80 W89 F94 C95 A100 F101 D102 | V76-W98 HydrophobicContact CG1-CZ2 3.94Å; V76-W98 PolarHBondContact O-NE1 3.39Å; W79-W98 AromaticContact CD1-CD1 3.91Å; K80-W98 HydrophobicContact CB-CH2 4.16Å; K80-W98 HydrophobicContact CB-CZ2 3.48Å; K80-W98 VanDerWaalsContact CB-CZ2 3.48Å; K80-W98 HydrophobicContact CD-CH2 4.26Å; K80-W98 HydrophobicContact CD-CZ2 4.46Å; K80-W98 HydrophobicContact CG-CH2 4.19Å; K80-W98 HydrophobicContact CG-CZ2 3.97Å; W89-W98 HydrophobicContact CH2-CB 3.77Å; W89-W98 AromaticContact CH2-CD2 3.82Å; W89-W98 HydrophobicContact CH2-CD2 3.82Å; W89-W98 HydrophobicContact CH2-CE3 4.24Å; W89-W98 AromaticContact CH2-CG 3.56Å; W89-W98 HydrophobicContact CH2-CG 3.56Å; W89-W98 HydrophobicContact CZ2-CB 4.09Å; W89-W98 HydrophobicContact CZ2-CG 4.36Å; W89-W98 HydrophobicContact CZ3-CD2 4.14Å; W89-W98 HydrophobicContact CZ3-CE3 4.36Å; W89-W98 HydrophobicContact CZ3-CG 4.32Å; F94-W98 HydrophobicContact CD1-CB 4.21Å; F94-W98 HydrophobicContact CE1-CB 4.02Å; F94-W98 WeakPolarHBondContact O-CB 3.31Å; F94-W98 PolarHBondContact O-N 3.23Å; C95-W98 PolarHBondContact O-N 2.99Å; W98-A100 VanDerWaalsContact C-N 3.31Å; W98-A100 PolarHBondContact O-N 3.36Å; W98-F101 PolarHBondContact O-N 3.27Å; W98-F101 VanDerWaalsContact O-N 3.12Å; W98-D102 HydrophobicContact CZ2-CB 4.39Å; W98-D102 PolarHBondContact O-N 2.67Å |
| 99 | V | 82 | Confident | 85.9 | Confident | 17 Ų | 17 | 32.7 Ų | 32.7 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -42.6 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | C95 F101 D102 I103 | C95-V99 WeakPolarHBondContact O-CG2 3.44Å; C95-V99 PolarHBondContact O-N 3.49Å; V99-F101 PolarHBondContact O-N 3.39Å; V99-D102 PolarHBondContact O-N 2.93Å; V99-I103 HydrophobicContact CG1-CD1 3.76Å; V99-I103 HydrophobicContact CG1-CG1 4.41Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.28Å; V99-I103 PolarHBondContact O-N 3.3Å |
| 100 | A | 85.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N96 I97 W98 M104 S154 F155 V158 | N96-A100 PolarHBondContact O-N 2.96Å; N96-A100 VanDerWaalsContact O-N 3.09Å; I97-A100 PolarHBondContact O-N 3.03Å; W98-A100 VanDerWaalsContact C-N 3.31Å; W98-A100 PolarHBondContact O-N 3.36Å; A100-M104 WeakPolarHBondContact O-CB 3.28Å; A100-M104 PolarHBondContact O-N 2.98Å; A100-S154 WeakPolarHBondContact O-CB 3.29Å; A100-F155 HydrophobicContact CB-CD1 4.38Å; A100-F155 HydrophobicContact CB-CE1 4.23Å; A100-F155 HydrophobicContact CB-CE2 4.45Å; A100-F155 HydrophobicContact CB-CZ 4.26Å; A100-V158 HydrophobicContact CB-CB 4.23Å; A100-V158 HydrophobicContact CB-CG1 4.14Å; A100-V158 HydrophobicContact CB-CG2 4.09Å |
| 101 | F | 89.4 | Confident | 86.8 | Confident | 52 Ų | 52 | 30 Ų | 30 | 23% | 0.228 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 177.2 | -78.1 | -57.3 | 0 | 0 | 0 | 112.8 | L75 I97 W98 V99 M104 C105 F155 | L75-F101 HydrophobicContact CB-CB 4.49Å; L75-F101 HydrophobicContact CD1-CD1 3.94Å; L75-F101 HydrophobicContact CD1-CE1 4.13Å; L75-F101 HydrophobicContact CD1-CG 4.41Å; I97-F101 HydrophobicContact CG2-CD2 3.68Å; I97-F101 HydrophobicContact CG2-CE2 3.4Å; I97-F101 VanDerWaalsContact O-CD2 3.22Å; I97-F101 WeakPolarHBondContact O-CD2 3.36Å; I97-F101 PolarHBondContact O-N 3.17Å; W98-F101 PolarHBondContact O-N 3.27Å; W98-F101 VanDerWaalsContact O-N 3.12Å; V99-F101 PolarHBondContact O-N 3.39Å; F101-M104 HydrophobicContact CD1-CE 3.89Å; F101-M104 HydrophobicContact CE1-CE 4.36Å; F101-M104 PolarHBondContact O-N 3.04Å; F101-C105 WeakPolarHBondContact O-CB 3.44Å; F101-C105 PolarHBondContact O-N 3.49Å; F101-C105 PolarHBondContact O-SG 3.4Å; F101-F155 HydrophobicContact CD1-CZ 4.24Å; F101-F155 AromaticContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CZ-CZ 4.37Å |
| 102 | D | 86.5 | Confident | 87.2 | Confident | 28 Ų | 28 | 27 Ų | 27 | 15% | 0.15 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -52.8 | 176.3 | -177.2 | 25.8 | 0 | 0 | 0 | 111.2 | V76 W98 V99 M104 C105 S106 | V76-D102 HydrophobicContact CG1-CB 3.77Å; V76-D102 WeakPolarHBondContact CG1-OD1 3.47Å; V76-D102 HydrophobicContact CG2-CB 4.18Å; W98-D102 HydrophobicContact CZ2-CB 4.39Å; W98-D102 PolarHBondContact O-N 2.67Å; V99-D102 PolarHBondContact O-N 2.93Å; D102-M104 VanDerWaalsContact C-N 3.32Å; D102-M104 PolarHBondContact O-N 3.41Å; D102-C105 PolarHBondContact O-N 3.48Å; D102-S106 WeakPolarHBondContact O-CB 3.07Å; D102-S106 PolarHBondContact O-N 3.39Å; D102-S106 PolarHBondContact O-OG 3.39Å; D102-S106 PolarHBondContact OD1-OG 2.76Å |
| 103 | I | 85.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 25 Ų | 25 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 178.6 | -62.6 | 173.1 | 0 | 0 | 0 | 110.5 | V99 T107 Y193 | V99-I103 HydrophobicContact CG1-CD1 3.76Å; V99-I103 HydrophobicContact CG1-CG1 4.41Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.28Å; V99-I103 PolarHBondContact O-N 3.3Å; I103-T107 WeakPolarHBondContact O-CB 3.37Å; I103-T107 PolarHBondContact O-N 2.67Å; I103-T107 PolarHBondContact O-OG1 3.08Å; I103-Y193 HydrophobicContact CD1-CE1 4.28Å; I103-Y193 WeakPolarHBondContact CD1-OH 3.45Å |
| 104 | M | 91.5 | Very high | 88.1 | Confident | 16 Ų | 16 | 20.4 Ų | 20.4 | 8% | 0.079 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62 | -53.8 | 179.4 | -173.8 | -164.8 | 67.6 | 0 | 0 | 111.7 | A100 F101 D102 T107 A108 V151 S154 F155 | A100-M104 WeakPolarHBondContact O-CB 3.28Å; A100-M104 PolarHBondContact O-N 2.98Å; F101-M104 HydrophobicContact CD1-CE 3.89Å; F101-M104 HydrophobicContact CE1-CE 4.36Å; F101-M104 PolarHBondContact O-N 3.04Å; D102-M104 VanDerWaalsContact C-N 3.32Å; D102-M104 PolarHBondContact O-N 3.41Å; M104-T107 PolarHBondContact O-N 3.1Å; M104-A108 VanDerWaalsContact O-CB 3.29Å; M104-A108 WeakPolarHBondContact O-CB 3.25Å; M104-A108 PolarHBondContact O-N 2.62Å; M104-V151 HydrophobicContact CG-CG2 4.15Å; M104-V151 HydrophobicContact SD-CG2 3.74Å; M104-S154 VanDerWaalsContact CB-OG 3.28Å; M104-S154 WeakPolarHBondContact CB-OG 3.4Å; M104-F155 HydrophobicContact CB-CE2 4.28Å; M104-F155 HydrophobicContact CG-CE2 4.33Å; M104-F155 HydrophobicContact SD-CD2 4.44Å; M104-F155 HydrophobicContact SD-CE2 3.67Å |
| 105 | C | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | -173.7 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | V72 V76 F101 D102 A108 S109 | V72-C105 HydrophobicContact CB-CB 4.49Å; V72-C105 HydrophobicContact CG2-CB 3.52Å; V76-C105 HydrophobicContact CG2-CB 4.41Å; F101-C105 WeakPolarHBondContact O-CB 3.44Å; F101-C105 PolarHBondContact O-N 3.49Å; F101-C105 PolarHBondContact O-SG 3.4Å; D102-C105 PolarHBondContact O-N 3.48Å; C105-A108 PolarHBondContact O-N 3.42Å; C105-S109 PolarHBondContact O-N 3.14Å |
| 106 | S | 88.2 | Confident | 88.9 | Confident | 10 Ų | 10 | 18.6 Ų | 18.6 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | D102 A108 S109 I110 W284 | D102-S106 WeakPolarHBondContact O-CB 3.07Å; D102-S106 PolarHBondContact O-N 3.39Å; D102-S106 PolarHBondContact O-OG 3.39Å; D102-S106 PolarHBondContact OD1-OG 2.76Å; S106-A108 VanDerWaalsContact C-N 3.35Å; S106-A108 PolarHBondContact O-N 3.38Å; S106-S109 PolarHBondContact O-N 3.26Å; S106-I110 VanDerWaalsContact O-CG1 3.28Å; S106-I110 WeakPolarHBondContact O-CG1 3.21Å; S106-I110 PolarHBondContact O-N 2.92Å; S106-W284 WeakPolarHBondContact OG-CH2 3.34Å |
| 107 | T | 90.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 16.4 Ų | 16.4 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | I103 M104 I110 L111 I153 S201 | I103-T107 WeakPolarHBondContact O-CB 3.37Å; I103-T107 PolarHBondContact O-N 2.67Å; I103-T107 PolarHBondContact O-OG1 3.08Å; M104-T107 PolarHBondContact O-N 3.1Å; T107-I110 PolarHBondContact O-N 3.43Å; T107-L111 HydrophobicContact CG2-CD1 3.91Å; T107-L111 HydrophobicContact CG2-CG 4.17Å; T107-L111 WeakPolarHBondContact O-CB 3.48Å; T107-L111 WeakPolarHBondContact O-CG 3.44Å; T107-L111 PolarHBondContact O-N 2.86Å; T107-I153 HydrophobicContact CG2-CD1 4.31Å; T107-S201 VanDerWaalsContact CG2-OG 3.27Å; T107-S201 WeakPolarHBondContact CG2-OG 3.42Å; T107-S201 WeakPolarHBondContact OG1-CB 3.47Å; T107-S201 PolarHBondContact OG1-OG 3.43Å |
| 108 | A | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | M104 C105 S106 I110 L111 N112 W147 S150 | M104-A108 VanDerWaalsContact O-CB 3.29Å; M104-A108 WeakPolarHBondContact O-CB 3.25Å; M104-A108 PolarHBondContact O-N 2.62Å; C105-A108 PolarHBondContact O-N 3.42Å; S106-A108 VanDerWaalsContact C-N 3.35Å; S106-A108 PolarHBondContact O-N 3.38Å; A108-I110 PolarHBondContact O-N 3.29Å; A108-L111 PolarHBondContact O-N 2.96Å; A108-N112 WeakPolarHBondContact O-CB 3.46Å; A108-N112 PolarHBondContact O-N 3.43Å; A108-N112 PolarHBondContact O-ND2 2.93Å; A108-W147 HydrophobicContact CB-CE3 4.28Å; A108-W147 HydrophobicContact CB-CZ3 4.27Å; A108-S150 WeakPolarHBondContact CA-OG 3.47Å; A108-S150 PolarHBondContact N-OG 3.46Å |
| 109 | S | 92.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 176 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | L65 S68 D69 C105 S106 N112 L113 | L65-S109 WeakPolarHBondContact CD1-O 3.29Å; S68-S109 WeakPolarHBondContact CB-OG 3.27Å; S68-S109 WeakPolarHBondContact OG-CA 3.32Å; S68-S109 PolarHBondContact OG-OG 3.02Å; D69-S109 PolarHBondContact OD1-OG 3.05Å; C105-S109 PolarHBondContact O-N 3.14Å; S106-S109 PolarHBondContact O-N 3.26Å; S109-N112 PolarHBondContact O-N 2.78Å; S109-L113 WeakPolarHBondContact O-CG 3.43Å; S109-L113 PolarHBondContact O-N 3.46Å |
| 110 | I | 90.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 177.3 | -62.6 | 166.8 | 0 | 0 | 0 | 111.6 | S106 T107 A108 N112 L113 C114 S201 F202 P205 F280 F288 | S106-I110 VanDerWaalsContact O-CG1 3.28Å; S106-I110 WeakPolarHBondContact O-CG1 3.21Å; S106-I110 PolarHBondContact O-N 2.92Å; T107-I110 PolarHBondContact O-N 3.43Å; A108-I110 PolarHBondContact O-N 3.29Å; I110-N112 PolarHBondContact O-N 3.5Å; I110-L113 WeakPolarHBondContact O-CB 3.32Å; I110-L113 PolarHBondContact O-N 2.95Å; I110-C114 PolarHBondContact O-N 2.95Å; I110-S201 WeakPolarHBondContact CD1-O 3.31Å; I110-S201 VanDerWaalsContact CG2-O 3.25Å; I110-S201 WeakPolarHBondContact CG2-O 3.25Å; I110-F202 HydrophobicContact CD1-CD2 4.26Å; I110-P205 HydrophobicContact CG2-CB 3.62Å; I110-P205 HydrophobicContact CG2-CG 4.05Å; I110-F280 HydrophobicContact CB-CE2 4.4Å; I110-F280 HydrophobicContact CB-CZ 4.13Å; I110-F280 HydrophobicContact CG1-CE2 3.76Å; I110-F280 HydrophobicContact CG1-CZ 3.74Å; I110-F280 HydrophobicContact CG2-CE2 4.44Å; I110-F280 HydrophobicContact CG2-CZ 3.7Å; I110-F288 HydrophobicContact CD1-CE2 3.99Å; I110-F288 HydrophobicContact CD1-CZ 4.05Å |
| 111 | L | 92.7 | Very high | 90.2 | Very high | 24 Ų | 24 | 19.2 Ų | 19.2 | 13% | 0.126 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 179.8 | -70.5 | -179.6 | 0 | 0 | 0 | 111.8 | T107 A108 C114 V115 A146 L149 P205 | T107-L111 HydrophobicContact CG2-CD1 3.91Å; T107-L111 HydrophobicContact CG2-CG 4.17Å; T107-L111 WeakPolarHBondContact O-CB 3.48Å; T107-L111 WeakPolarHBondContact O-CG 3.44Å; T107-L111 PolarHBondContact O-N 2.86Å; A108-L111 PolarHBondContact O-N 2.96Å; L111-C114 WeakPolarHBondContact O-CB 3.37Å; L111-C114 PolarHBondContact O-N 2.96Å; L111-V115 WeakPolarHBondContact O-CG2 3.45Å; L111-V115 PolarHBondContact O-N 3Å; L111-A146 HydrophobicContact CB-CB 3.96Å; L111-A146 WeakPolarHBondContact CD1-O 3.36Å; L111-L149 HydrophobicContact CD1-CB 3.87Å; L111-P205 HydrophobicContact CD2-CG 3.76Å |
| 112 | N | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 173.4 | -82.5 | -73.3 | 0 | 0 | 0 | 111.8 | S64 L65 A108 S109 I110 C114 V115 I116 | S64-N112 VanDerWaalsContact CB-OD1 3.28Å; S64-N112 WeakPolarHBondContact CB-OD1 3.5Å; S64-N112 PolarHBondContact OG-ND2 3.48Å; S64-N112 PolarHBondContact OG-OD1 2.56Å; L65-N112 HydrophobicContact CB-CB 4.09Å; L65-N112 HydrophobicContact CD1-CB 4.14Å; A108-N112 WeakPolarHBondContact O-CB 3.46Å; A108-N112 PolarHBondContact O-N 3.43Å; A108-N112 PolarHBondContact O-ND2 2.93Å; S109-N112 PolarHBondContact O-N 2.78Å; I110-N112 PolarHBondContact O-N 3.5Å; N112-C114 VanDerWaalsContact C-N 3.34Å; N112-C114 PolarHBondContact O-N 3.46Å; N112-V115 PolarHBondContact O-N 3.32Å; N112-I116 VanDerWaalsContact O-CG1 3.28Å; N112-I116 WeakPolarHBondContact O-CG1 3.41Å; N112-I116 PolarHBondContact O-N 3.48Å |
| 113 | L | 89.2 | Confident | 90.2 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 173.1 | -76.3 | 170.8 | 0 | 0 | 0 | 112.4 | L65 S109 I110 I116 S117 M209 I276 F280 | L65-L113 HydrophobicContact CD1-CG 4.17Å; L65-L113 HydrophobicContact CD2-CD2 3.48Å; L65-L113 VanDerWaalsContact CD2-CD2 3.48Å; L65-L113 HydrophobicContact CD2-CG 3.86Å; S109-L113 WeakPolarHBondContact O-CG 3.43Å; S109-L113 PolarHBondContact O-N 3.46Å; I110-L113 WeakPolarHBondContact O-CB 3.32Å; I110-L113 PolarHBondContact O-N 2.95Å; L113-I116 PolarHBondContact O-N 3.22Å; L113-S117 WeakPolarHBondContact O-CB 3.47Å; L113-S117 PolarHBondContact O-N 3.03Å; L113-S117 PolarHBondContact O-OG 3.04Å; L113-M209 HydrophobicContact CB-CE 4.06Å; L113-M209 HydrophobicContact CB-SD 4.38Å; L113-I276 HydrophobicContact CD2-CG2 4.38Å; L113-F280 HydrophobicContact CD1-CB 4.5Å; L113-F280 HydrophobicContact CD1-CD2 3.3Å; L113-F280 HydrophobicContact CD1-CE2 3.64Å; L113-F280 HydrophobicContact CD1-CG 3.97Å |
| 114 | C | 92 | Very high | 90.1 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 8% | 0.081 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | I110 L111 N112 S117 V118 P205 M209 | I110-C114 PolarHBondContact O-N 2.95Å; L111-C114 WeakPolarHBondContact O-CB 3.37Å; L111-C114 PolarHBondContact O-N 2.96Å; N112-C114 VanDerWaalsContact C-N 3.34Å; N112-C114 PolarHBondContact O-N 3.46Å; C114-S117 VanDerWaalsContact O-CB 3.25Å; C114-S117 WeakPolarHBondContact O-CB 3.28Å; C114-S117 PolarHBondContact O-N 3.47Å; C114-S117 VanDerWaalsContact O-N 3.17Å; C114-V118 WeakPolarHBondContact O-CG2 3.24Å; C114-V118 PolarHBondContact O-N 3.45Å; C114-P205 HydrophobicContact CB-CB 4.09Å; C114-M209 HydrophobicContact CB-CG 4.1Å; C114-M209 HydrophobicContact CB-SD 4.17Å |
| 115 | V | 92.7 | Very high | 89.7 | Confident | 25 Ų | 25 | 22.2 Ų | 22.2 | 15% | 0.152 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 175.3 | 170 | 0 | 0 | 0 | 0 | 111 | F61 L111 N112 S117 V118 D119 L142 A146 | F61-V115 HydrophobicContact CD1-CG1 3.52Å; F61-V115 HydrophobicContact CE1-CG1 3.43Å; F61-V115 VanDerWaalsContact CE1-CG1 3.43Å; F61-V115 HydrophobicContact CG-CG1 4.26Å; F61-V115 HydrophobicContact CZ-CG1 4.11Å; L111-V115 WeakPolarHBondContact O-CG2 3.45Å; L111-V115 PolarHBondContact O-N 3Å; N112-V115 PolarHBondContact O-N 3.32Å; V115-S117 PolarHBondContact O-N 2.89Å; V115-V118 PolarHBondContact O-N 3.23Å; V115-D119 VanDerWaalsContact O-CB 3.3Å; V115-D119 WeakPolarHBondContact O-CB 3.4Å; V115-D119 PolarHBondContact O-N 2.92Å; V115-L142 HydrophobicContact CG1-CB 4.12Å; V115-L142 HydrophobicContact CG1-CD1 4.44Å; V115-A146 HydrophobicContact CG2-CB 4.46Å |
| 116 | I | 90.5 | Very high | 89.3 | Confident | 22 Ų | 22 | 24 Ų | 24 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.5 | -43.1 | 173.9 | -68.7 | 164.9 | 0 | 0 | 0 | 109.9 | F61 L65 N112 L113 D119 R120 | F61-I116 HydrophobicContact CB-CD1 4.25Å; F61-I116 HydrophobicContact CB-CG1 3.59Å; F61-I116 HydrophobicContact CG-CG1 4.46Å; L65-I116 HydrophobicContact CB-CD1 4.42Å; L65-I116 HydrophobicContact CD2-CD1 3.76Å; N112-I116 VanDerWaalsContact O-CG1 3.28Å; N112-I116 WeakPolarHBondContact O-CG1 3.41Å; N112-I116 PolarHBondContact O-N 3.48Å; L113-I116 PolarHBondContact O-N 3.22Å; I116-D119 PolarHBondContact O-N 2.85Å; I116-R120 HydrophobicContact CG2-CG 4.25Å; I116-R120 WeakPolarHBondContact O-CB 3.21Å; I116-R120 VanDerWaalsContact O-CG 3.25Å; I116-R120 WeakPolarHBondContact O-CG 3.36Å; I116-R120 PolarHBondContact O-N 3.41Å |
| 117 | S | 88.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -47.4 | 179.3 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | L113 C114 V115 R120 Y121 Y213 M277 | L113-S117 WeakPolarHBondContact O-CB 3.47Å; L113-S117 PolarHBondContact O-N 3.03Å; L113-S117 PolarHBondContact O-OG 3.04Å; C114-S117 VanDerWaalsContact O-CB 3.25Å; C114-S117 WeakPolarHBondContact O-CB 3.28Å; C114-S117 PolarHBondContact O-N 3.47Å; C114-S117 VanDerWaalsContact O-N 3.17Å; V115-S117 PolarHBondContact O-N 2.89Å; S117-R120 PolarHBondContact O-N 2.9Å; S117-Y121 PolarHBondContact O-N 3.27Å; S117-Y213 VanDerWaalsContact CB-CE2 3.49Å; S117-Y213 WeakPolarHBondContact OG-CE2 3.33Å; S117-M277 WeakPolarHBondContact OG-CE 3.38Å |
| 118 | V | 90.1 | Very high | 88.8 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 35% | 0.352 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | C114 V115 Y121 W122 I208 T212 | C114-V118 WeakPolarHBondContact O-CG2 3.24Å; C114-V118 PolarHBondContact O-N 3.45Å; V115-V118 PolarHBondContact O-N 3.23Å; V118-Y121 WeakPolarHBondContact O-CB 3.21Å; V118-Y121 PolarHBondContact O-N 2.72Å; V118-W122 PolarHBondContact O-N 2.65Å; V118-I208 HydrophobicContact CG2-CG2 3.84Å; V118-T212 HydrophobicContact CG2-CG2 4.22Å |
| 119 | D | 90.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 176.7 | 165.6 | 76.6 | 0 | 0 | 0 | 111.6 | F61 V115 I116 Y121 W122 A123 Y130 M134 | F61-D119 HydrophobicContact CD2-CB 4.4Å; F61-D119 HydrophobicContact CE2-CB 4.06Å; V115-D119 VanDerWaalsContact O-CB 3.3Å; V115-D119 WeakPolarHBondContact O-CB 3.4Å; V115-D119 PolarHBondContact O-N 2.92Å; I116-D119 PolarHBondContact O-N 2.85Å; D119-Y121 VanDerWaalsContact C-N 3.34Å; D119-Y121 PolarHBondContact O-N 2.93Å; D119-W122 PolarHBondContact O-N 3.17Å; D119-A123 WeakPolarHBondContact O-CB 3.32Å; D119-A123 PolarHBondContact O-N 3.13Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.33Å; D119-Y130 VanDerWaalsContact OD1-CZ 3.27Å; D119-Y130 PolarHBondContact OD1-OH 2.96Å; D119-M134 HydrophobicContact CB-CE 4.19Å; D119-M134 WeakPolarHBondContact OD1-CE 3.47Å |
| 120 | R | 87.7 | Confident | 88.3 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 176 | -66 | -58.5 | 80.5 | -152.5 | -14.5 | 111.6 | I116 S117 W122 A123 I124 Y130 I216 L273 | I116-R120 HydrophobicContact CG2-CG 4.25Å; I116-R120 WeakPolarHBondContact O-CB 3.21Å; I116-R120 VanDerWaalsContact O-CG 3.25Å; I116-R120 WeakPolarHBondContact O-CG 3.36Å; I116-R120 PolarHBondContact O-N 3.41Å; S117-R120 PolarHBondContact O-N 2.9Å; R120-W122 VanDerWaalsContact C-N 3.34Å; R120-W122 PolarHBondContact O-N 3.38Å; R120-A123 PolarHBondContact O-N 2.87Å; R120-I124 WeakPolarHBondContact O-CB 3.32Å; R120-I124 WeakPolarHBondContact O-CD1 3.25Å; R120-I124 VanDerWaalsContact O-CG1 3.29Å; R120-I124 WeakPolarHBondContact O-CG1 3.35Å; R120-I124 PolarHBondContact O-N 3.33Å; R120-Y130 PolarHBondContact NH2-OH 3.27Å; R120-Y130 VanDerWaalsContact NH2-OH 3.1Å; R120-I216 HydrophobicContact CB-CD1 4.43Å; R120-L273 HydrophobicContact CB-CD1 4.42Å; R120-L273 HydrophobicContact CG-CD1 4.3Å; R120-L273 HydrophobicContact CG-CD2 4.01Å |
| 121 | Y | 87.2 | Confident | 88 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.1 | 170.2 | -116.4 | 0 | 0 | 0 | 111.8 | S117 V118 D119 I124 S125 T212 R215 I216 I219 | S117-Y121 PolarHBondContact O-N 3.27Å; V118-Y121 WeakPolarHBondContact O-CB 3.21Å; V118-Y121 PolarHBondContact O-N 2.72Å; D119-Y121 VanDerWaalsContact C-N 3.34Å; D119-Y121 PolarHBondContact O-N 2.93Å; Y121-I124 PolarHBondContact O-N 2.84Å; Y121-S125 WeakPolarHBondContact O-CB 3.46Å; Y121-S125 PolarHBondContact O-N 3.47Å; Y121-S125 PolarHBondContact O-OG 3.28Å; Y121-T212 HydrophobicContact CD1-CG2 4.18Å; Y121-T212 HydrophobicContact CG-CG2 4.29Å; Y121-R215 HydrophobicContact CD2-CB 4.15Å; Y121-R215 HydrophobicContact CE2-CB 3.59Å; Y121-I216 HydrophobicContact CD2-CG1 3.79Å; Y121-I216 HydrophobicContact CG-CG1 4.35Å; Y121-I219 HydrophobicContact CE2-CD1 3.88Å |
| 122 | W | 89.7 | Confident | 87.8 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 179.3 | -165.7 | -3.3 | 0 | 0 | 0 | 111.6 | V118 D119 R120 I124 S125 S126 Y130 K133 | V118-W122 PolarHBondContact O-N 2.65Å; D119-W122 PolarHBondContact O-N 3.17Å; R120-W122 VanDerWaalsContact C-N 3.34Å; R120-W122 PolarHBondContact O-N 3.38Å; W122-I124 VanDerWaalsContact C-N 3.32Å; W122-I124 PolarHBondContact O-N 3.28Å; W122-S125 PolarHBondContact O-N 3.45Å; W122-S125 PolarHBondContact O-OG 2.87Å; W122-S126 PolarHBondContact O-N 3.34Å; W122-Y130 HydrophobicContact CB-CD2 4.04Å; W122-Y130 HydrophobicContact CD2-CD2 4.31Å; W122-Y130 AromaticContact CG-CD2 3.97Å; W122-Y130 HydrophobicContact CG-CD2 3.97Å; W122-K133 HydrophobicContact CH2-CB 4.11Å; W122-K133 HydrophobicContact CH2-CD 4.21Å; W122-K133 HydrophobicContact CZ2-CB 3.93Å; W122-K133 HydrophobicContact CZ2-CD 3.78Å; W122-K133 HydrophobicContact CZ2-CG 4.46Å |
| 123 | A | 85.9 | Confident | 87.5 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D119 R120 P127 Y130 | D119-A123 WeakPolarHBondContact O-CB 3.32Å; D119-A123 PolarHBondContact O-N 3.13Å; R120-A123 PolarHBondContact O-N 2.87Å; A123-P127 WeakPolarHBondContact O-CA 3.25Å; A123-Y130 HydrophobicContact CB-CD1 3.88Å; A123-Y130 HydrophobicContact CB-CD2 3.89Å; A123-Y130 HydrophobicContact CB-CE1 3.89Å; A123-Y130 HydrophobicContact CB-CE2 3.87Å; A123-Y130 HydrophobicContact CB-CG 3.88Å |
| 124 | I | 83.1 | Confident | 87.5 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 22% | 0.221 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.3 | -39.3 | -177.8 | -64.6 | 166.9 | 0 | 0 | 0 | 111.7 | R120 Y121 W122 I216 I219 L270 L273 | R120-I124 WeakPolarHBondContact O-CB 3.32Å; R120-I124 WeakPolarHBondContact O-CD1 3.25Å; R120-I124 VanDerWaalsContact O-CG1 3.29Å; R120-I124 WeakPolarHBondContact O-CG1 3.35Å; R120-I124 PolarHBondContact O-N 3.33Å; Y121-I124 PolarHBondContact O-N 2.84Å; W122-I124 VanDerWaalsContact C-N 3.32Å; W122-I124 PolarHBondContact O-N 3.28Å; I124-I216 HydrophobicContact CD1-CD1 4.39Å; I124-I216 HydrophobicContact CD1-CG1 4.38Å; I124-I216 HydrophobicContact CD1-CG2 3.68Å; I124-I216 HydrophobicContact CG2-CG2 4.45Å; I124-I219 HydrophobicContact CG2-CG2 4.41Å; I124-L270 HydrophobicContact CD1-CD2 4.01Å; I124-L273 HydrophobicContact CD1-CD1 4.42Å |
| 125 | S | 82.8 | Confident | 87.5 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 25% | 0.245 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -77.1 | -25.1 | -176.6 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | Y121 W122 | Y121-S125 WeakPolarHBondContact O-CB 3.46Å; Y121-S125 PolarHBondContact O-N 3.47Å; Y121-S125 PolarHBondContact O-OG 3.28Å; W122-S125 PolarHBondContact O-N 3.45Å; W122-S125 PolarHBondContact O-OG 2.87Å |
| 126 | S | 84.4 | Confident | 87.4 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | trans | -152.3 | 73.2 | -176.4 | -69.7 | 0 | 0 | 0 | 0 | 112 | W122 F128 R129 Y130 | W122-S126 PolarHBondContact O-N 3.34Å; S126-F128 PolarHBondContact O-N 3.17Å; S126-R129 PolarHBondContact O-N 3.47Å; S126-Y130 VanDerWaalsContact O-CB 3.3Å; S126-Y130 WeakPolarHBondContact O-CB 3.42Å; S126-Y130 PolarHBondContact O-N 3.2Å | ||
| 127 | P | 82.8 | Confident | 87.5 | Confident | 68 Ų | 68 | 76.1 Ų | 76.1 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.9 | -49 | -171.6 | 20.8 | -32.8 | 0 | 0 | 0 | 113.6 | A123 R129 Y130 E131 | A123-P127 WeakPolarHBondContact O-CA 3.25Å; P127-R129 PolarHBondContact O-N 3.43Å; P127-Y130 WeakPolarHBondContact O-CB 3.31Å; P127-Y130 PolarHBondContact O-N 3.4Å; P127-E131 PolarHBondContact O-N 2.96Å |
| 128 | F | 84.9 | Confident | 87.8 | Confident | 175 Ų | 175 | 77.5 Ų | 77.5 | 77% | 0.768 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.2 | -33.8 | -179.2 | -58.3 | -63.8 | 0 | 0 | 0 | 113.5 | S126 | S126-F128 PolarHBondContact O-N 3.17Å |
| 129 | R | 86.6 | Confident | 87.9 | Confident | 141 Ų | 141 | 74.8 Ų | 74.8 | 53% | 0.532 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -75 | -34.4 | 176.6 | -62.3 | -179 | 73.8 | -178.4 | 6.3 | 110.9 | S126 P127 K133 | S126-R129 PolarHBondContact O-N 3.47Å; P127-R129 PolarHBondContact O-N 3.43Å; R129-K133 WeakPolarHBondContact O-CB 3.41Å; R129-K133 PolarHBondContact O-N 3.35Å |
| 130 | Y | 88.4 | Confident | 88.1 | Confident | 26 Ų | 26 | 81.5 Ų | 81.5 | 10% | 0.102 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.7 | -51.2 | 177.3 | 177.8 | -94.5 | 0 | 0 | 0 | 111.1 | T58 D119 R120 W122 A123 S126 P127 R132 K133 M134 | T58-Y130 WeakPolarHBondContact CG2-OH 3.42Å; D119-Y130 WeakPolarHBondContact OD1-CE2 3.33Å; D119-Y130 VanDerWaalsContact OD1-CZ 3.27Å; D119-Y130 PolarHBondContact OD1-OH 2.96Å; R120-Y130 PolarHBondContact NH2-OH 3.27Å; R120-Y130 VanDerWaalsContact NH2-OH 3.1Å; W122-Y130 HydrophobicContact CB-CD2 4.04Å; W122-Y130 HydrophobicContact CD2-CD2 4.31Å; W122-Y130 AromaticContact CG-CD2 3.97Å; W122-Y130 HydrophobicContact CG-CD2 3.97Å; A123-Y130 HydrophobicContact CB-CD1 3.88Å; A123-Y130 HydrophobicContact CB-CD2 3.89Å; A123-Y130 HydrophobicContact CB-CE1 3.89Å; A123-Y130 HydrophobicContact CB-CE2 3.87Å; A123-Y130 HydrophobicContact CB-CG 3.88Å; S126-Y130 VanDerWaalsContact O-CB 3.3Å; S126-Y130 WeakPolarHBondContact O-CB 3.42Å; S126-Y130 PolarHBondContact O-N 3.2Å; P127-Y130 WeakPolarHBondContact O-CB 3.31Å; P127-Y130 PolarHBondContact O-N 3.4Å; Y130-R132 PolarHBondContact O-N 3.21Å; Y130-K133 PolarHBondContact O-N 3.32Å; Y130-M134 HydrophobicContact CD1-CB 4.42Å; Y130-M134 HydrophobicContact CD2-CB 3.94Å; Y130-M134 HydrophobicContact CD2-CG 4.48Å; Y130-M134 HydrophobicContact CE1-CB 4.18Å; Y130-M134 HydrophobicContact CE1-CG 4.4Å; Y130-M134 HydrophobicContact CE2-CB 3.68Å; Y130-M134 HydrophobicContact CE2-CE 4.03Å; Y130-M134 HydrophobicContact CE2-CG 3.73Å; Y130-M134 HydrophobicContact CG-CB 4.31Å; Y130-M134 VanDerWaalsContact O-CB 3.29Å; Y130-M134 WeakPolarHBondContact O-CB 3.49Å; Y130-M134 PolarHBondContact O-N 3.25Å |
| 131 | E | 85.8 | Confident | 88.5 | Confident | 161 Ų | 161 | 83.8 Ų | 83.8 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.6 | -35.1 | 179.1 | -72.6 | -171.3 | 165.6 | 0 | 0 | 112.9 | P127 | P127-E131 PolarHBondContact O-N 2.96Å |
| 132 | R | 87.1 | Confident | 88.8 | Confident | 194 Ų | 194 | 84.2 Ų | 84.2 | 73% | 0.732 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -77.8 | -33.6 | 178.6 | -170 | 173 | 66.3 | -173.3 | 2.5 | 113.8 | Y130 | Y130-R132 PolarHBondContact O-N 3.21Å |
| 133 | K | 87.1 | Confident | 89.1 | Confident | 111 Ų | 111 | 81.1 Ų | 81.1 | 48% | 0.483 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -98.5 | -32 | -173.3 | -76.3 | -165.5 | 163.6 | -160.4 | 0 | 114.1 | W122 R129 Y130 T135 | W122-K133 HydrophobicContact CH2-CB 4.11Å; W122-K133 HydrophobicContact CH2-CD 4.21Å; W122-K133 HydrophobicContact CZ2-CB 3.93Å; W122-K133 HydrophobicContact CZ2-CD 3.78Å; W122-K133 HydrophobicContact CZ2-CG 4.46Å; R129-K133 WeakPolarHBondContact O-CB 3.41Å; R129-K133 PolarHBondContact O-N 3.35Å; Y130-K133 PolarHBondContact O-N 3.32Å; K133-T135 PolarHBondContact O-N 3.16Å |
| 134 | M | 90.3 | Very high | 89.6 | Confident | 13 Ų | 13 | 82.3 Ų | 82.3 | 6% | 0.064 | 40% | 0.401 | C | S | . | . | trans | -80.6 | 86.8 | -177.2 | -171.2 | 55.8 | 107.7 | 0 | 0 | 110.3 | V57 F61 D119 Y130 A138 L142 | V57-M134 HydrophobicContact CG1-CG 3.97Å; V57-M134 HydrophobicContact CG1-SD 4.39Å; F61-M134 HydrophobicContact CE2-CE 3.81Å; F61-M134 HydrophobicContact CZ-CE 3.75Å; F61-M134 HydrophobicContact CZ-SD 4.42Å; D119-M134 HydrophobicContact CB-CE 4.19Å; D119-M134 WeakPolarHBondContact OD1-CE 3.47Å; Y130-M134 HydrophobicContact CD1-CB 4.42Å; Y130-M134 HydrophobicContact CD2-CB 3.94Å; Y130-M134 HydrophobicContact CD2-CG 4.48Å; Y130-M134 HydrophobicContact CE1-CB 4.18Å; Y130-M134 HydrophobicContact CE1-CG 4.4Å; Y130-M134 HydrophobicContact CE2-CB 3.68Å; Y130-M134 HydrophobicContact CE2-CE 4.03Å; Y130-M134 HydrophobicContact CE2-CG 3.73Å; Y130-M134 HydrophobicContact CG-CB 4.31Å; Y130-M134 VanDerWaalsContact O-CB 3.29Å; Y130-M134 WeakPolarHBondContact O-CB 3.49Å; Y130-M134 PolarHBondContact O-N 3.25Å; M134-A138 HydrophobicContact SD-CB 4.32Å; M134-L142 HydrophobicContact CE-CD1 4.06Å | ||
| 135 | T | 92.4 | Very high | 90.2 | Very high | 62 Ų | 62 | 83.6 Ų | 83.6 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | trans | -97.4 | 161.2 | 176.5 | 64.7 | 0 | 0 | 0 | 0 | 111 | K133 K137 A138 A139 | K133-T135 PolarHBondContact O-N 3.16Å; T135-K137 PolarHBondContact O-N 3Å; T135-A138 WeakPolarHBondContact O-CB 3.31Å; T135-A138 PolarHBondContact O-N 3.46Å; T135-A138 PolarHBondContact OG1-N 3.08Å; T135-A139 PolarHBondContact O-N 3.43Å | ||
| 136 | P | 90.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 82.1 Ų | 82.1 | 51% | 0.506 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54.8 | -34.4 | 172.9 | -26.3 | 34.5 | 0 | 0 | 0 | 113.4 | V57 F60 A139 F140 | V57-P136 HydrophobicContact CG2-CG 4.25Å; F60-P136 HydrophobicContact CE2-CB 4.49Å; P136-A139 PolarHBondContact O-N 3.03Å; P136-F140 WeakPolarHBondContact O-CB 3.22Å; P136-F140 PolarHBondContact O-N 3.37Å |
| 137 | K | 92.7 | Very high | 91.3 | Very high | 170 Ų | 170 | 83 Ų | 83 | 74% | 0.739 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.4 | -45.3 | 175.4 | -65.4 | -175.6 | 179.6 | -179.7 | 0 | 111.6 | T135 A139 F140 I141 | T135-K137 PolarHBondContact O-N 3Å; K137-A139 VanDerWaalsContact C-N 3.34Å; K137-A139 PolarHBondContact O-N 3.36Å; K137-F140 PolarHBondContact O-N 3.04Å; K137-I141 WeakPolarHBondContact O-CG1 3.48Å; K137-I141 PolarHBondContact O-N 3.39Å |
| 138 | A | 93 | Very high | 91.9 | Very high | 30 Ų | 30 | 83.3 Ų | 83.3 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M134 T135 I141 L142 | M134-A138 HydrophobicContact SD-CB 4.32Å; T135-A138 WeakPolarHBondContact O-CB 3.31Å; T135-A138 PolarHBondContact O-N 3.46Å; T135-A138 PolarHBondContact OG1-N 3.08Å; A138-I141 PolarHBondContact O-N 2.94Å; A138-L142 WeakPolarHBondContact O-CG 3.46Å; A138-L142 PolarHBondContact O-N 2.92Å |
| 139 | A | 93.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V57 F61 T135 P136 K137 I141 L142 I143 | V57-A139 HydrophobicContact CG1-CB 3.6Å; F61-A139 HydrophobicContact CE1-CB 4.04Å; F61-A139 HydrophobicContact CE2-CB 4.28Å; F61-A139 HydrophobicContact CZ-CB 3.65Å; T135-A139 PolarHBondContact O-N 3.43Å; P136-A139 PolarHBondContact O-N 3.03Å; K137-A139 VanDerWaalsContact C-N 3.34Å; K137-A139 PolarHBondContact O-N 3.36Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 3.39Å; A139-L142 PolarHBondContact O-N 3.02Å; A139-I143 VanDerWaalsContact O-CG1 3.31Å; A139-I143 WeakPolarHBondContact O-CG1 3.33Å; A139-I143 PolarHBondContact O-N 3.34Å |
| 140 | F | 94.4 | Very high | 92.6 | Very high | 144 Ų | 144 | 71.9 Ų | 71.9 | 63% | 0.632 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62 | -39.4 | 176.4 | -174.1 | -95.5 | 0 | 0 | 0 | 112.6 | P136 K137 I143 S144 | P136-F140 WeakPolarHBondContact O-CB 3.22Å; P136-F140 PolarHBondContact O-N 3.37Å; K137-F140 PolarHBondContact O-N 3.04Å; F140-I143 PolarHBondContact O-N 3.15Å; F140-S144 WeakPolarHBondContact CE1-OG 3.3Å; F140-S144 WeakPolarHBondContact O-CB 3.46Å; F140-S144 PolarHBondContact O-N 3.02Å; F140-S144 PolarHBondContact O-OG 3.45Å |
| 141 | I | 95.2 | Very high | 92.8 | Very high | 105 Ų | 105 | 73.4 Ų | 73.4 | 54% | 0.538 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 174.7 | -68.1 | 165.4 | 0 | 0 | 0 | 110.5 | K137 A138 A139 I143 S144 V145 | K137-I141 WeakPolarHBondContact O-CG1 3.48Å; K137-I141 PolarHBondContact O-N 3.39Å; A138-I141 PolarHBondContact O-N 2.94Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 3.39Å; I141-I143 VanDerWaalsContact C-N 3.33Å; I141-I143 PolarHBondContact O-N 2.9Å; I141-S144 PolarHBondContact O-N 3.35Å; I141-V145 HydrophobicContact CG2-CG2 4.43Å; I141-V145 WeakPolarHBondContact O-CG2 3.3Å; I141-V145 PolarHBondContact O-N 3.01Å |
| 142 | L | 94.1 | Very high | 92.9 | Very high | 68 Ų | 68 | 70 Ų | 70 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 179.2 | -72.4 | 172.5 | 0 | 0 | 0 | 112.3 | F61 V115 M134 A138 A139 V145 A146 | F61-L142 HydrophobicContact CE1-CB 4Å; F61-L142 HydrophobicContact CE1-CD1 4.27Å; F61-L142 HydrophobicContact CZ-CD1 4.01Å; V115-L142 HydrophobicContact CG1-CB 4.12Å; V115-L142 HydrophobicContact CG1-CD1 4.44Å; M134-L142 HydrophobicContact CE-CD1 4.06Å; A138-L142 WeakPolarHBondContact O-CG 3.46Å; A138-L142 PolarHBondContact O-N 2.92Å; A139-L142 PolarHBondContact O-N 3.02Å; L142-V145 PolarHBondContact O-N 3.19Å; L142-A146 PolarHBondContact O-N 3.33Å; L142-A146 VanDerWaalsContact O-N 3.08Å |
| 143 | I | 96.4 | Very high | 92.8 | Very high | 24 Ų | 24 | 62 Ų | 62 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.2 | -50.8 | 174.2 | -70.9 | 166 | 0 | 0 | 0 | 109.7 | F60 F61 S64 A139 F140 I141 V145 A146 W147 | F60-I143 HydrophobicContact CB-CD1 4.16Å; F61-I143 HydrophobicContact CD1-CD1 3.98Å; F61-I143 HydrophobicContact CD1-CG1 3.7Å; F61-I143 HydrophobicContact CE1-CD1 4.3Å; F61-I143 HydrophobicContact CE1-CG1 3.96Å; S64-I143 WeakPolarHBondContact OG-CG2 3.31Å; A139-I143 VanDerWaalsContact O-CG1 3.31Å; A139-I143 WeakPolarHBondContact O-CG1 3.33Å; A139-I143 PolarHBondContact O-N 3.34Å; F140-I143 PolarHBondContact O-N 3.15Å; I141-I143 VanDerWaalsContact C-N 3.33Å; I141-I143 PolarHBondContact O-N 2.9Å; I143-V145 VanDerWaalsContact C-N 3.29Å; I143-V145 PolarHBondContact O-N 2.82Å; I143-A146 WeakPolarHBondContact O-CB 3.4Å; I143-A146 PolarHBondContact O-N 3.38Å; I143-W147 VanDerWaalsContact CG2-CD1 3.5Å; I143-W147 PolarHBondContact O-N 2.87Å |
| 144 | S | 96.2 | Very high | 92.7 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 30% | 0.301 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | -179.3 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | F140 I141 W147 T148 | F140-S144 WeakPolarHBondContact CE1-OG 3.3Å; F140-S144 WeakPolarHBondContact O-CB 3.46Å; F140-S144 PolarHBondContact O-N 3.02Å; F140-S144 PolarHBondContact O-OG 3.45Å; I141-S144 PolarHBondContact O-N 3.35Å; S144-W147 PolarHBondContact O-N 3.47Å; S144-T148 WeakPolarHBondContact O-CB 2.88Å; S144-T148 VanDerWaalsContact O-CG2 3.25Å; S144-T148 WeakPolarHBondContact O-CG2 3.21Å; S144-T148 PolarHBondContact O-N 2.87Å; S144-T148 PolarHBondContact O-OG1 2.82Å |
| 145 | V | 95 | Very high | 92.4 | Very high | 70 Ų | 70 | 59 Ų | 59 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 174.3 | 171 | 0 | 0 | 0 | 0 | 111.1 | I141 L142 I143 T148 L149 | I141-V145 HydrophobicContact CG2-CG2 4.43Å; I141-V145 WeakPolarHBondContact O-CG2 3.3Å; I141-V145 PolarHBondContact O-N 3.01Å; L142-V145 PolarHBondContact O-N 3.19Å; I143-V145 VanDerWaalsContact C-N 3.29Å; I143-V145 PolarHBondContact O-N 2.82Å; V145-T148 WeakPolarHBondContact CA-OG1 3.35Å; V145-T148 PolarHBondContact O-OG1 3.49Å; V145-L149 HydrophobicContact CG1-CD1 3.81Å; V145-L149 HydrophobicContact CG1-CG 4.34Å; V145-L149 WeakPolarHBondContact O-CB 3.5Å; V145-L149 VanDerWaalsContact O-CG 3.24Å; V145-L149 WeakPolarHBondContact O-CG 3.28Å; V145-L149 PolarHBondContact O-N 2.69Å |
| 146 | A | 94.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L111 V115 L142 I143 L149 S150 | L111-A146 HydrophobicContact CB-CB 3.96Å; L111-A146 WeakPolarHBondContact CD1-O 3.36Å; V115-A146 HydrophobicContact CG2-CB 4.46Å; L142-A146 PolarHBondContact O-N 3.33Å; L142-A146 VanDerWaalsContact O-N 3.08Å; I143-A146 WeakPolarHBondContact O-CB 3.4Å; I143-A146 PolarHBondContact O-N 3.38Å; A146-L149 PolarHBondContact O-N 3.21Å; A146-S150 PolarHBondContact O-N 3.34Å; A146-S150 PolarHBondContact O-OG 2.86Å; A146-S150 VanDerWaalsContact O-OG 3.05Å |
| 147 | W | 96.8 | Very high | 91.1 | Very high | 54 Ų | 54 | 57 Ų | 57 | 21% | 0.205 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 179.6 | -76.8 | 94.8 | 0 | 0 | 0 | 112.9 | S64 V67 L71 A108 I143 S144 S150 V151 | S64-W147 PolarHBondContact OG-NE1 2.74Å; V67-W147 HydrophobicContact CG1-CH2 4.14Å; V67-W147 HydrophobicContact CG1-CZ2 4.14Å; L71-W147 HydrophobicContact CD1-CH2 3.65Å; L71-W147 HydrophobicContact CD1-CZ3 3.73Å; A108-W147 HydrophobicContact CB-CE3 4.28Å; A108-W147 HydrophobicContact CB-CZ3 4.27Å; I143-W147 VanDerWaalsContact CG2-CD1 3.5Å; I143-W147 PolarHBondContact O-N 2.87Å; S144-W147 PolarHBondContact O-N 3.47Å; W147-S150 PolarHBondContact O-N 3.32Å; W147-V151 WeakPolarHBondContact O-CG2 3.23Å; W147-V151 PolarHBondContact O-N 3.15Å |
| 148 | T | 94.8 | Very high | 90.1 | Very high | 75 Ų | 75 | 49.2 Ų | 49.2 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 178.3 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | S144 V145 S150 V151 L152 | S144-T148 WeakPolarHBondContact O-CB 2.88Å; S144-T148 VanDerWaalsContact O-CG2 3.25Å; S144-T148 WeakPolarHBondContact O-CG2 3.21Å; S144-T148 PolarHBondContact O-N 2.87Å; S144-T148 PolarHBondContact O-OG1 2.82Å; V145-T148 WeakPolarHBondContact CA-OG1 3.35Å; V145-T148 PolarHBondContact O-OG1 3.49Å; T148-S150 VanDerWaalsContact C-N 3.35Å; T148-S150 PolarHBondContact O-N 3.49Å; T148-V151 PolarHBondContact O-N 3.02Å; T148-L152 WeakPolarHBondContact O-CB 3.44Å; T148-L152 WeakPolarHBondContact O-CG 3.08Å; T148-L152 PolarHBondContact O-N 3.42Å |
| 149 | L | 92.1 | Very high | 89.1 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 40% | 0.398 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 174.1 | -72.4 | 173.1 | 0 | 0 | 0 | 111.7 | L111 V145 A146 V151 L152 I153 | L111-L149 HydrophobicContact CD1-CB 3.87Å; V145-L149 HydrophobicContact CG1-CD1 3.81Å; V145-L149 HydrophobicContact CG1-CG 4.34Å; V145-L149 WeakPolarHBondContact O-CB 3.5Å; V145-L149 VanDerWaalsContact O-CG 3.24Å; V145-L149 WeakPolarHBondContact O-CG 3.28Å; V145-L149 PolarHBondContact O-N 2.69Å; A146-L149 PolarHBondContact O-N 3.21Å; L149-V151 PolarHBondContact O-N 3.47Å; L149-L152 PolarHBondContact O-N 3.48Å; L149-I153 HydrophobicContact CB-CD1 4.46Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 VanDerWaalsContact O-CD1 3.32Å; L149-I153 WeakPolarHBondContact O-CD1 3.47Å; L149-I153 WeakPolarHBondContact O-CG1 3.25Å; L149-I153 PolarHBondContact O-N 3.14Å |
| 150 | S | 93.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.1 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | A108 A146 W147 T148 S154 | A108-S150 WeakPolarHBondContact CA-OG 3.47Å; A108-S150 PolarHBondContact N-OG 3.46Å; A146-S150 PolarHBondContact O-N 3.34Å; A146-S150 PolarHBondContact O-OG 2.86Å; A146-S150 VanDerWaalsContact O-OG 3.05Å; W147-S150 PolarHBondContact O-N 3.32Å; T148-S150 VanDerWaalsContact C-N 3.35Å; T148-S150 PolarHBondContact O-N 3.49Å; S150-S154 WeakPolarHBondContact O-CB 3.13Å; S150-S154 PolarHBondContact O-N 3.21Å; S150-S154 VanDerWaalsContact O-N 3.14Å; S150-S154 PolarHBondContact O-OG 3.38Å |
| 151 | V | 92.3 | Very high | 86.6 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | M104 W147 T148 L149 S154 F155 | M104-V151 HydrophobicContact CG-CG2 4.15Å; M104-V151 HydrophobicContact SD-CG2 3.74Å; W147-V151 WeakPolarHBondContact O-CG2 3.23Å; W147-V151 PolarHBondContact O-N 3.15Å; T148-V151 PolarHBondContact O-N 3.02Å; L149-V151 PolarHBondContact O-N 3.47Å; V151-S154 WeakPolarHBondContact CA-OG 3.42Å; V151-S154 PolarHBondContact O-N 2.99Å; V151-S154 PolarHBondContact O-OG 3.3Å; V151-S154 VanDerWaalsContact O-OG 3.08Å; V151-F155 HydrophobicContact CG1-CD2 4.05Å; V151-F155 WeakPolarHBondContact O-CB 3.31Å; V151-F155 PolarHBondContact O-N 2.87Å |
| 152 | L | 89.3 | Confident | 85.1 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 47% | 0.466 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | -179.6 | -68.2 | 169.2 | 0 | 0 | 0 | 111.7 | T148 L149 S154 I156 | T148-L152 WeakPolarHBondContact O-CB 3.44Å; T148-L152 WeakPolarHBondContact O-CG 3.08Å; T148-L152 PolarHBondContact O-N 3.42Å; L149-L152 PolarHBondContact O-N 3.48Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.31Å; L152-I156 HydrophobicContact CB-CD1 4.06Å; L152-I156 HydrophobicContact CD2-CD1 3.57Å; L152-I156 HydrophobicContact CD2-CG1 4.42Å; L152-I156 HydrophobicContact CG-CD1 4.42Å; L152-I156 VanDerWaalsContact O-CB 3.28Å; L152-I156 WeakPolarHBondContact O-CB 3.49Å; L152-I156 WeakPolarHBondContact O-CG1 3.46Å; L152-I156 PolarHBondContact O-N 2.86Å |
| 153 | I | 83.7 | Confident | 83.5 | Confident | 26 Ų | 26 | 56.7 Ų | 56.7 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.9 | -28.9 | -179.1 | -64.1 | 158.9 | 0 | 0 | 0 | 112 | T107 L149 P157 I200 S201 | T107-I153 HydrophobicContact CG2-CD1 4.31Å; L149-I153 HydrophobicContact CB-CD1 4.46Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 VanDerWaalsContact O-CD1 3.32Å; L149-I153 WeakPolarHBondContact O-CD1 3.47Å; L149-I153 WeakPolarHBondContact O-CG1 3.25Å; L149-I153 PolarHBondContact O-N 3.14Å; I153-P157 VanDerWaalsContact O-CD 3.25Å; I153-P157 WeakPolarHBondContact O-CD 3.45Å; I153-P157 VanDerWaalsContact O-CG 3.32Å; I153-P157 WeakPolarHBondContact O-CG 3.45Å; I153-I200 HydrophobicContact CD1-CB 4.42Å; I153-I200 HydrophobicContact CD1-CG2 3.4Å; I153-I200 HydrophobicContact CG1-CG2 4.08Å; I153-S201 WeakPolarHBondContact CG2-OG 3.47Å |
| 154 | S | 85.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -89.5 | -56.6 | -178.7 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | A100 M104 S150 V151 L152 P157 V158 | A100-S154 WeakPolarHBondContact O-CB 3.29Å; M104-S154 VanDerWaalsContact CB-OG 3.28Å; M104-S154 WeakPolarHBondContact CB-OG 3.4Å; S150-S154 WeakPolarHBondContact O-CB 3.13Å; S150-S154 PolarHBondContact O-N 3.21Å; S150-S154 VanDerWaalsContact O-N 3.14Å; S150-S154 PolarHBondContact O-OG 3.38Å; V151-S154 WeakPolarHBondContact CA-OG 3.42Å; V151-S154 PolarHBondContact O-N 2.99Å; V151-S154 PolarHBondContact O-OG 3.3Å; V151-S154 VanDerWaalsContact O-OG 3.08Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.31Å; S154-P157 WeakPolarHBondContact O-CD 3.43Å; S154-V158 VanDerWaalsContact O-CG2 3.28Å; S154-V158 WeakPolarHBondContact O-CG2 3.29Å |
| 155 | F | 84.3 | Confident | 79.7 | Confident | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -76.6 | -36.1 | -171.1 | -80.4 | -96.8 | 0 | 0 | 0 | 113.2 | A100 F101 M104 V151 V158 Q159 | A100-F155 HydrophobicContact CB-CD1 4.38Å; A100-F155 HydrophobicContact CB-CE1 4.23Å; A100-F155 HydrophobicContact CB-CE2 4.45Å; A100-F155 HydrophobicContact CB-CZ 4.26Å; F101-F155 HydrophobicContact CD1-CZ 4.24Å; F101-F155 AromaticContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CE1-CZ 3.97Å; F101-F155 HydrophobicContact CZ-CZ 4.37Å; M104-F155 HydrophobicContact CB-CE2 4.28Å; M104-F155 HydrophobicContact CG-CE2 4.33Å; M104-F155 HydrophobicContact SD-CD2 4.44Å; M104-F155 HydrophobicContact SD-CE2 3.67Å; V151-F155 HydrophobicContact CG1-CD2 4.05Å; V151-F155 WeakPolarHBondContact O-CB 3.31Å; V151-F155 PolarHBondContact O-N 2.87Å; F155-V158 PolarHBondContact O-N 3.49Å; F155-Q159 VanDerWaalsContact O-CB 3.31Å; F155-Q159 WeakPolarHBondContact O-CB 3.4Å; F155-Q159 WeakPolarHBondContact O-CG 3.45Å; F155-Q159 PolarHBondContact O-N 3.46Å |
| 156 | I | 82.4 | Confident | 77.2 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.3 | -51.4 | -178.3 | -64.2 | 173.9 | 0 | 0 | 0 | 111.1 | L152 V158 Q159 L160 | L152-I156 HydrophobicContact CB-CD1 4.06Å; L152-I156 HydrophobicContact CD2-CD1 3.57Å; L152-I156 HydrophobicContact CD2-CG1 4.42Å; L152-I156 HydrophobicContact CG-CD1 4.42Å; L152-I156 VanDerWaalsContact O-CB 3.28Å; L152-I156 WeakPolarHBondContact O-CB 3.49Å; L152-I156 WeakPolarHBondContact O-CG1 3.46Å; L152-I156 PolarHBondContact O-N 2.86Å; I156-V158 VanDerWaalsContact C-N 3.32Å; I156-V158 PolarHBondContact O-N 3.39Å; I156-Q159 PolarHBondContact O-N 2.98Å; I156-L160 HydrophobicContact CG2-CD1 3.69Å; I156-L160 HydrophobicContact CG2-CG 4.46Å; I156-L160 WeakPolarHBondContact O-CB 3.28Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.5Å; I156-L160 PolarHBondContact O-N 3.04Å; I156-L160 VanDerWaalsContact O-N 3.1Å |
| 157 | P | 74.3 | Confident | 74.7 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.104 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.1 | -31.3 | -176.6 | -24 | 40 | 0 | 0 | 0 | 113.1 | I153 S154 N161 W162 H163 Y193 | I153-P157 VanDerWaalsContact O-CD 3.25Å; I153-P157 WeakPolarHBondContact O-CD 3.45Å; I153-P157 VanDerWaalsContact O-CG 3.32Å; I153-P157 WeakPolarHBondContact O-CG 3.45Å; S154-P157 WeakPolarHBondContact O-CD 3.43Å; P157-N161 PolarHBondContact O-N 3.46Å; P157-W162 PolarHBondContact O-N 3.35Å; P157-H163 PolarHBondContact O-N 2.85Å; P157-Y193 HydrophobicContact CB-CD2 3.71Å; P157-Y193 HydrophobicContact CB-CE2 3.17Å; P157-Y193 HydrophobicContact CG-CD2 4.23Å; P157-Y193 HydrophobicContact CG-CE2 3.49Å; P157-Y193 VanDerWaalsContact CG-CE2 3.49Å |
| 158 | V | 70.9 | Confident | 71.7 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.03 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.4 | -45.1 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | N96 A100 S154 F155 I156 L160 N161 | N96-V158 HydrophobicContact CB-CG1 4.29Å; N96-V158 WeakPolarHBondContact O-CG1 3.21Å; A100-V158 HydrophobicContact CB-CB 4.23Å; A100-V158 HydrophobicContact CB-CG1 4.14Å; A100-V158 HydrophobicContact CB-CG2 4.09Å; S154-V158 VanDerWaalsContact O-CG2 3.28Å; S154-V158 WeakPolarHBondContact O-CG2 3.29Å; F155-V158 PolarHBondContact O-N 3.49Å; I156-V158 VanDerWaalsContact C-N 3.32Å; I156-V158 PolarHBondContact O-N 3.39Å; V158-L160 VanDerWaalsContact C-N 3.29Å; V158-L160 PolarHBondContact O-N 3.22Å; V158-N161 PolarHBondContact O-N 3.02Å |
| 159 | Q | 72.9 | Confident | 68.8 | Low | 143 Ų | 143 | 69.3 Ų | 69.3 | 67% | 0.668 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.4 | -29.9 | 179.7 | -66 | -69.7 | 79.5 | 0 | 0 | 112.3 | F155 I156 N161 | F155-Q159 VanDerWaalsContact O-CB 3.31Å; F155-Q159 WeakPolarHBondContact O-CB 3.4Å; F155-Q159 WeakPolarHBondContact O-CG 3.45Å; F155-Q159 PolarHBondContact O-N 3.46Å; I156-Q159 PolarHBondContact O-N 2.98Å; Q159-N161 PolarHBondContact O-N 3.11Å |
| 160 | L | 68.2 | Low | 66.1 | Low | 94 Ų | 94 | 75.4 Ų | 75.4 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.8 | 173.4 | -63.9 | 176.1 | 0 | 0 | 0 | 113.2 | I156 V158 W162 | I156-L160 HydrophobicContact CG2-CD1 3.69Å; I156-L160 HydrophobicContact CG2-CG 4.46Å; I156-L160 WeakPolarHBondContact O-CB 3.28Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.5Å; I156-L160 PolarHBondContact O-N 3.04Å; I156-L160 VanDerWaalsContact O-N 3.1Å; V158-L160 VanDerWaalsContact C-N 3.29Å; V158-L160 PolarHBondContact O-N 3.22Å; L160-W162 HydrophobicContact CB-CD2 4.35Å; L160-W162 HydrophobicContact CB-CG 4.14Å; L160-W162 HydrophobicContact CD1-CD2 4.43Å; L160-W162 HydrophobicContact CD1-CE3 4.44Å; L160-W162 PolarHBondContact O-N 3.3Å |
| 161 | N | 66.5 | Low | 63.6 | Low | 85 Ų | 85 | 82.1 Ų | 82.1 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 18 | -173.7 | -64.6 | -78.6 | 0 | 0 | 0 | 114.5 | P157 V158 Q159 H163 K164 | P157-N161 PolarHBondContact O-N 3.46Å; V158-N161 PolarHBondContact O-N 3.02Å; Q159-N161 PolarHBondContact O-N 3.11Å; N161-H163 PolarHBondContact O-N 3.01Å; N161-K164 PolarHBondContact O-N 3.39Å |
| 162 | W | 63.1 | Low | 60.9 | Low | 173 Ų | 173 | 86.6 Ų | 86.6 | 66% | 0.655 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16 | 178.3 | -80.5 | 3.1 | 0 | 0 | 0 | 113 | P157 L160 K164 | P157-W162 PolarHBondContact O-N 3.35Å; L160-W162 HydrophobicContact CB-CD2 4.35Å; L160-W162 HydrophobicContact CB-CG 4.14Å; L160-W162 HydrophobicContact CD1-CD2 4.43Å; L160-W162 HydrophobicContact CD1-CE3 4.44Å; L160-W162 PolarHBondContact O-N 3.3Å; W162-K164 VanDerWaalsContact C-N 3.32Å |
| 163 | H | 61.3 | Low | 58.6 | Low | 11 Ų | 11 | 89.9 Ų | 89.9 | 5% | 0.051 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.7 | 173 | 71.6 | -67.3 | 0 | 0 | 0 | 112 | N96 P157 N161 L189 N190 Y193 | N96-H163 PolarHBondContact OD1-NE2 2.98Å; N96-H163 VanDerWaalsContact OD1-NE2 3.16Å; P157-H163 PolarHBondContact O-N 2.85Å; N161-H163 PolarHBondContact O-N 3.01Å; H163-L189 HydrophobicContact CB-CD2 3.85Å; H163-L189 CarbonylContact O-C 3.52Å; H163-L189 WeakPolarHBondContact O-CA 3.15Å; H163-N190 PolarHBondContact O-N 3.43Å; H163-Y193 HydrophobicContact CB-CD1 3.83Å; H163-Y193 HydrophobicContact CB-CE1 3.76Å; H163-Y193 HydrophobicContact CB-CG 4.49Å |
| 164 | K | 59.2 | Low | 56.5 | Low | 99 Ų | 99 | 96 Ų | 96 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -75.6 | 129.5 | 179.8 | -66.3 | -178.5 | 178.3 | 177.4 | 0 | 110.5 | N161 W162 T166 | N161-K164 PolarHBondContact O-N 3.39Å; W162-K164 VanDerWaalsContact C-N 3.32Å; K164-T166 PolarHBondContact O-N 3.14Å; K164-T166 VanDerWaalsContact O-N 3.16Å |
| 165 | A | 54.1 | Low | 54 | Low | 38 Ų | 38 | 100.6 Ų | 100.6 | 31% | 0.314 | 54% | 0.537 | S | S | . | . | trans | -59.4 | 119.2 | 166 | 0 | 0 | 0 | 0 | 0 | 108.6 | T167 S188 | A165-T167 VanDerWaalsContact C-N 3.25Å; A165-T167 PolarHBondContact O-N 3.35Å; A165-S188 PolarHBondContact N-O 2.93Å | ||
| 166 | T | 42.6 | Very low | 51.8 | Low | 118 Ų | 118 | 103.2 Ų | 103.2 | 72% | 0.724 | 56% | 0.563 | S | S | * | * | trans | -68.9 | 90.4 | 171.8 | -50 | 0 | 0 | 0 | 0 | 107.6 | K164 T168 | K164-T166 PolarHBondContact O-N 3.14Å; K164-T166 VanDerWaalsContact O-N 3.16Å; T166-T168 PolarHBondContact O-N 3.48Å | ||
| 167 | T | 40.7 | Very low | 49.5 | Very low | 113 Ų | 113 | 106.4 Ų | 106.4 | 69% | 0.693 | 58% | 0.58 | S | S | * | * | trans | -68.3 | 91.4 | 159.6 | -47.8 | 0 | 0 | 0 | 0 | 105.4 | A165 S169 | A165-T167 VanDerWaalsContact C-N 3.25Å; A165-T167 PolarHBondContact O-N 3.35Å; T167-S169 PolarHBondContact O-N 3.25Å | ||
| 168 | T | 35.2 | Very low | 47.5 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 70% | 0.699 | 62% | 0.616 | S | S | * | * | trans | -69.4 | 70.6 | 162.3 | -32.7 | 0 | 0 | 0 | 0 | 106.5 | T166 F170 | T166-T168 PolarHBondContact O-N 3.48Å; T168-F170 PolarHBondContact O-N 3.26Å | ||
| 169 | S | 33.8 | Very low | 45.3 | Very low | 52 Ų | 52 | 121.3 Ų | 121.3 | 36% | 0.364 | 65% | 0.653 | S | S | . | * | trans | -67.2 | 105.3 | 170 | 35.1 | 0 | 0 | 0 | 0 | 106.7 | T167 L171 | T167-S169 PolarHBondContact O-N 3.25Å; S169-L171 PolarHBondContact O-N 3.46Å | ||
| 170 | F | 34.7 | Very low | 43.5 | Very low | 204 Ų | 204 | 122.1 Ų | 122.1 | 90% | 0.895 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 28.4 | 162.4 | -116.8 | -105.3 | 0 | 0 | 0 | 112.4 | T168 | T168-F170 PolarHBondContact O-N 3.26Š|
| 171 | L | 40.5 | Very low | 42 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 13.6 | -173.8 | -78.1 | 175.7 | 0 | 0 | 0 | 113 | S169 L173 | S169-L171 PolarHBondContact O-N 3.46Å; L171-L173 PolarHBondContact O-N 2.98Å; L171-L173 VanDerWaalsContact O-N 3.08Å |
| 172 | D | 35.8 | Very low | 40.7 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 12.5 | 172.6 | -82 | -7.8 | 0 | 0 | 0 | 114.1 | ||
| 173 | L | 41.6 | Very low | 40 | Very low | 158 Ų | 158 | 121.3 Ų | 121.3 | 83% | 0.827 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -11 | 177 | -146.8 | 77.3 | 0 | 0 | 0 | 115.1 | L171 | L171-L173 PolarHBondContact O-N 2.98Å; L171-L173 VanDerWaalsContact O-N 3.08Å |
| 174 | N | 40.2 | Very low | 39.8 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -152.6 | 61.9 | -172.3 | -85.2 | -30.4 | 0 | 0 | 0 | 115.1 | ||
| 175 | A | 32.9 | Very low | 40.1 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | -137.9 | 68.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L177 | A175-L177 PolarHBondContact O-N 3.06Š| ||
| 176 | S | 37.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 68% | 0.679 | S | S | * | * | trans | -87.9 | 70.4 | 160.1 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 177 | L | 34.3 | Very low | 40.6 | Very low | 150 Ų | 150 | 119.1 Ų | 119.1 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -176.1 | 111.9 | 155.2 | -139.5 | 70.8 | 0 | 0 | 0 | 110.4 | A175 D179 | A175-L177 PolarHBondContact O-N 3.06Å; L177-D179 PolarHBondContact O-N 2.9Å |
| 178 | Q | 31.3 | Very low | 41.1 | Very low | 183 Ų | 183 | 117.8 Ų | 117.8 | 86% | 0.855 | 66% | 0.656 | S | S | * | * | trans | 41.2 | 74.3 | 134.7 | -158.2 | 163.3 | -1.4 | 0 | 0 | 117.6 | ||||
| 179 | D | 26.1 | Very low | 42.3 | Very low | 150 Ų | 150 | 113.5 Ų | 113.5 | 80% | 0.802 | 63% | 0.629 | S | S | * | * | trans | -139.8 | 97.8 | 145 | -152.5 | 7.8 | 0 | 0 | 0 | 107 | L177 S181 | L177-D179 PolarHBondContact O-N 2.9Å; D179-S181 PolarHBondContact O-N 3.14Å | ||
| 180 | I | 34.4 | Very low | 43.9 | Very low | 160 Ų | 160 | 113.4 Ų | 113.4 | 82% | 0.821 | 62% | 0.624 | S | S | * | * | trans | -68.5 | 95.2 | 167.9 | -64 | 169.4 | 0 | 0 | 0 | 103.2 | M182 | I180-M182 PolarHBondContact O-N 3.04Š| ||
| 181 | S | 36.3 | Very low | 45.6 | Very low | 74 Ų | 74 | 108.1 Ų | 108.1 | 52% | 0.517 | 60% | 0.598 | S | S | . | * | trans | -49.9 | 113 | 170 | 53.2 | 0 | 0 | 0 | 0 | 106.7 | D179 D183 | D179-S181 PolarHBondContact O-N 3.14Å; S181-D183 PolarHBondContact O-N 2.89Å; S181-D183 PolarHBondContact OG-OD1 3.42Å | ||
| 182 | M | 39.5 | Very low | 47.1 | Very low | 143 Ų | 143 | 108.3 Ų | 108.3 | 70% | 0.704 | 60% | 0.597 | S | S | * | * | trans | -66.6 | 87.5 | 172.3 | -172.3 | 143.6 | 68.4 | 0 | 0 | 105.2 | F88 I180 N184 | F88-M182 HydrophobicContact CB-CG 4.22Å; F88-M182 HydrophobicContact CB-SD 4.29Å; I180-M182 PolarHBondContact O-N 3.04Å; M182-N184 PolarHBondContact O-N 3.37Å | ||
| 183 | D | 48.2 | Very low | 48.9 | Very low | 119 Ų | 119 | 101.8 Ų | 101.8 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | trans | -64.9 | 86.1 | -175.5 | -75.2 | -11.6 | 0 | 0 | 0 | 107.8 | S181 C185 | S181-D183 PolarHBondContact O-N 2.89Å; S181-D183 PolarHBondContact OG-OD1 3.42Å; D183-C185 PolarHBondContact O-N 2.87Å; D183-C185 VanDerWaalsContact O-N 3.16Å | ||
| 184 | N | 56.5 | Low | 50.4 | Low | 83 Ų | 83 | 94.3 Ų | 94.3 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | trans | -55.4 | 122.4 | 157.8 | -75 | -15 | 0 | 0 | 0 | 105.4 | M182 D186 | M182-N184 PolarHBondContact O-N 3.37Å; N184-D186 HydrophobicContact CB-CB 4.48Å; N184-D186 PolarHBondContact O-N 2.95Å | ||
| 185 | C | 65.3 | Low | 52.3 | Low | 15 Ų | 15 | 89.7 Ų | 89.7 | 10% | 0.101 | 50% | 0.497 | C | S | . | . | trans | -70.5 | 54.8 | 173.6 | -174.3 | 0 | 0 | 0 | 0 | 109 | W89 C95 D183 | W89-C185 HydrophobicContact CB-CB 3.77Å; W89-C185 HydrophobicContact CD2-CB 3.52Å; W89-C185 HydrophobicContact CE3-CB 3.74Å; W89-C185 HydrophobicContact CG-CB 3.53Å; C95-C185 WeakPolarHBondContact CA-SG 3.48Å; C95-C185 HydrophobicContact CB-CB 3.81Å; C95-C185 WeakPolarHBondContact CB-SG 3.27Å; C95-C185 VanDerWaalsContact SG-CA 3.59Å; C95-C185 WeakPolarHBondContact SG-CB 3.4Å; C95-C185 CovalentContact SG-SG 2.03Å; C95-C185 PolarHBondContact SG-SG 3.41Å; D183-C185 PolarHBondContact O-N 2.87Å; D183-C185 VanDerWaalsContact O-N 3.16Å | ||
| 186 | D | 54.9 | Low | 54.6 | Low | 72 Ų | 72 | 87.6 Ų | 87.6 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | trans | -92 | 133.7 | 175.2 | -90.5 | -19.2 | 0 | 0 | 0 | 108 | N184 S188 | N184-D186 HydrophobicContact CB-CB 4.48Å; N184-D186 PolarHBondContact O-N 2.95Å; D186-S188 PolarHBondContact O-N 3.31Å | ||
| 187 | S | 52.8 | Low | 56.6 | Low | 50 Ų | 50 | 82.6 Ų | 82.6 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | trans | -65.9 | 69.2 | -176.1 | 38.5 | 0 | 0 | 0 | 0 | 111.8 | L189 | S187-L189 PolarHBondContact O-N 3.3Š| ||
| 188 | S | 52 | Low | 59 | Low | 84 Ų | 84 | 75.5 Ų | 75.5 | 59% | 0.587 | 40% | 0.404 | S | S | * | . | trans | -67.3 | 69 | 160.8 | 175.6 | 0 | 0 | 0 | 0 | 108.8 | A165 D186 | A165-S188 PolarHBondContact N-O 2.93Å; D186-S188 PolarHBondContact O-N 3.31Å | ||
| 189 | L | 59.6 | Low | 61.6 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -81.9 | 132.5 | -177.4 | -65.5 | 172.3 | 0 | 0 | 0 | 108.9 | H163 S187 R191 Y193 A194 | H163-L189 HydrophobicContact CB-CD2 3.85Å; H163-L189 CarbonylContact O-C 3.52Å; H163-L189 WeakPolarHBondContact O-CA 3.15Å; S187-L189 PolarHBondContact O-N 3.3Å; L189-R191 PolarHBondContact O-N 2.83Å; L189-Y193 HydrophobicContact CB-CD1 4.29Å; L189-Y193 HydrophobicContact CD2-CD1 3.79Å; L189-Y193 HydrophobicContact CD2-CE1 3.78Å; L189-Y193 HydrophobicContact CG-CD1 4.42Å; L189-A194 HydrophobicContact CB-CB 4.08Å |
| 190 | N | 66.9 | Low | 64.3 | Low | 51 Ų | 51 | 67.6 Ų | 67.6 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | trans | -51.2 | 134.5 | 171.5 | -179.6 | 13.6 | 0 | 0 | 0 | 110.1 | H163 M192 Y193 A194 | H163-N190 PolarHBondContact O-N 3.43Å; N190-M192 PolarHBondContact O-N 2.89Å; N190-M192 VanDerWaalsContact O-N 3.14Å; N190-Y193 CarbonylContact O-C 3.6Å; N190-Y193 WeakPolarHBondContact O-CA 3.14Å; N190-Y193 WeakPolarHBondContact O-CB 3.28Å; N190-Y193 PolarHBondContact O-N 2.93Å; N190-A194 PolarHBondContact O-N 3.44Å | ||
| 191 | R | 70.5 | Confident | 66.6 | Low | 93 Ų | 93 | 60.1 Ų | 60.1 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -46.8 | -48.6 | -178.8 | -67.9 | 178.8 | -176.5 | 161.2 | 20.6 | 112 | L189 Y193 A194 I195 P295 E298 | L189-R191 PolarHBondContact O-N 2.83Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; R191-Y193 PolarHBondContact O-N 3.2Å; R191-A194 PolarHBondContact O-N 2.65Å; R191-I195 VanDerWaalsContact O-CD1 3.29Å; R191-I195 WeakPolarHBondContact O-CD1 3.36Å; R191-I195 VanDerWaalsContact O-CG1 3.22Å; R191-I195 WeakPolarHBondContact O-CG1 3.29Å; R191-I195 PolarHBondContact O-N 2.97Å; R191-I195 VanDerWaalsContact O-N 3.15Å; R191-P295 HydrophobicContact CB-CB 4.15Å; R191-P295 HydrophobicContact CG-CB 3.58Å; R191-P295 WeakPolarHBondContact CG-O 3.39Å; R191-P295 PolarHBondContact NE-O 3.4Å; R191-E298 IonicContact CZ-OE1 2.67Å; R191-E298 IonicContact CZ-OE2 3.5Å; R191-E298 IonicContact NH1-OE1 3.48Å; R191-E298 PolarHBondContact NH1-OE1 2.75Å; R191-E298 IonicContact NH1-OE2 2.76Å; R191-E298 PolarHBondContact NH1-OE2 3.48Å; R191-E298 IonicContact NH2-OE1 2.69Å; R191-E298 PolarHBondContact NH2-OE1 2.69Å; R191-E298 IonicContact NH2-OE2 3.89Å; R191-E298 PolarHBondContact NH2-OE2 3.14Å; R191-E298 VanDerWaalsContact NH2-OE2 3.13Å |
| 192 | M | 72.1 | Confident | 69.1 | Low | 145 Ų | 145 | 56.6 Ų | 56.6 | 71% | 0.714 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.5 | -36.2 | -178.9 | -67.8 | -143.8 | -71.3 | 0 | 0 | 112.4 | N190 S196 | N190-M192 PolarHBondContact O-N 2.89Å; N190-M192 VanDerWaalsContact O-N 3.14Å; M192-S196 VanDerWaalsContact O-CB 3.22Å; M192-S196 WeakPolarHBondContact O-CB 3.45Å; M192-S196 PolarHBondContact O-N 3.26Å; M192-S196 PolarHBondContact O-OG 2.86Å |
| 193 | Y | 73.8 | Confident | 71.5 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71 | -47.1 | 177.2 | 178.4 | -109.7 | 0 | 0 | 0 | 111.8 | I103 P157 H163 L189 N190 R191 I195 S196 S197 | I103-Y193 HydrophobicContact CD1-CE1 4.28Å; I103-Y193 WeakPolarHBondContact CD1-OH 3.45Å; P157-Y193 HydrophobicContact CB-CD2 3.71Å; P157-Y193 HydrophobicContact CB-CE2 3.17Å; P157-Y193 HydrophobicContact CG-CD2 4.23Å; P157-Y193 HydrophobicContact CG-CE2 3.49Å; P157-Y193 VanDerWaalsContact CG-CE2 3.49Å; H163-Y193 HydrophobicContact CB-CD1 3.83Å; H163-Y193 HydrophobicContact CB-CE1 3.76Å; H163-Y193 HydrophobicContact CB-CG 4.49Å; L189-Y193 HydrophobicContact CB-CD1 4.29Å; L189-Y193 HydrophobicContact CD2-CD1 3.79Å; L189-Y193 HydrophobicContact CD2-CE1 3.78Å; L189-Y193 HydrophobicContact CG-CD1 4.42Å; N190-Y193 CarbonylContact O-C 3.6Å; N190-Y193 WeakPolarHBondContact O-CA 3.14Å; N190-Y193 WeakPolarHBondContact O-CB 3.28Å; N190-Y193 PolarHBondContact O-N 2.93Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; R191-Y193 PolarHBondContact O-N 3.2Å; Y193-I195 VanDerWaalsContact C-N 3.31Å; Y193-I195 PolarHBondContact O-N 3.29Å; Y193-S196 PolarHBondContact O-N 3.31Å; Y193-S196 PolarHBondContact O-OG 3.33Å; Y193-S197 WeakPolarHBondContact O-CB 3.07Å; Y193-S197 PolarHBondContact O-N 3.38Å |
| 194 | A | 74.6 | Confident | 73.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L189 N190 R191 S198 P295 | L189-A194 HydrophobicContact CB-CB 4.08Å; N190-A194 PolarHBondContact O-N 3.44Å; R191-A194 PolarHBondContact O-N 2.65Å; A194-S198 WeakPolarHBondContact O-CB 3.11Å; A194-S198 PolarHBondContact O-N 3.36Å; A194-S198 VanDerWaalsContact O-N 3.09Å; A194-S198 PolarHBondContact O-OG 2.93Å; A194-P295 HydrophobicContact CB-CG 3.7Å |
| 195 | I | 80.1 | Confident | 75.1 | Confident | 55 Ų | 55 | 48 Ų | 48 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.2 | -52.1 | 178.6 | -60.8 | 161.3 | 0 | 0 | 0 | 111.1 | R191 Y193 S197 S198 L199 F296 | R191-I195 VanDerWaalsContact O-CD1 3.29Å; R191-I195 WeakPolarHBondContact O-CD1 3.36Å; R191-I195 VanDerWaalsContact O-CG1 3.22Å; R191-I195 WeakPolarHBondContact O-CG1 3.29Å; R191-I195 PolarHBondContact O-N 2.97Å; R191-I195 VanDerWaalsContact O-N 3.15Å; Y193-I195 VanDerWaalsContact C-N 3.31Å; Y193-I195 PolarHBondContact O-N 3.29Å; I195-S197 PolarHBondContact O-N 3.34Å; I195-S198 PolarHBondContact O-N 3.01Å; I195-L199 HydrophobicContact CG2-CD1 3.93Å; I195-L199 HydrophobicContact CG2-CG 4.44Å; I195-L199 WeakPolarHBondContact O-CB 3.28Å; I195-L199 VanDerWaalsContact O-CG 3.3Å; I195-L199 WeakPolarHBondContact O-CG 3.49Å; I195-L199 PolarHBondContact O-N 3.06Å; I195-F296 HydrophobicContact CD1-CE2 3.66Å; I195-F296 HydrophobicContact CD1-CZ 3.39Å; I195-F296 HydrophobicContact CG1-CE2 4.17Å; I195-F296 HydrophobicContact CG1-CZ 4.38Å |
| 196 | S | 80.1 | Confident | 76.3 | Confident | 53 Ų | 53 | 48 Ų | 48 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | -176.1 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | M192 Y193 L199 I200 | M192-S196 VanDerWaalsContact O-CB 3.22Å; M192-S196 WeakPolarHBondContact O-CB 3.45Å; M192-S196 PolarHBondContact O-N 3.26Å; M192-S196 PolarHBondContact O-OG 2.86Å; Y193-S196 PolarHBondContact O-N 3.31Å; Y193-S196 PolarHBondContact O-OG 3.33Å; S196-L199 PolarHBondContact O-N 3.16Å; S196-I200 WeakPolarHBondContact O-CG1 3.43Å; S196-I200 PolarHBondContact O-N 3.49Å; S196-I200 VanDerWaalsContact O-N 3.13Å |
| 197 | S | 78.4 | Confident | 78 | Confident | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 175.3 | -173 | 0 | 0 | 0 | 0 | 111.4 | Y193 I195 L199 I200 S201 | Y193-S197 WeakPolarHBondContact O-CB 3.07Å; Y193-S197 PolarHBondContact O-N 3.38Å; I195-S197 PolarHBondContact O-N 3.34Å; S197-L199 VanDerWaalsContact C-N 3.32Å; S197-L199 PolarHBondContact O-N 3.09Å; S197-I200 PolarHBondContact O-N 3.41Å; S197-S201 VanDerWaalsContact O-CB 3.28Å; S197-S201 WeakPolarHBondContact O-CB 3.43Å; S197-S201 PolarHBondContact O-N 3.44Å; S197-S201 PolarHBondContact O-OG 2.96Å |
| 198 | S | 85.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | A194 I195 F202 Y203 N291 | A194-S198 WeakPolarHBondContact O-CB 3.11Å; A194-S198 PolarHBondContact O-N 3.36Å; A194-S198 VanDerWaalsContact O-N 3.09Å; A194-S198 PolarHBondContact O-OG 2.93Å; I195-S198 PolarHBondContact O-N 3.01Å; S198-F202 WeakPolarHBondContact O-CA 3.48Å; S198-F202 WeakPolarHBondContact O-CB 3.35Å; S198-F202 PolarHBondContact O-N 3.34Å; S198-Y203 WeakPolarHBondContact O-CD2 3.21Å; S198-Y203 PolarHBondContact O-N 3.36Å; S198-Y203 VanDerWaalsContact O-N 3.11Å; S198-N291 PolarHBondContact OG-ND2 3.08Å |
| 199 | L | 86.6 | Confident | 81.5 | Confident | 82 Ų | 82 | 44.3 Ų | 44.3 | 43% | 0.429 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -61.9 | -49.7 | 176.8 | -76.9 | 170.6 | 0 | 0 | 0 | 112.2 | I195 S196 S197 Y203 I204 | I195-L199 HydrophobicContact CG2-CD1 3.93Å; I195-L199 HydrophobicContact CG2-CG 4.44Å; I195-L199 WeakPolarHBondContact O-CB 3.28Å; I195-L199 VanDerWaalsContact O-CG 3.3Å; I195-L199 WeakPolarHBondContact O-CG 3.49Å; I195-L199 PolarHBondContact O-N 3.06Å; S196-L199 PolarHBondContact O-N 3.16Å; S197-L199 VanDerWaalsContact C-N 3.32Å; S197-L199 PolarHBondContact O-N 3.09Å; L199-Y203 HydrophobicContact CD2-CD2 3.99Å; L199-Y203 HydrophobicContact CD2-CG 4.32Å; L199-Y203 HydrophobicContact CG-CD2 4.46Å; L199-Y203 PolarHBondContact O-N 3.35Å; L199-I204 WeakPolarHBondContact O-CB 3.37Å; L199-I204 WeakPolarHBondContact O-CG1 3.33Å; L199-I204 PolarHBondContact O-N 3.24Å |
| 200 | I | 83 | Confident | 82.9 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 44% | 0.436 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -75.2 | -43.2 | -174.9 | -59 | 168.3 | 0 | 0 | 0 | 110.9 | I153 S196 S197 P205 | I153-I200 HydrophobicContact CD1-CB 4.42Å; I153-I200 HydrophobicContact CD1-CG2 3.4Å; I153-I200 HydrophobicContact CG1-CG2 4.08Å; S196-I200 WeakPolarHBondContact O-CG1 3.43Å; S196-I200 PolarHBondContact O-N 3.49Å; S196-I200 VanDerWaalsContact O-N 3.13Å; S197-I200 PolarHBondContact O-N 3.41Å; I200-P205 VanDerWaalsContact O-CD 3.24Å; I200-P205 WeakPolarHBondContact O-CD 3.38Å |
| 201 | S | 83.1 | Confident | 84 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -82.7 | -21.9 | -174.7 | -67.5 | 0 | 0 | 0 | 0 | 114.3 | T107 I110 I153 S197 | T107-S201 VanDerWaalsContact CG2-OG 3.27Å; T107-S201 WeakPolarHBondContact CG2-OG 3.42Å; T107-S201 WeakPolarHBondContact OG1-CB 3.47Å; T107-S201 PolarHBondContact OG1-OG 3.43Å; I110-S201 WeakPolarHBondContact CD1-O 3.31Å; I110-S201 VanDerWaalsContact CG2-O 3.25Å; I110-S201 WeakPolarHBondContact CG2-O 3.25Å; I153-S201 WeakPolarHBondContact CG2-OG 3.47Å; S197-S201 VanDerWaalsContact O-CB 3.28Å; S197-S201 WeakPolarHBondContact O-CB 3.43Å; S197-S201 PolarHBondContact O-N 3.44Å; S197-S201 PolarHBondContact O-OG 2.96Å |
| 202 | F | 87.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -129.1 | -60.8 | -176.3 | 178.2 | -105.9 | 0 | 0 | 0 | 114.1 | I110 S198 I204 P205 V206 F280 W284 L285 F288 | I110-F202 HydrophobicContact CD1-CD2 4.26Å; S198-F202 WeakPolarHBondContact O-CA 3.48Å; S198-F202 WeakPolarHBondContact O-CB 3.35Å; S198-F202 PolarHBondContact O-N 3.34Å; F202-I204 PolarHBondContact O-N 3.13Å; F202-P205 WeakPolarHBondContact O-CD 3.28Å; F202-V206 HydrophobicContact CD1-CG2 4.34Å; F202-V206 HydrophobicContact CD2-CG2 3.68Å; F202-V206 HydrophobicContact CE1-CG2 4.13Å; F202-V206 HydrophobicContact CE2-CG2 3.42Å; F202-V206 VanDerWaalsContact CE2-CG2 3.42Å; F202-V206 HydrophobicContact CG-CG2 4.14Å; F202-V206 HydrophobicContact CZ-CG2 3.68Å; F202-V206 VanDerWaalsContact O-CB 3.32Å; F202-V206 WeakPolarHBondContact O-CB 3.23Å; F202-V206 WeakPolarHBondContact O-CG2 3.29Å; F202-V206 PolarHBondContact O-N 3.15Å; F202-F280 HydrophobicContact CD2-CZ 4.39Å; F202-F280 HydrophobicContact CE2-CE1 4.34Å; F202-F280 HydrophobicContact CE2-CZ 4.28Å; F202-W284 HydrophobicContact CD2-CB 4.1Å; F202-W284 HydrophobicContact CE2-CB 3.43Å; F202-W284 VanDerWaalsContact CE2-CB 3.43Å; F202-W284 HydrophobicContact CE2-CG 4.45Å; F202-W284 HydrophobicContact CZ-CB 4.14Å; F202-L285 HydrophobicContact CE1-CD1 3.89Å; F202-L285 HydrophobicContact CZ-CB 4.08Å; F202-L285 HydrophobicContact CZ-CD1 4.11Å; F202-F288 HydrophobicContact CB-CD1 3.72Å; F202-F288 HydrophobicContact CB-CD2 3.64Å; F202-F288 HydrophobicContact CB-CE1 3.6Å; F202-F288 HydrophobicContact CB-CE2 3.5Å; F202-F288 HydrophobicContact CB-CG 3.75Å; F202-F288 HydrophobicContact CB-CZ 3.51Å; F202-F288 HydrophobicContact CD1-CB 3.55Å; F202-F288 HydrophobicContact CD1-CD1 4.16Å; F202-F288 AromaticContact CD1-CD2 3.52Å; F202-F288 HydrophobicContact CD1-CD2 3.52Å; F202-F288 HydrophobicContact CD1-CE2 4.25Å; F202-F288 AromaticContact CD1-CG 3.46Å; F202-F288 HydrophobicContact CD1-CG 3.46Å; F202-F288 VanDerWaalsContact CD1-CG 3.46Å; F202-F288 AromaticContact CD2-CD2 3.26Å; F202-F288 HydrophobicContact CD2-CD2 3.26Å; F202-F288 AromaticContact CD2-CE2 3.33Å; F202-F288 HydrophobicContact CD2-CE2 3.33Å; F202-F288 HydrophobicContact CD2-CG 4.07Å; F202-F288 HydrophobicContact CD2-CZ 4.21Å; F202-F288 HydrophobicContact CE1-CB 3.75Å; F202-F288 AromaticContact CE1-CD2 3.91Å; F202-F288 HydrophobicContact CE1-CD2 3.91Å; F202-F288 HydrophobicContact CE1-CG 4.02Å; F202-F288 AromaticContact CE2-CD2 3.68Å; F202-F288 HydrophobicContact CE2-CD2 3.68Å; F202-F288 HydrophobicContact CE2-CE2 4.08Å; F202-F288 HydrophobicContact CG-CB 4.11Å; F202-F288 HydrophobicContact CG-CD1 4.01Å; F202-F288 AromaticContact CG-CD2 3.16Å; F202-F288 HydrophobicContact CG-CD2 3.16Å; F202-F288 HydrophobicContact CG-CE1 4.24Å; F202-F288 AromaticContact CG-CE2 3.44Å; F202-F288 HydrophobicContact CG-CE2 3.44Å; F202-F288 VanDerWaalsContact CG-CE2 3.44Å; F202-F288 AromaticContact CG-CG 3.49Å; F202-F288 HydrophobicContact CG-CG 3.49Å; F202-F288 VanDerWaalsContact CG-CG 3.49Å; F202-F288 AromaticContact CG-CZ 3.99Å; F202-F288 HydrophobicContact CG-CZ 3.99Å; F202-F288 HydrophobicContact CZ-CB 4.46Å; F202-F288 AromaticContact CZ-CD2 3.98Å; F202-F288 HydrophobicContact CZ-CD2 3.98Å |
| 203 | Y | 90.3 | Very high | 85.3 | Confident | 72 Ų | 72 | 39.2 Ų | 39.2 | 28% | 0.282 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -65.2 | -41 | -169.3 | -67.9 | -73.7 | 0 | 0 | 0 | 113.4 | S198 L199 A207 F288 | S198-Y203 WeakPolarHBondContact O-CD2 3.21Å; S198-Y203 PolarHBondContact O-N 3.36Å; S198-Y203 VanDerWaalsContact O-N 3.11Å; L199-Y203 HydrophobicContact CD2-CD2 3.99Å; L199-Y203 HydrophobicContact CD2-CG 4.32Å; L199-Y203 HydrophobicContact CG-CD2 4.46Å; L199-Y203 PolarHBondContact O-N 3.35Å; Y203-A207 WeakPolarHBondContact O-CB 3.22Å; Y203-A207 PolarHBondContact O-N 3Å; Y203-F288 PolarHBondContact OH-O 3.11Å |
| 204 | I | 90.8 | Very high | 85.8 | Confident | 92 Ų | 92 | 41.5 Ų | 41.5 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -52.6 | 176.1 | -69.3 | 170.8 | 0 | 0 | 0 | 111 | L199 F202 V206 A207 I208 | L199-I204 WeakPolarHBondContact O-CB 3.37Å; L199-I204 WeakPolarHBondContact O-CG1 3.33Å; L199-I204 PolarHBondContact O-N 3.24Å; F202-I204 PolarHBondContact O-N 3.13Å; I204-V206 VanDerWaalsContact C-N 3.33Å; I204-V206 PolarHBondContact O-N 3.34Å; I204-A207 PolarHBondContact O-N 3.23Å; I204-I208 HydrophobicContact CG2-CD1 3.98Å; I204-I208 WeakPolarHBondContact O-CG1 3.42Å; I204-I208 PolarHBondContact O-N 3.15Å |
| 205 | P | 90.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.5 | -46.2 | 173.5 | -30.2 | 35.7 | 0 | 0 | 0 | 113.4 | I110 L111 C114 I200 F202 A207 I208 M209 | I110-P205 HydrophobicContact CG2-CB 3.62Å; I110-P205 HydrophobicContact CG2-CG 4.05Å; L111-P205 HydrophobicContact CD2-CG 3.76Å; C114-P205 HydrophobicContact CB-CB 4.09Å; I200-P205 VanDerWaalsContact O-CD 3.24Å; I200-P205 WeakPolarHBondContact O-CD 3.38Å; F202-P205 WeakPolarHBondContact O-CD 3.28Å; P205-A207 PolarHBondContact O-N 3.15Å; P205-I208 PolarHBondContact O-N 3.35Å; P205-M209 WeakPolarHBondContact O-CB 3.15Å; P205-M209 WeakPolarHBondContact O-CG 3.32Å; P205-M209 PolarHBondContact O-N 3.04Å |
| 206 | V | 89.2 | Confident | 86.6 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | F202 I204 M209 I210 F280 V281 | F202-V206 HydrophobicContact CD1-CG2 4.34Å; F202-V206 HydrophobicContact CD2-CG2 3.68Å; F202-V206 HydrophobicContact CE1-CG2 4.13Å; F202-V206 HydrophobicContact CE2-CG2 3.42Å; F202-V206 VanDerWaalsContact CE2-CG2 3.42Å; F202-V206 HydrophobicContact CG-CG2 4.14Å; F202-V206 HydrophobicContact CZ-CG2 3.68Å; F202-V206 VanDerWaalsContact O-CB 3.32Å; F202-V206 WeakPolarHBondContact O-CB 3.23Å; F202-V206 WeakPolarHBondContact O-CG2 3.29Å; F202-V206 PolarHBondContact O-N 3.15Å; I204-V206 VanDerWaalsContact C-N 3.33Å; I204-V206 PolarHBondContact O-N 3.34Å; V206-M209 WeakPolarHBondContact O-CB 3.39Å; V206-M209 PolarHBondContact O-N 3.25Å; V206-I210 HydrophobicContact CG1-CD1 3.67Å; V206-I210 HydrophobicContact CG1-CG1 4.27Å; V206-I210 WeakPolarHBondContact O-CB 3.2Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.13Å; V206-I210 PolarHBondContact O-N 3.07Å; V206-F280 HydrophobicContact CG2-CE1 3.73Å; V206-F280 HydrophobicContact CG2-CZ 4.45Å; V206-V281 HydrophobicContact CG1-CG2 4.34Å |
| 207 | A | 90.8 | Very high | 86.7 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y203 I204 P205 M209 I210 V211 | Y203-A207 WeakPolarHBondContact O-CB 3.22Å; Y203-A207 PolarHBondContact O-N 3Å; I204-A207 PolarHBondContact O-N 3.23Å; P205-A207 PolarHBondContact O-N 3.15Å; A207-M209 VanDerWaalsContact C-N 3.32Å; A207-M209 PolarHBondContact O-N 3.45Å; A207-I210 PolarHBondContact O-N 2.89Å; A207-V211 WeakPolarHBondContact O-CB 3.23Å; A207-V211 VanDerWaalsContact O-CG2 3.31Å; A207-V211 WeakPolarHBondContact O-CG2 3.28Å; A207-V211 PolarHBondContact O-N 3.14Å |
| 208 | I | 90.9 | Very high | 87 | Confident | 74 Ų | 74 | 57.6 Ų | 57.6 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.5 | -66 | 166.9 | 0 | 0 | 0 | 110.3 | V118 I204 P205 V211 T212 | V118-I208 HydrophobicContact CG2-CG2 3.84Å; I204-I208 HydrophobicContact CG2-CD1 3.98Å; I204-I208 WeakPolarHBondContact O-CG1 3.42Å; I204-I208 PolarHBondContact O-N 3.15Å; P205-I208 PolarHBondContact O-N 3.35Å; I208-V211 PolarHBondContact O-N 2.92Å; I208-T212 HydrophobicContact CG2-CG2 4.24Å; I208-T212 WeakPolarHBondContact O-CB 3.43Å; I208-T212 VanDerWaalsContact O-CG2 3.29Å; I208-T212 WeakPolarHBondContact O-CG2 3.47Å; I208-T212 PolarHBondContact O-N 2.8Å; I208-T212 PolarHBondContact O-OG1 2.98Å |
| 209 | M | 88.9 | Confident | 86.9 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.5 | -52.2 | 175.3 | -84.2 | -179.3 | 78.6 | 0 | 0 | 112.2 | L113 C114 P205 V206 A207 V211 T212 Y213 M277 F280 | L113-M209 HydrophobicContact CB-CE 4.06Å; L113-M209 HydrophobicContact CB-SD 4.38Å; C114-M209 HydrophobicContact CB-CG 4.1Å; C114-M209 HydrophobicContact CB-SD 4.17Å; P205-M209 WeakPolarHBondContact O-CB 3.15Å; P205-M209 WeakPolarHBondContact O-CG 3.32Å; P205-M209 PolarHBondContact O-N 3.04Å; V206-M209 WeakPolarHBondContact O-CB 3.39Å; V206-M209 PolarHBondContact O-N 3.25Å; A207-M209 VanDerWaalsContact C-N 3.32Å; A207-M209 PolarHBondContact O-N 3.45Å; M209-V211 PolarHBondContact O-N 3.28Å; M209-T212 PolarHBondContact O-OG1 3.18Å; M209-Y213 WeakPolarHBondContact O-CB 3.34Å; M209-Y213 VanDerWaalsContact O-CD2 3.25Å; M209-Y213 WeakPolarHBondContact O-CD2 3.35Å; M209-Y213 PolarHBondContact O-N 2.64Å; M209-M277 HydrophobicContact CB-CE 3.28Å; M209-M277 HydrophobicContact CE-CE 3.21Å; M209-M277 HydrophobicContact CE-SD 3.31Å; M209-M277 WeakPolarHBondContact CE-SD 3.28Å; M209-M277 HydrophobicContact CG-CE 3.6Å; M209-M277 HydrophobicContact SD-CE 4.19Å; M209-F280 HydrophobicContact CE-CD1 3.59Å; M209-F280 HydrophobicContact CE-CE1 3.93Å; M209-F280 HydrophobicContact CE-CG 4.2Å; M209-F280 HydrophobicContact SD-CD1 4.15Å; M209-F280 HydrophobicContact SD-CE1 3.86Å |
| 210 | I | 88.1 | Confident | 86.3 | Confident | 93 Ų | 93 | 56.1 Ų | 56.1 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 177.2 | -68.5 | 168.1 | 0 | 0 | 0 | 111.4 | V206 A207 Y213 T214 | V206-I210 HydrophobicContact CG1-CD1 3.67Å; V206-I210 HydrophobicContact CG1-CG1 4.27Å; V206-I210 WeakPolarHBondContact O-CB 3.2Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.13Å; V206-I210 PolarHBondContact O-N 3.07Å; A207-I210 PolarHBondContact O-N 2.89Å; I210-Y213 PolarHBondContact O-N 3.11Å; I210-T214 VanDerWaalsContact O-CB 3.3Å; I210-T214 WeakPolarHBondContact O-CB 3.22Å; I210-T214 PolarHBondContact O-N 3.11Å; I210-T214 PolarHBondContact O-OG1 2.9Å |
| 211 | V | 89.5 | Confident | 86.2 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 48% | 0.479 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -48.7 | -178.8 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | A207 I208 M209 Y213 T214 R215 | A207-V211 WeakPolarHBondContact O-CB 3.23Å; A207-V211 VanDerWaalsContact O-CG2 3.31Å; A207-V211 WeakPolarHBondContact O-CG2 3.28Å; A207-V211 PolarHBondContact O-N 3.14Å; I208-V211 PolarHBondContact O-N 2.92Å; M209-V211 PolarHBondContact O-N 3.28Å; V211-Y213 PolarHBondContact O-N 3.48Å; V211-T214 PolarHBondContact O-N 2.97Å; V211-R215 WeakPolarHBondContact O-CG 3.28Å; V211-R215 PolarHBondContact O-N 3.27Å |
| 212 | T | 87.5 | Confident | 86.1 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 179.3 | 50.4 | 0 | 0 | 0 | 0 | 111 | V118 Y121 I208 M209 R215 I216 | V118-T212 HydrophobicContact CG2-CG2 4.22Å; Y121-T212 HydrophobicContact CD1-CG2 4.18Å; Y121-T212 HydrophobicContact CG-CG2 4.29Å; I208-T212 HydrophobicContact CG2-CG2 4.24Å; I208-T212 WeakPolarHBondContact O-CB 3.43Å; I208-T212 VanDerWaalsContact O-CG2 3.29Å; I208-T212 WeakPolarHBondContact O-CG2 3.47Å; I208-T212 PolarHBondContact O-N 2.8Å; I208-T212 PolarHBondContact O-OG1 2.98Å; M209-T212 PolarHBondContact O-OG1 3.18Å; T212-R215 WeakPolarHBondContact O-CB 3.44Å; T212-R215 PolarHBondContact O-N 3.5Å; T212-I216 VanDerWaalsContact O-CG1 3.3Å; T212-I216 WeakPolarHBondContact O-CG1 3.3Å; T212-I216 PolarHBondContact O-N 3.37Å |
| 213 | Y | 83.3 | Confident | 85.6 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.8 | -36.4 | 178.5 | -87.4 | -105.2 | 0 | 0 | 0 | 114.1 | S117 M209 I210 V211 R215 I216 Y217 L273 M277 | S117-Y213 VanDerWaalsContact CB-CE2 3.49Å; S117-Y213 WeakPolarHBondContact OG-CE2 3.33Å; M209-Y213 WeakPolarHBondContact O-CB 3.34Å; M209-Y213 VanDerWaalsContact O-CD2 3.25Å; M209-Y213 WeakPolarHBondContact O-CD2 3.35Å; M209-Y213 PolarHBondContact O-N 2.64Å; I210-Y213 PolarHBondContact O-N 3.11Å; V211-Y213 PolarHBondContact O-N 3.48Å; Y213-R215 VanDerWaalsContact C-N 3.26Å; Y213-R215 PolarHBondContact O-N 2.78Å; Y213-I216 HydrophobicContact CD1-CD1 4.47Å; Y213-I216 HydrophobicContact CD2-CD1 4.27Å; Y213-I216 HydrophobicContact CE2-CD1 4.47Å; Y213-I216 HydrophobicContact CG-CD1 4.32Å; Y213-I216 PolarHBondContact O-N 2.88Å; Y213-Y217 WeakPolarHBondContact O-CB 3.46Å; Y213-Y217 PolarHBondContact O-N 3.27Å; Y213-L273 HydrophobicContact CE1-CB 3.76Å; Y213-L273 WeakPolarHBondContact CE1-O 3.37Å; Y213-M277 HydrophobicContact CD1-CE 4.47Å; Y213-M277 HydrophobicContact CD1-CG 3.56Å; Y213-M277 HydrophobicContact CD1-SD 4.47Å; Y213-M277 HydrophobicContact CD2-CE 3.19Å; Y213-M277 HydrophobicContact CD2-CG 3.93Å; Y213-M277 HydrophobicContact CD2-SD 3.89Å; Y213-M277 HydrophobicContact CE1-CE 4.41Å; Y213-M277 HydrophobicContact CE1-CG 3.24Å; Y213-M277 HydrophobicContact CE1-SD 3.92Å; Y213-M277 HydrophobicContact CE2-CE 3.13Å; Y213-M277 HydrophobicContact CE2-CG 3.64Å; Y213-M277 HydrophobicContact CE2-SD 3.25Å; Y213-M277 WeakPolarHBondContact CE2-SD 3.19Å; Y213-M277 HydrophobicContact CG-CE 3.86Å; Y213-M277 HydrophobicContact CG-CG 3.84Å; Y213-M277 HydrophobicContact CG-SD 4.41Å; Y213-M277 PolarHBondContact OH-SD 3.09Å; Y213-M277 VanDerWaalsContact OH-SD 3.34Å |
| 214 | T | 84.7 | Confident | 84.9 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 172.3 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | I210 V211 Y217 R218 | I210-T214 VanDerWaalsContact O-CB 3.3Å; I210-T214 WeakPolarHBondContact O-CB 3.22Å; I210-T214 PolarHBondContact O-N 3.11Å; I210-T214 PolarHBondContact O-OG1 2.9Å; V211-T214 PolarHBondContact O-N 2.97Å; T214-Y217 PolarHBondContact O-N 3.03Å; T214-R218 WeakPolarHBondContact O-CB 3.48Å; T214-R218 WeakPolarHBondContact O-CG 3.39Å; T214-R218 PolarHBondContact O-N 3.31Å |
| 215 | R | 87.5 | Confident | 84.4 | Confident | 141 Ų | 141 | 67.5 Ų | 67.5 | 53% | 0.532 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 174.2 | -71.6 | -176.9 | 177.2 | -114.2 | -0.4 | 112.1 | Y121 V211 T212 Y213 Y217 R218 I219 | Y121-R215 HydrophobicContact CD2-CB 4.15Å; Y121-R215 HydrophobicContact CE2-CB 3.59Å; V211-R215 WeakPolarHBondContact O-CG 3.28Å; V211-R215 PolarHBondContact O-N 3.27Å; T212-R215 WeakPolarHBondContact O-CB 3.44Å; T212-R215 PolarHBondContact O-N 3.5Å; Y213-R215 VanDerWaalsContact C-N 3.26Å; Y213-R215 PolarHBondContact O-N 2.78Å; R215-Y217 VanDerWaalsContact C-N 3.34Å; R215-Y217 PolarHBondContact O-N 3.1Å; R215-R218 PolarHBondContact O-N 3.13Å; R215-I219 VanDerWaalsContact O-CG1 3.26Å; R215-I219 WeakPolarHBondContact O-CG1 3.33Å; R215-I219 PolarHBondContact O-N 3.13Å |
| 216 | I | 83.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.8 | -51.9 | 173.5 | -69.2 | 168.2 | 0 | 0 | 0 | 109.8 | R120 Y121 I124 T212 Y213 R218 I219 A220 L270 | R120-I216 HydrophobicContact CB-CD1 4.43Å; Y121-I216 HydrophobicContact CD2-CG1 3.79Å; Y121-I216 HydrophobicContact CG-CG1 4.35Å; I124-I216 HydrophobicContact CD1-CD1 4.39Å; I124-I216 HydrophobicContact CD1-CG1 4.38Å; I124-I216 HydrophobicContact CD1-CG2 3.68Å; I124-I216 HydrophobicContact CG2-CG2 4.45Å; T212-I216 VanDerWaalsContact O-CG1 3.3Å; T212-I216 WeakPolarHBondContact O-CG1 3.3Å; T212-I216 PolarHBondContact O-N 3.37Å; Y213-I216 HydrophobicContact CD1-CD1 4.47Å; Y213-I216 HydrophobicContact CD2-CD1 4.27Å; Y213-I216 HydrophobicContact CE2-CD1 4.47Å; Y213-I216 HydrophobicContact CG-CD1 4.32Å; Y213-I216 PolarHBondContact O-N 2.88Å; I216-R218 VanDerWaalsContact C-N 3.34Å; I216-R218 PolarHBondContact O-N 3.27Å; I216-I219 PolarHBondContact O-N 3.01Å; I216-A220 WeakPolarHBondContact O-CB 3.34Å; I216-A220 PolarHBondContact O-N 3.28Å; I216-L270 HydrophobicContact CG2-CD2 3.47Å; I216-L270 VanDerWaalsContact CG2-CD2 3.47Å |
| 217 | Y | 81.7 | Confident | 83.2 | Confident | 137 Ų | 137 | 76.5 Ų | 76.5 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | -179.5 | 179 | -102.1 | 0 | 0 | 0 | 111.7 | Y213 T214 R215 A220 Q221 | Y213-Y217 WeakPolarHBondContact O-CB 3.46Å; Y213-Y217 PolarHBondContact O-N 3.27Å; T214-Y217 PolarHBondContact O-N 3.03Å; R215-Y217 VanDerWaalsContact C-N 3.34Å; R215-Y217 PolarHBondContact O-N 3.1Å; Y217-A220 PolarHBondContact O-N 3.36Å; Y217-Q221 HydrophobicContact CD1-CG 4.18Å; Y217-Q221 HydrophobicContact CD2-CG 4.38Å; Y217-Q221 HydrophobicContact CE1-CG 3.81Å; Y217-Q221 HydrophobicContact CE2-CG 4.02Å; Y217-Q221 HydrophobicContact CG-CG 4.45Å; Y217-Q221 WeakPolarHBondContact O-CB 3.37Å; Y217-Q221 WeakPolarHBondContact O-CG 3.17Å; Y217-Q221 PolarHBondContact O-N 3.16Å; Y217-Q221 PolarHBondContact OH-NE2 3.5Å |
| 218 | R | 84.7 | Confident | 82.6 | Confident | 180 Ų | 180 | 76.1 Ų | 76.1 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 176.7 | -74.8 | -178.4 | 179 | -168 | 1.5 | 112.7 | T214 R215 I216 Q221 K222 | T214-R218 WeakPolarHBondContact O-CB 3.48Å; T214-R218 WeakPolarHBondContact O-CG 3.39Å; T214-R218 PolarHBondContact O-N 3.31Å; R215-R218 PolarHBondContact O-N 3.13Å; I216-R218 VanDerWaalsContact C-N 3.34Å; I216-R218 PolarHBondContact O-N 3.27Å; R218-Q221 PolarHBondContact O-N 3.33Å; R218-K222 WeakPolarHBondContact O-CB 3.38Å; R218-K222 PolarHBondContact O-N 2.8Å |
| 219 | I | 82.3 | Confident | 82.1 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 177.7 | -69.9 | 166.7 | 0 | 0 | 0 | 109.9 | Y121 I124 R215 I216 K222 Q223 | Y121-I219 HydrophobicContact CE2-CD1 3.88Å; I124-I219 HydrophobicContact CG2-CG2 4.41Å; R215-I219 VanDerWaalsContact O-CG1 3.26Å; R215-I219 WeakPolarHBondContact O-CG1 3.33Å; R215-I219 PolarHBondContact O-N 3.13Å; I216-I219 PolarHBondContact O-N 3.01Å; I219-K222 WeakPolarHBondContact O-CB 3.36Å; I219-K222 PolarHBondContact O-N 2.94Å; I219-Q223 WeakPolarHBondContact O-CG 3.44Å; I219-Q223 PolarHBondContact O-N 2.94Å |
| 220 | A | 75.4 | Confident | 81.7 | Confident | 5 Ų | 5 | 80.5 Ų | 80.5 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.7 | -52.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I216 Y217 K222 Q223 I224 L270 | I216-A220 WeakPolarHBondContact O-CB 3.34Å; I216-A220 PolarHBondContact O-N 3.28Å; Y217-A220 PolarHBondContact O-N 3.36Å; A220-K222 PolarHBondContact O-N 3.09Å; A220-Q223 CarbonylContact O-C 3.59Å; A220-Q223 WeakPolarHBondContact O-CA 3.31Å; A220-Q223 WeakPolarHBondContact O-CB 3.4Å; A220-Q223 PolarHBondContact O-N 2.91Å; A220-I224 VanDerWaalsContact O-CG1 3.24Å; A220-I224 WeakPolarHBondContact O-CG1 3.4Å; A220-I224 PolarHBondContact O-N 3.45Å; A220-L270 HydrophobicContact CB-CD1 3.36Å; A220-L270 HydrophobicContact CB-CD2 4.5Å |
| 221 | Q | 79.8 | Confident | 81.3 | Confident | 56 Ų | 56 | 79 Ų | 79 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.3 | -37.5 | 177.2 | -74.1 | -68.4 | -18.9 | 0 | 0 | 112.8 | Y217 R218 I224 R225 | Y217-Q221 HydrophobicContact CD1-CG 4.18Å; Y217-Q221 HydrophobicContact CD2-CG 4.38Å; Y217-Q221 HydrophobicContact CE1-CG 3.81Å; Y217-Q221 HydrophobicContact CE2-CG 4.02Å; Y217-Q221 HydrophobicContact CG-CG 4.45Å; Y217-Q221 WeakPolarHBondContact O-CB 3.37Å; Y217-Q221 WeakPolarHBondContact O-CG 3.17Å; Y217-Q221 PolarHBondContact O-N 3.16Å; Y217-Q221 PolarHBondContact OH-NE2 3.5Å; R218-Q221 PolarHBondContact O-N 3.33Å; Q221-I224 PolarHBondContact O-N 3.01Å; Q221-R225 WeakPolarHBondContact O-CG 3.5Å; Q221-R225 PolarHBondContact O-N 3.25Å |
| 222 | K | 81 | Confident | 80.9 | Confident | 121 Ų | 121 | 83.7 Ų | 83.7 | 53% | 0.526 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 175.2 | -168.9 | 174.3 | -176.9 | 176.9 | 0 | 112 | R218 I219 A220 R225 R226 | R218-K222 WeakPolarHBondContact O-CB 3.38Å; R218-K222 PolarHBondContact O-N 2.8Å; I219-K222 WeakPolarHBondContact O-CB 3.36Å; I219-K222 PolarHBondContact O-N 2.94Å; A220-K222 PolarHBondContact O-N 3.09Å; K222-R225 PolarHBondContact O-N 2.86Å; K222-R226 WeakPolarHBondContact O-CG 3.09Å; K222-R226 PolarHBondContact O-N 3.13Å |
| 223 | Q | 77.9 | Confident | 80.6 | Confident | 92 Ų | 92 | 86 Ų | 86 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 173.3 | -72.6 | 174.1 | -29.6 | 0 | 0 | 110.8 | I219 A220 R225 R226 I227 | I219-Q223 WeakPolarHBondContact O-CG 3.44Å; I219-Q223 PolarHBondContact O-N 2.94Å; A220-Q223 CarbonylContact O-C 3.59Å; A220-Q223 WeakPolarHBondContact O-CA 3.31Å; A220-Q223 WeakPolarHBondContact O-CB 3.4Å; A220-Q223 PolarHBondContact O-N 2.91Å; Q223-R225 PolarHBondContact O-N 2.75Å; Q223-R226 PolarHBondContact O-N 3.16Å; Q223-I227 WeakPolarHBondContact O-CB 3.43Å; Q223-I227 WeakPolarHBondContact O-CD1 3.42Å; Q223-I227 WeakPolarHBondContact O-CG1 3.37Å; Q223-I227 PolarHBondContact O-N 2.98Å |
| 224 | I | 74.9 | Confident | 80.4 | Confident | 41 Ų | 41 | 87.4 Ų | 87.4 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -53.3 | -52.2 | 175.1 | -60.5 | 176 | 0 | 0 | 0 | 110.4 | A220 Q221 R226 I227 S228 F263 | A220-I224 VanDerWaalsContact O-CG1 3.24Å; A220-I224 WeakPolarHBondContact O-CG1 3.4Å; A220-I224 PolarHBondContact O-N 3.45Å; Q221-I224 PolarHBondContact O-N 3.01Å; I224-R226 PolarHBondContact O-N 3.09Å; I224-I227 PolarHBondContact O-N 3.1Å; I224-S228 PolarHBondContact O-N 3.03Å; I224-S228 PolarHBondContact O-OG 3.35Å; I224-S228 VanDerWaalsContact O-OG 3.12Å; I224-F263 HydrophobicContact CB-CE2 4.33Å; I224-F263 HydrophobicContact CB-CZ 4.15Å; I224-F263 HydrophobicContact CD1-CZ 4.18Å; I224-F263 HydrophobicContact CG1-CE2 3.67Å; I224-F263 HydrophobicContact CG1-CZ 3.59Å; I224-F263 HydrophobicContact CG2-CZ 3.91Å |
| 225 | R | 79.8 | Confident | 80.3 | Confident | 182 Ų | 182 | 87.8 Ų | 87.8 | 69% | 0.687 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | -178.4 | -71.3 | 178.2 | -164.9 | -175.4 | 3 | 113.1 | Q221 K222 Q223 I227 A229 | Q221-R225 WeakPolarHBondContact O-CG 3.5Å; Q221-R225 PolarHBondContact O-N 3.25Å; K222-R225 PolarHBondContact O-N 2.86Å; Q223-R225 PolarHBondContact O-N 2.75Å; R225-I227 VanDerWaalsContact C-N 3.33Å; R225-A229 WeakPolarHBondContact O-CB 3.21Å; R225-A229 PolarHBondContact O-N 3.02Å |
| 226 | R | 80.7 | Confident | 79.8 | Confident | 165 Ų | 165 | 87.2 Ų | 87.2 | 62% | 0.623 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 178.2 | -76.9 | -178.2 | 172.1 | -158.9 | -4.6 | 111.2 | K222 Q223 I224 A229 L230 | K222-R226 WeakPolarHBondContact O-CG 3.09Å; K222-R226 PolarHBondContact O-N 3.13Å; Q223-R226 PolarHBondContact O-N 3.16Å; I224-R226 PolarHBondContact O-N 3.09Å; R226-A229 PolarHBondContact O-N 3.49Å; R226-L230 WeakPolarHBondContact O-CG 3.39Å; R226-L230 PolarHBondContact O-N 2.89Å |
| 227 | I | 73.9 | Confident | 79.6 | Confident | 39 Ų | 39 | 89.5 Ų | 89.5 | 20% | 0.2 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.2 | -48.2 | 178.7 | -71.6 | 168.8 | 0 | 0 | 0 | 111.1 | Q223 I224 R225 A229 L230 E231 F259 F263 | Q223-I227 WeakPolarHBondContact O-CB 3.43Å; Q223-I227 WeakPolarHBondContact O-CD1 3.42Å; Q223-I227 WeakPolarHBondContact O-CG1 3.37Å; Q223-I227 PolarHBondContact O-N 2.98Å; I224-I227 PolarHBondContact O-N 3.1Å; R225-I227 VanDerWaalsContact C-N 3.33Å; I227-A229 PolarHBondContact O-N 3.37Å; I227-L230 PolarHBondContact O-N 2.85Å; I227-L230 VanDerWaalsContact O-N 3.08Å; I227-E231 PolarHBondContact O-N 3.12Å; I227-F259 HydrophobicContact CB-CZ 4.37Å; I227-F259 HydrophobicContact CD1-CZ 3.92Å; I227-F259 HydrophobicContact CG1-CZ 3.97Å; I227-F259 HydrophobicContact CG2-CE1 3.26Å; I227-F259 HydrophobicContact CG2-CZ 3.51Å; I227-F263 HydrophobicContact CD1-CD2 4.44Å |
| 228 | S | 78.5 | Confident | 79.4 | Confident | 44 Ų | 44 | 87.8 Ų | 87.8 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.4 | -22.3 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | I224 R232 | I224-S228 PolarHBondContact O-N 3.03Å; I224-S228 PolarHBondContact O-OG 3.35Å; I224-S228 VanDerWaalsContact O-OG 3.12Å; S228-R232 VanDerWaalsContact O-CG 3.32Å; S228-R232 WeakPolarHBondContact O-CG 3.44Å; S228-R232 PolarHBondContact O-N 3.08Å; S228-R232 PolarHBondContact O-NE 3.37Å |
| 229 | A | 79.9 | Confident | 78.9 | Confident | 46 Ų | 46 | 84 Ų | 84 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74.8 | -41.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R225 R226 I227 R232 A233 | R225-A229 WeakPolarHBondContact O-CB 3.21Å; R225-A229 PolarHBondContact O-N 3.02Å; R226-A229 PolarHBondContact O-N 3.49Å; I227-A229 PolarHBondContact O-N 3.37Å; A229-R232 PolarHBondContact O-N 3.27Å; A229-A233 WeakPolarHBondContact O-CB 3.32Å; A229-A233 PolarHBondContact O-N 3.34Å |
| 230 | L | 81.3 | Confident | 78.4 | Confident | 123 Ų | 123 | 85.1 Ų | 85.1 | 64% | 0.644 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 175.1 | -71.3 | 170.3 | 0 | 0 | 0 | 112.2 | R226 I227 R232 A233 A234 | R226-L230 WeakPolarHBondContact O-CG 3.39Å; R226-L230 PolarHBondContact O-N 2.89Å; I227-L230 PolarHBondContact O-N 2.85Å; I227-L230 VanDerWaalsContact O-N 3.08Å; L230-R232 PolarHBondContact O-N 3.29Å; L230-A233 PolarHBondContact O-N 2.97Å; L230-A234 WeakPolarHBondContact O-CB 3.33Å; L230-A234 PolarHBondContact O-N 2.66Å |
| 231 | E | 79.9 | Confident | 78 | Confident | 60 Ų | 60 | 91.9 Ų | 91.9 | 28% | 0.28 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.8 | -170.4 | 180 | 168.6 | 0 | 0 | 111 | I227 A233 A234 V235 K260 | I227-E231 PolarHBondContact O-N 3.12Å; E231-A233 PolarHBondContact O-N 2.73Å; E231-A234 PolarHBondContact O-N 3.06Å; E231-V235 WeakPolarHBondContact O-CG2 3.42Å; E231-V235 PolarHBondContact O-N 3.34Å; E231-K260 WeakPolarHBondContact OE1-CE 3.09Å; E231-K260 IonicContact OE1-NZ 2.75Å; E231-K260 PolarHBondContact OE1-NZ 3.27Å |
| 232 | R | 80.3 | Confident | 77 | Confident | 179 Ų | 179 | 95.3 Ų | 95.3 | 68% | 0.675 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 175.1 | -76.7 | -177.7 | -72.4 | 154.7 | -4.9 | 112.6 | S228 A229 L230 H236 | S228-R232 VanDerWaalsContact O-CG 3.32Å; S228-R232 WeakPolarHBondContact O-CG 3.44Å; S228-R232 PolarHBondContact O-N 3.08Å; S228-R232 PolarHBondContact O-NE 3.37Å; A229-R232 PolarHBondContact O-N 3.27Å; L230-R232 PolarHBondContact O-N 3.29Å; R232-H236 WeakPolarHBondContact O-CB 3.48Å; R232-H236 PolarHBondContact O-N 3.15Å |
| 233 | A | 80.7 | Confident | 76.1 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A229 L230 E231 H236 A237 | A229-A233 WeakPolarHBondContact O-CB 3.32Å; A229-A233 PolarHBondContact O-N 3.34Å; L230-A233 PolarHBondContact O-N 2.97Å; E231-A233 PolarHBondContact O-N 2.73Å; A233-H236 PolarHBondContact O-N 3.17Å; A233-A237 WeakPolarHBondContact O-CB 3.49Å; A233-A237 PolarHBondContact O-N 3.39Å |
| 234 | A | 80.9 | Confident | 75.3 | Confident | 52 Ų | 52 | 96.7 Ų | 96.7 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L230 E231 H236 A237 K238 | L230-A234 WeakPolarHBondContact O-CB 3.33Å; L230-A234 PolarHBondContact O-N 2.66Å; E231-A234 PolarHBondContact O-N 3.06Å; A234-H236 VanDerWaalsContact C-N 3.34Å; A234-A237 PolarHBondContact O-N 3.17Å; A234-K238 PolarHBondContact O-N 3.17Å |
| 235 | V | 80.7 | Confident | 74.3 | Confident | 72 Ų | 72 | 97.3 Ų | 97.3 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 111 | E231 K238 N239 | E231-V235 WeakPolarHBondContact O-CG2 3.42Å; E231-V235 PolarHBondContact O-N 3.34Å; V235-K238 PolarHBondContact O-N 3.29Å; V235-N239 PolarHBondContact O-N 2.99Å |
| 236 | H | 77.5 | Confident | 73.6 | Confident | 129 Ų | 129 | 96.8 Ų | 96.8 | 60% | 0.597 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 177.4 | -167.2 | -76 | 0 | 0 | 0 | 112.1 | R232 A233 A234 K238 N239 C240 | R232-H236 WeakPolarHBondContact O-CB 3.48Å; R232-H236 PolarHBondContact O-N 3.15Å; A233-H236 PolarHBondContact O-N 3.17Å; A234-H236 VanDerWaalsContact C-N 3.34Å; H236-K238 VanDerWaalsContact C-N 3.33Å; H236-K238 PolarHBondContact O-N 3.4Å; H236-N239 PolarHBondContact O-N 2.77Å; H236-C240 PolarHBondContact O-N 2.79Å; H236-C240 VanDerWaalsContact O-N 3.11Å; H236-C240 PolarHBondContact O-SG 2.86Å; H236-C240 VanDerWaalsContact O-SG 3.39Å |
| 237 | A | 79.4 | Confident | 72.2 | Confident | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A233 A234 C240 Q241 | A233-A237 WeakPolarHBondContact O-CB 3.49Å; A233-A237 PolarHBondContact O-N 3.39Å; A234-A237 PolarHBondContact O-N 3.17Å; A237-C240 PolarHBondContact O-N 2.91Å; A237-Q241 PolarHBondContact O-N 3.43Å |
| 238 | K | 78.5 | Confident | 71 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 44% | 0.443 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.8 | -37.9 | 177.6 | -161.5 | 172.5 | -175.8 | 174.6 | 0 | 112.3 | A234 V235 H236 Q241 N242 | A234-K238 PolarHBondContact O-N 3.17Å; V235-K238 PolarHBondContact O-N 3.29Å; H236-K238 VanDerWaalsContact C-N 3.33Å; H236-K238 PolarHBondContact O-N 3.4Å; K238-Q241 PolarHBondContact O-N 3.43Å; K238-N242 PolarHBondContact O-N 2.76Å |
| 239 | N | 74.4 | Confident | 69.7 | Low | 100 Ų | 100 | 107 Ų | 107 | 54% | 0.535 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.2 | -39 | 175.3 | -79.7 | -6.8 | 0 | 0 | 0 | 112.5 | V235 H236 Q241 N242 T243 | V235-N239 PolarHBondContact O-N 2.99Å; H236-N239 PolarHBondContact O-N 2.77Å; N239-Q241 VanDerWaalsContact C-N 3.35Å; N239-Q241 PolarHBondContact O-N 3.38Å; N239-N242 PolarHBondContact O-N 2.9Å; N239-T243 PolarHBondContact O-OG1 3.48Å |
| 240 | C | 70.9 | Confident | 68.2 | Low | 69 Ų | 69 | 113.3 Ų | 113.3 | 47% | 0.466 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.7 | -33.4 | 176.2 | -67.2 | 0 | 0 | 0 | 0 | 113.2 | H236 A237 N242 T243 | H236-C240 PolarHBondContact O-N 2.79Å; H236-C240 VanDerWaalsContact O-N 3.11Å; H236-C240 PolarHBondContact O-SG 2.86Å; H236-C240 VanDerWaalsContact O-SG 3.39Å; A237-C240 PolarHBondContact O-N 2.91Å; C240-N242 VanDerWaalsContact C-N 3.34Å; C240-T243 PolarHBondContact O-N 3.13Å |
| 241 | Q | 66.4 | Low | 66.6 | Low | 147 Ų | 147 | 113.3 Ų | 113.3 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.3 | -35 | 175.7 | -78.1 | -179.8 | -12 | 0 | 0 | 112.5 | A237 K238 N239 T243 S244 | A237-Q241 PolarHBondContact O-N 3.43Å; K238-Q241 PolarHBondContact O-N 3.43Å; N239-Q241 VanDerWaalsContact C-N 3.35Å; N239-Q241 PolarHBondContact O-N 3.38Å; Q241-T243 VanDerWaalsContact C-N 3.27Å; Q241-T243 PolarHBondContact O-N 2.91Å; Q241-S244 PolarHBondContact O-N 3.35Å |
| 242 | N | 60.3 | Low | 65.1 | Low | 128 Ų | 128 | 115.3 Ų | 115.3 | 68% | 0.684 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.2 | -21.9 | 177.4 | -76.1 | -8.7 | 0 | 0 | 0 | 113.6 | K238 N239 C240 | K238-N242 PolarHBondContact O-N 2.76Å; N239-N242 PolarHBondContact O-N 2.9Å; C240-N242 VanDerWaalsContact C-N 3.34Å |
| 243 | T | 61.8 | Low | 63.5 | Low | 128 Ų | 128 | 113.6 Ų | 113.6 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -12.6 | -179.1 | -43.5 | 0 | 0 | 0 | 0 | 113.1 | N239 C240 Q241 | N239-T243 PolarHBondContact O-OG1 3.48Å; C240-T243 PolarHBondContact O-N 3.13Å; Q241-T243 VanDerWaalsContact C-N 3.27Å; Q241-T243 PolarHBondContact O-N 2.91Å |
| 244 | S | 60.7 | Low | 62.1 | Low | 113 Ų | 113 | 117.9 Ų | 117.9 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 2.5 | -167.6 | -142.7 | 0 | 0 | 0 | 0 | 116.5 | Q241 | Q241-S244 PolarHBondContact O-N 3.35Š|
| 245 | G | 53.2 | Low | 60.8 | Low | 54 Ų | 54 | 120 Ų | 120 | 56% | 0.557 | 67% | 0.668 | S | S | * | * | trans | -165 | 118.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R247 | G245-R247 PolarHBondContact O-N 3.38Š| ||
| 246 | N | 66.6 | Low | 59.4 | Low | 171 Ų | 171 | 120.2 Ų | 120.2 | 91% | 0.914 | 67% | 0.665 | S | S | * | * | trans | -64.8 | 103.1 | 166.6 | -161.9 | 18 | 0 | 0 | 0 | 109.5 | ||||
| 247 | R | 50.8 | Low | 58.3 | Low | 232 Ų | 232 | 117.3 Ų | 117.3 | 88% | 0.875 | 66% | 0.658 | S | S | * | * | trans | -168 | 124.9 | 158.6 | -110.4 | 165.6 | -172.2 | -171.4 | 1.8 | 113.5 | G245 | G245-R247 PolarHBondContact O-N 3.38Š| ||
| 248 | S | 48 | Very low | 57.1 | Low | 106 Ų | 106 | 120.3 Ų | 120.3 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | trans | 12.4 | 110.6 | 157.4 | 54.6 | 0 | 0 | 0 | 0 | 118.1 | M250 | S248-M250 PolarHBondContact O-N 3.44Å; S248-M250 VanDerWaalsContact O-N 3.07Å | ||
| 249 | S | 51.3 | Low | 55.9 | Low | 126 Ų | 126 | 120.6 Ų | 120.6 | 88% | 0.881 | 67% | 0.669 | S | S | * | * | trans | -55 | 103.8 | 162.4 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 250 | M | 48.3 | Very low | 54.9 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 88% | 0.877 | 66% | 0.661 | S | S | * | * | trans | -112 | 128.5 | 154.2 | -109.5 | 169.9 | 93.1 | 0 | 0 | 108.9 | S248 C252 | S248-M250 PolarHBondContact O-N 3.44Å; S248-M250 VanDerWaalsContact O-N 3.07Å; M250-C252 PolarHBondContact O-N 3.43Å | ||
| 251 | D | 48 | Very low | 54.1 | Low | 122 Ų | 122 | 122.9 Ų | 122.9 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | trans | -45.4 | 116.2 | -168.8 | -167.2 | 0.4 | 0 | 0 | 0 | 114 | Q253 | D251-Q253 VanDerWaalsContact OD1-CB 3.29Å; D251-Q253 WeakPolarHBondContact OD1-CB 3.17Å; D251-Q253 PolarHBondContact OD1-N 3.05Å | ||
| 252 | C | 48.4 | Very low | 53.5 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 69% | 0.689 | 65% | 0.651 | S | S | * | * | trans | -126.7 | 48.6 | 169.6 | -80.5 | 0 | 0 | 0 | 0 | 109.7 | M250 | M250-C252 PolarHBondContact O-N 3.43Š| ||
| 253 | Q | 47.4 | Very low | 53.3 | Low | 144 Ų | 144 | 114.3 Ų | 114.3 | 67% | 0.673 | 63% | 0.629 | S | S | * | * | trans | -100.5 | 0.5 | -174.6 | -140.9 | 122 | 11.8 | 0 | 0 | 115 | D251 | D251-Q253 VanDerWaalsContact OD1-CB 3.29Å; D251-Q253 WeakPolarHBondContact OD1-CB 3.17Å; D251-Q253 PolarHBondContact OD1-N 3.05Å | ||
| 254 | Q | 50.8 | Low | 52.8 | Low | 149 Ų | 149 | 115 Ų | 115 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -92.4 | -12.6 | -167.4 | -75.8 | -170.5 | -9.8 | 0 | 0 | 120.6 | N258 | Q254-N258 PolarHBondContact O-ND2 3.48Š|
| 255 | P | 52.4 | Low | 52.6 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 62% | 0.617 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83.2 | -31.3 | 177.8 | 2.4 | 11.2 | 0 | 0 | 0 | 114.1 | F259 | P255-F259 WeakPolarHBondContact O-CB 2.97Å; P255-F259 PolarHBondContact O-N 3.47Å |
| 256 | E | 52.1 | Low | 52.8 | Low | 78 Ų | 78 | 119.9 Ų | 119.9 | 36% | 0.364 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66 | -42.4 | -170.8 | -82.3 | -83.6 | 141.6 | 0 | 0 | 113.5 | K260 | E256-K260 WeakPolarHBondContact O-CB 3.35Å; E256-K260 WeakPolarHBondContact O-CD 3.27Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.43Å; E256-K260 PolarHBondContact O-N 3.33Å; E256-K260 VanDerWaalsContact O-N 3.15Å; E256-K260 IonicContact OE2-NZ 3.54Å; E256-K260 PolarHBondContact OE2-NZ 3.05Å |
| 257 | S | 54.2 | Low | 52.4 | Low | 67 Ų | 67 | 114.4 Ų | 114.4 | 47% | 0.469 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.2 | -41.9 | -176.6 | 59 | 0 | 0 | 0 | 0 | 112.4 | M261 | S257-M261 WeakPolarHBondContact O-CB 3.3Å; S257-M261 PolarHBondContact O-N 2.94Å |
| 258 | N | 54 | Low | 52.9 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 62% | 0.62 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.1 | -40.6 | 178.1 | -77.3 | -39.3 | 0 | 0 | 0 | 111.9 | Q254 M261 S262 | Q254-N258 PolarHBondContact O-ND2 3.48Å; N258-M261 PolarHBondContact O-N 2.95Å; N258-S262 PolarHBondContact O-N 3.04Å |
| 259 | F | 54.7 | Low | 53.5 | Low | 107 Ų | 107 | 109.2 Ų | 109.2 | 47% | 0.469 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.7 | -43.4 | 179 | -175.7 | -97.5 | 0 | 0 | 0 | 112.3 | I227 P255 M261 S262 F263 | I227-F259 HydrophobicContact CB-CZ 4.37Å; I227-F259 HydrophobicContact CD1-CZ 3.92Å; I227-F259 HydrophobicContact CG1-CZ 3.97Å; I227-F259 HydrophobicContact CG2-CE1 3.26Å; I227-F259 HydrophobicContact CG2-CZ 3.51Å; P255-F259 WeakPolarHBondContact O-CB 2.97Å; P255-F259 PolarHBondContact O-N 3.47Å; F259-M261 VanDerWaalsContact C-N 3.27Å; F259-M261 PolarHBondContact O-N 3.27Å; F259-S262 PolarHBondContact O-N 2.94Å; F259-F263 WeakPolarHBondContact O-CB 3.49Å; F259-F263 PolarHBondContact O-N 3.08Å |
| 260 | K | 53.6 | Low | 54 | Low | 84 Ų | 84 | 105.1 Ų | 105.1 | 37% | 0.365 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.2 | -36 | 171.9 | -78.3 | 169.2 | 171.5 | 151.3 | 0 | 112.8 | E231 E256 K264 | E231-K260 WeakPolarHBondContact OE1-CE 3.09Å; E231-K260 IonicContact OE1-NZ 2.75Å; E231-K260 PolarHBondContact OE1-NZ 3.27Å; E256-K260 WeakPolarHBondContact O-CB 3.35Å; E256-K260 WeakPolarHBondContact O-CD 3.27Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.43Å; E256-K260 PolarHBondContact O-N 3.33Å; E256-K260 VanDerWaalsContact O-N 3.15Å; E256-K260 IonicContact OE2-NZ 3.54Å; E256-K260 PolarHBondContact OE2-NZ 3.05Å; K260-K264 WeakPolarHBondContact O-CG 3.26Å; K260-K264 PolarHBondContact O-N 3.38Å; K260-K264 VanDerWaalsContact O-N 3.08Å |
| 261 | M | 53.2 | Low | 54.9 | Low | 134 Ų | 134 | 104 Ų | 104 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.5 | -45.1 | 178.4 | -156.2 | 80.6 | 77 | 0 | 0 | 112.3 | S257 N258 F259 F263 K264 R265 | S257-M261 WeakPolarHBondContact O-CB 3.3Å; S257-M261 PolarHBondContact O-N 2.94Å; N258-M261 PolarHBondContact O-N 2.95Å; F259-M261 VanDerWaalsContact C-N 3.27Å; F259-M261 PolarHBondContact O-N 3.27Å; M261-F263 VanDerWaalsContact C-N 3.29Å; M261-F263 PolarHBondContact O-N 3.21Å; M261-K264 PolarHBondContact O-N 3.35Å; M261-R265 PolarHBondContact O-N 3.03Å; M261-R265 VanDerWaalsContact O-N 3.16Å |
| 262 | S | 54.6 | Low | 55.7 | Low | 40 Ų | 40 | 100.1 Ų | 100.1 | 28% | 0.28 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 176.1 | -163.3 | 0 | 0 | 0 | 0 | 111.7 | N258 F259 R265 E266 | N258-S262 PolarHBondContact O-N 3.04Å; F259-S262 PolarHBondContact O-N 2.94Å; S262-R265 WeakPolarHBondContact O-CB 3.37Å; S262-R265 PolarHBondContact O-N 3.44Å; S262-R265 PolarHBondContact OG-NH2 3.21Å; S262-E266 PolarHBondContact O-N 3.43Å |
| 263 | F | 54.5 | Low | 56.6 | Low | 55 Ų | 55 | 96 Ų | 96 | 24% | 0.241 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 178 | 178 | -100.9 | 0 | 0 | 0 | 114 | I224 I227 F259 M261 R265 E266 T267 | I224-F263 HydrophobicContact CB-CE2 4.33Å; I224-F263 HydrophobicContact CB-CZ 4.15Å; I224-F263 HydrophobicContact CD1-CZ 4.18Å; I224-F263 HydrophobicContact CG1-CE2 3.67Å; I224-F263 HydrophobicContact CG1-CZ 3.59Å; I224-F263 HydrophobicContact CG2-CZ 3.91Å; I227-F263 HydrophobicContact CD1-CD2 4.44Å; F259-F263 WeakPolarHBondContact O-CB 3.49Å; F259-F263 PolarHBondContact O-N 3.08Å; M261-F263 VanDerWaalsContact C-N 3.29Å; M261-F263 PolarHBondContact O-N 3.21Å; F263-R265 PolarHBondContact O-N 3.37Å; F263-E266 PolarHBondContact O-N 3.28Å; F263-T267 PolarHBondContact O-N 3.18Å; F263-T267 PolarHBondContact O-OG1 3.24Å |
| 264 | K | 52.6 | Low | 57.5 | Low | 142 Ų | 142 | 92.4 Ų | 92.4 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.5 | -32.8 | 171.6 | -78.3 | 179.9 | 179.9 | -180 | 0 | 111.3 | K260 M261 K268 | K260-K264 WeakPolarHBondContact O-CG 3.26Å; K260-K264 PolarHBondContact O-N 3.38Å; K260-K264 VanDerWaalsContact O-N 3.08Å; M261-K264 PolarHBondContact O-N 3.35Å; K264-K268 VanDerWaalsContact O-CG 3.23Å; K264-K268 WeakPolarHBondContact O-CG 3.34Å; K264-K268 PolarHBondContact O-N 3.13Å |
| 265 | R | 55.9 | Low | 58.4 | Low | 165 Ų | 165 | 88.6 Ų | 88.6 | 62% | 0.623 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71 | -43.9 | 175.8 | -175 | 178.1 | 62.4 | 170.2 | -1.9 | 111.7 | M261 S262 F263 K268 V269 | M261-R265 PolarHBondContact O-N 3.03Å; M261-R265 VanDerWaalsContact O-N 3.16Å; S262-R265 WeakPolarHBondContact O-CB 3.37Å; S262-R265 PolarHBondContact O-N 3.44Å; S262-R265 PolarHBondContact OG-NH2 3.21Å; F263-R265 PolarHBondContact O-N 3.37Å; R265-K268 WeakPolarHBondContact O-CB 3.39Å; R265-K268 PolarHBondContact O-N 3.09Å; R265-V269 WeakPolarHBondContact O-CG2 3.37Å; R265-V269 PolarHBondContact O-N 3.49Å |
| 266 | E | 58.6 | Low | 59.4 | Low | 104 Ų | 104 | 84.9 Ų | 84.9 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 176.8 | -75.3 | 177.5 | -173.9 | 0 | 0 | 112.9 | S262 F263 K268 V269 L270 | S262-E266 PolarHBondContact O-N 3.43Å; F263-E266 PolarHBondContact O-N 3.28Å; E266-K268 VanDerWaalsContact C-N 3.3Å; E266-K268 PolarHBondContact O-N 2.89Å; E266-V269 PolarHBondContact O-N 2.95Å; E266-L270 PolarHBondContact O-N 3Å |
| 267 | T | 56.3 | Low | 60.3 | Low | 57 Ų | 57 | 82.2 Ų | 82.2 | 35% | 0.35 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.1 | -33 | 176.4 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | F263 L270 K271 | F263-T267 PolarHBondContact O-N 3.18Å; F263-T267 PolarHBondContact O-OG1 3.24Å; T267-L270 PolarHBondContact O-N 2.7Å; T267-K271 PolarHBondContact O-N 2.98Å; T267-K271 VanDerWaalsContact O-N 3.07Å |
| 268 | K | 62.3 | Low | 61.5 | Low | 146 Ų | 146 | 80.7 Ų | 80.7 | 64% | 0.635 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | 172.9 | -80.2 | 173.5 | -177.8 | -176.6 | 0 | 112 | K264 R265 E266 L270 K271 T272 | K264-K268 VanDerWaalsContact O-CG 3.23Å; K264-K268 WeakPolarHBondContact O-CG 3.34Å; K264-K268 PolarHBondContact O-N 3.13Å; R265-K268 WeakPolarHBondContact O-CB 3.39Å; R265-K268 PolarHBondContact O-N 3.09Å; E266-K268 VanDerWaalsContact C-N 3.3Å; E266-K268 PolarHBondContact O-N 2.89Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-L270 PolarHBondContact O-N 3.5Å; K268-K271 PolarHBondContact O-N 2.97Å; K268-T272 PolarHBondContact O-N 3.45Å; K268-T272 PolarHBondContact O-OG1 3.4Å |
| 269 | V | 60.6 | Low | 62.9 | Low | 83 Ų | 83 | 77 Ų | 77 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | R265 E266 T272 L273 | R265-V269 WeakPolarHBondContact O-CG2 3.37Å; R265-V269 PolarHBondContact O-N 3.49Å; E266-V269 PolarHBondContact O-N 2.95Å; V269-T272 PolarHBondContact O-N 3.4Å; V269-L273 HydrophobicContact CG1-CD1 4.21Å; V269-L273 VanDerWaalsContact O-CG 3.31Å; V269-L273 WeakPolarHBondContact O-CG 3.5Å; V269-L273 PolarHBondContact O-N 3.47Å |
| 270 | L | 62 | Low | 64.3 | Low | 39 Ų | 39 | 72 Ų | 72 | 20% | 0.204 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.3 | -68.1 | 170 | 0 | 0 | 0 | 112.8 | I124 I216 A220 E266 T267 K268 L273 S274 | I124-L270 HydrophobicContact CD1-CD2 4.01Å; I216-L270 HydrophobicContact CG2-CD2 3.47Å; I216-L270 VanDerWaalsContact CG2-CD2 3.47Å; A220-L270 HydrophobicContact CB-CD1 3.36Å; A220-L270 HydrophobicContact CB-CD2 4.5Å; E266-L270 PolarHBondContact O-N 3Å; T267-L270 PolarHBondContact O-N 2.7Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-L270 PolarHBondContact O-N 3.5Å; L270-L273 PolarHBondContact O-N 2.87Å; L270-S274 PolarHBondContact O-N 3.36Å; L270-S274 PolarHBondContact O-OG 2.73Å |
| 271 | K | 66.4 | Low | 65.7 | Low | 156 Ų | 156 | 69.9 Ų | 69.9 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 175.4 | -172.8 | 176.8 | -179.6 | 176.1 | 0 | 111.4 | T267 K268 S274 V275 | T267-K271 PolarHBondContact O-N 2.98Å; T267-K271 VanDerWaalsContact O-N 3.07Å; K268-K271 PolarHBondContact O-N 2.97Å; K271-S274 PolarHBondContact O-N 3.1Å; K271-V275 WeakPolarHBondContact O-CG2 3.36Å; K271-V275 PolarHBondContact O-N 3.47Å; K271-V275 VanDerWaalsContact O-N 3.15Å |
| 272 | T | 65.4 | Low | 67.3 | Low | 40 Ų | 40 | 67.9 Ų | 67.9 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | K268 V269 S274 V275 I276 F336 | K268-T272 PolarHBondContact O-N 3.45Å; K268-T272 PolarHBondContact O-OG1 3.4Å; V269-T272 PolarHBondContact O-N 3.4Å; T272-S274 PolarHBondContact O-N 3.21Å; T272-V275 WeakPolarHBondContact O-CB 3.43Å; T272-V275 PolarHBondContact O-N 3.22Å; T272-V275 VanDerWaalsContact O-N 3.15Å; T272-I276 WeakPolarHBondContact O-CG1 3.22Å; T272-I276 PolarHBondContact O-N 2.9Å; T272-I276 VanDerWaalsContact O-N 3.13Å; T272-F336 HydrophobicContact CG2-CB 3.97Å |
| 273 | L | 67.1 | Low | 68.8 | Low | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 178.1 | -72.2 | 177.3 | 0 | 0 | 0 | 112.5 | R120 I124 Y213 V269 L270 V275 I276 M277 | R120-L273 HydrophobicContact CB-CD1 4.42Å; R120-L273 HydrophobicContact CG-CD1 4.3Å; R120-L273 HydrophobicContact CG-CD2 4.01Å; I124-L273 HydrophobicContact CD1-CD1 4.42Å; Y213-L273 HydrophobicContact CE1-CB 3.76Å; Y213-L273 WeakPolarHBondContact CE1-O 3.37Å; V269-L273 HydrophobicContact CG1-CD1 4.21Å; V269-L273 VanDerWaalsContact O-CG 3.31Å; V269-L273 WeakPolarHBondContact O-CG 3.5Å; V269-L273 PolarHBondContact O-N 3.47Å; L270-L273 PolarHBondContact O-N 2.87Å; L273-V275 VanDerWaalsContact C-N 3.32Å; L273-V275 PolarHBondContact O-N 3.03Å; L273-I276 HydrophobicContact CD2-CD1 4.19Å; L273-I276 WeakPolarHBondContact O-CB 3.47Å; L273-I276 PolarHBondContact O-N 2.99Å; L273-M277 WeakPolarHBondContact O-CG 3.27Å; L273-M277 PolarHBondContact O-N 3.2Å |
| 274 | S | 65.8 | Low | 70.3 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 47% | 0.469 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -33 | 176.3 | -66.9 | 0 | 0 | 0 | 0 | 113.7 | L270 K271 T272 G278 | L270-S274 PolarHBondContact O-N 3.36Å; L270-S274 PolarHBondContact O-OG 2.73Å; K271-S274 PolarHBondContact O-N 3.1Å; T272-S274 PolarHBondContact O-N 3.21Å; S274-G278 PolarHBondContact O-N 3.28Å; S274-G278 VanDerWaalsContact O-N 3.11Å |
| 275 | V | 71.4 | Confident | 71.9 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 42% | 0.418 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | K271 T272 L273 M277 G278 V279 | K271-V275 WeakPolarHBondContact O-CG2 3.36Å; K271-V275 PolarHBondContact O-N 3.47Å; K271-V275 VanDerWaalsContact O-N 3.15Å; T272-V275 WeakPolarHBondContact O-CB 3.43Å; T272-V275 PolarHBondContact O-N 3.22Å; T272-V275 VanDerWaalsContact O-N 3.15Å; L273-V275 VanDerWaalsContact C-N 3.32Å; L273-V275 PolarHBondContact O-N 3.03Å; V275-M277 VanDerWaalsContact C-N 3.29Å; V275-M277 PolarHBondContact O-N 2.97Å; V275-G278 PolarHBondContact O-N 3.04Å; V275-V279 HydrophobicContact CG1-CG2 4.15Å; V275-V279 WeakPolarHBondContact O-CG2 3.25Å; V275-V279 PolarHBondContact O-N 3.46Å |
| 276 | I | 71.8 | Confident | 73.4 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56 | -46.9 | 177.2 | -42.4 | -163.1 | 0 | 0 | 0 | 110.7 | L113 T272 L273 F280 I333 | L113-I276 HydrophobicContact CD2-CG2 4.38Å; T272-I276 WeakPolarHBondContact O-CG1 3.22Å; T272-I276 PolarHBondContact O-N 2.9Å; T272-I276 VanDerWaalsContact O-N 3.13Å; L273-I276 HydrophobicContact CD2-CD1 4.19Å; L273-I276 WeakPolarHBondContact O-CB 3.47Å; L273-I276 PolarHBondContact O-N 2.99Å; I276-F280 WeakPolarHBondContact O-CB 3.5Å; I276-F280 PolarHBondContact O-N 3.01Å; I276-I333 HydrophobicContact CB-CG2 4.27Å; I276-I333 HydrophobicContact CD1-CG2 3.33Å; I276-I333 HydrophobicContact CG1-CG2 3.36Å; I276-I333 HydrophobicContact CG2-CD1 4.27Å; I276-I333 HydrophobicContact CG2-CG2 4.31Å |
| 277 | M | 72.5 | Confident | 74.6 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -41.3 | -178.5 | -54.4 | -58 | -83.3 | 0 | 0 | 112.5 | S117 M209 Y213 L273 V275 F280 V281 | S117-M277 WeakPolarHBondContact OG-CE 3.38Å; M209-M277 HydrophobicContact CB-CE 3.28Å; M209-M277 HydrophobicContact CE-CE 3.21Å; M209-M277 HydrophobicContact CE-SD 3.31Å; M209-M277 WeakPolarHBondContact CE-SD 3.28Å; M209-M277 HydrophobicContact CG-CE 3.6Å; M209-M277 HydrophobicContact SD-CE 4.19Å; Y213-M277 HydrophobicContact CD1-CE 4.47Å; Y213-M277 HydrophobicContact CD1-CG 3.56Å; Y213-M277 HydrophobicContact CD1-SD 4.47Å; Y213-M277 HydrophobicContact CD2-CE 3.19Å; Y213-M277 HydrophobicContact CD2-CG 3.93Å; Y213-M277 HydrophobicContact CD2-SD 3.89Å; Y213-M277 HydrophobicContact CE1-CE 4.41Å; Y213-M277 HydrophobicContact CE1-CG 3.24Å; Y213-M277 HydrophobicContact CE1-SD 3.92Å; Y213-M277 HydrophobicContact CE2-CE 3.13Å; Y213-M277 HydrophobicContact CE2-CG 3.64Å; Y213-M277 HydrophobicContact CE2-SD 3.25Å; Y213-M277 WeakPolarHBondContact CE2-SD 3.19Å; Y213-M277 HydrophobicContact CG-CE 3.86Å; Y213-M277 HydrophobicContact CG-CG 3.84Å; Y213-M277 HydrophobicContact CG-SD 4.41Å; Y213-M277 PolarHBondContact OH-SD 3.09Å; Y213-M277 VanDerWaalsContact OH-SD 3.34Å; L273-M277 WeakPolarHBondContact O-CG 3.27Å; L273-M277 PolarHBondContact O-N 3.2Å; V275-M277 VanDerWaalsContact C-N 3.29Å; V275-M277 PolarHBondContact O-N 2.97Å; M277-F280 PolarHBondContact O-N 3.35Å; M277-V281 WeakPolarHBondContact O-CG2 3.03Å; M277-V281 PolarHBondContact O-N 2.91Å |
| 278 | G | 78.7 | Confident | 75.9 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S274 V275 F280 V281 C282 | S274-G278 PolarHBondContact O-N 3.28Å; S274-G278 VanDerWaalsContact O-N 3.11Å; V275-G278 PolarHBondContact O-N 3.04Å; G278-F280 PolarHBondContact O-N 2.91Å; G278-V281 PolarHBondContact O-N 3.24Å; G278-C282 WeakPolarHBondContact O-CB 3.47Å; G278-C282 PolarHBondContact O-N 2.97Å; G278-C282 PolarHBondContact O-SG 3.4Å |
| 279 | V | 83.6 | Confident | 77 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | V275 V281 C282 C283 L329 I333 | V275-V279 HydrophobicContact CG1-CG2 4.15Å; V275-V279 WeakPolarHBondContact O-CG2 3.25Å; V275-V279 PolarHBondContact O-N 3.46Å; V279-V281 PolarHBondContact O-N 3.01Å; V279-C282 PolarHBondContact O-N 3.45Å; V279-C283 WeakPolarHBondContact O-CB 3.02Å; V279-C283 PolarHBondContact O-N 2.94Å; V279-C283 PolarHBondContact O-SG 3.06Å; V279-C283 VanDerWaalsContact O-SG 3.33Å; V279-L329 HydrophobicContact CG1-CB 4.23Å; V279-L329 HydrophobicContact CG1-CD1 3.47Å; V279-L329 VanDerWaalsContact CG1-CD1 3.47Å; V279-L329 HydrophobicContact CG1-CG 4.47Å; V279-I333 HydrophobicContact CG1-CD1 4.43Å |
| 280 | F | 82.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -50.6 | 178.8 | 172.7 | -105.1 | 0 | 0 | 0 | 113.1 | I110 L113 F202 V206 M209 I276 M277 G278 C283 W284 N326 | I110-F280 HydrophobicContact CB-CE2 4.4Å; I110-F280 HydrophobicContact CB-CZ 4.13Å; I110-F280 HydrophobicContact CG1-CE2 3.76Å; I110-F280 HydrophobicContact CG1-CZ 3.74Å; I110-F280 HydrophobicContact CG2-CE2 4.44Å; I110-F280 HydrophobicContact CG2-CZ 3.7Å; L113-F280 HydrophobicContact CD1-CB 4.5Å; L113-F280 HydrophobicContact CD1-CD2 3.3Å; L113-F280 HydrophobicContact CD1-CE2 3.64Å; L113-F280 HydrophobicContact CD1-CG 3.97Å; F202-F280 HydrophobicContact CD2-CZ 4.39Å; F202-F280 HydrophobicContact CE2-CE1 4.34Å; F202-F280 HydrophobicContact CE2-CZ 4.28Å; V206-F280 HydrophobicContact CG2-CE1 3.73Å; V206-F280 HydrophobicContact CG2-CZ 4.45Å; M209-F280 HydrophobicContact CE-CD1 3.59Å; M209-F280 HydrophobicContact CE-CE1 3.93Å; M209-F280 HydrophobicContact CE-CG 4.2Å; M209-F280 HydrophobicContact SD-CD1 4.15Å; M209-F280 HydrophobicContact SD-CE1 3.86Å; I276-F280 WeakPolarHBondContact O-CB 3.5Å; I276-F280 PolarHBondContact O-N 3.01Å; M277-F280 PolarHBondContact O-N 3.35Å; G278-F280 PolarHBondContact O-N 2.91Å; F280-C283 PolarHBondContact O-N 3.42Å; F280-W284 AromaticContact CD2-CD1 3.57Å; F280-W284 AromaticContact CE2-CD1 3.38Å; F280-W284 HydrophobicContact CE2-CG 4.1Å; F280-W284 AromaticContact CE2-NE1 3.82Å; F280-W284 PolarHBondContact O-N 2.03Å; F280-W284 VanDerWaalsContact O-N 3.13Å; F280-N326 WeakPolarHBondContact CA-OD1 3.26Å |
| 281 | V | 83.8 | Confident | 78.6 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 24% | 0.242 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 179.4 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | V206 M277 G278 V279 C283 W284 L285 | V206-V281 HydrophobicContact CG1-CG2 4.34Å; M277-V281 WeakPolarHBondContact O-CG2 3.03Å; M277-V281 PolarHBondContact O-N 2.91Å; G278-V281 PolarHBondContact O-N 3.24Å; V279-V281 PolarHBondContact O-N 3.01Å; V281-C283 VanDerWaalsContact C-N 3.32Å; V281-C283 PolarHBondContact O-N 3.06Å; V281-W284 PolarHBondContact O-N 3.15Å; V281-L285 HydrophobicContact CG1-CB 4.1Å; V281-L285 HydrophobicContact CG1-CD2 4.02Å; V281-L285 WeakPolarHBondContact O-CB 3.34Å; V281-L285 PolarHBondContact O-N 3.06Å |
| 282 | C | 86.3 | Confident | 79.3 | Confident | 91 Ų | 91 | 34.9 Ų | 34.9 | 62% | 0.615 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64 | -35.8 | 179.2 | -70.5 | 0 | 0 | 0 | 0 | 113.1 | G278 V279 P286 | G278-C282 WeakPolarHBondContact O-CB 3.47Å; G278-C282 PolarHBondContact O-N 2.97Å; G278-C282 PolarHBondContact O-SG 3.4Å; V279-C282 PolarHBondContact O-N 3.45Å; C282-P286 VanDerWaalsContact O-CD 3.27Å; C282-P286 WeakPolarHBondContact O-CD 3.46Å |
| 283 | C | 86.4 | Confident | 79.8 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.4 | -42 | 178.9 | -75.2 | 0 | 0 | 0 | 0 | 112.7 | V279 F280 V281 F322 G323 N326 | V279-C283 WeakPolarHBondContact O-CB 3.02Å; V279-C283 PolarHBondContact O-N 2.94Å; V279-C283 PolarHBondContact O-SG 3.06Å; V279-C283 VanDerWaalsContact O-SG 3.33Å; F280-C283 PolarHBondContact O-N 3.42Å; V281-C283 VanDerWaalsContact C-N 3.32Å; V281-C283 PolarHBondContact O-N 3.06Å; C283-F322 VanDerWaalsContact CB-O 3.32Å; C283-F322 WeakPolarHBondContact CB-O 3.08Å; C283-F322 CarbonylContact O-C 3.57Å; C283-G323 PolarHBondContact O-N 3.3Å; C283-N326 HydrophobicContact CB-CB 3.92Å |
| 284 | W | 85.7 | Confident | 80 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 4% | 0.038 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -99.2 | -30.4 | -170.2 | -78.3 | 101 | 0 | 0 | 0 | 114.8 | S106 F202 F280 V281 F287 F288 G323 N326 | S106-W284 WeakPolarHBondContact OG-CH2 3.34Å; F202-W284 HydrophobicContact CD2-CB 4.1Å; F202-W284 HydrophobicContact CE2-CB 3.43Å; F202-W284 VanDerWaalsContact CE2-CB 3.43Å; F202-W284 HydrophobicContact CE2-CG 4.45Å; F202-W284 HydrophobicContact CZ-CB 4.14Å; F280-W284 AromaticContact CD2-CD1 3.57Å; F280-W284 AromaticContact CE2-CD1 3.38Å; F280-W284 HydrophobicContact CE2-CG 4.1Å; F280-W284 AromaticContact CE2-NE1 3.82Å; F280-W284 PolarHBondContact O-N 2.03Å; F280-W284 VanDerWaalsContact O-N 3.13Å; V281-W284 PolarHBondContact O-N 3.15Å; W284-F287 HydrophobicContact CE3-CD1 4.06Å; W284-F287 HydrophobicContact CZ3-CD1 4.1Å; W284-F287 HydrophobicContact CZ3-CE1 4.36Å; W284-F287 PolarHBondContact O-N 2.99Å; W284-F288 HydrophobicContact CB-CD2 4.15Å; W284-F288 HydrophobicContact CB-CE2 4.26Å; W284-F288 HydrophobicContact CD2-CE2 4.07Å; W284-F288 AromaticContact CE3-CD2 4Å; W284-F288 HydrophobicContact CE3-CD2 4Å; W284-F288 AromaticContact CE3-CE2 3.33Å; W284-F288 HydrophobicContact CE3-CE2 3.33Å; W284-F288 HydrophobicContact CE3-CZ 4.16Å; W284-F288 HydrophobicContact CG-CE2 4.49Å; W284-F288 AromaticContact CZ3-CE2 3.97Å; W284-F288 HydrophobicContact CZ3-CE2 3.97Å; W284-F288 HydrophobicContact CZ3-CZ 4.37Å; W284-F288 WeakPolarHBondContact O-CD2 3.49Å; W284-F288 PolarHBondContact O-N 2.9Å; W284-F288 VanDerWaalsContact O-N 3.09Å; W284-G323 WeakPolarHBondContact CZ2-O 3.42Å; W284-G323 PolarHBondContact NE1-O 2.69Å; W284-N326 PolarHBondContact NE1-ND2 2.92Å |
| 285 | L | 87.3 | Confident | 80.2 | Confident | 64 Ų | 64 | 37.8 Ų | 37.8 | 34% | 0.335 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -44.2 | -175.7 | -178.6 | 65.9 | 0 | 0 | 0 | 113.4 | F202 V281 F287 F288 I289 | F202-L285 HydrophobicContact CE1-CD1 3.89Å; F202-L285 HydrophobicContact CZ-CB 4.08Å; F202-L285 HydrophobicContact CZ-CD1 4.11Å; V281-L285 HydrophobicContact CG1-CB 4.1Å; V281-L285 HydrophobicContact CG1-CD2 4.02Å; V281-L285 WeakPolarHBondContact O-CB 3.34Å; V281-L285 PolarHBondContact O-N 3.06Å; L285-F287 VanDerWaalsContact C-N 3.35Å; L285-F287 PolarHBondContact O-N 3.28Å; L285-F288 PolarHBondContact O-N 3.12Å; L285-I289 HydrophobicContact CD1-CD1 3.97Å; L285-I289 HydrophobicContact CD1-CG1 4.13Å; L285-I289 HydrophobicContact CD2-CD1 4.44Å; L285-I289 HydrophobicContact CG-CD1 3.77Å; L285-I289 HydrophobicContact CG-CG1 4.36Å; L285-I289 VanDerWaalsContact O-CG1 3.27Å; L285-I289 WeakPolarHBondContact O-CG1 3.41Å; L285-I289 PolarHBondContact O-N 2.73Å |
| 286 | P | 87.4 | Confident | 80.2 | Confident | 37 Ų | 37 | 40.5 Ų | 40.5 | 24% | 0.24 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 179.1 | -24.2 | 35.5 | 0 | 0 | 0 | 112.1 | C282 F288 I289 L290 F319 | C282-P286 VanDerWaalsContact O-CD 3.27Å; C282-P286 WeakPolarHBondContact O-CD 3.46Å; P286-F288 PolarHBondContact O-N 3.41Å; P286-I289 PolarHBondContact O-N 3.01Å; P286-L290 WeakPolarHBondContact O-CG 3.45Å; P286-L290 PolarHBondContact O-N 3.39Å; P286-L290 VanDerWaalsContact O-N 3.11Å; P286-F319 HydrophobicContact CB-CD1 3.36Å; P286-F319 HydrophobicContact CB-CE1 3.48Å; P286-F319 VanDerWaalsContact CB-CE1 3.48Å; P286-F319 HydrophobicContact CB-CG 3.99Å; P286-F319 HydrophobicContact CB-CZ 4.19Å; P286-F319 HydrophobicContact CG-CD1 4.17Å; P286-F319 HydrophobicContact CG-CE1 4.15Å |
| 287 | F | 83.7 | Confident | 80.2 | Confident | 26 Ų | 26 | 41.7 Ų | 41.7 | 11% | 0.114 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 178 | 169.6 | -102 | 0 | 0 | 0 | 112.1 | W284 L285 I289 L290 N291 F316 F319 V320 | W284-F287 HydrophobicContact CE3-CD1 4.06Å; W284-F287 HydrophobicContact CZ3-CD1 4.1Å; W284-F287 HydrophobicContact CZ3-CE1 4.36Å; W284-F287 PolarHBondContact O-N 2.99Å; L285-F287 VanDerWaalsContact C-N 3.35Å; L285-F287 PolarHBondContact O-N 3.28Å; F287-I289 VanDerWaalsContact C-N 3.31Å; F287-I289 PolarHBondContact O-N 3.28Å; F287-L290 PolarHBondContact O-N 3.04Å; F287-L290 VanDerWaalsContact O-N 3.14Å; F287-N291 HydrophobicContact CZ-CB 4.42Å; F287-N291 WeakPolarHBondContact O-CB 3.26Å; F287-N291 PolarHBondContact O-N 3.33Å; F287-F316 HydrophobicContact CD2-CE2 4.24Å; F287-F316 HydrophobicContact CD2-CZ 4.44Å; F287-F316 HydrophobicContact CE2-CE1 4.4Å; F287-F316 AromaticContact CE2-CE2 3.81Å; F287-F316 HydrophobicContact CE2-CE2 3.81Å; F287-F316 AromaticContact CE2-CZ 3.64Å; F287-F316 HydrophobicContact CE2-CZ 3.64Å; F287-F316 HydrophobicContact CZ-CZ 4.47Å; F287-F319 HydrophobicContact CB-CB 4.28Å; F287-V320 HydrophobicContact CD2-CB 4.48Å; F287-V320 HydrophobicContact CD2-CG2 3.61Å; F287-V320 HydrophobicContact CE2-CG2 3.42Å; F287-V320 VanDerWaalsContact CE2-CG2 3.42Å; F287-V320 HydrophobicContact CZ-CG2 4.46Å |
| 288 | F | 83.2 | Confident | 79.4 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.3 | -31.3 | -178 | -81.6 | -73.7 | 0 | 0 | 0 | 113.3 | I110 F202 Y203 W284 L285 P286 C292 | I110-F288 HydrophobicContact CD1-CE2 3.99Å; I110-F288 HydrophobicContact CD1-CZ 4.05Å; F202-F288 HydrophobicContact CB-CD1 3.72Å; F202-F288 HydrophobicContact CB-CD2 3.64Å; F202-F288 HydrophobicContact CB-CE1 3.6Å; F202-F288 HydrophobicContact CB-CE2 3.5Å; F202-F288 HydrophobicContact CB-CG 3.75Å; F202-F288 HydrophobicContact CB-CZ 3.51Å; F202-F288 HydrophobicContact CD1-CB 3.55Å; F202-F288 HydrophobicContact CD1-CD1 4.16Å; F202-F288 AromaticContact CD1-CD2 3.52Å; F202-F288 HydrophobicContact CD1-CD2 3.52Å; F202-F288 HydrophobicContact CD1-CE2 4.25Å; F202-F288 AromaticContact CD1-CG 3.46Å; F202-F288 HydrophobicContact CD1-CG 3.46Å; F202-F288 VanDerWaalsContact CD1-CG 3.46Å; F202-F288 AromaticContact CD2-CD2 3.26Å; F202-F288 HydrophobicContact CD2-CD2 3.26Å; F202-F288 AromaticContact CD2-CE2 3.33Å; F202-F288 HydrophobicContact CD2-CE2 3.33Å; F202-F288 HydrophobicContact CD2-CG 4.07Å; F202-F288 HydrophobicContact CD2-CZ 4.21Å; F202-F288 HydrophobicContact CE1-CB 3.75Å; F202-F288 AromaticContact CE1-CD2 3.91Å; F202-F288 HydrophobicContact CE1-CD2 3.91Å; F202-F288 HydrophobicContact CE1-CG 4.02Å; F202-F288 AromaticContact CE2-CD2 3.68Å; F202-F288 HydrophobicContact CE2-CD2 3.68Å; F202-F288 HydrophobicContact CE2-CE2 4.08Å; F202-F288 HydrophobicContact CG-CB 4.11Å; F202-F288 HydrophobicContact CG-CD1 4.01Å; F202-F288 AromaticContact CG-CD2 3.16Å; F202-F288 HydrophobicContact CG-CD2 3.16Å; F202-F288 HydrophobicContact CG-CE1 4.24Å; F202-F288 AromaticContact CG-CE2 3.44Å; F202-F288 HydrophobicContact CG-CE2 3.44Å; F202-F288 VanDerWaalsContact CG-CE2 3.44Å; F202-F288 AromaticContact CG-CG 3.49Å; F202-F288 HydrophobicContact CG-CG 3.49Å; F202-F288 VanDerWaalsContact CG-CG 3.49Å; F202-F288 AromaticContact CG-CZ 3.99Å; F202-F288 HydrophobicContact CG-CZ 3.99Å; F202-F288 HydrophobicContact CZ-CB 4.46Å; F202-F288 AromaticContact CZ-CD2 3.98Å; F202-F288 HydrophobicContact CZ-CD2 3.98Å; Y203-F288 PolarHBondContact OH-O 3.11Å; W284-F288 HydrophobicContact CB-CD2 4.15Å; W284-F288 HydrophobicContact CB-CE2 4.26Å; W284-F288 HydrophobicContact CD2-CE2 4.07Å; W284-F288 AromaticContact CE3-CD2 4Å; W284-F288 HydrophobicContact CE3-CD2 4Å; W284-F288 AromaticContact CE3-CE2 3.33Å; W284-F288 HydrophobicContact CE3-CE2 3.33Å; W284-F288 HydrophobicContact CE3-CZ 4.16Å; W284-F288 HydrophobicContact CG-CE2 4.49Å; W284-F288 AromaticContact CZ3-CE2 3.97Å; W284-F288 HydrophobicContact CZ3-CE2 3.97Å; W284-F288 HydrophobicContact CZ3-CZ 4.37Å; W284-F288 WeakPolarHBondContact O-CD2 3.49Å; W284-F288 PolarHBondContact O-N 2.9Å; W284-F288 VanDerWaalsContact O-N 3.09Å; L285-F288 PolarHBondContact O-N 3.12Å; P286-F288 PolarHBondContact O-N 3.41Å; F288-C292 PolarHBondContact O-N 3.06Å; F288-C292 VanDerWaalsContact O-N 3.08Å; F288-C292 PolarHBondContact O-SG 2.97Å |
| 289 | I | 85 | Confident | 78.3 | Confident | 72 Ų | 72 | 49 Ų | 49 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 170.5 | -70.2 | 168 | 0 | 0 | 0 | 109.8 | L285 P286 F287 N291 C292 M293 | L285-I289 HydrophobicContact CD1-CD1 3.97Å; L285-I289 HydrophobicContact CD1-CG1 4.13Å; L285-I289 HydrophobicContact CD2-CD1 4.44Å; L285-I289 HydrophobicContact CG-CD1 3.77Å; L285-I289 HydrophobicContact CG-CG1 4.36Å; L285-I289 VanDerWaalsContact O-CG1 3.27Å; L285-I289 WeakPolarHBondContact O-CG1 3.41Å; L285-I289 PolarHBondContact O-N 2.73Å; P286-I289 PolarHBondContact O-N 3.01Å; F287-I289 VanDerWaalsContact C-N 3.31Å; F287-I289 PolarHBondContact O-N 3.28Å; I289-N291 PolarHBondContact O-N 2.84Å; I289-C292 PolarHBondContact O-N 3.42Å; I289-M293 HydrophobicContact CG2-CG 4.32Å; I289-M293 HydrophobicContact CG2-SD 3.65Å; I289-M293 WeakPolarHBondContact O-CB 3.32Å; I289-M293 VanDerWaalsContact O-CG 3.3Å; I289-M293 WeakPolarHBondContact O-CG 3.25Å; I289-M293 PolarHBondContact O-N 3.37Å |
| 290 | L | 78.4 | Confident | 76.4 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 179.2 | -61.2 | 177.1 | 0 | 0 | 0 | 111.8 | P286 F287 C292 M293 I294 I311 F316 F319 | P286-L290 WeakPolarHBondContact O-CG 3.45Å; P286-L290 PolarHBondContact O-N 3.39Å; P286-L290 VanDerWaalsContact O-N 3.11Å; F287-L290 PolarHBondContact O-N 3.04Å; F287-L290 VanDerWaalsContact O-N 3.14Å; L290-C292 PolarHBondContact O-N 3.48Å; L290-M293 PolarHBondContact O-N 3.16Å; L290-I294 HydrophobicContact CB-CD1 4.26Å; L290-I294 WeakPolarHBondContact O-CB 3.25Å; L290-I294 VanDerWaalsContact O-CG1 3.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.37Å; L290-I294 PolarHBondContact O-N 3.43Å; L290-I311 HydrophobicContact CD2-CD1 3.48Å; L290-I311 VanDerWaalsContact CD2-CD1 3.48Å; L290-I311 HydrophobicContact CD2-CG1 4.13Å; L290-F316 HydrophobicContact CB-CD2 4.35Å; L290-F319 HydrophobicContact CD1-CB 4.18Å; L290-F319 HydrophobicContact CD1-CD2 3.19Å; L290-F319 HydrophobicContact CD1-CE2 3.77Å; L290-F319 HydrophobicContact CD1-CG 3.98Å; L290-F319 HydrophobicContact CG-CD2 4.47Å |
| 291 | N | 78.3 | Confident | 74.6 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -31.4 | 177 | -168.5 | 57.3 | 0 | 0 | 0 | 112.6 | S198 F287 I289 P295 | S198-N291 PolarHBondContact OG-ND2 3.08Å; F287-N291 HydrophobicContact CZ-CB 4.42Å; F287-N291 WeakPolarHBondContact O-CB 3.26Å; F287-N291 PolarHBondContact O-N 3.33Å; I289-N291 PolarHBondContact O-N 2.84Å; N291-P295 WeakPolarHBondContact O-CD 2.85Å; N291-P295 WeakPolarHBondContact O-CG 3.27Å |
| 292 | C | 80.1 | Confident | 72.8 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -82.3 | -28.1 | 173.7 | -65.1 | 0 | 0 | 0 | 0 | 113 | F288 I289 L290 F296 | F288-C292 PolarHBondContact O-N 3.06Å; F288-C292 VanDerWaalsContact O-N 3.08Å; F288-C292 PolarHBondContact O-SG 2.97Å; I289-C292 PolarHBondContact O-N 3.42Å; L290-C292 PolarHBondContact O-N 3.48Å; C292-F296 WeakPolarHBondContact O-CD2 2.92Å; C292-F296 VanDerWaalsContact O-CE2 3.26Å; C292-F296 WeakPolarHBondContact O-CE2 3.28Å |
| 293 | M | 77.3 | Confident | 70.6 | Confident | 100 Ų | 100 | 65 Ų | 65 | 49% | 0.493 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -83.4 | -42 | -177.6 | -74.2 | -178.7 | 66.8 | 0 | 0 | 113.4 | I289 L290 P295 F296 C297 | I289-M293 HydrophobicContact CG2-CG 4.32Å; I289-M293 HydrophobicContact CG2-SD 3.65Å; I289-M293 WeakPolarHBondContact O-CB 3.32Å; I289-M293 VanDerWaalsContact O-CG 3.3Å; I289-M293 WeakPolarHBondContact O-CG 3.25Å; I289-M293 PolarHBondContact O-N 3.37Å; L290-M293 PolarHBondContact O-N 3.16Å; M293-P295 VanDerWaalsContact C-CD 3.48Å; M293-F296 PolarHBondContact O-N 3.14Å; M293-C297 PolarHBondContact O-N 2.86Å |
| 294 | I | 71.6 | Confident | 68.6 | Low | 62 Ų | 62 | 74.5 Ų | 74.5 | 32% | 0.318 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -54.2 | -42 | -175.5 | -72.3 | 163.6 | 0 | 0 | 0 | 112.8 | L290 F296 C297 I311 F316 | L290-I294 HydrophobicContact CB-CD1 4.26Å; L290-I294 WeakPolarHBondContact O-CB 3.25Å; L290-I294 VanDerWaalsContact O-CG1 3.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.37Å; L290-I294 PolarHBondContact O-N 3.43Å; I294-F296 PolarHBondContact O-N 3.41Å; I294-F296 VanDerWaalsContact O-N 3.14Å; I294-C297 VanDerWaalsContact O-CB 3.26Å; I294-C297 WeakPolarHBondContact O-CB 3.47Å; I294-C297 PolarHBondContact O-N 3.02Å; I294-I311 HydrophobicContact CG1-CD1 4.35Å; I294-F316 HydrophobicContact CD1-CD2 3.29Å; I294-F316 HydrophobicContact CD1-CE2 3.53Å; I294-F316 HydrophobicContact CD1-CG 4.18Å |
| 295 | P | 69.6 | Low | 66.6 | Low | 22 Ų | 22 | 78.3 Ų | 78.3 | 14% | 0.143 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -64.1 | -20.6 | 178.7 | -23.3 | 34.5 | 0 | 0 | 0 | 114.3 | R191 A194 N291 M293 | R191-P295 HydrophobicContact CB-CB 4.15Å; R191-P295 HydrophobicContact CG-CB 3.58Å; R191-P295 WeakPolarHBondContact CG-O 3.39Å; R191-P295 PolarHBondContact NE-O 3.4Å; A194-P295 HydrophobicContact CB-CG 3.7Å; N291-P295 WeakPolarHBondContact O-CD 2.85Å; N291-P295 WeakPolarHBondContact O-CG 3.27Å; M293-P295 VanDerWaalsContact C-CD 3.48Å |
| 296 | F | 71.4 | Confident | 64.5 | Low | 127 Ų | 127 | 79.5 Ų | 79.5 | 56% | 0.557 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -93.3 | -4.2 | 175.8 | -61.8 | -81.2 | 0 | 0 | 0 | 113.5 | I195 C292 M293 I294 E298 | I195-F296 HydrophobicContact CD1-CE2 3.66Å; I195-F296 HydrophobicContact CD1-CZ 3.39Å; I195-F296 HydrophobicContact CG1-CE2 4.17Å; I195-F296 HydrophobicContact CG1-CZ 4.38Å; C292-F296 WeakPolarHBondContact O-CD2 2.92Å; C292-F296 VanDerWaalsContact O-CE2 3.26Å; C292-F296 WeakPolarHBondContact O-CE2 3.28Å; M293-F296 PolarHBondContact O-N 3.14Å; I294-F296 PolarHBondContact O-N 3.41Å; I294-F296 VanDerWaalsContact O-N 3.14Å; F296-E298 PolarHBondContact O-N 2.83Å |
| 297 | C | 70.4 | Confident | 62.5 | Low | 42 Ų | 42 | 84.7 Ų | 84.7 | 28% | 0.284 | 48% | 0.482 | S | S | . | . | trans | -79.1 | 74.6 | 170.3 | -80.6 | 0 | 0 | 0 | 0 | 109.9 | M293 I294 C310 | M293-C297 PolarHBondContact O-N 2.86Å; I294-C297 VanDerWaalsContact O-CB 3.26Å; I294-C297 WeakPolarHBondContact O-CB 3.47Å; I294-C297 PolarHBondContact O-N 3.02Å; C297-C310 HydrophobicContact CB-CB 3.23Å; C297-C310 WeakPolarHBondContact CB-SG 3.28Å; C297-C310 WeakPolarHBondContact SG-CB 3.46Å; C297-C310 CovalentContact SG-SG 2.02Å; C297-C310 PolarHBondContact SG-SG 3.02Å | ||
| 298 | E | 56.9 | Low | 60.8 | Low | 114 Ų | 114 | 87.9 Ų | 87.9 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | trans | -87.6 | 135.4 | 175.1 | -156.2 | 155.6 | -141.6 | 0 | 0 | 109 | R191 F296 T300 | R191-E298 IonicContact CZ-OE1 2.67Å; R191-E298 IonicContact CZ-OE2 3.5Å; R191-E298 IonicContact NH1-OE1 3.48Å; R191-E298 PolarHBondContact NH1-OE1 2.75Å; R191-E298 IonicContact NH1-OE2 2.76Å; R191-E298 PolarHBondContact NH1-OE2 3.48Å; R191-E298 IonicContact NH2-OE1 2.69Å; R191-E298 PolarHBondContact NH2-OE1 2.69Å; R191-E298 IonicContact NH2-OE2 3.89Å; R191-E298 PolarHBondContact NH2-OE2 3.14Å; R191-E298 VanDerWaalsContact NH2-OE2 3.13Å; F296-E298 PolarHBondContact O-N 2.83Å; E298-T300 VanDerWaalsContact C-N 3.31Å; E298-T300 PolarHBondContact O-N 3.11Å | ||
| 299 | P | 55.4 | Low | 59.3 | Low | 97 Ų | 97 | 96.3 Ų | 96.3 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | trans | -69.4 | 92.2 | 171.7 | 27 | -30.2 | 0 | 0 | 0 | 108.4 | Q301 P308 | P299-Q301 VanDerWaalsContact C-N 3.34Å; P299-Q301 PolarHBondContact O-N 3.01Å; P299-P308 HydrophobicContact CB-CB 4.46Å | ||
| 300 | T | 44.3 | Very low | 58.4 | Low | 127 Ų | 127 | 95.5 Ų | 95.5 | 78% | 0.779 | 54% | 0.542 | S | S | * | . | trans | -66.2 | 93.9 | 170.7 | 37.5 | 0 | 0 | 0 | 0 | 109.4 | E298 | E298-T300 VanDerWaalsContact C-N 3.31Å; E298-T300 PolarHBondContact O-N 3.11Å | ||
| 301 | Q | 43.2 | Very low | 57.8 | Low | 159 Ų | 159 | 97.4 Ų | 97.4 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | trans | 60.1 | 138 | 168.2 | -68.4 | -88.7 | 7.3 | 0 | 0 | 116.7 | P299 S303 | P299-Q301 VanDerWaalsContact C-N 3.34Å; P299-Q301 PolarHBondContact O-N 3.01Å; Q301-S303 PolarHBondContact O-N 2.02Å | ||
| 302 | P | 47.3 | Very low | 57.6 | Low | 128 Ų | 128 | 99.8 Ų | 99.8 | 83% | 0.831 | 57% | 0.57 | S | S | * | * | trans | -76.8 | 64.6 | 170.1 | 33.8 | -33 | 0 | 0 | 0 | 110.3 | K304 | P302-K304 PolarHBondContact O-N 3.38Š| ||
| 303 | S | 40.5 | Very low | 57.2 | Low | 93 Ų | 93 | 102.2 Ų | 102.2 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | trans | -95.2 | 89.7 | 167.2 | 57 | 0 | 0 | 0 | 0 | 109.6 | Q301 | Q301-S303 PolarHBondContact O-N 2.02Š| ||
| 304 | K | 43.3 | Very low | 57.1 | Low | 210 Ų | 210 | 100.3 Ų | 100.3 | 91% | 0.913 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 39.4 | 95.2 | 157.1 | -67.5 | -179.5 | 176.6 | 177.6 | 0 | 116.4 | P302 | P302-K304 PolarHBondContact O-N 3.38Š|
| 305 | G | 43.9 | Very low | 57.5 | Low | 90 Ų | 90 | 100.2 Ų | 100.2 | 93% | 0.928 | 58% | 0.583 | S | S | * | * | S | Bend | trans | 91.5 | 8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 306 | A | 44 | Very low | 57.8 | Low | 88 Ų | 88 | 100.3 Ų | 100.3 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | trans | -108.2 | 106.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 307 | E | 45.2 | Very low | 58.2 | Low | 147 Ų | 147 | 94.7 Ų | 94.7 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | trans | -44.2 | 130.5 | 162.7 | -74.5 | -75.9 | 140.2 | 0 | 0 | 108.9 | F309 | E307-F309 HydrophobicContact CB-CD2 3.89Å; E307-F309 HydrophobicContact CB-CE2 3.92Å; E307-F309 PolarHBondContact O-N 3.06Å | ||
| 308 | P | 47.9 | Very low | 58.8 | Low | 92 Ų | 92 | 95 Ų | 95 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | trans | -67.2 | 88.9 | 171.2 | 27.9 | -29.8 | 0 | 0 | 0 | 107.6 | P299 C310 | P299-P308 HydrophobicContact CB-CB 4.46Å; P308-C310 PolarHBondContact O-N 3.25Å | ||
| 309 | F | 52.2 | Low | 60.2 | Low | 192 Ų | 192 | 92.3 Ų | 92.3 | 84% | 0.842 | 54% | 0.544 | S | S | * | . | trans | -69.4 | 79.5 | 178.4 | -95.6 | -85.7 | 0 | 0 | 0 | 109.9 | E307 | E307-F309 HydrophobicContact CB-CD2 3.89Å; E307-F309 HydrophobicContact CB-CE2 3.92Å; E307-F309 PolarHBondContact O-N 3.06Å | ||
| 310 | C | 64.6 | Low | 61.5 | Low | 56 Ų | 56 | 88.4 Ų | 88.4 | 38% | 0.378 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -126.2 | 76.7 | 170.1 | -91.3 | 0 | 0 | 0 | 0 | 109.7 | C297 P308 | C297-C310 HydrophobicContact CB-CB 3.23Å; C297-C310 WeakPolarHBondContact CB-SG 3.28Å; C297-C310 WeakPolarHBondContact SG-CB 3.46Å; C297-C310 CovalentContact SG-SG 2.02Å; C297-C310 PolarHBondContact SG-SG 3.02Å; P308-C310 PolarHBondContact O-N 3.25Å |
| 311 | I | 67.4 | Low | 63.6 | Low | 60 Ų | 60 | 83.1 Ų | 83.1 | 31% | 0.308 | 48% | 0.484 | S | S | . | . | trans | 59 | 122.3 | 167.8 | -57.6 | 138.2 | 0 | 0 | 0 | 114 | L290 I294 T315 | L290-I311 HydrophobicContact CD2-CD1 3.48Å; L290-I311 VanDerWaalsContact CD2-CD1 3.48Å; L290-I311 HydrophobicContact CD2-CG1 4.13Å; I294-I311 HydrophobicContact CG1-CD1 4.35Å; I311-T315 HydrophobicContact CG2-CG2 3.84Å | ||
| 312 | S | 74.1 | Confident | 65.6 | Low | 67 Ų | 67 | 80.7 Ų | 80.7 | 47% | 0.469 | 47% | 0.472 | S | S | . | . | trans | -59.8 | 139.8 | 173.2 | 166.1 | 0 | 0 | 0 | 0 | 111 | T314 T315 F316 | S312-T314 PolarHBondContact O-N 3.26Å; S312-T314 PolarHBondContact OG-N 3.18Å; S312-T315 WeakPolarHBondContact O-CA 3.24Å; S312-T315 VanDerWaalsContact O-CB 3.29Å; S312-T315 WeakPolarHBondContact O-CB 3.24Å; S312-T315 PolarHBondContact O-N 3.42Å; S312-F316 PolarHBondContact O-N 3.43Å | ||
| 313 | S | 69.6 | Low | 67.4 | Low | 74 Ų | 74 | 74.6 Ų | 74.6 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -50.4 | -41.1 | 175 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | T315 F316 D317 | S313-T315 PolarHBondContact O-N 3.06Å; S313-F316 WeakPolarHBondContact O-CB 3.31Å; S313-F316 PolarHBondContact O-N 3.49Å; S313-D317 PolarHBondContact O-N 3.4Å; S313-D317 VanDerWaalsContact O-OD2 3.09Å |
| 314 | T | 75.4 | Confident | 69.6 | Low | 59 Ų | 59 | 70.4 Ų | 70.4 | 36% | 0.362 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 175.6 | -46 | 0 | 0 | 0 | 0 | 112.7 | F21 S312 V318 | F21-T314 HydrophobicContact CE1-CG2 4.46Å; F21-T314 HydrophobicContact CZ-CG2 3.86Å; S312-T314 PolarHBondContact O-N 3.26Å; S312-T314 PolarHBondContact OG-N 3.18Å; T314-V318 WeakPolarHBondContact O-CB 3.2Å; T314-V318 WeakPolarHBondContact O-CG2 3.38Å; T314-V318 PolarHBondContact O-N 2.88Å |
| 315 | T | 79.8 | Confident | 71.8 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 37% | 0.368 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 177.8 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | I311 S312 S313 F319 | I311-T315 HydrophobicContact CG2-CG2 3.84Å; S312-T315 WeakPolarHBondContact O-CA 3.24Å; S312-T315 VanDerWaalsContact O-CB 3.29Å; S312-T315 WeakPolarHBondContact O-CB 3.24Å; S312-T315 PolarHBondContact O-N 3.42Å; S313-T315 PolarHBondContact O-N 3.06Å; T315-F319 HydrophobicContact CG2-CD2 3.93Å; T315-F319 HydrophobicContact CG2-CE2 3.6Å; T315-F319 WeakPolarHBondContact O-CD2 3.42Å; T315-F319 PolarHBondContact O-N 2.85Å |
| 316 | F | 77.8 | Confident | 74 | Confident | 24 Ų | 24 | 57 Ų | 57 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 175 | -178.7 | -100.4 | 0 | 0 | 0 | 111.3 | F287 L290 I294 S312 S313 V318 F319 V320 | F287-F316 HydrophobicContact CD2-CE2 4.24Å; F287-F316 HydrophobicContact CD2-CZ 4.44Å; F287-F316 HydrophobicContact CE2-CE1 4.4Å; F287-F316 AromaticContact CE2-CE2 3.81Å; F287-F316 HydrophobicContact CE2-CE2 3.81Å; F287-F316 AromaticContact CE2-CZ 3.64Å; F287-F316 HydrophobicContact CE2-CZ 3.64Å; F287-F316 HydrophobicContact CZ-CZ 4.47Å; L290-F316 HydrophobicContact CB-CD2 4.35Å; I294-F316 HydrophobicContact CD1-CD2 3.29Å; I294-F316 HydrophobicContact CD1-CE2 3.53Å; I294-F316 HydrophobicContact CD1-CG 4.18Å; S312-F316 PolarHBondContact O-N 3.43Å; S313-F316 WeakPolarHBondContact O-CB 3.31Å; S313-F316 PolarHBondContact O-N 3.49Å; F316-V318 VanDerWaalsContact C-N 3.35Å; F316-V318 PolarHBondContact O-N 3.02Å; F316-F319 PolarHBondContact O-N 3.35Å; F316-F319 VanDerWaalsContact O-N 3.11Å; F316-V320 HydrophobicContact CD1-CG2 4.18Å; F316-V320 HydrophobicContact CE1-CG2 3.92Å; F316-V320 HydrophobicContact CZ-CG2 4.31Å; F316-V320 WeakPolarHBondContact O-CG2 3.45Å; F316-V320 PolarHBondContact O-N 3.45Å |
| 317 | D | 78.2 | Confident | 76.1 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 179 | -68.4 | -50 | 0 | 0 | 0 | 112 | K80 S313 F319 V320 W321 | K80-D317 WeakPolarHBondContact CE-OD1 3.46Å; K80-D317 IonicContact NZ-OD1 3Å; K80-D317 PolarHBondContact NZ-OD1 2.9Å; S313-D317 PolarHBondContact O-N 3.4Å; S313-D317 VanDerWaalsContact O-OD2 3.09Å; D317-F319 VanDerWaalsContact C-N 3.31Å; D317-F319 PolarHBondContact O-N 3.03Å; D317-V320 WeakPolarHBondContact O-CB 3.2Å; D317-V320 PolarHBondContact O-N 3.45Å; D317-V320 VanDerWaalsContact O-N 3.15Å; D317-W321 HydrophobicContact CB-CZ2 3.97Å; D317-W321 PolarHBondContact O-N 2.84Å; D317-W321 PolarHBondContact O-NE1 3.16Å |
| 318 | V | 84.6 | Confident | 78.4 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 173.5 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | T314 F316 V320 W321 F322 | T314-V318 WeakPolarHBondContact O-CB 3.2Å; T314-V318 WeakPolarHBondContact O-CG2 3.38Å; T314-V318 PolarHBondContact O-N 2.88Å; F316-V318 VanDerWaalsContact C-N 3.35Å; F316-V318 PolarHBondContact O-N 3.02Å; V318-V320 VanDerWaalsContact C-N 3.34Å; V318-V320 PolarHBondContact O-N 3.38Å; V318-W321 HydrophobicContact CG2-CE3 4.11Å; V318-W321 HydrophobicContact CG2-CH2 4.45Å; V318-W321 HydrophobicContact CG2-CZ3 3.87Å; V318-W321 WeakPolarHBondContact O-CB 3.41Å; V318-W321 PolarHBondContact O-N 2.75Å; V318-W321 VanDerWaalsContact O-N 3.13Å; V318-F322 HydrophobicContact CG1-CD2 3.93Å; V318-F322 HydrophobicContact CG1-CE2 3.92Å; V318-F322 WeakPolarHBondContact O-CD2 3.41Å; V318-F322 PolarHBondContact O-N 2.83Å |
| 319 | F | 84.7 | Confident | 80.4 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.7 | -29.3 | 179 | -72.7 | -59.2 | 0 | 0 | 0 | 113.5 | P286 F287 L290 T315 F316 D317 W321 F322 G323 | P286-F319 HydrophobicContact CB-CD1 3.36Å; P286-F319 HydrophobicContact CB-CE1 3.48Å; P286-F319 VanDerWaalsContact CB-CE1 3.48Å; P286-F319 HydrophobicContact CB-CG 3.99Å; P286-F319 HydrophobicContact CB-CZ 4.19Å; P286-F319 HydrophobicContact CG-CD1 4.17Å; P286-F319 HydrophobicContact CG-CE1 4.15Å; F287-F319 HydrophobicContact CB-CB 4.28Å; L290-F319 HydrophobicContact CD1-CB 4.18Å; L290-F319 HydrophobicContact CD1-CD2 3.19Å; L290-F319 HydrophobicContact CD1-CE2 3.77Å; L290-F319 HydrophobicContact CD1-CG 3.98Å; L290-F319 HydrophobicContact CG-CD2 4.47Å; T315-F319 HydrophobicContact CG2-CD2 3.93Å; T315-F319 HydrophobicContact CG2-CE2 3.6Å; T315-F319 WeakPolarHBondContact O-CD2 3.42Å; T315-F319 PolarHBondContact O-N 2.85Å; F316-F319 PolarHBondContact O-N 3.35Å; F316-F319 VanDerWaalsContact O-N 3.11Å; D317-F319 VanDerWaalsContact C-N 3.31Å; D317-F319 PolarHBondContact O-N 3.03Å; F319-W321 VanDerWaalsContact C-N 3.33Å; F319-F322 PolarHBondContact O-N 2.93Å; F319-G323 PolarHBondContact O-N 2.97Å |
| 320 | V | 82.6 | Confident | 82.1 | Confident | 14 Ų | 14 | 36 Ų | 36 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 166.6 | 173 | 0 | 0 | 0 | 0 | 110.1 | F287 F316 D317 V318 F322 G323 W324 | F287-V320 HydrophobicContact CD2-CB 4.48Å; F287-V320 HydrophobicContact CD2-CG2 3.61Å; F287-V320 HydrophobicContact CE2-CG2 3.42Å; F287-V320 VanDerWaalsContact CE2-CG2 3.42Å; F287-V320 HydrophobicContact CZ-CG2 4.46Å; F316-V320 HydrophobicContact CD1-CG2 4.18Å; F316-V320 HydrophobicContact CE1-CG2 3.92Å; F316-V320 HydrophobicContact CZ-CG2 4.31Å; F316-V320 WeakPolarHBondContact O-CG2 3.45Å; F316-V320 PolarHBondContact O-N 3.45Å; D317-V320 WeakPolarHBondContact O-CB 3.2Å; D317-V320 PolarHBondContact O-N 3.45Å; D317-V320 VanDerWaalsContact O-N 3.15Å; V318-V320 VanDerWaalsContact C-N 3.34Å; V318-V320 PolarHBondContact O-N 3.38Å; V320-F322 VanDerWaalsContact C-N 3.31Å; V320-F322 PolarHBondContact O-N 2.88Å; V320-G323 WeakPolarHBondContact O-CA 3.35Å; V320-G323 PolarHBondContact O-N 2.88Å; V320-W324 HydrophobicContact CG1-CD2 4.08Å; V320-W324 HydrophobicContact CG1-CE3 4.45Å; V320-W324 HydrophobicContact CG1-CH2 3.8Å; V320-W324 HydrophobicContact CG1-CZ2 3.38Å; V320-W324 HydrophobicContact CG1-CZ3 4.33Å; V320-W324 PolarHBondContact O-N 3.26Å |
| 321 | W | 88.3 | Confident | 83.4 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -34.7 | 179 | -51.9 | -16 | 0 | 0 | 0 | 112.5 | T25 F28 L29 E84 D317 V318 F319 G323 W324 A325 | T25-W321 HydrophobicContact CG2-CH2 3.39Å; T25-W321 HydrophobicContact CG2-CZ2 3.86Å; T25-W321 HydrophobicContact CG2-CZ3 4.02Å; F28-W321 HydrophobicContact CD1-CE3 4.22Å; F28-W321 HydrophobicContact CE1-CB 4.28Å; F28-W321 HydrophobicContact CE1-CE3 4.04Å; L29-W321 HydrophobicContact CD1-CZ2 4.45Å; L29-W321 HydrophobicContact CD2-CD2 3.89Å; L29-W321 HydrophobicContact CD2-CG 3.86Å; E84-W321 HydrophobicContact CG-CH2 4.4Å; E84-W321 HydrophobicContact CG-CZ2 3.7Å; D317-W321 HydrophobicContact CB-CZ2 3.97Å; D317-W321 PolarHBondContact O-N 2.84Å; D317-W321 PolarHBondContact O-NE1 3.16Å; V318-W321 HydrophobicContact CG2-CE3 4.11Å; V318-W321 HydrophobicContact CG2-CH2 4.45Å; V318-W321 HydrophobicContact CG2-CZ3 3.87Å; V318-W321 WeakPolarHBondContact O-CB 3.41Å; V318-W321 PolarHBondContact O-N 2.75Å; V318-W321 VanDerWaalsContact O-N 3.13Å; F319-W321 VanDerWaalsContact C-N 3.33Å; W321-G323 VanDerWaalsContact C-N 3.32Å; W321-W324 AromaticContact CD1-CE3 3.69Å; W321-W324 AromaticContact CD1-CZ3 3.36Å; W321-W324 HydrophobicContact CG-CE3 4.41Å; W321-W324 HydrophobicContact CG-CZ3 4.4Å; W321-W324 AromaticContact NE1-CZ3 3.94Å; W321-W324 PolarHBondContact O-N 2.91Å; W321-A325 WeakPolarHBondContact O-CB 3.2Å; W321-A325 PolarHBondContact O-N 2.76Å |
| 322 | F | 86.5 | Confident | 84.4 | Confident | 109 Ų | 109 | 35.6 Ų | 35.6 | 48% | 0.478 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 170.9 | -93.7 | -96.5 | 0 | 0 | 0 | 112 | C283 V318 F319 V320 A325 | C283-F322 VanDerWaalsContact CB-O 3.32Å; C283-F322 WeakPolarHBondContact CB-O 3.08Å; C283-F322 CarbonylContact O-C 3.57Å; V318-F322 HydrophobicContact CG1-CD2 3.93Å; V318-F322 HydrophobicContact CG1-CE2 3.92Å; V318-F322 WeakPolarHBondContact O-CD2 3.41Å; V318-F322 PolarHBondContact O-N 2.83Å; F319-F322 PolarHBondContact O-N 2.93Å; V320-F322 VanDerWaalsContact C-N 3.31Å; V320-F322 PolarHBondContact O-N 2.88Å; F322-A325 WeakPolarHBondContact O-CB 3.23Å; F322-A325 PolarHBondContact O-N 2.7Å |
| 323 | G | 85.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -48 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C283 W284 F319 V320 W321 A325 N326 | C283-G323 PolarHBondContact O-N 3.3Å; W284-G323 WeakPolarHBondContact CZ2-O 3.42Å; W284-G323 PolarHBondContact NE1-O 2.69Å; F319-G323 PolarHBondContact O-N 2.97Å; V320-G323 WeakPolarHBondContact O-CA 3.35Å; V320-G323 PolarHBondContact O-N 2.88Å; W321-G323 VanDerWaalsContact C-N 3.32Å; G323-A325 VanDerWaalsContact C-N 3.35Å; G323-A325 PolarHBondContact O-N 2.76Å; G323-N326 WeakPolarHBondContact O-CB 3.46Å; G323-N326 PolarHBondContact O-N 3.3Å; G323-N326 VanDerWaalsContact O-N 3.16Å |
| 324 | W | 86.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -32.9 | 176.4 | -66.1 | -18.1 | 0 | 0 | 0 | 114.2 | L29 L32 V76 M77 K80 V320 W321 N326 S327 | L29-W324 HydrophobicContact CD2-CZ3 4.39Å; L32-W324 HydrophobicContact CD2-CB 3.92Å; L32-W324 HydrophobicContact CD2-CE3 4.47Å; V76-W324 HydrophobicContact CG1-CZ2 3.97Å; M77-W324 HydrophobicContact CE-CB 3.68Å; M77-W324 HydrophobicContact CE-CG 4.09Å; M77-W324 HydrophobicContact CG-CD2 4.06Å; M77-W324 HydrophobicContact CG-CE3 4.13Å; M77-W324 HydrophobicContact CG-CG 4.31Å; K80-W324 HydrophobicContact CB-CH2 3.76Å; K80-W324 HydrophobicContact CB-CZ2 4.37Å; K80-W324 HydrophobicContact CG-CH2 3.52Å; K80-W324 HydrophobicContact CG-CZ2 4.23Å; V320-W324 HydrophobicContact CG1-CD2 4.08Å; V320-W324 HydrophobicContact CG1-CE3 4.45Å; V320-W324 HydrophobicContact CG1-CH2 3.8Å; V320-W324 HydrophobicContact CG1-CZ2 3.38Å; V320-W324 HydrophobicContact CG1-CZ3 4.33Å; V320-W324 PolarHBondContact O-N 3.26Å; W321-W324 AromaticContact CD1-CE3 3.69Å; W321-W324 AromaticContact CD1-CZ3 3.36Å; W321-W324 HydrophobicContact CG-CE3 4.41Å; W321-W324 HydrophobicContact CG-CZ3 4.4Å; W321-W324 AromaticContact NE1-CZ3 3.94Å; W321-W324 PolarHBondContact O-N 2.91Å; W324-N326 PolarHBondContact O-N 3.43Å; W324-N326 VanDerWaalsContact O-N 3.15Å; W324-S327 WeakPolarHBondContact O-CB 3.33Å; W324-S327 PolarHBondContact O-N 2.85Å |
| 325 | A | 89.1 | Confident | 86.3 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.4 | -24.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L32 W321 F322 G323 S327 S328 L329 | L32-A325 HydrophobicContact CD1-CB 3.91Å; W321-A325 WeakPolarHBondContact O-CB 3.2Å; W321-A325 PolarHBondContact O-N 2.76Å; F322-A325 WeakPolarHBondContact O-CB 3.23Å; F322-A325 PolarHBondContact O-N 2.7Å; G323-A325 VanDerWaalsContact C-N 3.35Å; G323-A325 PolarHBondContact O-N 2.76Å; A325-S327 PolarHBondContact O-N 3.13Å; A325-S328 PolarHBondContact O-N 3.15Å; A325-S328 VanDerWaalsContact O-N 3.12Å; A325-S328 PolarHBondContact O-OG 3.11Å; A325-L329 VanDerWaalsContact O-CG 3.25Å; A325-L329 WeakPolarHBondContact O-CG 3.26Å; A325-L329 PolarHBondContact O-N 3.42Å |
| 326 | N | 89.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.9 | -42 | 171.8 | -177.2 | 70.9 | 0 | 0 | 0 | 112.2 | F280 C283 W284 G323 W324 S328 L329 N330 | F280-N326 WeakPolarHBondContact CA-OD1 3.26Å; C283-N326 HydrophobicContact CB-CB 3.92Å; W284-N326 PolarHBondContact NE1-ND2 2.92Å; G323-N326 WeakPolarHBondContact O-CB 3.46Å; G323-N326 PolarHBondContact O-N 3.3Å; G323-N326 VanDerWaalsContact O-N 3.16Å; W324-N326 PolarHBondContact O-N 3.43Å; W324-N326 VanDerWaalsContact O-N 3.15Å; N326-S328 VanDerWaalsContact C-N 3.3Å; N326-S328 PolarHBondContact O-N 2.92Å; N326-L329 PolarHBondContact O-N 3.02Å; N326-N330 PolarHBondContact O-N 3.25Å |
| 327 | S | 89.4 | Confident | 86.6 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.8 | -27.4 | 179.8 | -65 | 0 | 0 | 0 | 0 | 113 | N40 D69 W324 A325 | N40-S327 PolarHBondContact ND2-O 3.38Å; D69-S327 VanDerWaalsContact CG-CB 3.49Å; D69-S327 VanDerWaalsContact OD1-CB 3.31Å; D69-S327 WeakPolarHBondContact OD1-CB 3.33Å; D69-S327 PolarHBondContact OD1-OG 3.35Å; W324-S327 WeakPolarHBondContact O-CB 3.33Å; W324-S327 PolarHBondContact O-N 2.85Å; A325-S327 PolarHBondContact O-N 3.13Å |
| 328 | S | 91.5 | Very high | 86.9 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -82.8 | -25.2 | 175.3 | 73.7 | 0 | 0 | 0 | 0 | 113.1 | T36 A325 N326 P331 | T36-S328 WeakPolarHBondContact OG1-CB 3.25Å; A325-S328 PolarHBondContact O-N 3.15Å; A325-S328 VanDerWaalsContact O-N 3.12Å; A325-S328 PolarHBondContact O-OG 3.11Å; N326-S328 VanDerWaalsContact C-N 3.3Å; N326-S328 PolarHBondContact O-N 2.92Å; S328-P331 WeakPolarHBondContact O-CD 3.45Å |
| 329 | L | 90.4 | Very high | 87 | Confident | 56 Ų | 56 | 37.5 Ų | 37.5 | 29% | 0.293 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -79.1 | -24.7 | 179.5 | -68 | 172.5 | 0 | 0 | 0 | 113.2 | V279 A325 N326 I332 I333 | V279-L329 HydrophobicContact CG1-CB 4.23Å; V279-L329 HydrophobicContact CG1-CD1 3.47Å; V279-L329 VanDerWaalsContact CG1-CD1 3.47Å; V279-L329 HydrophobicContact CG1-CG 4.47Å; A325-L329 VanDerWaalsContact O-CG 3.25Å; A325-L329 WeakPolarHBondContact O-CG 3.26Å; A325-L329 PolarHBondContact O-N 3.42Å; N326-L329 PolarHBondContact O-N 3.02Å; L329-I332 HydrophobicContact CD2-CD1 4.12Å; L329-I332 WeakPolarHBondContact O-CB 3.4Å; L329-I332 PolarHBondContact O-N 2.85Å; L329-I332 VanDerWaalsContact O-N 3.11Å; L329-I333 WeakPolarHBondContact O-CG1 3.43Å; L329-I333 PolarHBondContact O-N 3.48Å |
| 330 | N | 88.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.6 | -49.5 | -179.1 | -74.4 | -25.7 | 0 | 0 | 0 | 113.8 | D69 N326 I332 I333 Y334 | D69-N330 PolarHBondContact OD2-ND2 2.8Å; N326-N330 PolarHBondContact O-N 3.25Å; N330-I332 VanDerWaalsContact C-N 3.32Å; N330-I332 PolarHBondContact O-N 3.21Å; N330-I333 WeakPolarHBondContact O-CB 3.33Å; N330-I333 PolarHBondContact O-N 2.96Å; N330-I333 VanDerWaalsContact O-N 3.17Å; N330-Y334 HydrophobicContact CB-CE2 4.24Å; N330-Y334 WeakPolarHBondContact O-CD2 3.29Å; N330-Y334 PolarHBondContact O-N 3.02Å |
| 331 | P | 90.6 | Very high | 87.5 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.1 | -39.1 | 173.9 | -27.6 | 35.4 | 0 | 0 | 0 | 114.6 | V43 S328 I333 Y334 A335 | V43-P331 HydrophobicContact CG2-CB 3.96Å; V43-P331 HydrophobicContact CG2-CG 4.07Å; S328-P331 WeakPolarHBondContact O-CD 3.45Å; P331-I333 VanDerWaalsContact C-N 3.32Å; P331-Y334 PolarHBondContact O-N 2.89Å; P331-A335 PolarHBondContact O-N 2.87Å; P331-A335 VanDerWaalsContact O-N 3.08Å |
| 332 | I | 89.2 | Confident | 87.6 | Confident | 98 Ų | 98 | 48 Ų | 48 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 178 | -57.8 | 177.8 | 0 | 0 | 0 | 109.7 | L329 N330 Y334 A335 | L329-I332 HydrophobicContact CD2-CD1 4.12Å; L329-I332 WeakPolarHBondContact O-CB 3.4Å; L329-I332 PolarHBondContact O-N 2.85Å; L329-I332 VanDerWaalsContact O-N 3.11Å; N330-I332 VanDerWaalsContact C-N 3.32Å; N330-I332 PolarHBondContact O-N 3.21Å; I332-Y334 VanDerWaalsContact C-N 3.31Å; I332-Y334 PolarHBondContact O-N 3.38Å; I332-A335 WeakPolarHBondContact O-CB 3.17Å; I332-A335 PolarHBondContact O-N 2.93Å; I332-A335 VanDerWaalsContact O-N 3.15Å |
| 333 | I | 85.6 | Confident | 87.8 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 176.4 | -70.9 | 166 | 0 | 0 | 0 | 110.8 | I276 V279 L329 N330 P331 A335 F336 | I276-I333 HydrophobicContact CB-CG2 4.27Å; I276-I333 HydrophobicContact CD1-CG2 3.33Å; I276-I333 HydrophobicContact CG1-CG2 3.36Å; I276-I333 HydrophobicContact CG2-CD1 4.27Å; I276-I333 HydrophobicContact CG2-CG2 4.31Å; V279-I333 HydrophobicContact CG1-CD1 4.43Å; L329-I333 WeakPolarHBondContact O-CG1 3.43Å; L329-I333 PolarHBondContact O-N 3.48Å; N330-I333 WeakPolarHBondContact O-CB 3.33Å; N330-I333 PolarHBondContact O-N 2.96Å; N330-I333 VanDerWaalsContact O-N 3.17Å; P331-I333 VanDerWaalsContact C-N 3.32Å; I333-A335 VanDerWaalsContact C-N 3.28Å; I333-A335 PolarHBondContact O-N 3.27Å; I333-F336 WeakPolarHBondContact O-CB 3.44Å; I333-F336 WeakPolarHBondContact O-CD2 3.31Å; I333-F336 PolarHBondContact O-N 2.97Å |
| 334 | Y | 85.6 | Confident | 88.2 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 9% | 0.09 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -27.6 | 177.3 | -59.3 | -42.7 | 0 | 0 | 0 | 113.3 | V43 V62 L65 N330 P331 I332 F336 N337 F340 | V43-Y334 HydrophobicContact CG1-CD2 4.2Å; V43-Y334 HydrophobicContact CG1-CE2 4.34Å; V43-Y334 HydrophobicContact CG2-CD2 3.82Å; V43-Y334 HydrophobicContact CG2-CE2 4.44Å; V62-Y334 HydrophobicContact CG1-CD2 4.11Å; V62-Y334 HydrophobicContact CG1-CE1 4.22Å; V62-Y334 HydrophobicContact CG1-CE2 3.65Å; V62-Y334 HydrophobicContact CG2-CE1 4.23Å; L65-Y334 VanDerWaalsContact CD2-OH 3.27Å; L65-Y334 WeakPolarHBondContact CD2-OH 3.36Å; N330-Y334 HydrophobicContact CB-CE2 4.24Å; N330-Y334 WeakPolarHBondContact O-CD2 3.29Å; N330-Y334 PolarHBondContact O-N 3.02Å; P331-Y334 PolarHBondContact O-N 2.89Å; I332-Y334 VanDerWaalsContact C-N 3.31Å; I332-Y334 PolarHBondContact O-N 3.38Å; Y334-F336 PolarHBondContact O-N 3.48Å; Y334-F336 VanDerWaalsContact O-N 3.17Å; Y334-N337 VanDerWaalsContact O-CB 3.29Å; Y334-N337 WeakPolarHBondContact O-CB 3.22Å; Y334-N337 PolarHBondContact O-N 2.72Å; Y334-F340 VanDerWaalsContact O-CB 3.31Å; Y334-F340 WeakPolarHBondContact O-CB 3.44Å |
| 335 | A | 87.1 | Confident | 88.2 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -15.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P331 I332 I333 N337 R341 F344 | P331-A335 PolarHBondContact O-N 2.87Å; P331-A335 VanDerWaalsContact O-N 3.08Å; I332-A335 WeakPolarHBondContact O-CB 3.17Å; I332-A335 PolarHBondContact O-N 2.93Å; I332-A335 VanDerWaalsContact O-N 3.15Å; I333-A335 VanDerWaalsContact C-N 3.28Å; I333-A335 PolarHBondContact O-N 3.27Å; A335-N337 VanDerWaalsContact C-N 3.27Å; A335-R341 WeakPolarHBondContact O-CB 3.37Å; A335-F344 HydrophobicContact CB-CD2 4.08Å; A335-F344 HydrophobicContact CB-CE2 4.11Å |
| 336 | F | 82.8 | Confident | 88.3 | Confident | 131 Ų | 131 | 48.1 Ų | 48.1 | 58% | 0.575 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -19.7 | 169.1 | -67.4 | -69.3 | 0 | 0 | 0 | 113.2 | T272 I333 Y334 | T272-F336 HydrophobicContact CG2-CB 3.97Å; I333-F336 WeakPolarHBondContact O-CB 3.44Å; I333-F336 WeakPolarHBondContact O-CD2 3.31Å; I333-F336 PolarHBondContact O-N 2.97Å; Y334-F336 PolarHBondContact O-N 3.48Å; Y334-F336 VanDerWaalsContact O-N 3.17Å |
| 337 | N | 83 | Confident | 88.3 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 39% | 0.39 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -78.9 | 125.4 | 172.5 | -174 | -42.8 | 0 | 0 | 0 | 109.8 | Y334 A335 D339 F340 R341 | Y334-N337 VanDerWaalsContact O-CB 3.29Å; Y334-N337 WeakPolarHBondContact O-CB 3.22Å; Y334-N337 PolarHBondContact O-N 2.72Å; A335-N337 VanDerWaalsContact C-N 3.27Å; N337-D339 VanDerWaalsContact C-N 3.27Å; N337-D339 PolarHBondContact O-N 3.39Å; N337-D339 PolarHBondContact OD1-N 2.91Å; N337-F340 HydrophobicContact CB-CB 4.31Å; N337-F340 HydrophobicContact CB-CD2 4.11Å; N337-F340 PolarHBondContact O-N 2.87Å; N337-R341 WeakPolarHBondContact O-CB 3.33Å; N337-R341 PolarHBondContact O-N 3.06Å |
| 338 | A | 83.3 | Confident | 88.3 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.9 | -35.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K342 | A338-K342 WeakPolarHBondContact O-CB 3.47Å; A338-K342 PolarHBondContact O-N 3.44Å |
| 339 | D | 87.4 | Confident | 87.9 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.9 | -46.5 | -179.9 | -63.6 | -20.8 | 0 | 0 | 0 | 110.5 | L53 K56 N337 K342 A343 | L53-D339 HydrophobicContact CD2-CB 3.72Å; K56-D339 IonicContact NZ-OD2 2.7Å; K56-D339 PolarHBondContact NZ-OD2 3.48Å; N337-D339 VanDerWaalsContact C-N 3.27Å; N337-D339 PolarHBondContact O-N 3.39Å; N337-D339 PolarHBondContact OD1-N 2.91Å; D339-K342 PolarHBondContact O-N 3.38Å; D339-A343 PolarHBondContact O-N 3.4Å; D339-A343 VanDerWaalsContact O-N 3.1Å |
| 340 | F | 88.5 | Confident | 87.2 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 176.1 | -84.4 | -83.6 | 0 | 0 | 0 | 111.9 | V43 V47 L53 V62 Y334 N337 K342 A343 F344 | V43-F340 HydrophobicContact CG1-CE1 4.48Å; V47-F340 HydrophobicContact CG2-CE1 3.66Å; V47-F340 HydrophobicContact CG2-CZ 3.82Å; L53-F340 HydrophobicContact CD1-CD1 4.36Å; L53-F340 HydrophobicContact CD1-CE1 4.39Å; L53-F340 HydrophobicContact CD2-CD2 4.33Å; L53-F340 HydrophobicContact CD2-CE2 4.23Å; V62-F340 HydrophobicContact CG1-CE1 4.47Å; V62-F340 HydrophobicContact CG1-CZ 4.1Å; Y334-F340 VanDerWaalsContact O-CB 3.31Å; Y334-F340 WeakPolarHBondContact O-CB 3.44Å; N337-F340 HydrophobicContact CB-CB 4.31Å; N337-F340 HydrophobicContact CB-CD2 4.11Å; N337-F340 PolarHBondContact O-N 2.87Å; F340-K342 VanDerWaalsContact C-N 3.3Å; F340-K342 PolarHBondContact O-N 3.3Å; F340-A343 WeakPolarHBondContact O-CB 3.48Å; F340-A343 PolarHBondContact O-N 3.44Å; F340-A343 VanDerWaalsContact O-N 3.13Å; F340-F344 HydrophobicContact CB-CE2 4.21Å; F340-F344 HydrophobicContact CB-CZ 4.19Å; F340-F344 AromaticContact CD1-CE1 3.96Å; F340-F344 HydrophobicContact CD1-CE1 3.96Å; F340-F344 AromaticContact CD1-CZ 3.77Å; F340-F344 HydrophobicContact CD1-CZ 3.77Å; F340-F344 HydrophobicContact CG-CZ 4.43Å; F340-F344 WeakPolarHBondContact O-CB 3.27Å; F340-F344 WeakPolarHBondContact O-CG 3.25Å; F340-F344 PolarHBondContact O-N 2.87Å |
| 341 | R | 89.8 | Confident | 85.9 | Confident | 149 Ų | 149 | 63.2 Ų | 63.2 | 56% | 0.562 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.7 | -41.8 | 177.1 | -169 | 171.2 | 62.4 | -165 | 1.2 | 112.4 | A335 N337 F344 S345 | A335-R341 WeakPolarHBondContact O-CB 3.37Å; N337-R341 WeakPolarHBondContact O-CB 3.33Å; N337-R341 PolarHBondContact O-N 3.06Å; R341-F344 PolarHBondContact O-N 3.25Å; R341-S345 WeakPolarHBondContact O-CB 3.39Å; R341-S345 PolarHBondContact O-N 2.9Å |
| 342 | K | 88.7 | Confident | 84.2 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 175.7 | -172.6 | 175.1 | -178.2 | 176.2 | 0 | 111.2 | A338 D339 F340 T346 | A338-K342 WeakPolarHBondContact O-CB 3.47Å; A338-K342 PolarHBondContact O-N 3.44Å; D339-K342 PolarHBondContact O-N 3.38Å; F340-K342 VanDerWaalsContact C-N 3.3Å; F340-K342 PolarHBondContact O-N 3.3Å; K342-T346 PolarHBondContact O-N 2.94Å; K342-T346 VanDerWaalsContact O-N 3.09Å; K342-T346 PolarHBondContact O-OG1 3.18Å |
| 343 | A | 91.3 | Very high | 82.6 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A46 F50 L53 D339 F340 T346 L347 | A46-A343 HydrophobicContact CB-CB 3.92Å; F50-A343 HydrophobicContact CD2-CB 3.44Å; F50-A343 VanDerWaalsContact CD2-CB 3.44Å; F50-A343 HydrophobicContact CE2-CB 3.44Å; F50-A343 VanDerWaalsContact CE2-CB 3.44Å; F50-A343 HydrophobicContact CG-CB 4.24Å; F50-A343 HydrophobicContact CZ-CB 4.23Å; L53-A343 HydrophobicContact CD1-CB 3.82Å; D339-A343 PolarHBondContact O-N 3.4Å; D339-A343 VanDerWaalsContact O-N 3.1Å; F340-A343 WeakPolarHBondContact O-CB 3.48Å; F340-A343 PolarHBondContact O-N 3.44Å; F340-A343 VanDerWaalsContact O-N 3.13Å; A343-T346 PolarHBondContact O-N 3.18Å; A343-L347 WeakPolarHBondContact O-CG 3.3Å; A343-L347 PolarHBondContact O-N 3.36Å |
| 344 | F | 93.1 | Very high | 80.6 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 7% | 0.07 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 178.2 | -64 | -16.2 | 0 | 0 | 0 | 112.1 | L42 V43 A46 A335 F340 R341 T346 L347 L348 | L42-F344 HydrophobicContact CD1-CD1 4.28Å; L42-F344 HydrophobicContact CD2-CB 4.09Å; L42-F344 HydrophobicContact CD2-CD1 3.79Å; L42-F344 HydrophobicContact CD2-CD2 4.4Å; L42-F344 HydrophobicContact CD2-CE1 4.29Å; L42-F344 HydrophobicContact CD2-CG 3.85Å; L42-F344 HydrophobicContact CG-CD1 3.62Å; L42-F344 HydrophobicContact CG-CE1 3.94Å; L42-F344 HydrophobicContact CG-CG 4.22Å; V43-F344 HydrophobicContact CG2-CE1 4.41Å; V43-F344 HydrophobicContact CG2-CZ 3.9Å; A46-F344 HydrophobicContact CB-CD1 3.94Å; A46-F344 HydrophobicContact CB-CE1 3.68Å; A335-F344 HydrophobicContact CB-CD2 4.08Å; A335-F344 HydrophobicContact CB-CE2 4.11Å; F340-F344 HydrophobicContact CB-CE2 4.21Å; F340-F344 HydrophobicContact CB-CZ 4.19Å; F340-F344 AromaticContact CD1-CE1 3.96Å; F340-F344 HydrophobicContact CD1-CE1 3.96Å; F340-F344 AromaticContact CD1-CZ 3.77Å; F340-F344 HydrophobicContact CD1-CZ 3.77Å; F340-F344 HydrophobicContact CG-CZ 4.43Å; F340-F344 WeakPolarHBondContact O-CB 3.27Å; F340-F344 WeakPolarHBondContact O-CG 3.25Å; F340-F344 PolarHBondContact O-N 2.87Å; R341-F344 PolarHBondContact O-N 3.25Å; F344-T346 VanDerWaalsContact C-N 3.26Å; F344-T346 PolarHBondContact O-N 2.84Å; F344-L347 PolarHBondContact O-N 2.74Å; F344-L348 WeakPolarHBondContact O-CB 3.48Å; F344-L348 WeakPolarHBondContact O-CG 3.26Å; F344-L348 PolarHBondContact O-N 3.47Å |
| 345 | S | 88.8 | Confident | 78.6 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 33% | 0.329 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 176.6 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | R341 G349 C350 | R341-S345 WeakPolarHBondContact O-CB 3.39Å; R341-S345 PolarHBondContact O-N 2.9Å; S345-G349 PolarHBondContact O-N 3.48Å; S345-C350 PolarHBondContact O-N 3.35Å |
| 346 | T | 89.2 | Confident | 76.6 | Confident | 68 Ų | 68 | 90.2 Ų | 90.2 | 42% | 0.417 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.9 | -44 | 176.1 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | F50 K342 A343 F344 G349 | F50-T346 HydrophobicContact CE1-CG2 4.33Å; F50-T346 HydrophobicContact CZ-CG2 3.84Å; K342-T346 PolarHBondContact O-N 2.94Å; K342-T346 VanDerWaalsContact O-N 3.09Å; K342-T346 PolarHBondContact O-OG1 3.18Å; A343-T346 PolarHBondContact O-N 3.18Å; F344-T346 VanDerWaalsContact C-N 3.26Å; F344-T346 PolarHBondContact O-N 2.84Å; T346-G349 PolarHBondContact O-N 2.65Å |
| 347 | L | 90.5 | Very high | 74.7 | Confident | 68 Ų | 68 | 88.9 Ų | 88.9 | 36% | 0.356 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | -179.4 | -72.4 | 170.8 | 0 | 0 | 0 | 112.8 | L42 A45 A46 R49 F50 A343 F344 G349 | L42-L347 HydrophobicContact CD1-CB 3.78Å; L42-L347 HydrophobicContact CD1-CD1 3.8Å; L42-L347 HydrophobicContact CD1-CG 4.45Å; A45-L347 HydrophobicContact CB-CD1 4.19Å; A46-L347 HydrophobicContact CB-CD1 3.96Å; R49-L347 HydrophobicContact CG-CD2 4.41Å; F50-L347 HydrophobicContact CE2-CD1 4.13Å; F50-L347 HydrophobicContact CE2-CD2 4.43Å; F50-L347 HydrophobicContact CE2-CG 4Å; A343-L347 WeakPolarHBondContact O-CG 3.3Å; A343-L347 PolarHBondContact O-N 3.36Å; F344-L347 PolarHBondContact O-N 2.74Å; L347-G349 VanDerWaalsContact C-N 3.25Å; L347-G349 PolarHBondContact O-N 2.84Å |
| 348 | L | 89.5 | Confident | 72.6 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 60% | 0.602 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.9 | 177.9 | -66.8 | 169.1 | 0 | 0 | 0 | 113.1 | L42 F344 C350 | L42-L348 HydrophobicContact CD1-CG 4.4Å; L42-L348 HydrophobicContact CD2-CD1 4.02Å; L42-L348 HydrophobicContact CD2-CG 4.29Å; F344-L348 WeakPolarHBondContact O-CB 3.48Å; F344-L348 WeakPolarHBondContact O-CG 3.26Å; F344-L348 PolarHBondContact O-N 3.47Å; L348-C350 PolarHBondContact O-N 3.35Å |
| 349 | G | 83.3 | Confident | 70.5 | Confident | 29 Ų | 29 | 95 Ų | 95 | 30% | 0.299 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 10.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S345 T346 L347 Y351 R352 | S345-G349 PolarHBondContact O-N 3.48Å; T346-G349 PolarHBondContact O-N 2.65Å; L347-G349 VanDerWaalsContact C-N 3.25Å; L347-G349 PolarHBondContact O-N 2.84Å; G349-Y351 PolarHBondContact O-N 2.82Å; G349-R352 PolarHBondContact O-N 2.9Å |
| 350 | C | 75.8 | Confident | 68 | Low | 50 Ų | 50 | 96 Ų | 96 | 34% | 0.338 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -65.6 | -10.9 | -176.4 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | S345 L348 R352 L353 C354 | S345-C350 PolarHBondContact O-N 3.35Å; L348-C350 PolarHBondContact O-N 3.35Å; C350-R352 PolarHBondContact O-N 3.37Å; C350-L353 PolarHBondContact O-N 3.33Å; C350-C354 PolarHBondContact O-N 2.87Å |
| 351 | Y | 60 | Low | 65.7 | Low | 135 Ų | 135 | 102.9 Ų | 102.9 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -59.5 | -22.6 | 172.8 | 74.4 | -90.4 | 0 | 0 | 0 | 113.3 | G349 | G349-Y351 PolarHBondContact O-N 2.82Š|
| 352 | R | 55.6 | Low | 63.1 | Low | 202 Ų | 202 | 102.2 Ų | 102.2 | 76% | 0.762 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -82.1 | -18.3 | 176 | -64.2 | -161.1 | 179.3 | -162.6 | 0.1 | 113.9 | G349 C350 | G349-R352 PolarHBondContact O-N 2.9Å; C350-R352 PolarHBondContact O-N 3.37Å |
| 353 | L | 55.2 | Low | 60.6 | Low | 144 Ų | 144 | 100.7 Ų | 100.7 | 75% | 0.754 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -13.3 | -172.6 | -70.8 | 163.9 | 0 | 0 | 0 | 113.3 | C350 | C350-L353 PolarHBondContact O-N 3.33Š|
| 354 | C | 44.7 | Very low | 58 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 63% | 0.628 | 59% | 0.591 | S | S | * | * | trans | -143.4 | 99 | 175.4 | -78.3 | 0 | 0 | 0 | 0 | 109.8 | C350 M356 | C350-C354 PolarHBondContact O-N 2.87Å; C354-M356 PolarHBondContact O-N 2.86Å | ||
| 355 | P | 43.7 | Very low | 55.3 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 84% | 0.838 | 62% | 0.621 | S | S | * | * | trans | -71 | 80.6 | 161 | 30.1 | -28.9 | 0 | 0 | 0 | 107 | S357 | P355-S357 PolarHBondContact O-N 3.26Š| ||
| 356 | M | 44.8 | Very low | 53.1 | Low | 171 Ų | 171 | 113.9 Ų | 113.9 | 84% | 0.842 | 64% | 0.641 | S | S | * | * | trans | -68 | 112.1 | 171.6 | -168.1 | 166.2 | -176 | 0 | 0 | 106.7 | C354 S358 | C354-M356 PolarHBondContact O-N 2.86Å; M356-S358 PolarHBondContact O-N 2.96Å | ||
| 357 | S | 42.2 | Very low | 50.9 | Low | 103 Ų | 103 | 116.4 Ų | 116.4 | 72% | 0.72 | 65% | 0.652 | S | S | * | * | trans | -26.2 | 106 | 169.2 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | P355 N359 | P355-S357 PolarHBondContact O-N 3.26Å; S357-N359 PolarHBondContact O-N 3.03Å; S357-N359 VanDerWaalsContact O-N 3.13Å | ||
| 358 | S | 40 | Very low | 48.8 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -64 | 116.3 | 167 | -76.7 | 0 | 0 | 0 | 0 | 105.8 | M356 A360 | M356-S358 PolarHBondContact O-N 2.96Å; S358-A360 PolarHBondContact O-N 3.33Å | ||
| 359 | N | 38.4 | Very low | 46.8 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | trans | -61.2 | 78.6 | 142.8 | -72.7 | -26.1 | 0 | 0 | 0 | 105.8 | S357 I361 | S357-N359 PolarHBondContact O-N 3.03Å; S357-N359 VanDerWaalsContact O-N 3.13Å; N359-I361 PolarHBondContact O-N 3.47Å; N359-I361 VanDerWaalsContact O-N 3.14Å | ||
| 360 | A | 35.5 | Very low | 44.9 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 65% | 0.645 | 71% | 0.705 | S | S | * | * | trans | -59 | 114 | 161.4 | 0 | 0 | 0 | 0 | 0 | 104.4 | S358 E362 | S358-A360 PolarHBondContact O-N 3.33Å; A360-E362 PolarHBondContact O-N 3.45Å | ||
| 361 | I | 39.7 | Very low | 43 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -66.9 | 95.6 | 163.2 | -63.5 | -178.5 | 0 | 0 | 0 | 104.1 | N359 T363 | N359-I361 PolarHBondContact O-N 3.47Å; N359-I361 VanDerWaalsContact O-N 3.14Å; I361-T363 VanDerWaalsContact C-N 3.3Å; I361-T363 HydrophobicContact CG2-CG2 3.97Å; I361-T363 PolarHBondContact O-N 2.96Å | ||
| 362 | E | 35.9 | Very low | 41.7 | Very low | 135 Ų | 135 | 124 Ų | 124 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | trans | -66.3 | 96 | 164.2 | -118.8 | 178.8 | 177 | 0 | 0 | 106.4 | A360 V364 F374 | A360-E362 PolarHBondContact O-N 3.45Å; E362-V364 VanDerWaalsContact C-N 3.33Å; E362-V364 PolarHBondContact O-N 2.99Å; E362-F374 WeakPolarHBondContact OE1-CE1 3.18Å | ||
| 363 | T | 35.3 | Very low | 40.8 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -72.7 | 94.5 | 167.5 | 47.2 | 0 | 0 | 0 | 0 | 107.7 | I361 S365 | I361-T363 VanDerWaalsContact C-N 3.3Å; I361-T363 HydrophobicContact CG2-CG2 3.97Å; I361-T363 PolarHBondContact O-N 2.96Å; T363-S365 PolarHBondContact O-N 3.45Å | ||
| 364 | V | 36.7 | Very low | 39.8 | Very low | 97 Ų | 97 | 120.1 Ų | 120.1 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | trans | -72.2 | 105.6 | 168 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | E362 I366 | E362-V364 VanDerWaalsContact C-N 3.33Å; E362-V364 PolarHBondContact O-N 2.99Å; V364-I366 HydrophobicContact CG1-CG1 4.11Å | ||
| 365 | S | 37.1 | Very low | 39.2 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | -88.1 | 111.9 | 165.9 | 60.1 | 0 | 0 | 0 | 0 | 109.1 | T363 | T363-S365 PolarHBondContact O-N 3.45Š| ||
| 366 | I | 42.3 | Very low | 38.4 | Very low | 145 Ų | 145 | 120 Ų | 120 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | trans | -80.7 | 116.2 | 171.8 | -58.8 | 179 | 0 | 0 | 0 | 107.7 | V364 | V364-I366 HydrophobicContact CG1-CG1 4.11Š| ||
| 367 | N | 42.3 | Very low | 37.5 | Very low | 122 Ų | 122 | 121 Ų | 121 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | trans | -80.9 | 151.8 | 167.7 | -165.8 | 12.6 | 0 | 0 | 0 | 109.7 | N369 G370 | N367-N369 PolarHBondContact O-N 3.04Å; N367-G370 PolarHBondContact O-N 3Å | ||
| 368 | N | 46.3 | Very low | 36.8 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 7.6 | -166.6 | -140 | 25.2 | 0 | 0 | 0 | 115.7 | ||
| 369 | N | 48.4 | Very low | 36.1 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 16.2 | -180 | -68.6 | 22.5 | 0 | 0 | 0 | 113.3 | N367 A371 | N367-N369 PolarHBondContact O-N 3.04Å; N369-A371 PolarHBondContact O-N 3.08Å |
| 370 | G | 43.8 | Very low | 35.6 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 73.5 | 16.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | N367 | N367-G370 PolarHBondContact O-N 3Š|
| 371 | A | 35.3 | Very low | 35.3 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 55% | 0.554 | 73% | 0.732 | S | S | * | * | trans | -101.7 | 129.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N369 | N369-A371 PolarHBondContact O-N 3.08Š| ||
| 372 | V | 33.7 | Very low | 34.7 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | trans | -82.4 | 118 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | F374 | V372-F374 HydrophobicContact CG1-CD2 4.36Å; V372-F374 HydrophobicContact CG1-CE2 3.99Å | ||
| 373 | V | 36.1 | Very low | 34.3 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -112.7 | 119 | 175.5 | 178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 374 | F | 34.4 | Very low | 33.9 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | trans | -82.5 | 113.7 | 168 | -73.2 | -89.5 | 0 | 0 | 0 | 108.7 | E362 V372 | E362-F374 WeakPolarHBondContact OE1-CE1 3.18Å; V372-F374 HydrophobicContact CG1-CD2 4.36Å; V372-F374 HydrophobicContact CG1-CE2 3.99Å | ||
| 375 | S | 30.6 | Very low | 33.7 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -109.2 | 113.9 | 169.8 | -88.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 376 | S | 27 | Very low | 33.1 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -86.5 | 102.8 | 163.7 | -176 | 0 | 0 | 0 | 0 | 108 | H378 | S376-H378 PolarHBondContact O-N 2.86Š| ||
| 377 | Q | 26.9 | Very low | 32.4 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -79.7 | 96.8 | 168.6 | -85.5 | -173.6 | -23.5 | 0 | 0 | 109.3 | ||||
| 378 | H | 27.9 | Very low | 31.4 | Very low | 164 Ų | 164 | 136 Ų | 136 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -77.9 | 120.9 | 154.1 | -124.8 | -75.9 | 0 | 0 | 0 | 107.2 | S376 P380 | S376-H378 PolarHBondContact O-N 2.86Å; H378-P380 WeakPolarHBondContact O-CD 3.31Å | ||
| 379 | E | 24.5 | Very low | 30.4 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -88.7 | 107.3 | 156.8 | -100.2 | -133.9 | 135.7 | 0 | 0 | 108.3 | ||||
| 380 | P | 28.7 | Very low | 29.2 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 123.8 | 160.7 | 31.8 | -28.4 | 0 | 0 | 0 | 109 | H378 G382 | H378-P380 WeakPolarHBondContact O-CD 3.31Å; P380-G382 PolarHBondContact O-N 2.77Å |
| 381 | K | 29.6 | Very low | 28.2 | Very low | 204 Ų | 204 | 139.1 Ų | 139.1 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 127.3 | 160.2 | -81.4 | -177.8 | 174.8 | -179.1 | 0 | 108.3 | S383 | K381-S383 PolarHBondContact O-N 3.48Š|
| 382 | G | 25.5 | Very low | 27.7 | Very low | 83 Ų | 83 | 145.1 Ų | 145.1 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 122.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P380 | P380-G382 PolarHBondContact O-N 2.77Š|
| 383 | S | 28.2 | Very low | 27.3 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -149.1 | 119.1 | 138.9 | 58.8 | 0 | 0 | 0 | 0 | 106.4 | K381 | K381-S383 PolarHBondContact O-N 3.48Š| ||
| 384 | S | 26.2 | Very low | 26.6 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -126.4 | 167.9 | 178.6 | 78.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 385 | P | 34 | Very low | 27.1 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | -131.1 | 163.2 | -91.8 | 31.1 | -11.8 | 0 | 0 | 0 | 111.6 | |||||
| 386 | K | 24.2 | Very low | 26.8 | Very low | 209 Ų | 209 | 150.6 Ų | 150.6 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -142.9 | 111.2 | 154.6 | -73.3 | -166 | 177.9 | 176.4 | 0 | 110.6 | ||||
| 387 | E | 26.9 | Very low | 26.6 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -56.2 | 140.2 | 153.2 | -76 | 172.5 | 132.1 | 0 | 0 | 109.2 | ||||
| 388 | C | 21.9 | Very low | 26.6 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -153.8 | 127.9 | 147.2 | -153.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 389 | N | 24 | Very low | 26.4 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -58.5 | 147.8 | 172.9 | -77.3 | -52.8 | 0 | 0 | 0 | 112.3 | V391 | N389-V391 PolarHBondContact O-N 3.13Š| ||
| 390 | L | 23.7 | Very low | 26.2 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -66.7 | 116.5 | 170.1 | -178.2 | 77.8 | 0 | 0 | 0 | 111 | ||||
| 391 | V | 23.8 | Very low | 26.7 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -143.6 | 126.1 | 153.3 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | N389 | N389-V391 PolarHBondContact O-N 3.13Š| ||
| 392 | Y | 25 | Very low | 26.5 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | trans | -76 | 136.5 | 172.7 | -101.4 | -98 | 0 | 0 | 0 | 111.3 | ||||
| 393 | L | 24 | Very low | 26.5 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -167.2 | 142.6 | 141.4 | -128.8 | 79.9 | 0 | 0 | 0 | 111.6 | ||||
| 394 | I | 22.6 | Very low | 26.3 | Very low | 142 Ų | 142 | 152.3 Ų | 152.3 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | trans | -109.1 | 170.4 | 179.8 | -56.6 | 172.8 | 0 | 0 | 0 | 107.8 | ||||
| 395 | P | 43.6 | Very low | 27.3 | Very low | 92 Ų | 92 | 151.6 Ų | 151.6 | 60% | 0.597 | 81% | 0.806 | S | S | * | * | cis | -124.4 | 179.9 | -47.8 | 37.8 | -21.6 | 0 | 0 | 0 | 112.6 | ||||
| 396 | H | 24.4 | Very low | 26.8 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | 178 | 153.9 | 122.2 | -93.8 | -67.2 | 0 | 0 | 0 | 113.1 | |||||
| 397 | A | 24 | Very low | 26.8 | Very low | 85 Ų | 85 | 153.1 Ų | 153.1 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | trans | -81.5 | 168 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 398 | I | 26.1 | Very low | 26.7 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | 179.7 | 111.6 | 123.3 | -83.3 | 151.7 | 0 | 0 | 0 | 111.1 | |||||
| 399 | I | 23.8 | Very low | 26.9 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | 41.9 | 130.9 | 131.5 | -51 | 172.2 | 0 | 0 | 0 | 122.5 | ||||
| 400 | C | 20.8 | Very low | 27 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -66.2 | -163 | 177.4 | -50.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 401 | P | 39 | Very low | 27 | Very low | 121 Ų | 121 | 158.6 Ų | 158.6 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | cis | -140.1 | -169 | -13.8 | 20.8 | 7.9 | 0 | 0 | 0 | 116.9 | ||||
| 402 | E | 25.5 | Very low | 27 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -42.3 | 161.9 | 173.9 | -64.3 | 171.6 | 123.2 | 0 | 0 | 121.6 | ||||
| 403 | E | 24 | Very low | 27 | Very low | 200 Ų | 200 | 156 Ų | 156 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | -171.2 | 143.6 | 128 | -105.9 | -179.7 | -171.5 | 0 | 0 | 113.9 | |||||
| 404 | E | 24.1 | Very low | 26.9 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -119.6 | -172.8 | 164 | -134.3 | -156.7 | -171.1 | 0 | 0 | 106.5 | ||||
| 405 | P | 48.7 | Very low | 27 | Very low | 100 Ų | 100 | 153.3 Ų | 153.3 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | cis | -134.5 | -175.7 | -34.2 | 31.3 | -9.9 | 0 | 0 | 0 | 113.4 | ||||
| 406 | L | 22.2 | Very low | 26 | Very low | 174 Ų | 174 | 158.4 Ų | 158.4 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -161 | 146.5 | 148 | -148.7 | 75.4 | 0 | 0 | 0 | 116.1 | ||||
| 407 | K | 25.6 | Very low | 26 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -85 | 171.5 | -171.7 | -58.5 | 171 | 173 | 179.4 | 0 | 117.3 | ||||
| 408 | K | 24.1 | Very low | 26 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 179.5 | 121.6 | 132.7 | -95.1 | 170 | -177.4 | -172.8 | 0 | 109.7 | ||||
| 409 | E | 25.2 | Very low | 25.9 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | 52.4 | 142.9 | 78.3 | -78.4 | 177.6 | -170.1 | 0 | 0 | 114.3 | |||||
| 410 | E | 26.5 | Very low | 25.9 | Very low | 177 Ų | 177 | 158.4 Ų | 158.4 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | cis | -173.4 | -176.8 | -21.6 | -149.1 | 179.3 | -154.7 | 0 | 0 | 105.9 | ||||
| 411 | E | 25.2 | Very low | 26 | Very low | 199 Ų | 199 | 161.8 Ų | 161.8 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | 85.2 | 142.2 | 173.3 | -52.6 | -174.1 | 167.4 | 0 | 0 | 118 | ||||
| 412 | G | 23.4 | Very low | 25.3 | Very low | 77 Ų | 77 | 160.9 Ų | 160.9 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | cis | 178.6 | 166.4 | 6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 413 | E | 23.7 | Very low | 25.5 | Very low | 199 Ų | 199 | 157.5 Ų | 157.5 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -60.6 | 157 | -170.8 | -64.1 | 171.5 | 115.6 | 0 | 0 | 118.1 | ||||
| 414 | L | 22.6 | Very low | 25.6 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | 178.8 | 133.5 | 120.7 | -169.8 | 62.8 | 0 | 0 | 0 | 115.1 | |||||
| 415 | S | 24.2 | Very low | 25.5 | Very low | 92 Ų | 92 | 151.8 Ų | 151.8 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | trans | -33.9 | 141.9 | 165.5 | 179 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 416 | K | 24.1 | Very low | 24.3 | Very low | 198 Ų | 198 | 152.8 Ų | 152.8 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | 178.4 | 143.9 | 112 | -97 | 176.5 | -176.8 | 175.8 | 0 | 115.6 | |||||
| 417 | T | 24.1 | Very low | 24.4 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -57.7 | 158.1 | 172.4 | 21.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 418 | T | 23.4 | Very low | 24.3 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | -173.7 | 151.9 | 127.6 | -64 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 419 | E | 23.9 | Very low | 24.4 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 67% | 0.668 | 81% | 0.81 | S | S | * | * | trans | -77.9 | 164.8 | -160.3 | -63.3 | 176.7 | 99.2 | 0 | 0 | 119.9 | ||||
| 420 | K | 24.1 | Very low | 24.3 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | 45.3 | 130.6 | 137.1 | -74.2 | 170.3 | -175.4 | 144.1 | 0 | 121.2 | ||||
| 421 | M | 22.6 | Very low | 24.3 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | -169.4 | 136.5 | 111.4 | -152.9 | 90.5 | 163.5 | 0 | 0 | 110.3 | |||||
| 422 | S | 24.5 | Very low | 24.4 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -117.9 | 154.9 | 161.7 | -165.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 423 | P | 30.4 | Very low | 24.5 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | -136.1 | 136.7 | 118.5 | 15.7 | 6.2 | 0 | 0 | 0 | 111.4 | |||||
| 424 | A | 24.3 | Very low | 24.7 | Very low | 94 Ų | 94 | 144 Ų | 144 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | 59 | 137.2 | 86.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 425 | L | 23.1 | Very low | 25 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | cis | 178.8 | 137.7 | 12.6 | 162.3 | 75 | 0 | 0 | 0 | 105.7 | ||||
| 426 | S | 23.8 | Very low | 25.2 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -166.8 | 115.5 | 137.2 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 427 | G | 23.5 | Very low | 25.4 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -88.6 | 148.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 428 | I | 24.4 | Very low | 25.8 | Very low | 152 Ų | 152 | 142 Ų | 142 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -138.6 | 107.7 | 155.9 | -64.3 | -175.8 | 0 | 0 | 0 | 106.5 | D430 | I428-D430 HydrophobicContact CG2-CB 4.44Š| ||
| 429 | L | 25.4 | Very low | 26.4 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -66.7 | 129.4 | 149.3 | -98.8 | 143.6 | 0 | 0 | 0 | 106.3 | ||||
| 430 | D | 23.6 | Very low | 26.9 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 139.1 | 147 | -97.8 | -30.7 | 0 | 0 | 0 | 112.6 | I428 | I428-D430 HydrophobicContact CG2-CB 4.44Š| ||
| 431 | Y | 26.4 | Very low | 27.1 | Very low | 219 Ų | 219 | 142.3 Ų | 142.3 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -79.2 | 150 | 177.1 | -142.4 | -101.4 | 0 | 0 | 0 | 109.2 | ||||
| 432 | E | 26.1 | Very low | 27.7 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 149 | 147 | 155.6 | -91.4 | -178.6 | 159.1 | 0 | 0 | 110.3 | ||||
| 433 | A | 27.5 | Very low | 28.1 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -162 | 141.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 107 | V435 | A433-V435 PolarHBondContact O-N 2.81Š| ||
| 434 | D | 27 | Very low | 28.2 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -68.9 | 113.6 | 163 | -93.5 | -42.4 | 0 | 0 | 0 | 109 | ||||
| 435 | V | 28.7 | Very low | 28.8 | Very low | 119 Ų | 119 | 147 Ų | 147 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -97 | 90.6 | 164.9 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | A433 L437 | A433-V435 PolarHBondContact O-N 2.81Å; V435-L437 HydrophobicContact CG1-CD1 4.08Å; V435-L437 HydrophobicContact CG1-CG 4.31Å; V435-L437 PolarHBondContact O-N 2.94Å | ||
| 436 | S | 28 | Very low | 29.2 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -81 | 102.5 | 161.9 | -64.4 | 0 | 0 | 0 | 0 | 108.4 | E438 | S436-E438 PolarHBondContact O-N 3.48Š| ||
| 437 | L | 29.4 | Very low | 29.6 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -95.7 | 84.7 | 171.7 | -112.4 | 158.4 | 0 | 0 | 0 | 108.9 | V435 | V435-L437 HydrophobicContact CG1-CD1 4.08Å; V435-L437 HydrophobicContact CG1-CG 4.31Å; V435-L437 PolarHBondContact O-N 2.94Å | ||
| 438 | E | 32.8 | Very low | 30 | Very low | 165 Ų | 165 | 151 Ų | 151 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | trans | -101 | 140.4 | 167.7 | -152 | 176.8 | -166.7 | 0 | 0 | 109.5 | S436 | S436-E438 PolarHBondContact O-N 3.48Š| ||
| 439 | K | 34.2 | Very low | 30.5 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 66.9 | 103.9 | 169.9 | -77.5 | 171.2 | 178.2 | 168.9 | 0 | 118.6 | ||||
| 440 | I | 34.5 | Very low | 31 | Very low | 162 Ų | 162 | 153.7 Ų | 153.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -109.9 | 109.9 | 145.3 | -60.2 | 172.9 | 0 | 0 | 0 | 106.6 | ||||
| 441 | N | 29.8 | Very low | 31.9 | Very low | 132 Ų | 132 | 156.3 Ų | 156.3 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 148.6 | 166.2 | -90.4 | -8.3 | 0 | 0 | 0 | 109.6 | ||
| 442 | P | 34.2 | Very low | 32.1 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 74% | 0.74 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 140 | 179.3 | 31 | -31.5 | 0 | 0 | 0 | 111.8 | T444 | P442-T444 PolarHBondContact O-N 3.13Š|
| 443 | I | 32.4 | Very low | 32.5 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 119.9 | 172.8 | -64.3 | 167.9 | 0 | 0 | 0 | 108.7 | ||
| 444 | T | 33.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 155.2 Ų | 155.2 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -95 | 126.6 | 165.1 | 40.5 | 0 | 0 | 0 | 0 | 110.4 | P442 | P442-T444 PolarHBondContact O-N 3.13Š|
| 445 | Q | 36.2 | Very low | 33.1 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 131.9 | 158.1 | -84.5 | 176.7 | -40.2 | 0 | 0 | 110.2 | ||
| 446 | N | 32.8 | Very low | 33.3 | Very low | 169 Ų | 169 | 157 Ų | 157 | 90% | 0.904 | 84% | 0.836 | S | S | * | * | 177.1 | 138.4 | 125.3 | -103.1 | -13.4 | 0 | 0 | 0 | 111.7 | |||||
| 447 | G | 31.4 | Very low | 33.7 | Very low | 65 Ų | 65 | 160.2 Ų | 160.2 | 67% | 0.67 | 84% | 0.841 | S | S | * | * | trans | 109.6 | 100.5 | 131.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 448 | Q | 31.3 | Very low | 34 | Very low | 202 Ų | 202 | 160.7 Ų | 160.7 | 94% | 0.944 | 84% | 0.844 | S | S | * | * | 92.2 | 120.1 | 129.1 | -69.7 | -176.5 | -33.3 | 0 | 0 | 121.5 | |||||
| 449 | H | 36.5 | Very low | 34.1 | Very low | 187 Ų | 187 | 160.4 Ų | 160.4 | 87% | 0.866 | 85% | 0.849 | S | S | * | * | trans | -59.1 | 166.1 | 160.7 | -109.2 | -82.4 | 0 | 0 | 0 | 115.1 | ||||
| 450 | K | 35.4 | Very low | 34.1 | Very low | 192 Ų | 192 | 159.4 Ų | 159.4 | 84% | 0.835 | 86% | 0.858 | S | S | * | * | trans | 92.6 | 124.5 | 167.9 | -63.2 | -176.8 | 177.3 | -177.8 | 0 | 112.5 | ||||
| 451 | T | 41.5 | Very low | 34.1 | Very low | 209 Ų | 209 | 159.2 Ų | 159.2 | 100% | 1.282 | 86% | 0.86 | S | S | * | * | cis | -158.7 | 0 | 17.4 | 0.2 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 451 of 451 residues in 101 ms
(Link to these results)