| 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 | 38.5 | Very low | 47.1 | Very low | 249 Ų | 249 | 142.9 Ų | 142.9 | 100% | 1.227 | 78% | 0.781 | S | S | * | * | 0 | 120.6 | 0 | -79.8 | 165.5 | 146.1 | 0 | 0 | 108.3 | G3 | M1-G3 PolarHBondContact O-N 3.49Š| |||
| 2 | R | 36.3 | Very low | 47.7 | Very low | 260 Ų | 260 | 140.1 Ų | 140.1 | 98% | 0.981 | 76% | 0.764 | S | S | * | * | trans | -88.6 | 101.9 | -170.5 | -163.1 | 177.3 | -174.9 | -177.4 | 1 | 108.1 | ||||
| 3 | G | 39.8 | Very low | 48.1 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -78.4 | 123.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1 T5 | M1-G3 PolarHBondContact O-N 3.49Å; G3-T5 PolarHBondContact O-N 3.42Å | ||
| 4 | S | 44.1 | Very low | 48.7 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -71.3 | 119.8 | 173.8 | 55.5 | 0 | 0 | 0 | 0 | 110 | V6 | S4-V6 PolarHBondContact O-N 3.1Å; S4-V6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | T | 47.9 | Very low | 49.6 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -74.6 | 96.5 | 167.3 | -31.8 | 0 | 0 | 0 | 0 | 107.3 | G3 V7 | G3-T5 PolarHBondContact O-N 3.42Å; T5-V7 VanDerWaalsContact C-N 3.35Å; T5-V7 PolarHBondContact O-N 3.01Å | ||
| 6 | V | 53.6 | Low | 50.2 | Low | 123 Ų | 123 | 127.3 Ų | 127.3 | 75% | 0.745 | 70% | 0.698 | S | S | * | * | trans | -69.2 | 98.7 | 167.1 | 179.5 | 0 | 0 | 0 | 0 | 106.5 | S4 N8 | S4-V6 PolarHBondContact O-N 3.1Å; S4-V6 VanDerWaalsContact O-N 3.1Å; V6-N8 PolarHBondContact O-N 2.96Å | ||
| 7 | V | 52 | Low | 51.1 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 71% | 0.709 | 69% | 0.693 | S | S | * | * | trans | -61.9 | 100.4 | 170.3 | 178.3 | 0 | 0 | 0 | 0 | 107 | T5 K9 | T5-V7 VanDerWaalsContact C-N 3.35Å; T5-V7 PolarHBondContact O-N 3.01Å; V7-K9 PolarHBondContact O-N 2.94Å | ||
| 8 | N | 50.8 | Low | 51.9 | Low | 133 Ų | 133 | 127.8 Ų | 127.8 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -63.4 | 99.1 | 171.3 | -176.7 | 2.7 | 0 | 0 | 0 | 107.8 | V6 N10 | V6-N8 PolarHBondContact O-N 2.96Å; N8-N10 VanDerWaalsContact C-N 3.28Å; N8-N10 PolarHBondContact O-N 2.85Å | ||
| 9 | K | 51.8 | Low | 52.7 | Low | 166 Ų | 166 | 126.1 Ų | 126.1 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | -67.1 | 92.1 | 168 | -76.3 | 176.5 | 176.4 | 172.8 | 0 | 107.2 | V7 T11 | V7-K9 PolarHBondContact O-N 2.94Å; K9-T11 HydrophobicContact CB-CG2 4.43Å; K9-T11 PolarHBondContact O-N 2.95Å; K9-T11 PolarHBondContact O-OG1 3.46Å | ||
| 10 | N | 51.2 | Low | 53.2 | Low | 127 Ų | 127 | 122.2 Ų | 122.2 | 68% | 0.679 | 65% | 0.654 | S | S | * | * | trans | -70.3 | 59.9 | 169.3 | 57.5 | -9.7 | 0 | 0 | 0 | 110.9 | N8 N12 G13 | N8-N10 VanDerWaalsContact C-N 3.28Å; N8-N10 PolarHBondContact O-N 2.85Å; N10-N12 PolarHBondContact O-N 3.27Å; N10-G13 PolarHBondContact O-N 2.99Å | ||
| 11 | T | 52.5 | Low | 53.9 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 56% | 0.564 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -7.2 | 173.2 | 39.4 | 0 | 0 | 0 | 0 | 113.7 | K9 | K9-T11 HydrophobicContact CB-CG2 4.43Å; K9-T11 PolarHBondContact O-N 2.95Å; K9-T11 PolarHBondContact O-OG1 3.46Å |
| 12 | N | 53.7 | Low | 55.3 | Low | 109 Ų | 109 | 113 Ų | 113 | 58% | 0.583 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.5 | -26.3 | 177.8 | -145.5 | 52.6 | 0 | 0 | 0 | 112.9 | N10 Q16 | N10-N12 PolarHBondContact O-N 3.27Å; N12-Q16 WeakPolarHBondContact O-CG 3.29Å; N12-Q16 PolarHBondContact O-N 3.15Å |
| 13 | G | 53.3 | Low | 56.7 | Low | 32 Ų | 32 | 102.2 Ų | 102.2 | 33% | 0.33 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.7 | -41.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N10 N15 Q16 M17 | N10-G13 PolarHBondContact O-N 2.99Å; G13-N15 VanDerWaalsContact C-N 3.33Å; G13-N15 PolarHBondContact O-N 3.03Å; G13-Q16 PolarHBondContact O-N 3.25Å; G13-M17 PolarHBondContact O-N 3.42Å |
| 14 | D | 57 | Low | 57.9 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 64% | 0.642 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -38.4 | -179.1 | -64 | -23.4 | 0 | 0 | 0 | 111.8 | M17 Y18 | D14-M17 PolarHBondContact O-N 2.91Å; D14-Y18 VanDerWaalsContact O-CB 3.29Å; D14-Y18 WeakPolarHBondContact O-CB 3.44Å; D14-Y18 PolarHBondContact O-N 3.02Å |
| 15 | N | 62 | Low | 58.8 | Low | 106 Ų | 106 | 102.1 Ų | 102.1 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | 177.5 | -71.7 | -20.6 | 0 | 0 | 0 | 112.3 | G13 L19 | G13-N15 VanDerWaalsContact C-N 3.33Å; G13-N15 PolarHBondContact O-N 3.03Å; N15-L19 WeakPolarHBondContact O-CB 3.49Å; N15-L19 PolarHBondContact O-N 3.48Å |
| 16 | Q | 59.1 | Low | 59.6 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.7 | -45.1 | 177 | -72.8 | -179.2 | -15 | 0 | 0 | 111.4 | N12 G13 Y18 L19 L20 | N12-Q16 WeakPolarHBondContact O-CG 3.29Å; N12-Q16 PolarHBondContact O-N 3.15Å; G13-Q16 PolarHBondContact O-N 3.25Å; Q16-Y18 VanDerWaalsContact C-N 3.34Å; Q16-Y18 PolarHBondContact O-N 3.41Å; Q16-L19 PolarHBondContact O-N 3.29Å; Q16-L20 WeakPolarHBondContact O-CG 3.43Å; Q16-L20 PolarHBondContact O-N 2.7Å |
| 17 | M | 65.1 | Low | 60 | Low | 123 Ų | 123 | 94.9 Ų | 94.9 | 61% | 0.606 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | 174.8 | -75.1 | -65.3 | -70.5 | 0 | 0 | 111.2 | G13 D14 L19 L20 T21 | G13-M17 PolarHBondContact O-N 3.42Å; D14-M17 PolarHBondContact O-N 2.91Å; M17-L19 VanDerWaalsContact C-N 3.35Å; M17-L19 PolarHBondContact O-N 3.4Å; M17-L20 PolarHBondContact O-N 3.01Å; M17-T21 PolarHBondContact O-N 2.92Å; M17-T21 PolarHBondContact O-OG1 3.03Å |
| 18 | Y | 66.4 | Low | 60.5 | Low | 141 Ų | 141 | 96.3 Ų | 96.3 | 55% | 0.553 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59 | -44.1 | 176.6 | -178.5 | -102.2 | 0 | 0 | 0 | 112.7 | D14 Q16 T21 K22 | D14-Y18 VanDerWaalsContact O-CB 3.29Å; D14-Y18 WeakPolarHBondContact O-CB 3.44Å; D14-Y18 PolarHBondContact O-N 3.02Å; Q16-Y18 VanDerWaalsContact C-N 3.34Å; Q16-Y18 PolarHBondContact O-N 3.41Å; Y18-T21 PolarHBondContact O-N 3.03Å; Y18-K22 HydrophobicContact CD1-CD 4.35Å; Y18-K22 HydrophobicContact CE1-CD 3.7Å; Y18-K22 HydrophobicContact CE1-CG 4.39Å; Y18-K22 PolarHBondContact O-N 3.27Å; Y18-K22 WeakPolarHBondContact OH-CE 3.01Å; Y18-K22 PolarHBondContact OH-NZ 3.4Å |
| 19 | L | 65.5 | Low | 60.9 | Low | 94 Ų | 94 | 95.8 Ų | 95.8 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177.8 | -174.3 | 66 | 0 | 0 | 0 | 111.1 | N15 Q16 M17 T21 K22 L23 | N15-L19 WeakPolarHBondContact O-CB 3.49Å; N15-L19 PolarHBondContact O-N 3.48Å; Q16-L19 PolarHBondContact O-N 3.29Å; M17-L19 VanDerWaalsContact C-N 3.35Å; M17-L19 PolarHBondContact O-N 3.4Å; L19-T21 PolarHBondContact O-N 3.01Å; L19-K22 PolarHBondContact O-N 3.46Å; L19-L23 HydrophobicContact CG-CD1 4.11Å; L19-L23 HydrophobicContact CG-CG 4.47Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 2.8Å |
| 20 | L | 64.4 | Low | 61.2 | Low | 49 Ų | 49 | 88.9 Ų | 88.9 | 26% | 0.257 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60 | -45 | 177.3 | -77.3 | 169.9 | 0 | 0 | 0 | 111.9 | Q16 M17 K22 L23 Q24 V46 | Q16-L20 WeakPolarHBondContact O-CG 3.43Å; Q16-L20 PolarHBondContact O-N 2.7Å; M17-L20 PolarHBondContact O-N 3.01Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 2.87Å; L20-L23 PolarHBondContact O-N 2.98Å; L20-Q24 WeakPolarHBondContact O-CB 3.42Å; L20-Q24 WeakPolarHBondContact O-CG 3.18Å; L20-Q24 PolarHBondContact O-N 3.3Å; L20-V46 HydrophobicContact CD2-CG1 4.01Å |
| 21 | T | 67.7 | Low | 61.5 | Low | 73 Ų | 73 | 90.6 Ų | 90.6 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.6 | -56 | 0 | 0 | 0 | 0 | 111.6 | M17 Y18 L19 Q24 T25 | M17-T21 PolarHBondContact O-N 2.92Å; M17-T21 PolarHBondContact O-OG1 3.03Å; Y18-T21 PolarHBondContact O-N 3.03Å; L19-T21 PolarHBondContact O-N 3.01Å; T21-Q24 PolarHBondContact O-N 3.48Å; T21-T25 WeakPolarHBondContact O-CB 3.45Å; T21-T25 PolarHBondContact O-N 2.95Å; T21-T25 PolarHBondContact O-OG1 3.48Å |
| 22 | K | 68 | Low | 61.8 | Low | 104 Ų | 104 | 89.2 Ų | 89.2 | 45% | 0.452 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.8 | -86.1 | -167.7 | 167.1 | 177.4 | 0 | 112.3 | Y18 L19 L20 T25 I26 | Y18-K22 HydrophobicContact CD1-CD 4.35Å; Y18-K22 HydrophobicContact CE1-CD 3.7Å; Y18-K22 HydrophobicContact CE1-CG 4.39Å; Y18-K22 PolarHBondContact O-N 3.27Å; Y18-K22 WeakPolarHBondContact OH-CE 3.01Å; Y18-K22 PolarHBondContact OH-NZ 3.4Å; L19-K22 PolarHBondContact O-N 3.46Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 2.87Å; K22-T25 PolarHBondContact O-N 3.45Å; K22-I26 WeakPolarHBondContact O-CG1 3.04Å; K22-I26 PolarHBondContact O-N 2.86Å |
| 23 | L | 65.5 | Low | 62.1 | Low | 34 Ų | 34 | 91.9 Ų | 91.9 | 18% | 0.178 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 178.4 | -69 | 173.1 | 0 | 0 | 0 | 111.3 | L19 L20 T25 I26 S27 F39 | L19-L23 HydrophobicContact CG-CD1 4.11Å; L19-L23 HydrophobicContact CG-CG 4.47Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 2.8Å; L20-L23 PolarHBondContact O-N 2.98Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.47Å; L23-I26 PolarHBondContact O-N 3.47Å; L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 3.12Å; L23-F39 HydrophobicContact CB-CD1 4.21Å; L23-F39 HydrophobicContact CB-CE1 3.72Å; L23-F39 HydrophobicContact CD2-CD1 4.49Å; L23-F39 HydrophobicContact CD2-CE1 3.59Å; L23-F39 HydrophobicContact CD2-CZ 4.37Å; L23-F39 HydrophobicContact CG-CE1 4.22Å; L23-F39 WeakPolarHBondContact O-CE1 3.43Å |
| 24 | Q | 63.3 | Low | 62.5 | Low | 104 Ų | 104 | 95.2 Ų | 95.2 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 173.6 | -76.3 | 175.6 | -26.1 | 0 | 0 | 112.1 | L20 T21 I26 S27 L28 | L20-Q24 WeakPolarHBondContact O-CB 3.42Å; L20-Q24 WeakPolarHBondContact O-CG 3.18Å; L20-Q24 PolarHBondContact O-N 3.3Å; T21-Q24 PolarHBondContact O-N 3.48Å; Q24-I26 PolarHBondContact O-N 2.84Å; Q24-S27 PolarHBondContact O-N 2.74Å; Q24-L28 WeakPolarHBondContact O-CB 3.29Å; Q24-L28 PolarHBondContact O-N 3.46Å |
| 25 | T | 65 | Low | 62.6 | Low | 70 Ų | 70 | 90.6 Ų | 90.6 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 178.7 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | T21 K22 L23 L28 N29 | T21-T25 WeakPolarHBondContact O-CB 3.45Å; T21-T25 PolarHBondContact O-N 2.95Å; T21-T25 PolarHBondContact O-OG1 3.48Å; K22-T25 PolarHBondContact O-N 3.45Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.47Å; T25-L28 PolarHBondContact O-N 3.37Å; T25-N29 WeakPolarHBondContact O-CB 3.32Å; T25-N29 PolarHBondContact O-N 3.04Å; T25-N29 PolarHBondContact O-ND2 3.26Å |
| 26 | I | 63.3 | Low | 62.4 | Low | 67 Ų | 67 | 88.3 Ų | 88.3 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 176.8 | -60.8 | 163.6 | 0 | 0 | 0 | 110.3 | K22 L23 Q24 L28 N29 S30 F39 | K22-I26 WeakPolarHBondContact O-CG1 3.04Å; K22-I26 PolarHBondContact O-N 2.86Å; L23-I26 PolarHBondContact O-N 3.47Å; Q24-I26 PolarHBondContact O-N 2.84Å; I26-L28 VanDerWaalsContact C-N 3.35Å; I26-L28 PolarHBondContact O-N 3.37Å; I26-N29 PolarHBondContact O-N 3.27Å; I26-S30 WeakPolarHBondContact O-CB 3.46Å; I26-S30 PolarHBondContact O-N 3.02Å; I26-S30 VanDerWaalsContact O-N 3.09Å; I26-S30 PolarHBondContact O-OG 3.28Å; I26-F39 HydrophobicContact CB-CE1 4.45Å; I26-F39 HydrophobicContact CB-CE2 4.1Å; I26-F39 HydrophobicContact CB-CZ 3.59Å; I26-F39 HydrophobicContact CG2-CE2 3.64Å; I26-F39 HydrophobicContact CG2-CZ 3.48Å; I26-F39 VanDerWaalsContact CG2-CZ 3.48Å |
| 27 | S | 62.6 | Low | 62.6 | Low | 34 Ų | 34 | 87 Ų | 87 | 24% | 0.238 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 177.2 | -173.7 | 0 | 0 | 0 | 0 | 113.1 | L23 Q24 S30 | L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 3.12Å; Q24-S27 PolarHBondContact O-N 2.74Å; S27-S30 PolarHBondContact O-OG 3.24Å; S27-S30 VanDerWaalsContact O-OG 3.09Å |
| 28 | L | 61.5 | Low | 62.3 | Low | 147 Ų | 147 | 85.8 Ų | 85.8 | 77% | 0.77 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -72.4 | -33.5 | -179.8 | -171.1 | 70.7 | 0 | 0 | 0 | 111.6 | Q24 T25 I26 | Q24-L28 WeakPolarHBondContact O-CB 3.29Å; Q24-L28 PolarHBondContact O-N 3.46Å; T25-L28 PolarHBondContact O-N 3.37Å; I26-L28 VanDerWaalsContact C-N 3.35Å; I26-L28 PolarHBondContact O-N 3.37Å |
| 29 | N | 60.5 | Low | 62.1 | Low | 122 Ų | 122 | 79.6 Ų | 79.6 | 65% | 0.652 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -88.8 | -6.4 | -179.8 | -67.2 | -20.2 | 0 | 0 | 0 | 113.4 | T25 I26 D31 | T25-N29 WeakPolarHBondContact O-CB 3.32Å; T25-N29 PolarHBondContact O-N 3.04Å; T25-N29 PolarHBondContact O-ND2 3.26Å; I26-N29 PolarHBondContact O-N 3.27Å; N29-D31 PolarHBondContact O-N 2.9Å |
| 30 | S | 57 | Low | 62 | Low | 20 Ų | 20 | 78 Ų | 78 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | trans | -87.9 | 100.9 | 178 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | I26 S27 N32 V35 | I26-S30 WeakPolarHBondContact O-CB 3.46Å; I26-S30 PolarHBondContact O-N 3.02Å; I26-S30 VanDerWaalsContact O-N 3.09Å; I26-S30 PolarHBondContact O-OG 3.28Å; S27-S30 PolarHBondContact O-OG 3.24Å; S27-S30 VanDerWaalsContact O-OG 3.09Å; S30-N32 PolarHBondContact O-N 3.45Å; S30-N32 VanDerWaalsContact O-N 3.09Å; S30-V35 VanDerWaalsContact CB-CG1 3.45Å; S30-V35 WeakPolarHBondContact OG-CG1 3.38Å | ||
| 31 | D | 58.3 | Low | 61.8 | Low | 163 Ų | 163 | 80.2 Ų | 80.2 | 87% | 0.872 | 43% | 0.432 | S | S | * | . | trans | -66.7 | -1.9 | 166.6 | -75.5 | -29.9 | 0 | 0 | 0 | 112.9 | N29 H33 | N29-D31 PolarHBondContact O-N 2.9Å; D31-H33 PolarHBondContact O-N 2.94Å | ||
| 32 | N | 59.6 | Low | 61.5 | Low | 63 Ų | 63 | 77.5 Ų | 77.5 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | trans | -89.8 | 105.8 | 179.5 | -164 | -23.8 | 0 | 0 | 0 | 110 | S30 I34 V35 T36 | S30-N32 PolarHBondContact O-N 3.45Å; S30-N32 VanDerWaalsContact O-N 3.09Å; N32-I34 PolarHBondContact O-N 3.46Å; N32-I34 VanDerWaalsContact OD1-CB 3.32Å; N32-I34 WeakPolarHBondContact OD1-CB 3.3Å; N32-I34 PolarHBondContact OD1-N 2.86Å; N32-V35 HydrophobicContact CB-CB 4.26Å; N32-V35 HydrophobicContact CB-CG2 3.87Å; N32-V35 WeakPolarHBondContact O-CA 3.25Å; N32-V35 WeakPolarHBondContact O-CB 2.96Å; N32-V35 PolarHBondContact O-N 2.87Å; N32-T36 PolarHBondContact O-N 3.07Å | ||
| 33 | H | 60.1 | Low | 61 | Low | 165 Ų | 165 | 77.9 Ų | 77.9 | 76% | 0.764 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -49.6 | -29.7 | 176.7 | -69.4 | -70.2 | 0 | 0 | 0 | 113.9 | D31 S37 | D31-H33 PolarHBondContact O-N 2.94Å; H33-S37 WeakPolarHBondContact O-CB 3.35Å; H33-S37 PolarHBondContact O-N 3.39Å |
| 34 | I | 61.7 | Low | 60.8 | Low | 103 Ų | 103 | 79.5 Ų | 79.5 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.4 | -62.1 | 176.8 | 0 | 0 | 0 | 110 | N32 S37 Y38 | N32-I34 PolarHBondContact O-N 3.46Å; N32-I34 VanDerWaalsContact OD1-CB 3.32Å; N32-I34 WeakPolarHBondContact OD1-CB 3.3Å; N32-I34 PolarHBondContact OD1-N 2.86Å; I34-S37 PolarHBondContact O-N 3.33Å; I34-Y38 HydrophobicContact CG2-CD2 3.65Å; I34-Y38 HydrophobicContact CG2-CE2 3.32Å; I34-Y38 WeakPolarHBondContact O-CD2 3.47Å; I34-Y38 PolarHBondContact O-N 2.9Å |
| 35 | V | 57.8 | Low | 60.6 | Low | 22 Ų | 22 | 75.4 Ų | 75.4 | 13% | 0.133 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 179.8 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | S30 N32 S37 Y38 F39 | S30-V35 VanDerWaalsContact CB-CG1 3.45Å; S30-V35 WeakPolarHBondContact OG-CG1 3.38Å; N32-V35 HydrophobicContact CB-CB 4.26Å; N32-V35 HydrophobicContact CB-CG2 3.87Å; N32-V35 WeakPolarHBondContact O-CA 3.25Å; N32-V35 WeakPolarHBondContact O-CB 2.96Å; N32-V35 PolarHBondContact O-N 2.87Å; V35-S37 PolarHBondContact O-N 3.24Å; V35-Y38 PolarHBondContact O-N 2.83Å; V35-F39 HydrophobicContact CG1-CD2 3.58Å; V35-F39 HydrophobicContact CG1-CE2 3.35Å; V35-F39 WeakPolarHBondContact O-CD2 3.41Å; V35-F39 PolarHBondContact O-N 3.42Å |
| 36 | T | 57.7 | Low | 60.3 | Low | 59 Ų | 59 | 73.3 Ų | 73.3 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.1 | -48.4 | 0 | 0 | 0 | 0 | 112.9 | N32 F39 A40 | N32-T36 PolarHBondContact O-N 3.07Å; T36-F39 WeakPolarHBondContact O-CB 3.39Å; T36-F39 PolarHBondContact O-N 3.34Å; T36-A40 PolarHBondContact O-N 3.5Å |
| 37 | S | 62.7 | Low | 60.2 | Low | 70 Ų | 70 | 73.4 Ų | 73.4 | 49% | 0.49 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | H33 I34 V35 F39 A40 N41 | H33-S37 WeakPolarHBondContact O-CB 3.35Å; H33-S37 PolarHBondContact O-N 3.39Å; I34-S37 PolarHBondContact O-N 3.33Å; V35-S37 PolarHBondContact O-N 3.24Å; S37-F39 PolarHBondContact O-N 3.5Å; S37-A40 PolarHBondContact O-N 3.34Å; S37-N41 PolarHBondContact O-N 3.4Å; S37-N41 PolarHBondContact O-ND2 3.44Å |
| 38 | Y | 60.5 | Low | 60 | Low | 98 Ų | 98 | 75.6 Ų | 75.6 | 38% | 0.384 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 172.9 | -74.9 | -62 | 0 | 0 | 0 | 111.7 | I34 V35 A40 N41 Y42 | I34-Y38 HydrophobicContact CG2-CD2 3.65Å; I34-Y38 HydrophobicContact CG2-CE2 3.32Å; I34-Y38 WeakPolarHBondContact O-CD2 3.47Å; I34-Y38 PolarHBondContact O-N 2.9Å; V35-Y38 PolarHBondContact O-N 2.83Å; Y38-A40 PolarHBondContact O-N 2.86Å; Y38-N41 WeakPolarHBondContact O-CB 3.3Å; Y38-N41 PolarHBondContact O-N 3.41Å; Y38-Y42 WeakPolarHBondContact O-CD2 3.34Å; Y38-Y42 PolarHBondContact O-N 2.71Å |
| 39 | F | 61.9 | Low | 59.7 | Low | 10 Ų | 10 | 72.7 Ų | 72.7 | 4% | 0.044 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 176 | -88.3 | -70.6 | 0 | 0 | 0 | 113.7 | L23 I26 V35 T36 S37 N41 Y42 Q43 F75 | L23-F39 HydrophobicContact CB-CD1 4.21Å; L23-F39 HydrophobicContact CB-CE1 3.72Å; L23-F39 HydrophobicContact CD2-CD1 4.49Å; L23-F39 HydrophobicContact CD2-CE1 3.59Å; L23-F39 HydrophobicContact CD2-CZ 4.37Å; L23-F39 HydrophobicContact CG-CE1 4.22Å; L23-F39 WeakPolarHBondContact O-CE1 3.43Å; I26-F39 HydrophobicContact CB-CE1 4.45Å; I26-F39 HydrophobicContact CB-CE2 4.1Å; I26-F39 HydrophobicContact CB-CZ 3.59Å; I26-F39 HydrophobicContact CG2-CE2 3.64Å; I26-F39 HydrophobicContact CG2-CZ 3.48Å; I26-F39 VanDerWaalsContact CG2-CZ 3.48Å; V35-F39 HydrophobicContact CG1-CD2 3.58Å; V35-F39 HydrophobicContact CG1-CE2 3.35Å; V35-F39 WeakPolarHBondContact O-CD2 3.41Å; V35-F39 PolarHBondContact O-N 3.42Å; T36-F39 WeakPolarHBondContact O-CB 3.39Å; T36-F39 PolarHBondContact O-N 3.34Å; S37-F39 PolarHBondContact O-N 3.5Å; F39-N41 VanDerWaalsContact C-N 3.3Å; F39-N41 PolarHBondContact O-N 2.93Å; F39-Y42 WeakPolarHBondContact O-CB 3.38Å; F39-Y42 PolarHBondContact O-N 3.46Å; F39-Y42 VanDerWaalsContact O-N 3.13Å; F39-Q43 PolarHBondContact O-N 2.78Å; F39-F75 HydrophobicContact CE1-CZ 4.29Å; F39-F75 HydrophobicContact CE2-CE2 4.07Å; F39-F75 HydrophobicContact CE2-CZ 4.02Å; F39-F75 HydrophobicContact CZ-CE2 4.1Å; F39-F75 AromaticContact CZ-CZ 3.64Å; F39-F75 HydrophobicContact CZ-CZ 3.64Å |
| 40 | A | 62.5 | Low | 59.5 | Low | 62 Ų | 62 | 70.3 Ų | 70.3 | 51% | 0.512 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T36 S37 Y38 Y42 Q43 S44 | T36-A40 PolarHBondContact O-N 3.5Å; S37-A40 PolarHBondContact O-N 3.34Å; Y38-A40 PolarHBondContact O-N 2.86Å; A40-Y42 VanDerWaalsContact C-N 3.35Å; A40-Q43 PolarHBondContact O-N 3.34Å; A40-S44 PolarHBondContact O-N 3.49Å; A40-S44 VanDerWaalsContact O-N 3.17Å |
| 41 | N | 61.1 | Low | 59.4 | Low | 94 Ų | 94 | 73.5 Ų | 73.5 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 173.1 | -75.5 | -40.1 | 0 | 0 | 0 | 112.1 | S37 Y38 F39 S44 I45 | S37-N41 PolarHBondContact O-N 3.4Å; S37-N41 PolarHBondContact O-ND2 3.44Å; Y38-N41 WeakPolarHBondContact O-CB 3.3Å; Y38-N41 PolarHBondContact O-N 3.41Å; F39-N41 VanDerWaalsContact C-N 3.3Å; F39-N41 PolarHBondContact O-N 2.93Å; N41-S44 WeakPolarHBondContact O-CB 3.24Å; N41-S44 PolarHBondContact O-N 3.26Å; N41-I45 WeakPolarHBondContact O-CG1 3.33Å; N41-I45 PolarHBondContact O-N 2.87Å; N41-I45 VanDerWaalsContact O-N 3.15Å |
| 42 | Y | 60.9 | Low | 59.1 | Low | 16 Ų | 16 | 71 Ų | 71 | 6% | 0.063 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 173.5 | -84.9 | -71.6 | 0 | 0 | 0 | 113.1 | Y38 F39 A40 S44 I45 V46 F68 H71 C72 F75 | Y38-Y42 WeakPolarHBondContact O-CD2 3.34Å; Y38-Y42 PolarHBondContact O-N 2.71Å; F39-Y42 WeakPolarHBondContact O-CB 3.38Å; F39-Y42 PolarHBondContact O-N 3.46Å; F39-Y42 VanDerWaalsContact O-N 3.13Å; A40-Y42 VanDerWaalsContact C-N 3.35Å; Y42-S44 PolarHBondContact O-N 2.91Å; Y42-I45 PolarHBondContact O-N 2.92Å; Y42-I45 VanDerWaalsContact O-N 3.15Å; Y42-V46 WeakPolarHBondContact O-CG2 3.5Å; Y42-V46 PolarHBondContact O-N 3.34Å; Y42-F68 HydrophobicContact CD1-CE2 4.39Å; Y42-F68 HydrophobicContact CE1-CE2 4.43Å; Y42-H71 PolarHBondContact OH-O 2.94Å; Y42-C72 WeakPolarHBondContact OH-CA 3.5Å; Y42-C72 PolarHBondContact OH-N 3.19Å; Y42-F75 HydrophobicContact CD2-CD2 4.37Å; Y42-F75 HydrophobicContact CE2-CB 3.73Å; Y42-F75 HydrophobicContact CE2-CD1 4.4Å; Y42-F75 AromaticContact CE2-CD2 3.61Å; Y42-F75 HydrophobicContact CE2-CD2 3.61Å; Y42-F75 HydrophobicContact CE2-CE2 4.31Å; Y42-F75 AromaticContact CE2-CG 3.66Å; Y42-F75 HydrophobicContact CE2-CG 3.66Å; Y42-F75 AromaticContact CZ-CG 3.93Å; Y42-F75 WeakPolarHBondContact OH-CB 3.47Å |
| 43 | Q | 58.5 | Low | 58.8 | Low | 113 Ų | 113 | 71.4 Ų | 71.4 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 176.7 | -84.3 | -149.1 | -3.9 | 0 | 0 | 111.8 | F39 A40 I45 S47 | F39-Q43 PolarHBondContact O-N 2.78Å; A40-Q43 PolarHBondContact O-N 3.34Å; Q43-I45 PolarHBondContact O-N 2.83Å; Q43-S47 WeakPolarHBondContact O-CB 3.43Å; Q43-S47 PolarHBondContact O-N 3.5Å |
| 44 | S | 61.2 | Low | 58.6 | Low | 68 Ų | 68 | 68.2 Ų | 68.2 | 48% | 0.476 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 174.5 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | A40 N41 Y42 S47 I48 | A40-S44 PolarHBondContact O-N 3.49Å; A40-S44 VanDerWaalsContact O-N 3.17Å; N41-S44 WeakPolarHBondContact O-CB 3.24Å; N41-S44 PolarHBondContact O-N 3.26Å; Y42-S44 PolarHBondContact O-N 2.91Å; S44-S47 PolarHBondContact O-N 3.35Å; S44-I48 WeakPolarHBondContact O-CD1 3.43Å; S44-I48 VanDerWaalsContact O-CG1 3.3Å; S44-I48 WeakPolarHBondContact O-CG1 3.16Å; S44-I48 PolarHBondContact O-N 2.92Å |
| 45 | I | 57.5 | Low | 58.4 | Low | 17 Ų | 17 | 70.8 Ų | 70.8 | 9% | 0.087 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69 | -42.8 | -179.1 | -60.5 | 164.3 | 0 | 0 | 0 | 112 | N41 Y42 Q43 S47 I48 L49 L64 F68 | N41-I45 WeakPolarHBondContact O-CG1 3.33Å; N41-I45 PolarHBondContact O-N 2.87Å; N41-I45 VanDerWaalsContact O-N 3.15Å; Y42-I45 PolarHBondContact O-N 2.92Å; Y42-I45 VanDerWaalsContact O-N 3.15Å; Q43-I45 PolarHBondContact O-N 2.83Å; I45-S47 VanDerWaalsContact C-N 3.33Å; I45-S47 PolarHBondContact O-N 3.18Å; I45-I48 PolarHBondContact O-N 3.46Å; I45-L49 HydrophobicContact CG2-CD1 4.47Å; I45-L49 PolarHBondContact O-N 3.45Å; I45-L64 HydrophobicContact CG2-CD1 4.32Å; I45-F68 HydrophobicContact CG2-CB 4.39Å; I45-F68 HydrophobicContact CG2-CD2 3.8Å |
| 46 | V | 60.4 | Low | 58.3 | Low | 27 Ų | 27 | 72.5 Ų | 72.5 | 16% | 0.164 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.8 | -38 | 177.8 | 176 | 0 | 0 | 0 | 0 | 110.8 | L20 Y42 I48 L49 T50 | L20-V46 HydrophobicContact CD2-CG1 4.01Å; Y42-V46 WeakPolarHBondContact O-CG2 3.5Å; Y42-V46 PolarHBondContact O-N 3.34Å; V46-I48 VanDerWaalsContact C-N 3.31Å; V46-I48 PolarHBondContact O-N 2.86Å; V46-L49 WeakPolarHBondContact O-CB 3.41Å; V46-L49 PolarHBondContact O-N 2.9Å; V46-L49 VanDerWaalsContact O-N 3.07Å; V46-T50 HydrophobicContact CG1-CG2 4.3Å; V46-T50 WeakPolarHBondContact O-CG2 3.43Å; V46-T50 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.37Å |
| 47 | S | 60.7 | Low | 58.5 | Low | 69 Ų | 69 | 73.1 Ų | 73.1 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | Q43 S44 I45 L49 T50 V51 | Q43-S47 WeakPolarHBondContact O-CB 3.43Å; Q43-S47 PolarHBondContact O-N 3.5Å; S44-S47 PolarHBondContact O-N 3.35Å; I45-S47 VanDerWaalsContact C-N 3.33Å; I45-S47 PolarHBondContact O-N 3.18Å; S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 3.45Å; S47-T50 WeakPolarHBondContact CA-OG1 3.5Å; S47-T50 PolarHBondContact O-N 3.29Å; S47-T50 VanDerWaalsContact O-N 3.12Å; S47-T50 PolarHBondContact O-OG1 3.34Å; S47-V51 PolarHBondContact O-N 3.17Å |
| 48 | I | 58.2 | Low | 58.4 | Low | 80 Ų | 80 | 74.8 Ų | 74.8 | 41% | 0.41 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.3 | -33.6 | 177.3 | -62.1 | 163.1 | 0 | 0 | 0 | 111.7 | S44 I45 V46 L64 | S44-I48 WeakPolarHBondContact O-CD1 3.43Å; S44-I48 VanDerWaalsContact O-CG1 3.3Å; S44-I48 WeakPolarHBondContact O-CG1 3.16Å; S44-I48 PolarHBondContact O-N 2.92Å; I45-I48 PolarHBondContact O-N 3.46Å; V46-I48 VanDerWaalsContact C-N 3.31Å; V46-I48 PolarHBondContact O-N 2.86Å; I48-L64 HydrophobicContact CB-CD2 4.36Å; I48-L64 HydrophobicContact CG2-CD1 4.08Å; I48-L64 HydrophobicContact CG2-CD2 3.61Å |
| 49 | L | 55.9 | Low | 58.3 | Low | 85 Ų | 85 | 74.4 Ų | 74.4 | 45% | 0.445 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.7 | -27.9 | 176.9 | -78 | 154.5 | 0 | 0 | 0 | 113.6 | I45 V46 S47 L64 | I45-L49 HydrophobicContact CG2-CD1 4.47Å; I45-L49 PolarHBondContact O-N 3.45Å; V46-L49 WeakPolarHBondContact O-CB 3.41Å; V46-L49 PolarHBondContact O-N 2.9Å; V46-L49 VanDerWaalsContact O-N 3.07Å; S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 3.45Å; L49-L64 HydrophobicContact CD2-CD2 3.89Å; L49-L64 HydrophobicContact CG-CD2 3.82Å; L49-L64 HydrophobicContact CG-CG 4.45Å |
| 50 | T | 54.8 | Low | 58.4 | Low | 73 Ų | 73 | 76.5 Ų | 76.5 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -82.6 | -14 | 180 | 53.8 | 0 | 0 | 0 | 0 | 114 | V46 S47 P52 | V46-T50 HydrophobicContact CG1-CG2 4.3Å; V46-T50 WeakPolarHBondContact O-CG2 3.43Å; V46-T50 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.37Å; S47-T50 WeakPolarHBondContact CA-OG1 3.5Å; S47-T50 PolarHBondContact O-N 3.29Å; S47-T50 VanDerWaalsContact O-N 3.12Å; S47-T50 PolarHBondContact O-OG1 3.34Å; T50-P52 WeakPolarHBondContact O-CD 3.37Å |
| 51 | V | 56.4 | Low | 58.4 | Low | 87 Ų | 87 | 77.4 Ų | 77.4 | 53% | 0.527 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -66.7 | 123.8 | 168.6 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | S47 S53 | S47-V51 PolarHBondContact O-N 3.17Å; V51-S53 PolarHBondContact O-N 3.49Å |
| 52 | P | 52.1 | Low | 58.5 | Low | 109 Ų | 109 | 78.1 Ų | 78.1 | 71% | 0.708 | 47% | 0.472 | S | S | * | . | trans | -53.5 | 121.4 | -179.1 | 16 | -26.9 | 0 | 0 | 0 | 109.2 | T50 A54 | T50-P52 WeakPolarHBondContact O-CD 3.37Å; P52-A54 PolarHBondContact O-N 3.37Å | ||
| 53 | S | 52.9 | Low | 58.8 | Low | 72 Ų | 72 | 81.2 Ų | 81.2 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -59.6 | 27.5 | -179.1 | 174.5 | 0 | 0 | 0 | 0 | 114.1 | V51 N55 | V51-S53 PolarHBondContact O-N 3.49Å; S53-N55 PolarHBondContact O-N 3.15Å; S53-N55 VanDerWaalsContact O-N 3.15Å |
| 54 | A | 55 | Low | 59.1 | Low | 98 Ų | 98 | 77.1 Ų | 77.1 | 81% | 0.81 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | P52 | P52-A54 PolarHBondContact O-N 3.37Š|
| 55 | N | 57 | Low | 59.1 | Low | 157 Ų | 157 | 77 Ų | 77 | 84% | 0.84 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.3 | 18.7 | -178.8 | -152.6 | 21.5 | 0 | 0 | 0 | 114.5 | S53 | S53-N55 PolarHBondContact O-N 3.15Å; S53-N55 VanDerWaalsContact O-N 3.15Å |
| 56 | I | 57 | Low | 59.5 | Low | 58 Ų | 58 | 81.9 Ų | 81.9 | 30% | 0.297 | 50% | 0.501 | S | S | . | . | trans | -98.8 | 112.8 | -179 | -56.2 | -179.6 | 0 | 0 | 0 | 108.1 | S60 L61 | I56-S60 WeakPolarHBondContact CG2-OG 3.07Å; I56-L61 HydrophobicContact CG2-CB 4.46Å | ||
| 57 | S | 61.5 | Low | 59.8 | Low | 73 Ų | 73 | 85 Ų | 85 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | trans | -56.2 | 142.9 | 175.2 | -52.2 | 0 | 0 | 0 | 0 | 110.8 | P59 S60 | S57-P59 VanDerWaalsContact C-N 3.29Å; S57-S60 PolarHBondContact N-OG 2.91Å; S57-S60 PolarHBondContact O-N 3.36Å; S57-S60 PolarHBondContact O-OG 2.89Å | ||
| 58 | P | 59.9 | Low | 59.9 | Low | 105 Ų | 105 | 84.8 Ų | 84.8 | 68% | 0.682 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -45.3 | -40 | 177.7 | -26.3 | 32.1 | 0 | 0 | 0 | 116.1 | S60 L61 I62 | P58-S60 PolarHBondContact O-N 3.36Å; P58-L61 PolarHBondContact O-N 3.48Å; P58-I62 PolarHBondContact O-N 2.8Å |
| 59 | P | 59.8 | Low | 60.1 | Low | 90 Ų | 90 | 87.3 Ų | 87.3 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.2 | -29.9 | 178.8 | 23 | -33.3 | 0 | 0 | 0 | 114.6 | S57 L61 I62 S63 | S57-P59 VanDerWaalsContact C-N 3.29Å; P59-L61 VanDerWaalsContact C-N 3.34Å; P59-I62 PolarHBondContact O-N 3.14Å; P59-S63 PolarHBondContact O-N 3.15Å |
| 60 | S | 62.9 | Low | 60.6 | Low | 53 Ų | 53 | 87.2 Ų | 87.2 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.8 | -27.4 | 178.5 | 44.1 | 0 | 0 | 0 | 0 | 112 | I56 S57 P58 L64 | I56-S60 WeakPolarHBondContact CG2-OG 3.07Å; S57-S60 PolarHBondContact N-OG 2.91Å; S57-S60 PolarHBondContact O-N 3.36Å; S57-S60 PolarHBondContact O-OG 2.89Å; P58-S60 PolarHBondContact O-N 3.36Å; S60-L64 VanDerWaalsContact O-CB 3.25Å; S60-L64 WeakPolarHBondContact O-CB 3.39Å; S60-L64 PolarHBondContact O-N 3.47Å |
| 61 | L | 62.6 | Low | 60.9 | Low | 82 Ų | 82 | 87.6 Ų | 87.6 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 172.8 | -166.3 | 143.4 | 0 | 0 | 0 | 111.9 | I56 P58 P59 L64 S65 | I56-L61 HydrophobicContact CG2-CB 4.46Å; P58-L61 PolarHBondContact O-N 3.48Å; P59-L61 VanDerWaalsContact C-N 3.34Å; L61-L64 PolarHBondContact O-N 3.25Å; L61-S65 VanDerWaalsContact O-CB 3.29Å; L61-S65 WeakPolarHBondContact O-CB 3.3Å; L61-S65 PolarHBondContact O-N 3.38Å |
| 62 | I | 64 | Low | 61.2 | Low | 108 Ų | 108 | 85 Ų | 85 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.5 | -44.8 | 174.6 | -61.8 | 167.2 | 0 | 0 | 0 | 110.3 | P58 P59 L64 S65 M66 | P58-I62 PolarHBondContact O-N 2.8Å; P59-I62 PolarHBondContact O-N 3.14Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 2.88Å; I62-S65 PolarHBondContact O-N 3.43Å; I62-M66 HydrophobicContact CG2-CG 4.23Å; I62-M66 WeakPolarHBondContact O-CB 3.24Å; I62-M66 VanDerWaalsContact O-CG 3.24Å; I62-M66 WeakPolarHBondContact O-CG 2.95Å; I62-M66 PolarHBondContact O-N 3.24Å |
| 63 | S | 67.1 | Low | 61.8 | Low | 81 Ų | 81 | 82.2 Ų | 82.2 | 57% | 0.566 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.8 | -45.4 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | P59 S65 M66 H67 | P59-S63 PolarHBondContact O-N 3.15Å; S63-S65 PolarHBondContact O-N 2.76Å; S63-M66 PolarHBondContact O-N 3.5Å; S63-H67 VanDerWaalsContact O-CB 3.3Å; S63-H67 WeakPolarHBondContact O-CB 3.15Å; S63-H67 PolarHBondContact O-N 3.36Å |
| 64 | L | 63.6 | Low | 62.3 | Low | 28 Ų | 28 | 81.3 Ų | 81.3 | 15% | 0.147 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 177 | -171.9 | 65.7 | 0 | 0 | 0 | 112 | I45 I48 L49 S60 L61 I62 H67 F68 | I45-L64 HydrophobicContact CG2-CD1 4.32Å; I48-L64 HydrophobicContact CB-CD2 4.36Å; I48-L64 HydrophobicContact CG2-CD1 4.08Å; I48-L64 HydrophobicContact CG2-CD2 3.61Å; L49-L64 HydrophobicContact CD2-CD2 3.89Å; L49-L64 HydrophobicContact CG-CD2 3.82Å; L49-L64 HydrophobicContact CG-CG 4.45Å; S60-L64 VanDerWaalsContact O-CB 3.25Å; S60-L64 WeakPolarHBondContact O-CB 3.39Å; S60-L64 PolarHBondContact O-N 3.47Å; L61-L64 PolarHBondContact O-N 3.25Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 2.88Å; L64-H67 PolarHBondContact O-N 3.4Å; L64-F68 WeakPolarHBondContact O-CB 3.46Å; L64-F68 PolarHBondContact O-N 3.18Å |
| 65 | S | 62.8 | Low | 62.6 | Low | 66 Ų | 66 | 77.8 Ų | 77.8 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 176 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | L61 I62 S63 F68 H69 | L61-S65 VanDerWaalsContact O-CB 3.29Å; L61-S65 WeakPolarHBondContact O-CB 3.3Å; L61-S65 PolarHBondContact O-N 3.38Å; I62-S65 PolarHBondContact O-N 3.43Å; S63-S65 PolarHBondContact O-N 2.76Å; S65-F68 PolarHBondContact O-N 2.92Å; S65-H69 WeakPolarHBondContact O-CB 3.16Å; S65-H69 PolarHBondContact O-N 2.85Å |
| 66 | M | 66 | Low | 63 | Low | 118 Ų | 118 | 75.1 Ų | 75.1 | 58% | 0.581 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.7 | -40.5 | 175.8 | -72 | -67.9 | -80.1 | 0 | 0 | 110.9 | I62 S63 H69 T70 | I62-M66 HydrophobicContact CG2-CG 4.23Å; I62-M66 WeakPolarHBondContact O-CB 3.24Å; I62-M66 VanDerWaalsContact O-CG 3.24Å; I62-M66 WeakPolarHBondContact O-CG 2.95Å; I62-M66 PolarHBondContact O-N 3.24Å; S63-M66 PolarHBondContact O-N 3.5Å; M66-H69 PolarHBondContact O-N 3.09Å; M66-T70 WeakPolarHBondContact O-CB 3.48Å; M66-T70 PolarHBondContact O-N 2.99Å; M66-T70 PolarHBondContact O-OG1 3.07Å |
| 67 | H | 65 | Low | 63.3 | Low | 93 Ų | 93 | 78.2 Ų | 78.2 | 43% | 0.431 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 174.4 | -163.1 | 72.7 | 0 | 0 | 0 | 110.2 | S63 L64 H69 T70 H71 | S63-H67 VanDerWaalsContact O-CB 3.3Å; S63-H67 WeakPolarHBondContact O-CB 3.15Å; S63-H67 PolarHBondContact O-N 3.36Å; L64-H67 PolarHBondContact O-N 3.4Å; H67-H69 VanDerWaalsContact C-N 3.35Å; H67-H69 PolarHBondContact O-N 3.38Å; H67-T70 PolarHBondContact O-N 3.35Å; H67-H71 AromaticContact CD2-CD2 3.54Å; H67-H71 AromaticContact CD2-NE2 3.97Å; H67-H71 AromaticContact CE1-CD2 3.36Å; H67-H71 PolarHBondContact CE1-CD2 3.2Å; H67-H71 AromaticContact CE1-NE2 2.94Å; H67-H71 PolarHBondContact CE1-NE2 3.34Å; H67-H71 AromaticContact CG-CD2 3.64Å; H67-H71 AromaticContact CG-NE2 3.96Å; H67-H71 AromaticContact ND1-CD2 3.53Å; H67-H71 AromaticContact ND1-NE2 3.34Å; H67-H71 PolarHBondContact ND1-NE2 2.94Å; H67-H71 AromaticContact NE2-CD2 3.36Å; H67-H71 PolarHBondContact NE2-CD2 2.93Å; H67-H71 AromaticContact NE2-NE2 3.36Å; H67-H71 PolarHBondContact NE2-NE2 3.48Å; H67-H71 WeakPolarHBondContact O-CB 3.14Å; H67-H71 PolarHBondContact O-CD2 3.4Å; H67-H71 PolarHBondContact O-N 3.49Å |
| 68 | F | 63.4 | Low | 63.4 | Low | 65 Ų | 65 | 79.3 Ų | 79.3 | 29% | 0.285 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 175.1 | -175.5 | -97.1 | 0 | 0 | 0 | 111.6 | Y42 I45 L64 S65 H71 C72 | Y42-F68 HydrophobicContact CD1-CE2 4.39Å; Y42-F68 HydrophobicContact CE1-CE2 4.43Å; I45-F68 HydrophobicContact CG2-CB 4.39Å; I45-F68 HydrophobicContact CG2-CD2 3.8Å; L64-F68 WeakPolarHBondContact O-CB 3.46Å; L64-F68 PolarHBondContact O-N 3.18Å; S65-F68 PolarHBondContact O-N 2.92Å; F68-H71 PolarHBondContact O-N 3.36Å; F68-C72 HydrophobicContact CD1-CB 4.42Å; F68-C72 HydrophobicContact CE1-CB 4.26Å; F68-C72 WeakPolarHBondContact O-CA 3.36Å; F68-C72 WeakPolarHBondContact O-CB 3.37Å; F68-C72 PolarHBondContact O-N 3.33Å |
| 69 | H | 63.4 | Low | 63.5 | Low | 132 Ų | 132 | 77.5 Ų | 77.5 | 61% | 0.611 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.7 | -43.7 | -179 | -164.5 | 73.8 | 0 | 0 | 0 | 112.5 | S65 M66 H67 H71 C72 A73 | S65-H69 WeakPolarHBondContact O-CB 3.16Å; S65-H69 PolarHBondContact O-N 2.85Å; M66-H69 PolarHBondContact O-N 3.09Å; H67-H69 VanDerWaalsContact C-N 3.35Å; H67-H69 PolarHBondContact O-N 3.38Å; H69-H71 PolarHBondContact O-N 3.09Å; H69-C72 PolarHBondContact O-N 3.2Å; H69-A73 WeakPolarHBondContact O-CB 3.41Å; H69-A73 PolarHBondContact O-N 3.42Å |
| 70 | T | 65.1 | Low | 63.6 | Low | 84 Ų | 84 | 79.4 Ų | 79.4 | 52% | 0.515 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | -179.2 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | M66 H67 S74 | M66-T70 WeakPolarHBondContact O-CB 3.48Å; M66-T70 PolarHBondContact O-N 2.99Å; M66-T70 PolarHBondContact O-OG1 3.07Å; H67-T70 PolarHBondContact O-N 3.35Å; T70-S74 PolarHBondContact O-N 3.5Å; T70-S74 PolarHBondContact O-OG 3.46Å |
| 71 | H | 61.9 | Low | 63.5 | Low | 80 Ų | 80 | 83.9 Ų | 83.9 | 37% | 0.37 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -74.9 | -39.3 | 177.7 | -69.8 | -63.4 | 0 | 0 | 0 | 112 | Y42 H67 F68 H69 S74 F75 | Y42-H71 PolarHBondContact OH-O 2.94Å; H67-H71 AromaticContact CD2-CD2 3.54Å; H67-H71 AromaticContact CD2-NE2 3.97Å; H67-H71 AromaticContact CE1-CD2 3.36Å; H67-H71 PolarHBondContact CE1-CD2 3.2Å; H67-H71 AromaticContact CE1-NE2 2.94Å; H67-H71 PolarHBondContact CE1-NE2 3.34Å; H67-H71 AromaticContact CG-CD2 3.64Å; H67-H71 AromaticContact CG-NE2 3.96Å; H67-H71 AromaticContact ND1-CD2 3.53Å; H67-H71 AromaticContact ND1-NE2 3.34Å; H67-H71 PolarHBondContact ND1-NE2 2.94Å; H67-H71 AromaticContact NE2-CD2 3.36Å; H67-H71 PolarHBondContact NE2-CD2 2.93Å; H67-H71 AromaticContact NE2-NE2 3.36Å; H67-H71 PolarHBondContact NE2-NE2 3.48Å; H67-H71 WeakPolarHBondContact O-CB 3.14Å; H67-H71 PolarHBondContact O-CD2 3.4Å; H67-H71 PolarHBondContact O-N 3.49Å; F68-H71 PolarHBondContact O-N 3.36Å; H69-H71 PolarHBondContact O-N 3.09Å; H71-S74 WeakPolarHBondContact O-CB 3.36Å; H71-S74 PolarHBondContact O-N 3.48Å; H71-F75 PolarHBondContact O-N 2.89Å |
| 72 | C | 62 | Low | 63.3 | Low | 32 Ų | 32 | 81.7 Ų | 81.7 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 177.8 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | Y42 F68 H69 S74 F75 L76 | Y42-C72 WeakPolarHBondContact OH-CA 3.5Å; Y42-C72 PolarHBondContact OH-N 3.19Å; F68-C72 HydrophobicContact CD1-CB 4.42Å; F68-C72 HydrophobicContact CE1-CB 4.26Å; F68-C72 WeakPolarHBondContact O-CA 3.36Å; F68-C72 WeakPolarHBondContact O-CB 3.37Å; F68-C72 PolarHBondContact O-N 3.33Å; H69-C72 PolarHBondContact O-N 3.2Å; C72-S74 VanDerWaalsContact C-N 3.28Å; C72-S74 PolarHBondContact O-N 3.33Å; C72-F75 PolarHBondContact O-N 3.24Å; C72-F75 VanDerWaalsContact O-N 3.14Å; C72-L76 PolarHBondContact O-N 2.93Å |
| 73 | A | 64.5 | Low | 62.9 | Low | 51 Ų | 51 | 79.4 Ų | 79.4 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H69 F75 L76 F77 | H69-A73 WeakPolarHBondContact O-CB 3.41Å; H69-A73 PolarHBondContact O-N 3.42Å; A73-F75 VanDerWaalsContact C-N 3.34Å; A73-F75 PolarHBondContact O-N 3.02Å; A73-L76 PolarHBondContact O-N 3.27Å; A73-F77 VanDerWaalsContact O-CB 3.24Å; A73-F77 WeakPolarHBondContact O-CB 3.02Å; A73-F77 PolarHBondContact O-N 3.05Å |
| 74 | S | 64.4 | Low | 62.5 | Low | 54 Ų | 54 | 82 Ų | 82 | 38% | 0.378 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | T70 H71 C72 F77 F78 | T70-S74 PolarHBondContact O-N 3.5Å; T70-S74 PolarHBondContact O-OG 3.46Å; H71-S74 WeakPolarHBondContact O-CB 3.36Å; H71-S74 PolarHBondContact O-N 3.48Å; C72-S74 VanDerWaalsContact C-N 3.28Å; C72-S74 PolarHBondContact O-N 3.33Å; S74-F77 WeakPolarHBondContact O-CB 3.45Å; S74-F77 PolarHBondContact O-N 3.37Å; S74-F78 WeakPolarHBondContact O-CB 3.36Å; S74-F78 WeakPolarHBondContact O-CD2 3.31Å; S74-F78 PolarHBondContact O-N 2.92Å |
| 75 | F | 61 | Low | 62.1 | Low | 23 Ų | 23 | 85.4 Ų | 85.4 | 10% | 0.101 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 177.3 | 173.1 | -96.4 | 0 | 0 | 0 | 113.1 | F39 Y42 H71 C72 A73 F77 F78 L79 | F39-F75 HydrophobicContact CE1-CZ 4.29Å; F39-F75 HydrophobicContact CE2-CE2 4.07Å; F39-F75 HydrophobicContact CE2-CZ 4.02Å; F39-F75 HydrophobicContact CZ-CE2 4.1Å; F39-F75 AromaticContact CZ-CZ 3.64Å; F39-F75 HydrophobicContact CZ-CZ 3.64Å; Y42-F75 HydrophobicContact CD2-CD2 4.37Å; Y42-F75 HydrophobicContact CE2-CB 3.73Å; Y42-F75 HydrophobicContact CE2-CD1 4.4Å; Y42-F75 AromaticContact CE2-CD2 3.61Å; Y42-F75 HydrophobicContact CE2-CD2 3.61Å; Y42-F75 HydrophobicContact CE2-CE2 4.31Å; Y42-F75 AromaticContact CE2-CG 3.66Å; Y42-F75 HydrophobicContact CE2-CG 3.66Å; Y42-F75 AromaticContact CZ-CG 3.93Å; Y42-F75 WeakPolarHBondContact OH-CB 3.47Å; H71-F75 PolarHBondContact O-N 2.89Å; C72-F75 PolarHBondContact O-N 3.24Å; C72-F75 VanDerWaalsContact O-N 3.14Å; A73-F75 VanDerWaalsContact C-N 3.34Å; A73-F75 PolarHBondContact O-N 3.02Å; F75-F77 PolarHBondContact O-N 3.4Å; F75-F78 PolarHBondContact O-N 3.49Å; F75-L79 HydrophobicContact CE1-CD2 4.25Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 VanDerWaalsContact O-CB 3.3Å; F75-L79 WeakPolarHBondContact O-CB 3.49Å; F75-L79 PolarHBondContact O-N 2.86Å |
| 76 | L | 65.5 | Low | 61.5 | Low | 101 Ų | 101 | 87.6 Ų | 87.6 | 53% | 0.529 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 174.9 | -70.4 | 175.5 | 0 | 0 | 0 | 110.7 | C72 A73 H80 | C72-L76 PolarHBondContact O-N 2.93Å; A73-L76 PolarHBondContact O-N 3.27Å; L76-H80 WeakPolarHBondContact O-CB 3.28Å; L76-H80 PolarHBondContact O-N 2.84Å |
| 77 | F | 63.7 | Low | 60.9 | Low | 123 Ų | 123 | 85 Ų | 85 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 174.7 | -176.8 | -97.7 | 0 | 0 | 0 | 112.4 | A73 S74 F75 R81 | A73-F77 VanDerWaalsContact O-CB 3.24Å; A73-F77 WeakPolarHBondContact O-CB 3.02Å; A73-F77 PolarHBondContact O-N 3.05Å; S74-F77 WeakPolarHBondContact O-CB 3.45Å; S74-F77 PolarHBondContact O-N 3.37Å; F75-F77 PolarHBondContact O-N 3.4Å; F77-R81 VanDerWaalsContact O-CB 3.31Å; F77-R81 WeakPolarHBondContact O-CB 3.31Å; F77-R81 PolarHBondContact O-N 3.09Å |
| 78 | F | 62 | Low | 60.4 | Low | 96 Ų | 96 | 85.7 Ų | 85.7 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 176.9 | -88.7 | -71.1 | 0 | 0 | 0 | 111.9 | S74 F75 H80 R81 S82 | S74-F78 WeakPolarHBondContact O-CB 3.36Å; S74-F78 WeakPolarHBondContact O-CD2 3.31Å; S74-F78 PolarHBondContact O-N 2.92Å; F75-F78 PolarHBondContact O-N 3.49Å; F78-H80 PolarHBondContact O-N 3.46Å; F78-R81 PolarHBondContact O-N 2.96Å; F78-S82 WeakPolarHBondContact O-CB 3.41Å; F78-S82 PolarHBondContact O-N 3.45Å; F78-S82 PolarHBondContact O-OG 3.21Å |
| 79 | L | 62.3 | Low | 59.9 | Low | 67 Ų | 67 | 85 Ų | 85 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.7 | -171.9 | 69.1 | 0 | 0 | 0 | 111.2 | F75 R81 S82 A83 | F75-L79 HydrophobicContact CE1-CD2 4.25Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 VanDerWaalsContact O-CB 3.3Å; F75-L79 WeakPolarHBondContact O-CB 3.49Å; F75-L79 PolarHBondContact O-N 2.86Å; L79-R81 PolarHBondContact O-N 2.77Å; L79-S82 PolarHBondContact O-N 3.23Å; L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.37Å; L79-A83 PolarHBondContact O-N 2.91Å |
| 80 | H | 62.6 | Low | 59.3 | Low | 130 Ų | 130 | 82.8 Ų | 82.8 | 60% | 0.602 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 175.4 | 178.8 | -103.1 | 0 | 0 | 0 | 111.7 | L76 F78 K84 | L76-H80 WeakPolarHBondContact O-CB 3.28Å; L76-H80 PolarHBondContact O-N 2.84Å; F78-H80 PolarHBondContact O-N 3.46Å; H80-K84 WeakPolarHBondContact O-CB 3.43Å; H80-K84 PolarHBondContact O-N 3.23Å |
| 81 | R | 60.5 | Low | 58.7 | Low | 147 Ų | 147 | 85 Ų | 85 | 56% | 0.555 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.2 | -43.2 | 176.9 | -169.4 | 177 | -177.9 | 175.2 | 1 | 111.8 | F77 F78 L79 K84 I85 | F77-R81 VanDerWaalsContact O-CB 3.31Å; F77-R81 WeakPolarHBondContact O-CB 3.31Å; F77-R81 PolarHBondContact O-N 3.09Å; F78-R81 PolarHBondContact O-N 2.96Å; L79-R81 PolarHBondContact O-N 2.77Å; R81-K84 PolarHBondContact O-N 2.98Å; R81-I85 HydrophobicContact CG-CD1 4.09Å; R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.19Å; R81-I85 PolarHBondContact O-N 3.34Å |
| 82 | S | 58.1 | Low | 58.2 | Low | 37 Ų | 37 | 86.8 Ų | 86.8 | 26% | 0.259 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.9 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | F78 L79 K84 I85 H86 | F78-S82 WeakPolarHBondContact O-CB 3.41Å; F78-S82 PolarHBondContact O-N 3.45Å; F78-S82 PolarHBondContact O-OG 3.21Å; L79-S82 PolarHBondContact O-N 3.23Å; S82-K84 VanDerWaalsContact C-N 3.28Å; S82-K84 PolarHBondContact O-N 3.31Å; S82-I85 PolarHBondContact O-N 3.14Å; S82-I85 VanDerWaalsContact O-N 3.17Å; S82-H86 PolarHBondContact O-CD2 3.22Å; S82-H86 VanDerWaalsContact O-CD2 3.31Å; S82-H86 PolarHBondContact O-N 3.24Å |
| 83 | A | 57 | Low | 57.6 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 50% | 0.496 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L79 S87 | L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.37Å; L79-A83 PolarHBondContact O-N 2.91Å; A83-S87 WeakPolarHBondContact O-CB 3.19Å; A83-S87 PolarHBondContact O-N 2.84Å |
| 84 | K | 56.8 | Low | 56.9 | Low | 136 Ų | 136 | 94.3 Ų | 94.3 | 59% | 0.591 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.4 | -37.7 | 175.2 | -168 | 171.6 | -178.1 | 174.9 | 0 | 112.5 | H80 R81 S82 S87 M88 | H80-K84 WeakPolarHBondContact O-CB 3.43Å; H80-K84 PolarHBondContact O-N 3.23Å; R81-K84 PolarHBondContact O-N 2.98Å; S82-K84 VanDerWaalsContact C-N 3.28Å; S82-K84 PolarHBondContact O-N 3.31Å; K84-S87 PolarHBondContact O-N 3.4Å; K84-M88 WeakPolarHBondContact O-CG 3.32Å; K84-M88 PolarHBondContact O-N 3.47Å |
| 85 | I | 56.9 | Low | 56.3 | Low | 98 Ų | 98 | 97.1 Ų | 97.1 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 175.7 | -67.6 | 163.4 | 0 | 0 | 0 | 110.5 | R81 S82 M88 S89 | R81-I85 HydrophobicContact CG-CD1 4.09Å; R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.19Å; R81-I85 PolarHBondContact O-N 3.34Å; S82-I85 PolarHBondContact O-N 3.14Å; S82-I85 VanDerWaalsContact O-N 3.17Å; I85-M88 PolarHBondContact O-N 2.8Å; I85-S89 VanDerWaalsContact O-CB 3.3Å; I85-S89 WeakPolarHBondContact O-CB 3.42Å; I85-S89 PolarHBondContact O-N 3Å |
| 86 | H | 50.2 | Low | 55.8 | Low | 113 Ų | 113 | 102.7 Ų | 102.7 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -45 | 174.5 | -85.2 | -84.3 | 0 | 0 | 0 | 111.3 | S82 M88 S89 D90 | S82-H86 PolarHBondContact O-CD2 3.22Å; S82-H86 VanDerWaalsContact O-CD2 3.31Å; S82-H86 PolarHBondContact O-N 3.24Å; H86-M88 VanDerWaalsContact C-N 3.31Å; H86-M88 PolarHBondContact O-N 2.88Å; H86-S89 PolarHBondContact O-N 2.85Å; H86-S89 VanDerWaalsContact O-N 3.13Å; H86-D90 WeakPolarHBondContact O-CB 3.41Å; H86-D90 PolarHBondContact O-N 3.29Å |
| 87 | S | 53.1 | Low | 55.1 | Low | 64 Ų | 64 | 105.9 Ų | 105.9 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 113.5 | A83 K84 H91 | A83-S87 WeakPolarHBondContact O-CB 3.19Å; A83-S87 PolarHBondContact O-N 2.84Å; K84-S87 PolarHBondContact O-N 3.4Å; S87-H91 PolarHBondContact O-N 2.88Å; S87-H91 PolarHBondContact O-ND1 2.92Å |
| 88 | M | 54.4 | Low | 54.4 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 53% | 0.527 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.8 | -39.4 | 173.4 | -68.2 | -153.3 | 82.4 | 0 | 0 | 112.3 | K84 I85 H86 D90 H91 H92 | K84-M88 WeakPolarHBondContact O-CG 3.32Å; K84-M88 PolarHBondContact O-N 3.47Å; I85-M88 PolarHBondContact O-N 2.8Å; H86-M88 VanDerWaalsContact C-N 3.31Å; H86-M88 PolarHBondContact O-N 2.88Å; M88-D90 VanDerWaalsContact C-N 3.32Å; M88-D90 PolarHBondContact O-N 3.31Å; M88-H91 WeakPolarHBondContact O-CB 3.43Å; M88-H91 PolarHBondContact O-N 3.17Å; M88-H92 PolarHBondContact O-CD2 2.8Å; M88-H92 PolarHBondContact O-N 3.13Å |
| 89 | S | 52 | Low | 53.9 | Low | 50 Ų | 50 | 116 Ų | 116 | 35% | 0.35 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.4 | -39.4 | 176.4 | -168.5 | 0 | 0 | 0 | 0 | 111.8 | I85 H86 H92 H93 | I85-S89 VanDerWaalsContact O-CB 3.3Å; I85-S89 WeakPolarHBondContact O-CB 3.42Å; I85-S89 PolarHBondContact O-N 3Å; H86-S89 PolarHBondContact O-N 2.85Å; H86-S89 VanDerWaalsContact O-N 3.13Å; S89-H92 PolarHBondContact O-N 3.5Å; S89-H93 WeakPolarHBondContact O-CB 3.3Å; S89-H93 PolarHBondContact O-CD2 3.45Å; S89-H93 PolarHBondContact O-N 3.29Å |
| 90 | D | 50.4 | Low | 53.5 | Low | 86 Ų | 86 | 118.4 Ų | 118.4 | 46% | 0.46 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.8 | -39 | 175.4 | -64.3 | -24.9 | 0 | 0 | 0 | 110.7 | H86 M88 H93 I94 | H86-D90 WeakPolarHBondContact O-CB 3.41Å; H86-D90 PolarHBondContact O-N 3.29Å; M88-D90 VanDerWaalsContact C-N 3.32Å; M88-D90 PolarHBondContact O-N 3.31Å; D90-H93 PolarHBondContact O-N 3.04Å; D90-I94 WeakPolarHBondContact O-CB 3.46Å; D90-I94 WeakPolarHBondContact O-CD1 3.45Å; D90-I94 WeakPolarHBondContact O-CG1 3.45Å; D90-I94 PolarHBondContact O-N 3.48Å |
| 91 | H | 52.6 | Low | 53 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 61% | 0.606 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.3 | -39.6 | 171.6 | -84.3 | 68.5 | 0 | 0 | 0 | 112.3 | S87 M88 I94 L95 | S87-H91 PolarHBondContact O-N 2.88Å; S87-H91 PolarHBondContact O-ND1 2.92Å; M88-H91 WeakPolarHBondContact O-CB 3.43Å; M88-H91 PolarHBondContact O-N 3.17Å; H91-I94 PolarHBondContact O-N 3.35Å; H91-L95 WeakPolarHBondContact O-CB 3.39Å; H91-L95 PolarHBondContact O-N 3.23Å |
| 92 | H | 52.6 | Low | 52.6 | Low | 117 Ų | 117 | 116.2 Ų | 116.2 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.3 | -37 | 176.7 | -75.8 | -65.3 | 0 | 0 | 0 | 112 | M88 S89 L95 L96 | M88-H92 PolarHBondContact O-CD2 2.8Å; M88-H92 PolarHBondContact O-N 3.13Å; S89-H92 PolarHBondContact O-N 3.5Å; H92-L95 PolarHBondContact O-N 3.46Å; H92-L96 WeakPolarHBondContact O-CB 3.49Å; H92-L96 PolarHBondContact O-N 3.03Å |
| 93 | H | 48.9 | Very low | 52.2 | Low | 129 Ų | 129 | 120.8 Ų | 120.8 | 60% | 0.597 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68 | -38.6 | 174.1 | -96.8 | -78.3 | 0 | 0 | 0 | 112.7 | S89 D90 M97 | S89-H93 WeakPolarHBondContact O-CB 3.3Å; S89-H93 PolarHBondContact O-CD2 3.45Å; S89-H93 PolarHBondContact O-N 3.29Å; D90-H93 PolarHBondContact O-N 3.04Å; H93-M97 PolarHBondContact O-N 2.98Å |
| 94 | I | 50.3 | Low | 51.9 | Low | 112 Ų | 112 | 124.6 Ų | 124.6 | 57% | 0.574 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.3 | -40.9 | 175.7 | -69 | 164.8 | 0 | 0 | 0 | 110.7 | D90 H91 M97 W98 | D90-I94 WeakPolarHBondContact O-CB 3.46Å; D90-I94 WeakPolarHBondContact O-CD1 3.45Å; D90-I94 WeakPolarHBondContact O-CG1 3.45Å; D90-I94 PolarHBondContact O-N 3.48Å; H91-I94 PolarHBondContact O-N 3.35Å; I94-M97 PolarHBondContact O-N 3.49Å; I94-W98 PolarHBondContact O-N 2.81Å |
| 95 | L | 50.8 | Low | 51.6 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 59% | 0.592 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.4 | -36.7 | 178.2 | -157.4 | 81.3 | 0 | 0 | 0 | 112.3 | H91 H92 M97 W98 | H91-L95 WeakPolarHBondContact O-CB 3.39Å; H91-L95 PolarHBondContact O-N 3.23Å; H92-L95 PolarHBondContact O-N 3.46Å; L95-M97 VanDerWaalsContact C-N 3.29Å; L95-M97 PolarHBondContact O-N 3.49Å; L95-W98 PolarHBondContact O-N 3.25Å |
| 96 | L | 50.9 | Low | 51.2 | Low | 140 Ų | 140 | 125.7 Ų | 125.7 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.5 | -22.7 | 177.9 | -140.5 | 92.4 | 0 | 0 | 0 | 113.2 | H92 W98 | H92-L96 WeakPolarHBondContact O-CB 3.49Å; H92-L96 PolarHBondContact O-N 3.03Å; L96-W98 VanDerWaalsContact C-N 3.35Å |
| 97 | M | 51.8 | Low | 51.3 | Low | 167 Ų | 167 | 126.7 Ų | 126.7 | 82% | 0.823 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -7.5 | 174.5 | -92.2 | -116.4 | 145 | 0 | 0 | 113.5 | H93 I94 L95 | H93-M97 PolarHBondContact O-N 2.98Å; I94-M97 PolarHBondContact O-N 3.49Å; L95-M97 VanDerWaalsContact C-N 3.29Å; L95-M97 PolarHBondContact O-N 3.49Å |
| 98 | W | 48 | Very low | 51.2 | Low | 234 Ų | 234 | 131.9 Ų | 131.9 | 89% | 0.886 | 64% | 0.642 | S | S | * | * | trans | -110.7 | 3.6 | -176.7 | -105.3 | 33.8 | 0 | 0 | 0 | 114.5 | I94 L95 L96 | I94-W98 PolarHBondContact O-N 2.81Å; L95-W98 PolarHBondContact O-N 3.25Å; L96-W98 VanDerWaalsContact C-N 3.35Å | ||
| 99 | I | 51.6 | Low | 50.9 | Low | 197 Ų | 197 | 134.2 Ų | 134.2 | 100% | 1.01 | 65% | 0.652 | S | S | * | * | trans | -109.1 | 0 | 170.9 | -61.1 | 172.1 | 0 | 0 | 0 | 108.1 |
Retrieved 99 of 99 residues in 88.4 ms
(Link to these results)