| 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 | 40.3 | Very low | 44.2 | Very low | 248 Ų | 248 | 131.8 Ų | 131.8 | 100% | 1.222 | 79% | 0.792 | S | S | * | * | 0 | 108.6 | 0 | -84.8 | 167.1 | 165.4 | 0 | 0 | 108.1 | |||||
| 2 | A | 41.5 | Very low | 45.2 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -68.6 | 126.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V4 | A2-V4 PolarHBondContact O-N 3.1Å; A2-V4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | G | 42.9 | Very low | 45.6 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | -61.3 | 111.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | G5 | G3-G5 PolarHBondContact O-N 3.12Å; G3-G5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | V | 46 | Very low | 46.8 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -48.9 | 114 | 170.5 | 166.2 | 0 | 0 | 0 | 0 | 108.8 | A2 A6 | A2-V4 PolarHBondContact O-N 3.1Å; A2-V4 VanDerWaalsContact O-N 3.12Å; V4-A6 VanDerWaalsContact C-N 3.26Å; V4-A6 PolarHBondContact O-N 2.91Å | ||
| 5 | G | 43.4 | Very low | 48.1 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | trans | -62.9 | 88.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G3 K7 | G3-G5 PolarHBondContact O-N 3.12Å; G3-G5 VanDerWaalsContact O-N 3.1Å; G5-K7 PolarHBondContact O-N 2.85Å | ||
| 6 | A | 44.5 | Very low | 49.4 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | trans | -59 | 103.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | V4 R8 | V4-A6 VanDerWaalsContact C-N 3.26Å; V4-A6 PolarHBondContact O-N 2.91Å; A6-R8 VanDerWaalsContact C-N 3.28Å; A6-R8 PolarHBondContact O-N 2.95Å | ||
| 7 | K | 44.6 | Very low | 50.8 | Low | 185 Ų | 185 | 126.5 Ų | 126.5 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -65.8 | 91.8 | 171.9 | -156.7 | -170.9 | -171.2 | -162.7 | 0 | 107.2 | G5 E9 | G5-K7 PolarHBondContact O-N 2.85Å; K7-E9 PolarHBondContact O-N 2.82Å | ||
| 8 | R | 44.2 | Very low | 51.9 | Low | 238 Ų | 238 | 122.3 Ų | 122.3 | 90% | 0.898 | 71% | 0.706 | S | S | * | * | trans | -61.3 | 96.2 | 178.1 | -66.2 | 179.9 | 176.7 | 175.1 | -2 | 108.9 | A6 G10 | A6-R8 VanDerWaalsContact C-N 3.28Å; A6-R8 PolarHBondContact O-N 2.95Å; R8-G10 PolarHBondContact O-N 3Å | ||
| 9 | E | 46.5 | Very low | 53 | Low | 155 Ų | 155 | 118.7 Ų | 118.7 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | trans | -77.7 | 74.6 | 165.2 | -61.6 | -145.7 | 119.9 | 0 | 0 | 108.4 | K7 K76 | K7-E9 PolarHBondContact O-N 2.82Å; E9-K76 IonicContact OE1-NZ 3.87Å | ||
| 10 | G | 45.8 | Very low | 54.2 | Low | 45 Ų | 45 | 121.5 Ų | 121.5 | 46% | 0.464 | 69% | 0.685 | S | S | . | * | trans | -65.6 | 159.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R8 Q12 | R8-G10 PolarHBondContact O-N 3Å; G10-Q12 PolarHBondContact O-N 2.86Å; G10-Q12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | P | 46.9 | Very low | 55.4 | Low | 110 Ų | 110 | 117.3 Ų | 117.3 | 71% | 0.714 | 67% | 0.669 | S | S | * | * | trans | -51.2 | 123.9 | 175.1 | 21.2 | -31.1 | 0 | 0 | 0 | 108.7 | F13 | P11-F13 HydrophobicContact CG-CE2 4.2Å; P11-F13 WeakPolarHBondContact O-CD2 3.32Å; P11-F13 PolarHBondContact O-N 3.11Å | ||
| 12 | Q | 55.4 | Low | 57.2 | Low | 99 Ų | 99 | 108.5 Ų | 108.5 | 46% | 0.463 | 63% | 0.627 | S | S | . | * | trans | -69.4 | 98 | -175.1 | -63.4 | -150.1 | -52.1 | 0 | 0 | 109.1 | G10 I14 | G10-Q12 PolarHBondContact O-N 2.86Å; G10-Q12 VanDerWaalsContact O-N 3.11Å; Q12-I14 PolarHBondContact O-N 3.29Å | ||
| 13 | F | 51.1 | Low | 59 | Low | 195 Ų | 195 | 106.2 Ų | 106.2 | 86% | 0.855 | 61% | 0.608 | S | S | * | * | trans | -64.9 | 87.1 | 166.7 | -75.5 | -87.6 | 0 | 0 | 0 | 108 | P11 S15 | P11-F13 HydrophobicContact CG-CE2 4.2Å; P11-F13 WeakPolarHBondContact O-CD2 3.32Å; P11-F13 PolarHBondContact O-N 3.11Å; F13-S15 PolarHBondContact O-N 3.24Å | ||
| 14 | I | 61.5 | Low | 60.8 | Low | 87 Ų | 87 | 106 Ų | 106 | 45% | 0.446 | 59% | 0.591 | S | S | . | * | trans | -69.3 | 114.6 | 168.2 | -63.4 | 179.7 | 0 | 0 | 0 | 105.9 | Q12 E16 V19 K76 | Q12-I14 PolarHBondContact O-N 3.29Å; I14-E16 PolarHBondContact O-N 3.06Å; I14-V19 HydrophobicContact CG2-CG2 3.14Å; I14-K76 WeakPolarHBondContact CD1-O 3.26Å | ||
| 15 | S | 67.1 | Low | 62.6 | Low | 69 Ų | 69 | 103.8 Ų | 103.8 | 48% | 0.483 | 58% | 0.577 | S | S | . | * | trans | -58.6 | 121.1 | 173.4 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | F13 V17 A18 V19 | F13-S15 PolarHBondContact O-N 3.24Å; S15-V17 PolarHBondContact O-N 3.47Å; S15-A18 WeakPolarHBondContact O-CB 3.06Å; S15-A18 PolarHBondContact O-N 3.39Å; S15-V19 PolarHBondContact O-N 3.4Å | ||
| 16 | E | 68.3 | Low | 64.4 | Low | 134 Ų | 134 | 101.1 Ų | 101.1 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.7 | -30.9 | 179.4 | -169 | 170.5 | 99.2 | 0 | 0 | 111.6 | I14 V19 R20 | I14-E16 PolarHBondContact O-N 3.06Å; E16-V19 PolarHBondContact O-N 2.8Å; E16-R20 WeakPolarHBondContact O-CB 3.38Å; E16-R20 WeakPolarHBondContact O-CG 3.33Å; E16-R20 PolarHBondContact O-N 3.18Å |
| 17 | V | 73.3 | Confident | 66.2 | Low | 117 Ų | 117 | 101.2 Ų | 101.2 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 173.2 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | S15 R20 G21 | S15-V17 PolarHBondContact O-N 3.47Å; V17-R20 PolarHBondContact O-N 3.26Å; V17-G21 PolarHBondContact O-N 3.29Å |
| 18 | A | 71.6 | Confident | 68.2 | Low | 50 Ų | 50 | 100 Ų | 100 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.5 | -36 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | S15 N22 | S15-A18 WeakPolarHBondContact O-CB 3.06Å; S15-A18 PolarHBondContact O-N 3.39Å; A18-N22 PolarHBondContact O-N 3.12Å; A18-N22 PolarHBondContact O-ND2 3.48Å |
| 19 | V | 73 | Confident | 70.2 | Confident | 55 Ų | 55 | 91.2 Ų | 91.2 | 33% | 0.333 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -44.7 | 176.5 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | I14 S15 E16 N22 A23 | I14-V19 HydrophobicContact CG2-CG2 3.14Å; S15-V19 PolarHBondContact O-N 3.4Å; E16-V19 PolarHBondContact O-N 2.8Å; V19-N22 PolarHBondContact O-N 3.25Å; V19-A23 PolarHBondContact O-N 3.43Å |
| 20 | R | 75.6 | Confident | 71.9 | Confident | 173 Ų | 173 | 85.2 Ų | 85.2 | 65% | 0.653 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 175.5 | -78.5 | -179.8 | 166.9 | -172.8 | -1.5 | 111.7 | E16 V17 N22 A23 V24 | E16-R20 WeakPolarHBondContact O-CB 3.38Å; E16-R20 WeakPolarHBondContact O-CG 3.33Å; E16-R20 PolarHBondContact O-N 3.18Å; V17-R20 PolarHBondContact O-N 3.26Å; R20-N22 PolarHBondContact O-N 3.42Å; R20-A23 WeakPolarHBondContact O-CB 3.39Å; R20-A23 PolarHBondContact O-N 2.9Å; R20-V24 WeakPolarHBondContact O-CG2 3.21Å; R20-V24 PolarHBondContact O-N 3.07Å |
| 21 | G | 79.6 | Confident | 73.9 | Confident | 35 Ų | 35 | 86 Ų | 86 | 36% | 0.361 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.3 | -46 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V17 A23 V24 V25 | V17-G21 PolarHBondContact O-N 3.29Å; G21-A23 VanDerWaalsContact C-N 3.32Å; G21-A23 PolarHBondContact O-N 2.6Å; G21-V24 PolarHBondContact O-N 2.82Å; G21-V25 WeakPolarHBondContact O-CG2 3.21Å; G21-V25 PolarHBondContact O-N 3.29Å |
| 22 | N | 79.4 | Confident | 75.9 | Confident | 63 Ų | 63 | 83.9 Ų | 83.9 | 34% | 0.337 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 175.9 | -69.2 | -16.3 | 0 | 0 | 0 | 112.4 | A18 V19 R20 V24 V25 L26 | A18-N22 PolarHBondContact O-N 3.12Å; A18-N22 PolarHBondContact O-ND2 3.48Å; V19-N22 PolarHBondContact O-N 3.25Å; R20-N22 PolarHBondContact O-N 3.42Å; N22-V24 VanDerWaalsContact C-N 3.34Å; N22-V24 PolarHBondContact O-N 3.48Å; N22-V25 PolarHBondContact O-N 3.44Å; N22-L26 WeakPolarHBondContact O-CB 3.06Å; N22-L26 WeakPolarHBondContact O-CD1 3.44Å; N22-L26 WeakPolarHBondContact O-CG 3.26Å; N22-L26 PolarHBondContact O-N 3.5Å |
| 23 | A | 77.6 | Confident | 77.6 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 44% | 0.438 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V19 R20 G21 L26 D27 | V19-A23 PolarHBondContact O-N 3.43Å; R20-A23 WeakPolarHBondContact O-CB 3.39Å; R20-A23 PolarHBondContact O-N 2.9Å; G21-A23 VanDerWaalsContact C-N 3.32Å; G21-A23 PolarHBondContact O-N 2.6Å; A23-L26 PolarHBondContact O-N 3.09Å; A23-D27 PolarHBondContact O-N 2.86Å; A23-D27 VanDerWaalsContact O-N 3.1Å |
| 24 | V | 81.9 | Confident | 79.5 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | R20 G21 N22 L26 D27 Y28 | R20-V24 WeakPolarHBondContact O-CG2 3.21Å; R20-V24 PolarHBondContact O-N 3.07Å; G21-V24 PolarHBondContact O-N 2.82Å; N22-V24 VanDerWaalsContact C-N 3.34Å; N22-V24 PolarHBondContact O-N 3.48Å; V24-L26 VanDerWaalsContact C-N 3.27Å; V24-L26 PolarHBondContact O-N 3.34Å; V24-D27 PolarHBondContact O-N 3.2Å; V24-D27 VanDerWaalsContact O-N 3.15Å; V24-Y28 HydrophobicContact CG1-CD2 3.79Å; V24-Y28 HydrophobicContact CG1-CE2 3.32Å; V24-Y28 WeakPolarHBondContact O-CD2 3.25Å; V24-Y28 PolarHBondContact O-N 3.23Å; V24-Y28 VanDerWaalsContact O-N 3.12Å |
| 25 | V | 83.2 | Confident | 80.9 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 177.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | G21 N22 D27 Y28 C29 | G21-V25 WeakPolarHBondContact O-CG2 3.21Å; G21-V25 PolarHBondContact O-N 3.29Å; N22-V25 PolarHBondContact O-N 3.44Å; V25-D27 VanDerWaalsContact C-N 3.34Å; V25-D27 PolarHBondContact O-N 2.98Å; V25-Y28 PolarHBondContact O-N 2.83Å; V25-C29 PolarHBondContact O-N 3.24Å; V25-C29 PolarHBondContact O-SG 2.83Å |
| 26 | L | 81.1 | Confident | 82.1 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.5 | -75.8 | 168.3 | 0 | 0 | 0 | 113.1 | N22 A23 V24 C29 R30 L66 F78 L84 | N22-L26 WeakPolarHBondContact O-CB 3.06Å; N22-L26 WeakPolarHBondContact O-CD1 3.44Å; N22-L26 WeakPolarHBondContact O-CG 3.26Å; N22-L26 PolarHBondContact O-N 3.5Å; A23-L26 PolarHBondContact O-N 3.09Å; V24-L26 VanDerWaalsContact C-N 3.27Å; V24-L26 PolarHBondContact O-N 3.34Å; L26-C29 PolarHBondContact O-N 3.4Å; L26-R30 WeakPolarHBondContact O-CG 3.44Å; L26-R30 PolarHBondContact O-N 3.07Å; L26-L66 HydrophobicContact CD2-CD1 3.57Å; L26-L66 HydrophobicContact CD2-CD2 3.36Å; L26-L66 HydrophobicContact CD2-CG 4.08Å; L26-F78 HydrophobicContact CD1-CE1 3.53Å; L26-F78 HydrophobicContact CD1-CZ 3.58Å; L26-L84 HydrophobicContact CD1-CD2 3.32Å; L26-L84 HydrophobicContact CD2-CD2 4.5Å |
| 27 | D | 83.4 | Confident | 83.2 | Confident | 81 Ų | 81 | 65.4 Ų | 65.4 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 178.4 | -154.2 | -89.7 | 0 | 0 | 0 | 111.6 | A23 V24 V25 R30 T31 | A23-D27 PolarHBondContact O-N 2.86Å; A23-D27 VanDerWaalsContact O-N 3.1Å; V24-D27 PolarHBondContact O-N 3.2Å; V24-D27 VanDerWaalsContact O-N 3.15Å; V25-D27 VanDerWaalsContact C-N 3.34Å; V25-D27 PolarHBondContact O-N 2.98Å; D27-R30 PolarHBondContact O-N 3.42Å; D27-T31 PolarHBondContact O-N 3.48Å; D27-T31 PolarHBondContact O-OG1 2.9Å; D27-T31 VanDerWaalsContact O-OG1 3.07Å |
| 28 | Y | 85.6 | Confident | 84.1 | Confident | 158 Ų | 158 | 59.9 Ų | 59.9 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60 | -49.3 | 171.9 | -72.7 | -59.1 | 0 | 0 | 0 | 112.2 | V24 V25 R30 T31 S32 | V24-Y28 HydrophobicContact CG1-CD2 3.79Å; V24-Y28 HydrophobicContact CG1-CE2 3.32Å; V24-Y28 WeakPolarHBondContact O-CD2 3.25Å; V24-Y28 PolarHBondContact O-N 3.23Å; V24-Y28 VanDerWaalsContact O-N 3.12Å; V25-Y28 PolarHBondContact O-N 2.83Å; Y28-R30 VanDerWaalsContact C-N 3.26Å; Y28-R30 PolarHBondContact O-N 2.9Å; Y28-T31 PolarHBondContact O-N 3.36Å; Y28-S32 PolarHBondContact O-N 3.3Å; Y28-S32 PolarHBondContact O-OG 3.29Å; Y28-S32 VanDerWaalsContact O-OG 3.12Å |
| 29 | C | 85.7 | Confident | 85 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 37% | 0.365 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.3 | -40.3 | 177.9 | -75.7 | 0 | 0 | 0 | 0 | 112.2 | V25 L26 V33 | V25-C29 PolarHBondContact O-N 3.24Å; V25-C29 PolarHBondContact O-SG 2.83Å; L26-C29 PolarHBondContact O-N 3.4Å; C29-V33 WeakPolarHBondContact O-CB 3.45Å; C29-V33 WeakPolarHBondContact O-CG2 3.49Å; C29-V33 PolarHBondContact O-N 2.89Å |
| 30 | R | 82.7 | Confident | 85.8 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 176.6 | -79.6 | 174.2 | 176.8 | 166 | -4 | 112.5 | L26 D27 Y28 S32 V33 S34 L62 L83 L84 | L26-R30 WeakPolarHBondContact O-CG 3.44Å; L26-R30 PolarHBondContact O-N 3.07Å; D27-R30 PolarHBondContact O-N 3.42Å; Y28-R30 VanDerWaalsContact C-N 3.26Å; Y28-R30 PolarHBondContact O-N 2.9Å; R30-S32 VanDerWaalsContact C-N 3.34Å; R30-V33 PolarHBondContact O-N 3.47Å; R30-S34 WeakPolarHBondContact O-CB 3.47Å; R30-S34 PolarHBondContact O-N 3.42Å; R30-S34 PolarHBondContact O-OG 2.93Å; R30-L62 HydrophobicContact CB-CD2 4.19Å; R30-L62 HydrophobicContact CG-CD2 3.44Å; R30-L62 VanDerWaalsContact CG-CD2 3.44Å; R30-L83 PolarHBondContact NH2-O 3.48Å; R30-L84 PolarHBondContact NH2-O 3.47Å |
| 31 | T | 87.8 | Confident | 86.5 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 179.6 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | D27 Y28 S34 A35 | D27-T31 PolarHBondContact O-N 3.48Å; D27-T31 PolarHBondContact O-OG1 2.9Å; D27-T31 VanDerWaalsContact O-OG1 3.07Å; Y28-T31 PolarHBondContact O-N 3.36Å; T31-S34 PolarHBondContact O-N 3.08Å; T31-A35 PolarHBondContact O-N 2.84Å |
| 32 | S | 89.8 | Confident | 86.9 | Confident | 67 Ų | 67 | 49 Ų | 49 | 47% | 0.469 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 176.3 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | Y28 R30 S34 A35 L36 | Y28-S32 PolarHBondContact O-N 3.3Å; Y28-S32 PolarHBondContact O-OG 3.29Å; Y28-S32 VanDerWaalsContact O-OG 3.12Å; R30-S32 VanDerWaalsContact C-N 3.34Å; S32-S34 VanDerWaalsContact C-N 3.33Å; S32-S34 PolarHBondContact O-N 3.41Å; S32-A35 PolarHBondContact O-N 3.17Å; S32-L36 WeakPolarHBondContact O-CB 3.36Å; S32-L36 VanDerWaalsContact O-CG 3.29Å; S32-L36 WeakPolarHBondContact O-CG 3.2Å; S32-L36 PolarHBondContact O-N 2.84Å |
| 33 | V | 90.3 | Very high | 87.2 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 26% | 0.261 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.4 | -34.6 | 178.1 | 168.5 | 0 | 0 | 0 | 0 | 112 | C29 R30 L36 S37 L62 | C29-V33 WeakPolarHBondContact O-CB 3.45Å; C29-V33 WeakPolarHBondContact O-CG2 3.49Å; C29-V33 PolarHBondContact O-N 2.89Å; R30-V33 PolarHBondContact O-N 3.47Å; V33-L36 PolarHBondContact O-N 2.94Å; V33-S37 VanDerWaalsContact O-CB 3.29Å; V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 2.93Å; V33-S37 PolarHBondContact O-OG 3.39Å; V33-L62 HydrophobicContact CB-CD1 4.48Å; V33-L62 HydrophobicContact CB-CD2 4.48Å; V33-L62 HydrophobicContact CG1-CB 4.33Å; V33-L62 HydrophobicContact CG2-CD1 3.97Å |
| 34 | S | 90.9 | Very high | 87.6 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 175 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | R30 T31 S32 S37 G38 G92 | R30-S34 WeakPolarHBondContact O-CB 3.47Å; R30-S34 PolarHBondContact O-N 3.42Å; R30-S34 PolarHBondContact O-OG 2.93Å; T31-S34 PolarHBondContact O-N 3.08Å; S32-S34 VanDerWaalsContact C-N 3.33Å; S32-S34 PolarHBondContact O-N 3.41Å; S34-S37 PolarHBondContact O-OG 3.17Å; S34-G38 PolarHBondContact O-N 3.42Å; S34-G92 VanDerWaalsContact CB-O 3.31Å; S34-G92 WeakPolarHBondContact CB-O 3.29Å; S34-G92 WeakPolarHBondContact OG-CA 3.29Å |
| 35 | A | 91.1 | Very high | 87.6 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T31 S32 G38 A39 T95 F99 | T31-A35 PolarHBondContact O-N 2.84Å; S32-A35 PolarHBondContact O-N 3.17Å; A35-G38 PolarHBondContact O-N 2.89Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 2.98Å; A35-T95 HydrophobicContact CB-CG2 4.14Å; A35-F99 HydrophobicContact CB-CD2 3.74Å; A35-F99 HydrophobicContact CB-CE2 3.64Å; A35-F99 HydrophobicContact CB-CG 4.32Å; A35-F99 HydrophobicContact CB-CZ 4.14Å |
| 36 | L | 92.1 | Very high | 87.3 | Confident | 116 Ų | 116 | 49 Ų | 49 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | 179.5 | -72.1 | 170.3 | 0 | 0 | 0 | 112.1 | S32 V33 A39 T40 | S32-L36 WeakPolarHBondContact O-CB 3.36Å; S32-L36 VanDerWaalsContact O-CG 3.29Å; S32-L36 WeakPolarHBondContact O-CG 3.2Å; S32-L36 PolarHBondContact O-N 2.84Å; V33-L36 PolarHBondContact O-N 2.94Å; L36-A39 WeakPolarHBondContact O-CB 3.37Å; L36-A39 PolarHBondContact O-N 3.36Å; L36-T40 PolarHBondContact O-N 2.92Å; L36-T40 PolarHBondContact O-OG1 2.84Å |
| 37 | S | 91.9 | Very high | 87.4 | Confident | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 177.4 | 55.6 | 0 | 0 | 0 | 0 | 112.2 | V33 S34 A39 T40 A41 F54 S58 | V33-S37 VanDerWaalsContact O-CB 3.29Å; V33-S37 WeakPolarHBondContact O-CB 3.39Å; V33-S37 PolarHBondContact O-N 2.93Å; V33-S37 PolarHBondContact O-OG 3.39Å; S34-S37 PolarHBondContact O-OG 3.17Å; S37-A39 VanDerWaalsContact C-N 3.31Å; S37-T40 PolarHBondContact O-N 3.3Å; S37-A41 WeakPolarHBondContact O-CB 3.26Å; S37-A41 PolarHBondContact O-N 3.44Å; S37-F54 WeakPolarHBondContact O-CE1 3.31Å; S37-S58 VanDerWaalsContact CB-OG 3.25Å; S37-S58 WeakPolarHBondContact CB-OG 3.5Å |
| 38 | G | 91 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S34 A35 A41 G42 W100 | S34-G38 PolarHBondContact O-N 3.42Å; A35-G38 PolarHBondContact O-N 2.89Å; G38-A41 PolarHBondContact O-N 3.13Å; G38-G42 PolarHBondContact O-N 3.04Å; G38-W100 VanDerWaalsContact O-CA 3.32Å; G38-W100 WeakPolarHBondContact O-CA 3.42Å |
| 39 | A | 91.6 | Very high | 87.1 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A35 L36 S37 A41 G42 I43 L103 | A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 2.98Å; L36-A39 WeakPolarHBondContact O-CB 3.37Å; L36-A39 PolarHBondContact O-N 3.36Å; S37-A39 VanDerWaalsContact C-N 3.31Å; A39-A41 VanDerWaalsContact C-N 3.33Å; A39-A41 PolarHBondContact O-N 3.5Å; A39-G42 PolarHBondContact O-N 3.25Å; A39-I43 VanDerWaalsContact O-CG1 3.29Å; A39-I43 WeakPolarHBondContact O-CG1 3.34Å; A39-I43 PolarHBondContact O-N 3.41Å; A39-L103 HydrophobicContact CB-CD1 3.27Å |
| 40 | T | 90.4 | Very high | 87.1 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.9 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | L36 S37 I43 L44 F54 | L36-T40 PolarHBondContact O-N 2.92Å; L36-T40 PolarHBondContact O-OG1 2.84Å; S37-T40 PolarHBondContact O-N 3.3Å; T40-I43 PolarHBondContact O-N 3.1Å; T40-L44 HydrophobicContact CG2-CD1 3.92Å; T40-L44 WeakPolarHBondContact O-CB 3.4Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.2Å; T40-L44 PolarHBondContact O-N 3.17Å; T40-F54 HydrophobicContact CG2-CE1 4.47Å; T40-F54 HydrophobicContact CG2-CZ 4.09Å |
| 41 | A | 89.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S37 G38 A39 G45 L46 F54 Y96 W100 | S37-A41 WeakPolarHBondContact O-CB 3.26Å; S37-A41 PolarHBondContact O-N 3.44Å; G38-A41 PolarHBondContact O-N 3.13Å; A39-A41 VanDerWaalsContact C-N 3.33Å; A39-A41 PolarHBondContact O-N 3.5Å; A41-G45 PolarHBondContact O-N 3.41Å; A41-L46 PolarHBondContact O-N 3.43Å; A41-F54 HydrophobicContact CB-CD1 3.94Å; A41-F54 HydrophobicContact CB-CE1 4.41Å; A41-Y96 HydrophobicContact CB-CE2 4.22Å; A41-Y96 VanDerWaalsContact CB-OH 3.24Å; A41-Y96 WeakPolarHBondContact CB-OH 3.19Å; A41-W100 HydrophobicContact CB-CG 4.35Å |
| 42 | G | 87.2 | Confident | 87 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | G38 A39 G45 | G38-G42 PolarHBondContact O-N 3.04Å; A39-G42 PolarHBondContact O-N 3.25Å; G42-G45 PolarHBondContact O-N 3.02Å |
| 43 | I | 86.8 | Confident | 86.9 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 52% | 0.518 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.9 | -64.4 | 163.7 | 0 | 0 | 0 | 111.3 | A39 T40 G45 | A39-I43 VanDerWaalsContact O-CG1 3.29Å; A39-I43 WeakPolarHBondContact O-CG1 3.34Å; A39-I43 PolarHBondContact O-N 3.41Å; T40-I43 PolarHBondContact O-N 3.1Å; I43-G45 PolarHBondContact O-N 3.02Å |
| 44 | L | 84.9 | Confident | 86.8 | Confident | 110 Ų | 110 | 57.1 Ų | 57.1 | 58% | 0.576 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -10.4 | 177.4 | -73.5 | 169.5 | 0 | 0 | 0 | 113.4 | T40 L46 | T40-L44 HydrophobicContact CG2-CD1 3.92Å; T40-L44 WeakPolarHBondContact O-CB 3.4Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.2Å; T40-L44 PolarHBondContact O-N 3.17Å; L44-L46 HydrophobicContact CB-CD1 3.94Å; L44-L46 HydrophobicContact CB-CG 4.07Å; L44-L46 HydrophobicContact CD1-CD1 3.99Å; L44-L46 PolarHBondContact O-N 3.45Å |
| 45 | G | 81.6 | Confident | 86.7 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 18.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A41 G42 I43 T47 H108 | A41-G45 PolarHBondContact O-N 3.41Å; G42-G45 PolarHBondContact O-N 3.02Å; I43-G45 PolarHBondContact O-N 3.02Å; G45-T47 PolarHBondContact O-N 3.4Å; G45-H108 VanDerWaalsContact CA-NE2 3.27Å; G45-H108 WeakPolarHBondContact CA-NE2 3.44Å |
| 46 | L | 78.6 | Confident | 86.4 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 28% | 0.277 | 33% | 0.333 | S | S | . | . | trans | -68.3 | 115.8 | -177.6 | -71.7 | 158.4 | 0 | 0 | 0 | 109 | A41 L44 W100 | A41-L46 PolarHBondContact O-N 3.43Å; L44-L46 HydrophobicContact CB-CD1 3.94Å; L44-L46 HydrophobicContact CB-CG 4.07Å; L44-L46 HydrophobicContact CD1-CD1 3.99Å; L44-L46 PolarHBondContact O-N 3.45Å; L46-W100 VanDerWaalsContact O-CE2 3.25Å; L46-W100 WeakPolarHBondContact O-CZ2 3.43Å; L46-W100 PolarHBondContact O-NE1 3.04Å | ||
| 47 | T | 82.4 | Confident | 86.3 | Confident | 82 Ų | 82 | 61.9 Ų | 61.9 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | trans | -105.6 | 153.9 | -178.1 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | G45 L49 Y104 | G45-T47 PolarHBondContact O-N 3.4Å; T47-L49 PolarHBondContact O-N 3.06Å; T47-Y104 HydrophobicContact CG2-CD2 4.46Å; T47-Y104 HydrophobicContact CG2-CE2 3.57Å; T47-Y104 WeakPolarHBondContact CG2-OH 3.39Å | ||
| 48 | G | 79.7 | Confident | 86.1 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -128.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y50 W100 | G48-Y50 VanDerWaalsContact C-N 3.33Å; G48-Y50 PolarHBondContact O-N 2.94Å; G48-W100 WeakPolarHBondContact O-CH2 3.44Å |
| 49 | L | 82.4 | Confident | 85.7 | Confident | 148 Ų | 148 | 63 Ų | 63 | 78% | 0.775 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.7 | -31.3 | -173.7 | -69.8 | 169.7 | 0 | 0 | 0 | 113.2 | T47 G51 F52 V53 | T47-L49 PolarHBondContact O-N 3.06Å; L49-G51 PolarHBondContact O-N 2.9Å; L49-F52 WeakPolarHBondContact O-CB 3.49Å; L49-F52 PolarHBondContact O-N 3.49Å; L49-F52 VanDerWaalsContact O-N 3.15Å; L49-V53 WeakPolarHBondContact O-CG2 3.44Å; L49-V53 PolarHBondContact O-N 3.34Å |
| 50 | Y | 85.1 | Confident | 85.4 | Confident | 172 Ų | 172 | 68 Ų | 68 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.5 | -38.8 | -178.2 | -68.5 | -73 | 0 | 0 | 0 | 112.6 | G48 F52 V53 F54 | G48-Y50 VanDerWaalsContact C-N 3.33Å; G48-Y50 PolarHBondContact O-N 2.94Å; Y50-F52 VanDerWaalsContact C-N 3.28Å; Y50-F52 PolarHBondContact O-N 3.41Å; Y50-V53 PolarHBondContact O-N 3.32Å; Y50-F54 PolarHBondContact O-N 3.45Å |
| 51 | G | 84.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L49 F54 Y55 Y96 | L49-G51 PolarHBondContact O-N 2.9Å; G51-F54 PolarHBondContact O-N 3.49Å; G51-Y55 PolarHBondContact O-N 3.23Å; G51-Y96 PolarHBondContact O-OH 2.97Å |
| 52 | F | 84.9 | Confident | 85 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 38% | 0.382 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 176.5 | -136.7 | -87.9 | 0 | 0 | 0 | 112.3 | L49 Y50 F54 Y55 F56 L93 | L49-F52 WeakPolarHBondContact O-CB 3.49Å; L49-F52 PolarHBondContact O-N 3.49Å; L49-F52 VanDerWaalsContact O-N 3.15Å; Y50-F52 VanDerWaalsContact C-N 3.28Å; Y50-F52 PolarHBondContact O-N 3.41Å; F52-F54 VanDerWaalsContact C-N 3.32Å; F52-F54 PolarHBondContact O-N 3.15Å; F52-Y55 WeakPolarHBondContact O-CB 3.44Å; F52-Y55 PolarHBondContact O-N 2.99Å; F52-F56 HydrophobicContact CD1-CD2 4.12Å; F52-F56 AromaticContact CD1-CE2 3.62Å; F52-F56 HydrophobicContact CD1-CE2 3.62Å; F52-F56 AromaticContact CE1-CE2 3.72Å; F52-F56 HydrophobicContact CE1-CE2 3.72Å; F52-F56 HydrophobicContact CE1-CZ 4.34Å; F52-F56 WeakPolarHBondContact O-CD2 3.39Å; F52-F56 PolarHBondContact O-N 3.47Å; F52-L93 HydrophobicContact CE1-CD1 4.36Å; F52-L93 HydrophobicContact CE2-CD1 4.37Å; F52-L93 HydrophobicContact CZ-CD1 3.86Å; F52-L93 HydrophobicContact CZ-CD2 4.46Å |
| 53 | V | 88.3 | Confident | 84.6 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 56% | 0.558 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.6 | -39.4 | 173.4 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L49 Y50 Y55 F56 L57 | L49-V53 WeakPolarHBondContact O-CG2 3.44Å; L49-V53 PolarHBondContact O-N 3.34Å; Y50-V53 PolarHBondContact O-N 3.32Å; V53-Y55 VanDerWaalsContact C-N 3.29Å; V53-Y55 PolarHBondContact O-N 2.89Å; V53-F56 PolarHBondContact O-N 2.95Å; V53-L57 PolarHBondContact O-N 2.87Å |
| 54 | F | 88.3 | Confident | 84.4 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.9 | -35 | 178.3 | -168.1 | -100.3 | 0 | 0 | 0 | 112.9 | S37 T40 A41 Y50 G51 F52 L57 S58 Y96 | S37-F54 WeakPolarHBondContact O-CE1 3.31Å; T40-F54 HydrophobicContact CG2-CE1 4.47Å; T40-F54 HydrophobicContact CG2-CZ 4.09Å; A41-F54 HydrophobicContact CB-CD1 3.94Å; A41-F54 HydrophobicContact CB-CE1 4.41Å; Y50-F54 PolarHBondContact O-N 3.45Å; G51-F54 PolarHBondContact O-N 3.49Å; F52-F54 VanDerWaalsContact C-N 3.32Å; F52-F54 PolarHBondContact O-N 3.15Å; F54-L57 PolarHBondContact O-N 3.32Å; F54-S58 WeakPolarHBondContact O-CB 3.39Å; F54-S58 PolarHBondContact O-N 3.38Å; F54-S58 PolarHBondContact O-OG 3.32Å; F54-Y96 HydrophobicContact CD1-CE2 4.46Å |
| 55 | Y | 87.6 | Confident | 84.3 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 173 | 178.1 | -101.7 | 0 | 0 | 0 | 112.4 | G51 F52 V53 L57 S58 S59 L89 L93 Y96 | G51-Y55 PolarHBondContact O-N 3.23Å; F52-Y55 WeakPolarHBondContact O-CB 3.44Å; F52-Y55 PolarHBondContact O-N 2.99Å; V53-Y55 VanDerWaalsContact C-N 3.29Å; V53-Y55 PolarHBondContact O-N 2.89Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-L57 PolarHBondContact O-N 3.46Å; Y55-S58 PolarHBondContact O-N 3.33Å; Y55-S59 WeakPolarHBondContact O-CB 3.49Å; Y55-S59 PolarHBondContact O-N 3.39Å; Y55-S59 PolarHBondContact O-OG 3.29Å; Y55-L89 HydrophobicContact CE1-CD2 4.43Å; Y55-L89 PolarHBondContact OH-O 2.94Å; Y55-L93 HydrophobicContact CD1-CD1 3.64Å; Y55-L93 HydrophobicContact CE1-CB 4.4Å; Y55-L93 HydrophobicContact CE1-CD1 3.52Å; Y55-L93 HydrophobicContact CG-CD1 4.27Å; Y55-L93 PolarHBondContact OH-N 3.32Å; Y55-Y96 AromaticContact CD2-CD1 3.82Å; Y55-Y96 HydrophobicContact CD2-CD1 3.82Å; Y55-Y96 AromaticContact CD2-CD2 3.64Å; Y55-Y96 HydrophobicContact CD2-CD2 3.64Å; Y55-Y96 HydrophobicContact CD2-CE1 4.41Å; Y55-Y96 HydrophobicContact CD2-CE2 4.24Å; Y55-Y96 AromaticContact CD2-CG 3.41Å; Y55-Y96 HydrophobicContact CD2-CG 3.41Å; Y55-Y96 VanDerWaalsContact CD2-CG 3.41Å; Y55-Y96 HydrophobicContact CE2-CD2 4.48Å; Y55-Y96 HydrophobicContact CE2-CG 4.09Å; Y55-Y96 HydrophobicContact CG-CD1 4.14Å; Y55-Y96 HydrophobicContact CG-CD2 4.46Å; Y55-Y96 HydrophobicContact CG-CE1 4.42Å; Y55-Y96 HydrophobicContact CG-CG 4.18Å |
| 56 | F | 86.1 | Confident | 84.1 | Confident | 129 Ų | 129 | 70.6 Ų | 70.6 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 175.5 | -80.7 | -70.8 | 0 | 0 | 0 | 111.8 | F52 V53 S59 F60 | F52-F56 HydrophobicContact CD1-CD2 4.12Å; F52-F56 AromaticContact CD1-CE2 3.62Å; F52-F56 HydrophobicContact CD1-CE2 3.62Å; F52-F56 AromaticContact CE1-CE2 3.72Å; F52-F56 HydrophobicContact CE1-CE2 3.72Å; F52-F56 HydrophobicContact CE1-CZ 4.34Å; F52-F56 WeakPolarHBondContact O-CD2 3.39Å; F52-F56 PolarHBondContact O-N 3.47Å; V53-F56 PolarHBondContact O-N 2.95Å; F56-S59 PolarHBondContact O-N 3.2Å; F56-F60 WeakPolarHBondContact O-CB 3.47Å; F56-F60 PolarHBondContact O-N 2.88Å |
| 57 | L | 89.3 | Confident | 83.9 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 56% | 0.56 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 176.3 | -170.2 | 66.2 | 0 | 0 | 0 | 111.5 | V53 F54 Y55 F60 L61 | V53-L57 PolarHBondContact O-N 2.87Å; F54-L57 PolarHBondContact O-N 3.32Å; Y55-L57 VanDerWaalsContact C-N 3.32Å; Y55-L57 PolarHBondContact O-N 3.46Å; L57-F60 PolarHBondContact O-N 3.29Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 PolarHBondContact O-N 3.01Å |
| 58 | S | 87.3 | Confident | 83.6 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 176.9 | -65 | 0 | 0 | 0 | 0 | 112.3 | S37 F54 Y55 F60 L61 L62 | S37-S58 VanDerWaalsContact CB-OG 3.25Å; S37-S58 WeakPolarHBondContact CB-OG 3.5Å; F54-S58 WeakPolarHBondContact O-CB 3.39Å; F54-S58 PolarHBondContact O-N 3.38Å; F54-S58 PolarHBondContact O-OG 3.32Å; Y55-S58 PolarHBondContact O-N 3.33Å; S58-F60 VanDerWaalsContact C-N 3.34Å; S58-L61 PolarHBondContact O-N 2.94Å; S58-L62 WeakPolarHBondContact O-CB 3.25Å; S58-L62 PolarHBondContact O-N 2.63Å |
| 59 | S | 83.9 | Confident | 83.3 | Confident | 18 Ų | 18 | 80.7 Ų | 80.7 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 174.7 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | Y55 F56 S63 | Y55-S59 WeakPolarHBondContact O-CB 3.49Å; Y55-S59 PolarHBondContact O-N 3.39Å; Y55-S59 PolarHBondContact O-OG 3.29Å; F56-S59 PolarHBondContact O-N 3.2Å; S59-S63 WeakPolarHBondContact O-CB 3.48Å; S59-S63 PolarHBondContact O-N 2.87Å; S59-S63 VanDerWaalsContact O-N 3.08Å; S59-S63 PolarHBondContact O-OG 2.75Å |
| 60 | F | 84.8 | Confident | 82.6 | Confident | 125 Ų | 125 | 75.2 Ų | 75.2 | 55% | 0.548 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 173.2 | -174.1 | -100 | 0 | 0 | 0 | 111.3 | F56 L57 S58 S63 L64 | F56-F60 WeakPolarHBondContact O-CB 3.47Å; F56-F60 PolarHBondContact O-N 2.88Å; L57-F60 PolarHBondContact O-N 3.29Å; S58-F60 VanDerWaalsContact C-N 3.34Å; F60-S63 CarbonylContact O-C 3.59Å; F60-S63 WeakPolarHBondContact O-CB 3.38Å; F60-S63 PolarHBondContact O-N 3.41Å; F60-S63 VanDerWaalsContact O-N 3.17Å; F60-L64 PolarHBondContact O-N 3.28Å |
| 61 | L | 87 | Confident | 81.6 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 51% | 0.508 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.8 | -166.9 | 71.5 | 0 | 0 | 0 | 111.6 | L57 S58 S63 L64 L65 | L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 PolarHBondContact O-N 3.01Å; S58-L61 PolarHBondContact O-N 2.94Å; L61-S63 VanDerWaalsContact C-N 3.29Å; L61-S63 PolarHBondContact O-N 3Å; L61-L64 WeakPolarHBondContact O-CB 3.43Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-L65 VanDerWaalsContact O-CG 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.44Å; L61-L65 PolarHBondContact O-N 3.5Å |
| 62 | L | 84.2 | Confident | 79.9 | Confident | 20 Ų | 20 | 81.6 Ų | 81.6 | 11% | 0.105 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 173.3 | 178 | 66.5 | 0 | 0 | 0 | 110.7 | R30 V33 S58 L64 L65 L66 | R30-L62 HydrophobicContact CB-CD2 4.19Å; R30-L62 HydrophobicContact CG-CD2 3.44Å; R30-L62 VanDerWaalsContact CG-CD2 3.44Å; V33-L62 HydrophobicContact CB-CD1 4.48Å; V33-L62 HydrophobicContact CB-CD2 4.48Å; V33-L62 HydrophobicContact CG1-CB 4.33Å; V33-L62 HydrophobicContact CG2-CD1 3.97Å; S58-L62 WeakPolarHBondContact O-CB 3.25Å; S58-L62 PolarHBondContact O-N 2.63Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.37Å; L62-L65 PolarHBondContact O-N 3.07Å; L62-L66 HydrophobicContact CD1-CG 4.43Å; L62-L66 HydrophobicContact CG-CD1 4.22Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.35Å; L62-L66 PolarHBondContact O-N 3.47Å |
| 63 | S | 79.5 | Confident | 78.4 | Confident | 21 Ų | 21 | 86 Ų | 86 | 15% | 0.147 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 176.7 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | S59 F60 L61 L66 I67 F85 | S59-S63 WeakPolarHBondContact O-CB 3.48Å; S59-S63 PolarHBondContact O-N 2.87Å; S59-S63 VanDerWaalsContact O-N 3.08Å; S59-S63 PolarHBondContact O-OG 2.75Å; F60-S63 CarbonylContact O-C 3.59Å; F60-S63 WeakPolarHBondContact O-CB 3.38Å; F60-S63 PolarHBondContact O-N 3.41Å; F60-S63 VanDerWaalsContact O-N 3.17Å; L61-S63 VanDerWaalsContact C-N 3.29Å; L61-S63 PolarHBondContact O-N 3Å; S63-L66 PolarHBondContact O-N 2.94Å; S63-I67 WeakPolarHBondContact O-CD1 3.38Å; S63-I67 WeakPolarHBondContact O-CG1 3.33Å; S63-I67 PolarHBondContact O-N 3.28Å; S63-F85 VanDerWaalsContact OG-CE2 3.25Å; S63-F85 WeakPolarHBondContact OG-CE2 3.1Å |
| 64 | L | 81.9 | Confident | 76.6 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.6 | -170.1 | 70.3 | 0 | 0 | 0 | 112 | F60 L61 L62 L66 I67 L68 | F60-L64 PolarHBondContact O-N 3.28Å; L61-L64 WeakPolarHBondContact O-CB 3.43Å; L61-L64 PolarHBondContact O-N 3.39Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 3.37Å; L64-L66 VanDerWaalsContact C-N 3.3Å; L64-L66 PolarHBondContact O-N 2.86Å; L64-I67 WeakPolarHBondContact O-CA 3.46Å; L64-I67 WeakPolarHBondContact O-CB 3.31Å; L64-I67 PolarHBondContact O-N 3.39Å; L64-L68 HydrophobicContact CG-CD1 4.38Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.5Å |
| 65 | L | 82.5 | Confident | 74.9 | Confident | 96 Ų | 96 | 91 Ų | 91 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 176.4 | -71 | 172.5 | 0 | 0 | 0 | 111.5 | L61 L62 I67 L68 K69 | L61-L65 VanDerWaalsContact O-CG 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.44Å; L61-L65 PolarHBondContact O-N 3.5Å; L62-L65 PolarHBondContact O-N 3.07Å; L65-I67 VanDerWaalsContact C-N 3.34Å; L65-L68 PolarHBondContact O-N 3.15Å; L65-K69 WeakPolarHBondContact O-CB 3.34Å; L65-K69 PolarHBondContact O-N 3.18Å |
| 66 | L | 78.1 | Confident | 73.2 | Confident | 41 Ų | 41 | 94.1 Ų | 94.1 | 22% | 0.215 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 173 | -67.2 | 175 | 0 | 0 | 0 | 111.8 | L26 L62 S63 L64 K69 A70 | L26-L66 HydrophobicContact CD2-CD1 3.57Å; L26-L66 HydrophobicContact CD2-CD2 3.36Å; L26-L66 HydrophobicContact CD2-CG 4.08Å; L62-L66 HydrophobicContact CD1-CG 4.43Å; L62-L66 HydrophobicContact CG-CD1 4.22Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.35Å; L62-L66 PolarHBondContact O-N 3.47Å; S63-L66 PolarHBondContact O-N 2.94Å; L64-L66 VanDerWaalsContact C-N 3.3Å; L64-L66 PolarHBondContact O-N 2.86Å; L66-K69 PolarHBondContact O-N 3.34Å; L66-A70 WeakPolarHBondContact O-CB 3.16Å; L66-A70 PolarHBondContact O-N 3.06Å |
| 67 | I | 74 | Confident | 71.5 | Confident | 78 Ų | 78 | 90.3 Ų | 90.3 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.7 | -53.4 | 170.2 | -65.6 | 156 | 0 | 0 | 0 | 112.1 | S63 L64 L65 A70 G71 W74 | S63-I67 WeakPolarHBondContact O-CD1 3.38Å; S63-I67 WeakPolarHBondContact O-CG1 3.33Å; S63-I67 PolarHBondContact O-N 3.28Å; L64-I67 WeakPolarHBondContact O-CA 3.46Å; L64-I67 WeakPolarHBondContact O-CB 3.31Å; L64-I67 PolarHBondContact O-N 3.39Å; L65-I67 VanDerWaalsContact C-N 3.34Å; I67-A70 PolarHBondContact O-N 3Å; I67-G71 PolarHBondContact O-N 3.44Å; I67-G71 VanDerWaalsContact O-N 3.12Å; I67-W74 HydrophobicContact CB-CH2 4Å; I67-W74 HydrophobicContact CB-CZ2 3.82Å; I67-W74 HydrophobicContact CD1-CH2 4.3Å; I67-W74 HydrophobicContact CG1-CH2 3.17Å; I67-W74 HydrophobicContact CG1-CZ2 3.52Å; I67-W74 HydrophobicContact CG1-CZ3 3.98Å; I67-W74 HydrophobicContact CG2-CH2 4.37Å; I67-W74 HydrophobicContact CG2-CZ2 4.14Å; I67-W74 PolarHBondContact O-NE1 3.12Å |
| 68 | L | 76.8 | Confident | 69.8 | Low | 126 Ų | 126 | 88.2 Ų | 88.2 | 66% | 0.66 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 179.4 | -64.9 | 171 | 0 | 0 | 0 | 111.6 | L64 L65 G71 | L64-L68 HydrophobicContact CG-CD1 4.38Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.5Å; L65-L68 PolarHBondContact O-N 3.15Å; L68-G71 PolarHBondContact O-N 3.43Å |
| 69 | K | 74.3 | Confident | 68 | Low | 194 Ų | 194 | 98.1 Ų | 98.1 | 84% | 0.843 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 179.5 | -167.7 | 84.9 | 176.2 | -177.7 | 0 | 112.5 | L65 L66 | L65-K69 WeakPolarHBondContact O-CB 3.34Å; L65-K69 PolarHBondContact O-N 3.18Å; L66-K69 PolarHBondContact O-N 3.34Å |
| 70 | A | 66.8 | Low | 66.3 | Low | 32 Ų | 32 | 100 Ų | 100 | 26% | 0.264 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -84 | -16 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | L66 I67 W74 | L66-A70 WeakPolarHBondContact O-CB 3.16Å; L66-A70 PolarHBondContact O-N 3.06Å; I67-A70 PolarHBondContact O-N 3Å; A70-W74 VanDerWaalsContact C-CD1 3.43Å; A70-W74 VanDerWaalsContact C-NE1 3.26Å; A70-W74 HydrophobicContact CB-CZ2 3.94Å |
| 71 | G | 63.7 | Low | 64.7 | Low | 44 Ų | 44 | 103.5 Ų | 103.5 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | 55.7 | -134.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | I67 L68 R73 W74 | I67-G71 PolarHBondContact O-N 3.44Å; I67-G71 VanDerWaalsContact O-N 3.12Å; L68-G71 PolarHBondContact O-N 3.43Å; G71-R73 VanDerWaalsContact C-N 3.34Å; G71-R73 PolarHBondContact O-N 3.18Å; G71-W74 PolarHBondContact O-NE1 2.98Å |
| 72 | R | 48.5 | Very low | 62.9 | Low | 262 Ų | 262 | 108.7 Ų | 108.7 | 99% | 0.989 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -88 | 5.6 | -171.7 | -156.5 | 150.9 | 133.9 | 165.8 | -5.2 | 114.2 | ||
| 73 | R | 54.1 | Low | 61.4 | Low | 179 Ų | 179 | 114 Ų | 114 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -112.3 | 19.5 | -174.1 | -136.4 | 175.6 | -175.9 | -153.7 | 1.5 | 113.7 | G71 N75 K76 C77 | G71-R73 VanDerWaalsContact C-N 3.34Å; G71-R73 PolarHBondContact O-N 3.18Å; R73-N75 VanDerWaalsContact C-N 3.31Å; R73-N75 PolarHBondContact O-N 3.17Å; R73-K76 HydrophobicContact CG-CB 4.27Å; R73-K76 HydrophobicContact CG-CD 4.32Å; R73-K76 PolarHBondContact O-N 2.71Å; R73-C77 PolarHBondContact O-N 2.9Å |
| 74 | W | 51 | Low | 60.4 | Low | 85 Ų | 85 | 114.6 Ų | 114.6 | 32% | 0.322 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -53.3 | -41.7 | -178 | -84.5 | 41.6 | 0 | 0 | 0 | 114.2 | I67 A70 G71 K76 | I67-W74 HydrophobicContact CB-CH2 4Å; I67-W74 HydrophobicContact CB-CZ2 3.82Å; I67-W74 HydrophobicContact CD1-CH2 4.3Å; I67-W74 HydrophobicContact CG1-CH2 3.17Å; I67-W74 HydrophobicContact CG1-CZ2 3.52Å; I67-W74 HydrophobicContact CG1-CZ3 3.98Å; I67-W74 HydrophobicContact CG2-CH2 4.37Å; I67-W74 HydrophobicContact CG2-CZ2 4.14Å; I67-W74 PolarHBondContact O-NE1 3.12Å; A70-W74 VanDerWaalsContact C-CD1 3.43Å; A70-W74 VanDerWaalsContact C-NE1 3.26Å; A70-W74 HydrophobicContact CB-CZ2 3.94Å; G71-W74 PolarHBondContact O-NE1 2.98Å; W74-K76 PolarHBondContact O-N 3.37Å |
| 75 | N | 51.9 | Low | 59.2 | Low | 165 Ų | 165 | 115.9 Ų | 115.9 | 88% | 0.882 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70 | -13.6 | -179.1 | -106.2 | -36.1 | 0 | 0 | 0 | 114.3 | R73 | R73-N75 VanDerWaalsContact C-N 3.31Å; R73-N75 PolarHBondContact O-N 3.17Å |
| 76 | K | 52.1 | Low | 58 | Low | 73 Ų | 73 | 115.9 Ų | 115.9 | 32% | 0.317 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -108.4 | -10.2 | -176.1 | -58.5 | -174.2 | 159.2 | -168.7 | 0 | 113.6 | E9 I14 R73 W74 | E9-K76 IonicContact OE1-NZ 3.87Å; I14-K76 WeakPolarHBondContact CD1-O 3.26Å; R73-K76 HydrophobicContact CG-CB 4.27Å; R73-K76 HydrophobicContact CG-CD 4.32Å; R73-K76 PolarHBondContact O-N 2.71Å; W74-K76 PolarHBondContact O-N 3.37Å |
| 77 | C | 50.9 | Low | 57.2 | Low | 49 Ų | 49 | 116.3 Ų | 116.3 | 33% | 0.331 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -113.2 | -23 | -172.9 | -138.4 | 0 | 0 | 0 | 0 | 113.8 | R73 | R73-C77 PolarHBondContact O-N 2.9Å |
| 78 | F | 52 | Low | 56.9 | Low | 63 Ų | 63 | 113.2 Ų | 113.2 | 28% | 0.276 | 55% | 0.545 | S | S | . | . | trans | -134.7 | 112.8 | -175.6 | -72.2 | -73.9 | 0 | 0 | 0 | 113 | L26 S80 L84 | L26-F78 HydrophobicContact CD1-CE1 3.53Å; L26-F78 HydrophobicContact CD1-CZ 3.58Å; F78-S80 VanDerWaalsContact C-N 3.27Å; F78-S80 PolarHBondContact O-N 2.85Å; F78-L84 HydrophobicContact CB-CD1 3.79Å; F78-L84 HydrophobicContact CD1-CD1 3.47Å; F78-L84 VanDerWaalsContact CD1-CD1 3.47Å; F78-L84 HydrophobicContact CD1-CD2 3.83Å; F78-L84 HydrophobicContact CD1-CG 3.75Å; F78-L84 HydrophobicContact CD2-CD1 3.9Å; F78-L84 HydrophobicContact CE1-CD1 4.01Å; F78-L84 HydrophobicContact CE1-CD2 3.59Å; F78-L84 HydrophobicContact CE1-CG 4.07Å; F78-L84 HydrophobicContact CE2-CD1 4.38Å; F78-L84 HydrophobicContact CG-CD1 3.42Å; F78-L84 VanDerWaalsContact CG-CD1 3.42Å; F78-L84 HydrophobicContact CG-CG 4.23Å; F78-L84 HydrophobicContact CZ-CD1 4.43Å; F78-L84 HydrophobicContact CZ-CD2 4.13Å | ||
| 79 | K | 49.5 | Very low | 56.6 | Low | 221 Ų | 221 | 109.8 Ų | 109.8 | 96% | 0.961 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -72.1 | -15.1 | 179.3 | -150.4 | 174.4 | -175.7 | 176.9 | 0 | 113.1 | ||
| 80 | S | 48.3 | Very low | 56.7 | Low | 57 Ų | 57 | 105.4 Ų | 105.4 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | trans | -154.3 | 119.9 | 177.8 | -172.9 | 0 | 0 | 0 | 0 | 113.2 | F78 R82 | F78-S80 VanDerWaalsContact C-N 3.27Å; F78-S80 PolarHBondContact O-N 2.85Å; S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 3.34Å | ||
| 81 | R | 51.2 | Low | 57.3 | Low | 199 Ų | 199 | 106.1 Ų | 106.1 | 75% | 0.751 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26 | 172.7 | -86.1 | 179.6 | -87.2 | -162.5 | -4.9 | 113.2 | F85 | R81-F85 PolarHBondContact O-N 3.02Š|
| 82 | R | 49.7 | Very low | 58.3 | Low | 206 Ų | 206 | 104.2 Ų | 104.2 | 78% | 0.777 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -41.9 | -177.8 | -62.6 | -172.4 | -151.9 | -164.5 | 5.8 | 111.6 | S80 L84 F85 T86 | S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 3.34Å; R82-L84 PolarHBondContact O-N 3.34Å; R82-F85 PolarHBondContact O-N 2.92Å; R82-T86 PolarHBondContact O-N 3.42Å; R82-T86 PolarHBondContact O-OG1 3.44Å |
| 83 | L | 53.5 | Low | 60.1 | Low | 130 Ų | 130 | 93.9 Ų | 93.9 | 68% | 0.681 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.6 | -33.8 | 177.5 | -159.1 | 74.9 | 0 | 0 | 0 | 111.9 | R30 F85 G87 | R30-L83 PolarHBondContact NH2-O 3.48Å; L83-F85 VanDerWaalsContact C-N 3.27Å; L83-F85 PolarHBondContact O-N 3.12Å; L83-G87 WeakPolarHBondContact O-CA 3.24Å; L83-G87 PolarHBondContact O-N 3.32Å; L83-G87 VanDerWaalsContact O-N 3.09Å |
| 84 | L | 58.4 | Low | 61.8 | Low | 34 Ų | 34 | 92.1 Ų | 92.1 | 18% | 0.178 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -69.8 | -15.1 | 170.7 | -83.6 | 178.4 | 0 | 0 | 0 | 115.4 | L26 R30 F78 R82 | L26-L84 HydrophobicContact CD1-CD2 3.32Å; L26-L84 HydrophobicContact CD2-CD2 4.5Å; R30-L84 PolarHBondContact NH2-O 3.47Å; F78-L84 HydrophobicContact CB-CD1 3.79Å; F78-L84 HydrophobicContact CD1-CD1 3.47Å; F78-L84 VanDerWaalsContact CD1-CD1 3.47Å; F78-L84 HydrophobicContact CD1-CD2 3.83Å; F78-L84 HydrophobicContact CD1-CG 3.75Å; F78-L84 HydrophobicContact CD2-CD1 3.9Å; F78-L84 HydrophobicContact CE1-CD1 4.01Å; F78-L84 HydrophobicContact CE1-CD2 3.59Å; F78-L84 HydrophobicContact CE1-CG 4.07Å; F78-L84 HydrophobicContact CE2-CD1 4.38Å; F78-L84 HydrophobicContact CG-CD1 3.42Å; F78-L84 VanDerWaalsContact CG-CD1 3.42Å; F78-L84 HydrophobicContact CG-CG 4.23Å; F78-L84 HydrophobicContact CZ-CD1 4.43Å; F78-L84 HydrophobicContact CZ-CD2 4.13Å; R82-L84 PolarHBondContact O-N 3.34Å |
| 85 | F | 56.2 | Low | 63.6 | Low | 100 Ų | 100 | 89.9 Ų | 89.9 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -105.8 | -45 | 178.9 | -139.5 | -90.4 | 0 | 0 | 0 | 110.7 | S63 R81 R82 L83 L89 | S63-F85 VanDerWaalsContact OG-CE2 3.25Å; S63-F85 WeakPolarHBondContact OG-CE2 3.1Å; R81-F85 PolarHBondContact O-N 3.02Å; R82-F85 PolarHBondContact O-N 2.92Å; L83-F85 VanDerWaalsContact C-N 3.27Å; L83-F85 PolarHBondContact O-N 3.12Å; F85-L89 WeakPolarHBondContact O-CD1 3.42Å; F85-L89 VanDerWaalsContact O-CG 3.26Å; F85-L89 WeakPolarHBondContact O-CG 3.4Å |
| 86 | T | 57.5 | Low | 65.5 | Low | 95 Ų | 95 | 82.1 Ų | 82.1 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -101.6 | -16.2 | -171.4 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | R82 G88 | R82-T86 PolarHBondContact O-N 3.42Å; R82-T86 PolarHBondContact O-OG1 3.44Å; T86-G88 PolarHBondContact O-N 3.02Å; T86-G88 VanDerWaalsContact O-N 3.07Å |
| 87 | G | 61.6 | Low | 67.3 | Low | 50 Ų | 50 | 81.1 Ų | 81.1 | 52% | 0.515 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | L83 | L83-G87 WeakPolarHBondContact O-CA 3.24Å; L83-G87 PolarHBondContact O-N 3.32Å; L83-G87 VanDerWaalsContact O-N 3.09Å |
| 88 | G | 66.8 | Low | 69.1 | Low | 14 Ų | 14 | 84.5 Ų | 84.5 | 14% | 0.144 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148.3 | 11.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T86 G92 | T86-G88 PolarHBondContact O-N 3.02Å; T86-G88 VanDerWaalsContact O-N 3.07Å; G88-G92 PolarHBondContact O-N 3.06Å; G88-G92 VanDerWaalsContact O-N 3.13Å |
| 89 | L | 70.7 | Confident | 70.9 | Confident | 53 Ų | 53 | 85.6 Ų | 85.6 | 28% | 0.277 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 178.9 | -79.7 | 168.7 | 0 | 0 | 0 | 111.7 | Y55 F85 G91 G92 L93 | Y55-L89 HydrophobicContact CE1-CD2 4.43Å; Y55-L89 PolarHBondContact OH-O 2.94Å; F85-L89 WeakPolarHBondContact O-CD1 3.42Å; F85-L89 VanDerWaalsContact O-CG 3.26Å; F85-L89 WeakPolarHBondContact O-CG 3.4Å; L89-G91 PolarHBondContact O-N 3.39Å; L89-G92 PolarHBondContact O-N 2.9Å; L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 PolarHBondContact O-N 3.32Å |
| 90 | V | 76.8 | Confident | 72.8 | Confident | 102 Ų | 102 | 76.6 Ų | 76.6 | 62% | 0.618 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | L93 F94 | V90-L93 WeakPolarHBondContact O-CB 3.4Å; V90-L93 PolarHBondContact O-N 3.29Å; V90-F94 HydrophobicContact CG1-CE2 4.06Å; V90-F94 VanDerWaalsContact O-CD2 3.26Å; V90-F94 WeakPolarHBondContact O-CD2 3.38Å |
| 91 | G | 78.9 | Confident | 74.6 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 49% | 0.485 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L89 L93 F94 | L89-G91 PolarHBondContact O-N 3.39Å; G91-L93 VanDerWaalsContact C-N 3.3Å; G91-L93 PolarHBondContact O-N 3.27Å; G91-F94 PolarHBondContact O-N 3.01Å |
| 92 | G | 85.6 | Confident | 76.4 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.3 | -31.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S34 G88 L89 F94 T95 Y96 | S34-G92 VanDerWaalsContact CB-O 3.31Å; S34-G92 WeakPolarHBondContact CB-O 3.29Å; S34-G92 WeakPolarHBondContact OG-CA 3.29Å; G88-G92 PolarHBondContact O-N 3.06Å; G88-G92 VanDerWaalsContact O-N 3.13Å; L89-G92 PolarHBondContact O-N 2.9Å; G92-F94 PolarHBondContact O-N 3.46Å; G92-T95 PolarHBondContact O-N 3.14Å; G92-Y96 WeakPolarHBondContact O-CB 3.45Å; G92-Y96 PolarHBondContact O-N 2.94Å |
| 93 | L | 86.3 | Confident | 78.2 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 178.5 | -168.8 | 94.4 | 0 | 0 | 0 | 111.7 | F52 Y55 L89 V90 G91 Y96 V97 | F52-L93 HydrophobicContact CE1-CD1 4.36Å; F52-L93 HydrophobicContact CE2-CD1 4.37Å; F52-L93 HydrophobicContact CZ-CD1 3.86Å; F52-L93 HydrophobicContact CZ-CD2 4.46Å; Y55-L93 HydrophobicContact CD1-CD1 3.64Å; Y55-L93 HydrophobicContact CE1-CB 4.4Å; Y55-L93 HydrophobicContact CE1-CD1 3.52Å; Y55-L93 HydrophobicContact CG-CD1 4.27Å; Y55-L93 PolarHBondContact OH-N 3.32Å; L89-L93 WeakPolarHBondContact O-CB 3.24Å; L89-L93 PolarHBondContact O-N 3.32Å; V90-L93 WeakPolarHBondContact O-CB 3.4Å; V90-L93 PolarHBondContact O-N 3.29Å; G91-L93 VanDerWaalsContact C-N 3.3Å; G91-L93 PolarHBondContact O-N 3.27Å; L93-Y96 WeakPolarHBondContact O-CB 3.45Å; L93-Y96 PolarHBondContact O-N 3.32Å; L93-V97 WeakPolarHBondContact O-CG2 3.3Å; L93-V97 PolarHBondContact O-N 3.22Å |
| 94 | F | 88.2 | Confident | 79.8 | Confident | 142 Ų | 142 | 63.3 Ų | 63.3 | 62% | 0.623 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 178.5 | -75.4 | -72.6 | 0 | 0 | 0 | 111.7 | V90 G91 G92 Y96 V97 L98 | V90-F94 HydrophobicContact CG1-CE2 4.06Å; V90-F94 VanDerWaalsContact O-CD2 3.26Å; V90-F94 WeakPolarHBondContact O-CD2 3.38Å; G91-F94 PolarHBondContact O-N 3.01Å; G92-F94 PolarHBondContact O-N 3.46Å; F94-Y96 VanDerWaalsContact C-N 3.32Å; F94-Y96 PolarHBondContact O-N 2.95Å; F94-V97 PolarHBondContact O-N 2.95Å; F94-L98 WeakPolarHBondContact O-CB 3.27Å; F94-L98 PolarHBondContact O-N 3.01Å |
| 95 | T | 90 | Very high | 80.9 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 23% | 0.233 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.3 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | A35 G92 L98 F99 | A35-T95 HydrophobicContact CB-CG2 4.14Å; G92-T95 PolarHBondContact O-N 3.14Å; T95-L98 PolarHBondContact O-N 3.22Å; T95-F99 HydrophobicContact CG2-CD2 3.99Å; T95-F99 HydrophobicContact CG2-CE2 4.08Å; T95-F99 WeakPolarHBondContact O-CD2 3.47Å; T95-F99 PolarHBondContact O-N 3.47Å; T95-F99 VanDerWaalsContact O-N 3.14Å |
| 96 | Y | 91 | Very high | 82.2 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.4 | -51.8 | 176.5 | 170.9 | -96.1 | 0 | 0 | 0 | 112 | A41 G51 F54 Y55 G92 L93 F94 L98 F99 W100 | A41-Y96 HydrophobicContact CB-CE2 4.22Å; A41-Y96 VanDerWaalsContact CB-OH 3.24Å; A41-Y96 WeakPolarHBondContact CB-OH 3.19Å; G51-Y96 PolarHBondContact O-OH 2.97Å; F54-Y96 HydrophobicContact CD1-CE2 4.46Å; Y55-Y96 AromaticContact CD2-CD1 3.82Å; Y55-Y96 HydrophobicContact CD2-CD1 3.82Å; Y55-Y96 AromaticContact CD2-CD2 3.64Å; Y55-Y96 HydrophobicContact CD2-CD2 3.64Å; Y55-Y96 HydrophobicContact CD2-CE1 4.41Å; Y55-Y96 HydrophobicContact CD2-CE2 4.24Å; Y55-Y96 AromaticContact CD2-CG 3.41Å; Y55-Y96 HydrophobicContact CD2-CG 3.41Å; Y55-Y96 VanDerWaalsContact CD2-CG 3.41Å; Y55-Y96 HydrophobicContact CE2-CD2 4.48Å; Y55-Y96 HydrophobicContact CE2-CG 4.09Å; Y55-Y96 HydrophobicContact CG-CD1 4.14Å; Y55-Y96 HydrophobicContact CG-CD2 4.46Å; Y55-Y96 HydrophobicContact CG-CE1 4.42Å; Y55-Y96 HydrophobicContact CG-CG 4.18Å; G92-Y96 WeakPolarHBondContact O-CB 3.45Å; G92-Y96 PolarHBondContact O-N 2.94Å; L93-Y96 WeakPolarHBondContact O-CB 3.45Å; L93-Y96 PolarHBondContact O-N 3.32Å; F94-Y96 VanDerWaalsContact C-N 3.32Å; F94-Y96 PolarHBondContact O-N 2.95Å; Y96-L98 VanDerWaalsContact C-N 3.32Å; Y96-L98 PolarHBondContact O-N 2.94Å; Y96-F99 PolarHBondContact O-N 3.42Å; Y96-W100 HydrophobicContact CD1-CE3 4.4Å; Y96-W100 HydrophobicContact CE1-CB 4.49Å; Y96-W100 HydrophobicContact CE1-CD2 4.19Å; Y96-W100 AromaticContact CE1-CE3 3.69Å; Y96-W100 HydrophobicContact CE1-CE3 3.69Å; Y96-W100 HydrophobicContact CE1-CZ3 4.29Å; Y96-W100 VanDerWaalsContact O-CB 3.24Å; Y96-W100 WeakPolarHBondContact O-CB 3.49Å; Y96-W100 PolarHBondContact O-N 3.4Å |
| 97 | V | 89.6 | Confident | 83.4 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | -178.5 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L93 F94 W100 T101 | L93-V97 WeakPolarHBondContact O-CG2 3.3Å; L93-V97 PolarHBondContact O-N 3.22Å; F94-V97 PolarHBondContact O-N 2.95Å; V97-W100 PolarHBondContact O-N 3.39Å; V97-T101 HydrophobicContact CG1-CG2 4.34Å; V97-T101 PolarHBondContact O-N 2.96Å; V97-T101 PolarHBondContact O-OG1 2.99Å; V97-T101 VanDerWaalsContact O-OG1 3.06Å |
| 98 | L | 89.9 | Confident | 83.9 | Confident | 119 Ų | 119 | 64.1 Ų | 64.1 | 62% | 0.623 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -54.9 | -53.6 | 175.4 | -95.6 | 157.2 | 0 | 0 | 0 | 112.2 | F94 T95 Y96 T101 F102 | F94-L98 WeakPolarHBondContact O-CB 3.27Å; F94-L98 PolarHBondContact O-N 3.01Å; T95-L98 PolarHBondContact O-N 3.22Å; Y96-L98 VanDerWaalsContact C-N 3.32Å; Y96-L98 PolarHBondContact O-N 2.94Å; L98-T101 PolarHBondContact O-OG1 2.98Å; L98-F102 WeakPolarHBondContact O-CB 3.32Å; L98-F102 PolarHBondContact O-N 3.01Å |
| 99 | F | 89.1 | Confident | 84.2 | Confident | 86 Ų | 86 | 68.6 Ų | 68.6 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 179.8 | -87 | -83.5 | 0 | 0 | 0 | 112.4 | A35 T95 Y96 L103 | A35-F99 HydrophobicContact CB-CD2 3.74Å; A35-F99 HydrophobicContact CB-CE2 3.64Å; A35-F99 HydrophobicContact CB-CG 4.32Å; A35-F99 HydrophobicContact CB-CZ 4.14Å; T95-F99 HydrophobicContact CG2-CD2 3.99Å; T95-F99 HydrophobicContact CG2-CE2 4.08Å; T95-F99 WeakPolarHBondContact O-CD2 3.47Å; T95-F99 PolarHBondContact O-N 3.47Å; T95-F99 VanDerWaalsContact O-N 3.14Å; Y96-F99 PolarHBondContact O-N 3.42Å; F99-L103 WeakPolarHBondContact O-CB 3.14Å; F99-L103 PolarHBondContact O-N 3.28Å |
| 100 | W | 88.6 | Confident | 83.5 | Confident | 33 Ų | 33 | 77.8 Ų | 77.8 | 13% | 0.125 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.7 | -52.5 | 178.5 | 177.1 | 27.4 | 0 | 0 | 0 | 111.7 | G38 A41 L46 G48 Y96 V97 Y104 | G38-W100 VanDerWaalsContact O-CA 3.32Å; G38-W100 WeakPolarHBondContact O-CA 3.42Å; A41-W100 HydrophobicContact CB-CG 4.35Å; L46-W100 VanDerWaalsContact O-CE2 3.25Å; L46-W100 WeakPolarHBondContact O-CZ2 3.43Å; L46-W100 PolarHBondContact O-NE1 3.04Å; G48-W100 WeakPolarHBondContact O-CH2 3.44Å; Y96-W100 HydrophobicContact CD1-CE3 4.4Å; Y96-W100 HydrophobicContact CE1-CB 4.49Å; Y96-W100 HydrophobicContact CE1-CD2 4.19Å; Y96-W100 AromaticContact CE1-CE3 3.69Å; Y96-W100 HydrophobicContact CE1-CE3 3.69Å; Y96-W100 HydrophobicContact CE1-CZ3 4.29Å; Y96-W100 VanDerWaalsContact O-CB 3.24Å; Y96-W100 WeakPolarHBondContact O-CB 3.49Å; Y96-W100 PolarHBondContact O-N 3.4Å; V97-W100 PolarHBondContact O-N 3.39Å; W100-Y104 WeakPolarHBondContact O-CB 3.29Å; W100-Y104 PolarHBondContact O-N 2.91Å |
| 101 | T | 88.1 | Confident | 83.9 | Confident | 82 Ų | 82 | 76.6 Ų | 76.6 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | V97 L98 G105 | V97-T101 HydrophobicContact CG1-CG2 4.34Å; V97-T101 PolarHBondContact O-N 2.96Å; V97-T101 PolarHBondContact O-OG1 2.99Å; V97-T101 VanDerWaalsContact O-OG1 3.06Å; L98-T101 PolarHBondContact O-OG1 2.98Å; T101-G105 PolarHBondContact O-N 3.29Å |
| 102 | F | 88.6 | Confident | 84.1 | Confident | 123 Ų | 123 | 78.2 Ų | 78.2 | 54% | 0.539 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 180 | 177.4 | -107.9 | 0 | 0 | 0 | 111.8 | L98 G105 M106 | L98-F102 WeakPolarHBondContact O-CB 3.32Å; L98-F102 PolarHBondContact O-N 3.01Å; F102-G105 PolarHBondContact O-N 3.45Å; F102-M106 HydrophobicContact CD1-CE 4.22Å; F102-M106 HydrophobicContact CE1-CE 3.49Å; F102-M106 VanDerWaalsContact CE1-CE 3.49Å; F102-M106 HydrophobicContact CE1-SD 4.44Å; F102-M106 HydrophobicContact CZ-CE 3.82Å; F102-M106 HydrophobicContact CZ-SD 4.19Å; F102-M106 PolarHBondContact O-N 3.1Å; F102-M106 VanDerWaalsContact O-N 3.1Å |
| 103 | L | 87.8 | Confident | 84.1 | Confident | 30 Ų | 30 | 82.3 Ų | 82.3 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -74.2 | -33.7 | -179.7 | -79.6 | 166.1 | 0 | 0 | 0 | 112.9 | A39 F99 G105 M106 V107 | A39-L103 HydrophobicContact CB-CD1 3.27Å; F99-L103 WeakPolarHBondContact O-CB 3.14Å; F99-L103 PolarHBondContact O-N 3.28Å; L103-G105 VanDerWaalsContact C-N 3.3Å; L103-G105 PolarHBondContact O-N 2.97Å; L103-M106 HydrophobicContact CD2-CE 3.63Å; L103-M106 PolarHBondContact O-N 3.45Å; L103-V107 WeakPolarHBondContact O-CG2 3.44Å; L103-V107 PolarHBondContact O-N 3.46Å |
| 104 | Y | 85.4 | Confident | 83.9 | Confident | 77 Ų | 77 | 84.4 Ų | 84.4 | 30% | 0.302 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 170.5 | -173.4 | -91.8 | 0 | 0 | 0 | 111.1 | T47 W100 M106 V107 H108 | T47-Y104 HydrophobicContact CG2-CD2 4.46Å; T47-Y104 HydrophobicContact CG2-CE2 3.57Å; T47-Y104 WeakPolarHBondContact CG2-OH 3.39Å; W100-Y104 WeakPolarHBondContact O-CB 3.29Å; W100-Y104 PolarHBondContact O-N 2.91Å; Y104-M106 PolarHBondContact O-N 3Å; Y104-V107 PolarHBondContact O-N 3.25Å; Y104-H108 AromaticContact CD2-CD2 3.89Å; Y104-H108 HydrophobicContact CE1-CB 4.3Å; Y104-H108 HydrophobicContact CE2-CB 4.3Å; Y104-H108 AromaticContact CE2-CD2 3.89Å; Y104-H108 WeakPolarHBondContact O-CB 3.45Å; Y104-H108 PolarHBondContact O-N 3.37Å |
| 105 | G | 82.8 | Confident | 83.7 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 26% | 0.258 | 40% | 0.404 | S | S | . | . | I | π-helix | trans | -61.7 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T101 F102 L103 V109 Y110 | T101-G105 PolarHBondContact O-N 3.29Å; F102-G105 PolarHBondContact O-N 3.45Å; L103-G105 VanDerWaalsContact C-N 3.3Å; L103-G105 PolarHBondContact O-N 2.97Å; G105-V109 VanDerWaalsContact O-CB 3.31Å; G105-V109 WeakPolarHBondContact O-CB 3.31Å; G105-V109 PolarHBondContact O-N 3.39Å; G105-Y110 PolarHBondContact O-N 3.36Å |
| 106 | M | 83.8 | Confident | 83.2 | Confident | 98 Ų | 98 | 83.7 Ų | 83.7 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | I | π-helix | trans | -73.6 | -33.4 | 177.9 | -85.9 | -154.5 | -60 | 0 | 0 | 114.7 | F102 L103 Y104 | F102-M106 HydrophobicContact CD1-CE 4.22Å; F102-M106 HydrophobicContact CE1-CE 3.49Å; F102-M106 VanDerWaalsContact CE1-CE 3.49Å; F102-M106 HydrophobicContact CE1-SD 4.44Å; F102-M106 HydrophobicContact CZ-CE 3.82Å; F102-M106 HydrophobicContact CZ-SD 4.19Å; F102-M106 PolarHBondContact O-N 3.1Å; F102-M106 VanDerWaalsContact O-N 3.1Å; L103-M106 HydrophobicContact CD2-CE 3.63Å; L103-M106 PolarHBondContact O-N 3.45Å; Y104-M106 PolarHBondContact O-N 3Å |
| 107 | V | 82.8 | Confident | 82.7 | Confident | 75 Ų | 75 | 89.6 Ų | 89.6 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | I | π-helix | trans | -94.5 | -33.5 | -172.8 | 175.3 | 0 | 0 | 0 | 0 | 112.6 | L103 Y104 | L103-V107 WeakPolarHBondContact O-CG2 3.44Å; L103-V107 PolarHBondContact O-N 3.46Å; Y104-V107 PolarHBondContact O-N 3.25Å |
| 108 | H | 72 | Confident | 82.2 | Confident | 99 Ų | 99 | 92.4 Ų | 92.4 | 46% | 0.458 | 45% | 0.454 | S | S | . | . | I | π-helix | trans | -106.1 | -21.4 | -173.3 | -78.2 | -89.7 | 0 | 0 | 0 | 114.4 | G45 Y104 | G45-H108 VanDerWaalsContact CA-NE2 3.27Å; G45-H108 WeakPolarHBondContact CA-NE2 3.44Å; Y104-H108 AromaticContact CD2-CD2 3.89Å; Y104-H108 HydrophobicContact CE1-CB 4.3Å; Y104-H108 HydrophobicContact CE2-CB 4.3Å; Y104-H108 AromaticContact CE2-CD2 3.89Å; Y104-H108 WeakPolarHBondContact O-CB 3.45Å; Y104-H108 PolarHBondContact O-N 3.37Å |
| 109 | V | 72.8 | Confident | 81.5 | Confident | 108 Ų | 108 | 90.2 Ų | 90.2 | 66% | 0.655 | 44% | 0.44 | S | S | * | . | I | π-helix | trans | -103.5 | -38.4 | -177.8 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | G105 | G105-V109 VanDerWaalsContact O-CB 3.31Å; G105-V109 WeakPolarHBondContact O-CB 3.31Å; G105-V109 PolarHBondContact O-N 3.39Å |
| 110 | Y | 56.6 | Low | 80.8 | Confident | 246 Ų | 246 | 90.5 Ų | 90.5 | 97% | 0.965 | 45% | 0.445 | S | S | * | . | trans | -98.3 | 0 | 172.7 | -79.8 | -82.7 | 0 | 0 | 0 | 110.9 | G105 | G105-Y110 PolarHBondContact O-N 3.36Š|
Retrieved 110 of 110 residues in 97.8 ms
(Link to these results)