| 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 | 47.3 | Very low | 61.7 | Low | 235 Ų | 235 | 130.6 Ų | 130.6 | 100% | 1.158 | 60% | 0.6 | S | S | * | * | 0 | 110.6 | 0 | -150.4 | 162 | -175.6 | 0 | 0 | 107.1 | N3 | M1-N3 PolarHBondContact O-N 3.33Š| |||
| 2 | M | 55.3 | Low | 61.9 | Low | 90 Ų | 90 | 121.1 Ų | 121.1 | 44% | 0.443 | 56% | 0.564 | S | S | . | * | trans | -71 | 131.1 | -176.2 | -89.4 | 169.3 | 61.2 | 0 | 0 | 110.7 | Q6 | M2-Q6 HydrophobicContact CE-CB 4.07Å; M2-Q6 HydrophobicContact CE-CG 3.9Å | ||
| 3 | N | 71.9 | Confident | 62 | Low | 119 Ų | 119 | 116.2 Ų | 116.2 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | trans | -58.4 | 142.4 | 178.6 | -74.9 | -49.5 | 0 | 0 | 0 | 110.8 | M1 R5 Q6 R7 | M1-N3 PolarHBondContact O-N 3.33Å; N3-R5 PolarHBondContact O-N 3.09Å; N3-R5 VanDerWaalsContact O-N 3.07Å; N3-Q6 WeakPolarHBondContact O-CA 3.5Å; N3-Q6 VanDerWaalsContact O-CB 3.29Å; N3-Q6 WeakPolarHBondContact O-CB 3.29Å; N3-Q6 PolarHBondContact O-N 3.38Å; N3-R7 PolarHBondContact O-N 3.42Å | ||
| 4 | F | 62.8 | Low | 62.2 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 66% | 0.662 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -51.3 | -33.5 | 178.3 | -176.1 | -111.5 | 0 | 0 | 0 | 112.9 | Q6 R7 M8 | F4-Q6 VanDerWaalsContact C-N 3.33Å; F4-Q6 PolarHBondContact O-N 3.09Å; F4-R7 PolarHBondContact O-N 3.05Å; F4-M8 HydrophobicContact CD1-CE 3.72Å; F4-M8 HydrophobicContact CE1-CE 3.11Å; F4-M8 HydrophobicContact CZ-CE 3.73Å; F4-M8 PolarHBondContact O-N 3.44Å; F4-M8 VanDerWaalsContact O-N 3.09Å |
| 5 | R | 61.3 | Low | 62.4 | Low | 159 Ų | 159 | 111.2 Ų | 111.2 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.4 | -39.9 | 172.9 | -69.5 | 177.2 | 124.4 | -127.5 | -3.5 | 113.3 | N3 G9 C89 | N3-R5 PolarHBondContact O-N 3.09Å; N3-R5 VanDerWaalsContact O-N 3.07Å; R5-G9 PolarHBondContact O-N 3.5Å; R5-C89 PolarHBondContact NH1-O 3.22Å |
| 6 | Q | 59.4 | Low | 62.5 | Low | 102 Ų | 102 | 108.8 Ų | 108.8 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.8 | -36.7 | 179.1 | -145.3 | 175.7 | -7.5 | 0 | 0 | 110.3 | M2 N3 F4 G9 W10 | M2-Q6 HydrophobicContact CE-CB 4.07Å; M2-Q6 HydrophobicContact CE-CG 3.9Å; N3-Q6 WeakPolarHBondContact O-CA 3.5Å; N3-Q6 VanDerWaalsContact O-CB 3.29Å; N3-Q6 WeakPolarHBondContact O-CB 3.29Å; N3-Q6 PolarHBondContact O-N 3.38Å; F4-Q6 VanDerWaalsContact C-N 3.33Å; F4-Q6 PolarHBondContact O-N 3.09Å; Q6-G9 PolarHBondContact O-N 3.34Å; Q6-W10 PolarHBondContact O-N 2.94Å; Q6-W10 VanDerWaalsContact O-N 3.1Å |
| 7 | R | 68.4 | Low | 62.5 | Low | 153 Ų | 153 | 109.3 Ų | 109.3 | 58% | 0.577 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 175.7 | -67.1 | -177.3 | 173.3 | -169.4 | -4.2 | 112.8 | N3 F4 G9 W10 I11 | N3-R7 PolarHBondContact O-N 3.42Å; F4-R7 PolarHBondContact O-N 3.05Å; R7-G9 VanDerWaalsContact C-N 3.33Å; R7-W10 PolarHBondContact O-N 2.97Å; R7-I11 WeakPolarHBondContact O-CG1 3.43Å; R7-I11 PolarHBondContact O-N 2.89Å |
| 8 | M | 59.4 | Low | 62.8 | Low | 112 Ų | 112 | 110.7 Ų | 110.7 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -35.6 | 172.4 | -84.9 | -159.9 | -123.5 | 0 | 0 | 112.9 | F4 I11 G12 | F4-M8 HydrophobicContact CD1-CE 3.72Å; F4-M8 HydrophobicContact CE1-CE 3.11Å; F4-M8 HydrophobicContact CZ-CE 3.73Å; F4-M8 PolarHBondContact O-N 3.44Å; F4-M8 VanDerWaalsContact O-N 3.09Å; M8-I11 PolarHBondContact O-N 2.68Å; M8-G12 PolarHBondContact O-N 3.49Å |
| 9 | G | 63.7 | Low | 63 | Low | 21 Ų | 21 | 108.1 Ų | 108.1 | 22% | 0.216 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R5 Q6 R7 I11 G12 V13 | R5-G9 PolarHBondContact O-N 3.5Å; Q6-G9 PolarHBondContact O-N 3.34Å; R7-G9 VanDerWaalsContact C-N 3.33Å; G9-I11 VanDerWaalsContact C-N 3.35Å; G9-I11 PolarHBondContact O-N 3.07Å; G9-G12 PolarHBondContact O-N 2.85Å; G9-V13 WeakPolarHBondContact O-CG2 3.3Å; G9-V13 PolarHBondContact O-N 3.01Å |
| 10 | W | 62.2 | Low | 63 | Low | 174 Ų | 174 | 104.2 Ų | 104.2 | 66% | 0.659 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.7 | -35.3 | 176.6 | -79.8 | 100.9 | 0 | 0 | 0 | 113.3 | Q6 R7 V13 G14 | Q6-W10 PolarHBondContact O-N 2.94Å; Q6-W10 VanDerWaalsContact O-N 3.1Å; R7-W10 PolarHBondContact O-N 2.97Å; W10-V13 PolarHBondContact O-N 3.47Å; W10-G14 PolarHBondContact O-N 3.15Å |
| 11 | I | 66.4 | Low | 63.1 | Low | 121 Ų | 121 | 102 Ų | 102 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 173.3 | -69.5 | 164.6 | 0 | 0 | 0 | 110.5 | R7 M8 G9 V13 G14 L15 | R7-I11 WeakPolarHBondContact O-CG1 3.43Å; R7-I11 PolarHBondContact O-N 2.89Å; M8-I11 PolarHBondContact O-N 2.68Å; G9-I11 VanDerWaalsContact C-N 3.35Å; G9-I11 PolarHBondContact O-N 3.07Å; I11-V13 VanDerWaalsContact C-N 3.34Å; I11-V13 PolarHBondContact O-N 3.36Å; I11-G14 PolarHBondContact O-N 3.14Å; I11-L15 WeakPolarHBondContact O-CB 3.46Å; I11-L15 PolarHBondContact O-N 3.3Å |
| 12 | G | 64.8 | Low | 64 | Low | 16 Ų | 16 | 93.4 Ų | 93.4 | 17% | 0.165 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M8 G9 Y16 | M8-G12 PolarHBondContact O-N 3.49Å; G9-G12 PolarHBondContact O-N 2.85Å; G12-Y16 WeakPolarHBondContact O-CB 3.21Å; G12-Y16 PolarHBondContact O-N 3.44Å |
| 13 | V | 63 | Low | 64.4 | Low | 58 Ų | 58 | 89.9 Ų | 89.9 | 35% | 0.352 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | G9 W10 I11 Y16 L17 L86 | G9-V13 WeakPolarHBondContact O-CG2 3.3Å; G9-V13 PolarHBondContact O-N 3.01Å; W10-V13 PolarHBondContact O-N 3.47Å; I11-V13 VanDerWaalsContact C-N 3.34Å; I11-V13 PolarHBondContact O-N 3.36Å; V13-Y16 WeakPolarHBondContact O-CB 3.18Å; V13-Y16 PolarHBondContact O-N 3.35Å; V13-L17 PolarHBondContact O-N 3.22Å; V13-L86 HydrophobicContact CG2-CD1 4.21Å |
| 14 | G | 64.5 | Low | 64 | Low | 40 Ų | 40 | 91 Ų | 91 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | W10 I11 Y16 L17 L18 | W10-G14 PolarHBondContact O-N 3.15Å; I11-G14 PolarHBondContact O-N 3.14Å; G14-Y16 VanDerWaalsContact C-N 3.29Å; G14-Y16 PolarHBondContact O-N 3.41Å; G14-L17 PolarHBondContact O-N 3.01Å; G14-L18 PolarHBondContact O-N 3.41Å |
| 15 | L | 65.9 | Low | 64.3 | Low | 117 Ų | 117 | 90.8 Ų | 90.8 | 61% | 0.613 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.4 | -38.3 | 176 | -154.9 | 100.8 | 0 | 0 | 0 | 111.5 | I11 L18 A19 | I11-L15 WeakPolarHBondContact O-CB 3.46Å; I11-L15 PolarHBondContact O-N 3.3Å; L15-L18 PolarHBondContact O-N 3.38Å; L15-A19 WeakPolarHBondContact O-CB 3.25Å; L15-A19 PolarHBondContact O-N 3.31Å |
| 16 | Y | 63.3 | Low | 64.5 | Low | 73 Ų | 73 | 90.5 Ų | 90.5 | 29% | 0.286 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 174.6 | 169.2 | -106 | 0 | 0 | 0 | 111.8 | G12 V13 G14 L18 A19 S20 Y79 | G12-Y16 WeakPolarHBondContact O-CB 3.21Å; G12-Y16 PolarHBondContact O-N 3.44Å; V13-Y16 WeakPolarHBondContact O-CB 3.18Å; V13-Y16 PolarHBondContact O-N 3.35Å; G14-Y16 VanDerWaalsContact C-N 3.29Å; G14-Y16 PolarHBondContact O-N 3.41Å; Y16-L18 VanDerWaalsContact C-N 3.27Å; Y16-L18 PolarHBondContact O-N 3.09Å; Y16-A19 PolarHBondContact O-N 3.13Å; Y16-S20 WeakPolarHBondContact CE2-OG 3.49Å; Y16-S20 VanDerWaalsContact CZ-OG 3.23Å; Y16-S20 WeakPolarHBondContact O-CB 3.36Å; Y16-S20 PolarHBondContact O-N 2.87Å; Y16-S20 PolarHBondContact O-OG 3.5Å; Y16-S20 VanDerWaalsContact O-OG 3.13Å; Y16-S20 PolarHBondContact OH-OG 3.26Å; Y16-Y79 HydrophobicContact CD2-CD2 4.21Å; Y16-Y79 HydrophobicContact CE1-CD2 4.28Å; Y16-Y79 AromaticContact CE1-CE2 3.84Å; Y16-Y79 HydrophobicContact CE1-CE2 3.84Å; Y16-Y79 AromaticContact CE2-CD2 3.24Å; Y16-Y79 HydrophobicContact CE2-CD2 3.24Å; Y16-Y79 AromaticContact CE2-CE2 3.68Å; Y16-Y79 HydrophobicContact CE2-CE2 3.68Å; Y16-Y79 HydrophobicContact CE2-CG 4.39Å; Y16-Y79 AromaticContact CZ-CD2 3.28Å; Y16-Y79 AromaticContact CZ-CE2 3.2Å; Y16-Y79 WeakPolarHBondContact OH-CD2 2.93Å; Y16-Y79 WeakPolarHBondContact OH-CE2 3.07Å |
| 17 | L | 63 | Low | 64.7 | Low | 117 Ų | 117 | 87.9 Ų | 87.9 | 61% | 0.613 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.4 | -41.6 | 179.5 | -133.8 | 90.7 | 0 | 0 | 0 | 111.4 | V13 G14 S20 A21 | V13-L17 PolarHBondContact O-N 3.22Å; G14-L17 PolarHBondContact O-N 3.01Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 3.41Å |
| 18 | L | 68.6 | Low | 64.4 | Low | 134 Ų | 134 | 87.1 Ų | 87.1 | 70% | 0.702 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67 | -43.8 | -179.6 | -148.9 | 103.4 | 0 | 0 | 0 | 111.6 | G14 L15 Y16 A21 A22 | G14-L18 PolarHBondContact O-N 3.41Å; L15-L18 PolarHBondContact O-N 3.38Å; Y16-L18 VanDerWaalsContact C-N 3.27Å; Y16-L18 PolarHBondContact O-N 3.09Å; L18-A21 PolarHBondContact O-N 3.14Å; L18-A22 WeakPolarHBondContact O-CB 3.29Å; L18-A22 PolarHBondContact O-N 3.35Å |
| 19 | A | 65.9 | Low | 64.6 | Low | 61 Ų | 61 | 85.4 Ų | 85.4 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L15 Y16 A22 A23 | L15-A19 WeakPolarHBondContact O-CB 3.25Å; L15-A19 PolarHBondContact O-N 3.31Å; Y16-A19 PolarHBondContact O-N 3.13Å; A19-A22 PolarHBondContact O-N 3.15Å; A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 3.49Å |
| 20 | S | 62.2 | Low | 64.4 | Low | 30 Ų | 30 | 87 Ų | 87 | 21% | 0.21 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 174.4 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | Y16 L17 A23 F24 | Y16-S20 WeakPolarHBondContact CE2-OG 3.49Å; Y16-S20 VanDerWaalsContact CZ-OG 3.23Å; Y16-S20 WeakPolarHBondContact O-CB 3.36Å; Y16-S20 PolarHBondContact O-N 2.87Å; Y16-S20 PolarHBondContact O-OG 3.5Å; Y16-S20 VanDerWaalsContact O-OG 3.13Å; Y16-S20 PolarHBondContact OH-OG 3.26Å; L17-S20 PolarHBondContact O-N 3.41Å; S20-A23 WeakPolarHBondContact O-CB 3.28Å; S20-A23 PolarHBondContact O-N 2.93Å; S20-F24 WeakPolarHBondContact O-CB 3.49Å; S20-F24 WeakPolarHBondContact O-CD2 3.34Å; S20-F24 PolarHBondContact O-N 2.94Å |
| 21 | A | 64.9 | Low | 64.1 | Low | 60 Ų | 60 | 83.9 Ų | 83.9 | 50% | 0.496 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L17 L18 A23 F24 Y25 | L17-A21 WeakPolarHBondContact O-CB 3.48Å; L17-A21 PolarHBondContact O-N 3.41Å; L18-A21 PolarHBondContact O-N 3.14Å; A21-A23 VanDerWaalsContact C-N 3.27Å; A21-A23 PolarHBondContact O-N 2.95Å; A21-F24 PolarHBondContact O-N 2.91Å; A21-Y25 WeakPolarHBondContact O-CB 2.79Å; A21-Y25 PolarHBondContact O-N 2.78Å |
| 22 | A | 66.1 | Low | 63.7 | Low | 53 Ų | 53 | 84.3 Ų | 84.3 | 44% | 0.438 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L18 A19 Y26 | L18-A22 WeakPolarHBondContact O-CB 3.29Å; L18-A22 PolarHBondContact O-N 3.35Å; A19-A22 PolarHBondContact O-N 3.15Å; A22-Y26 WeakPolarHBondContact O-CB 3.43Å; A22-Y26 PolarHBondContact O-N 3.46Å |
| 23 | A | 64.2 | Low | 63.3 | Low | 16 Ų | 16 | 86.9 Ų | 86.9 | 13% | 0.132 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.9 | -49.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | A19 S20 A21 Y25 Y26 V27 F75 | A19-A23 WeakPolarHBondContact O-CB 3.46Å; A19-A23 PolarHBondContact O-N 3.49Å; S20-A23 WeakPolarHBondContact O-CB 3.28Å; S20-A23 PolarHBondContact O-N 2.93Å; A21-A23 VanDerWaalsContact C-N 3.27Å; A21-A23 PolarHBondContact O-N 2.95Å; A23-Y25 VanDerWaalsContact C-N 3.26Å; A23-Y25 PolarHBondContact O-N 2.89Å; A23-Y26 PolarHBondContact O-N 2.74Å; A23-V27 WeakPolarHBondContact O-CG2 3.48Å; A23-V27 PolarHBondContact O-N 2.78Å; A23-F75 HydrophobicContact CB-CD1 4.27Å; A23-F75 HydrophobicContact CB-CE1 3.08Å; A23-F75 HydrophobicContact CB-CE2 4.48Å; A23-F75 HydrophobicContact CB-CZ 3.22Å |
| 24 | F | 64.9 | Low | 62.8 | Low | 142 Ų | 142 | 87.7 Ų | 87.7 | 62% | 0.623 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.2 | -42.9 | 175.3 | -103.2 | -84.4 | 0 | 0 | 0 | 110.7 | S20 A21 V27 F28 | S20-F24 WeakPolarHBondContact O-CB 3.49Å; S20-F24 WeakPolarHBondContact O-CD2 3.34Å; S20-F24 PolarHBondContact O-N 2.94Å; A21-F24 PolarHBondContact O-N 2.91Å; F24-V27 PolarHBondContact O-N 3.29Å; F24-F28 HydrophobicContact CD1-CD2 4.26Å; F24-F28 HydrophobicContact CD1-CE2 4.18Å; F24-F28 WeakPolarHBondContact O-CB 3.46Å; F24-F28 PolarHBondContact O-N 2.74Å |
| 25 | Y | 68.6 | Low | 62.3 | Low | 147 Ų | 147 | 91.1 Ų | 91.1 | 58% | 0.576 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57.6 | -51.1 | 174.4 | -177.7 | -89.4 | 0 | 0 | 0 | 111 | A21 A23 V27 F28 E29 | A21-Y25 WeakPolarHBondContact O-CB 2.79Å; A21-Y25 PolarHBondContact O-N 2.78Å; A23-Y25 VanDerWaalsContact C-N 3.26Å; A23-Y25 PolarHBondContact O-N 2.89Å; Y25-V27 PolarHBondContact O-N 3.23Å; Y25-F28 PolarHBondContact O-N 3.07Å; Y25-E29 HydrophobicContact CE1-CB 4.46Å; Y25-E29 VanDerWaalsContact CE1-CD 3.46Å; Y25-E29 HydrophobicContact CE1-CG 4.48Å; Y25-E29 WeakPolarHBondContact CE1-OE1 3.31Å; Y25-E29 VanDerWaalsContact CE1-OE2 3.24Å; Y25-E29 WeakPolarHBondContact CE1-OE2 3.14Å; Y25-E29 VanDerWaalsContact O-CB 3.24Å; Y25-E29 WeakPolarHBondContact O-CB 3.42Å; Y25-E29 PolarHBondContact O-N 3.42Å; Y25-E29 PolarHBondContact OH-OE1 2.8Å |
| 26 | Y | 64.9 | Low | 61.9 | Low | 153 Ų | 153 | 92.7 Ų | 92.7 | 60% | 0.6 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 178.5 | -113.8 | -81.2 | 0 | 0 | 0 | 113.2 | A22 A23 I30 | A22-Y26 WeakPolarHBondContact O-CB 3.43Å; A22-Y26 PolarHBondContact O-N 3.46Å; A23-Y26 PolarHBondContact O-N 2.74Å; Y26-I30 HydrophobicContact CD1-CD1 3.98Å; Y26-I30 HydrophobicContact CD1-CG1 4.47Å; Y26-I30 VanDerWaalsContact O-CB 3.26Å; Y26-I30 WeakPolarHBondContact O-CB 3.35Å; Y26-I30 WeakPolarHBondContact O-CD1 3.48Å; Y26-I30 WeakPolarHBondContact O-CG1 3.43Å; Y26-I30 PolarHBondContact O-N 3.32Å |
| 27 | V | 63.7 | Low | 61.5 | Low | 48 Ų | 48 | 93.9 Ų | 93.9 | 29% | 0.291 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 179.3 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | A23 F24 Y25 N31 W71 F75 | A23-V27 WeakPolarHBondContact O-CG2 3.48Å; A23-V27 PolarHBondContact O-N 2.78Å; F24-V27 PolarHBondContact O-N 3.29Å; Y25-V27 PolarHBondContact O-N 3.23Å; V27-N31 WeakPolarHBondContact O-CB 3.33Å; V27-N31 PolarHBondContact O-N 2.86Å; V27-W71 HydrophobicContact CG2-CE3 4.37Å; V27-W71 HydrophobicContact CG2-CZ3 4.22Å; V27-F75 HydrophobicContact CG2-CE2 3.96Å; V27-F75 HydrophobicContact CG2-CZ 4.38Å |
| 28 | F | 62.3 | Low | 61.2 | Low | 136 Ų | 136 | 90.7 Ų | 90.7 | 60% | 0.596 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.4 | -42.9 | 175.9 | -99.2 | -85.1 | 0 | 0 | 0 | 112.3 | F24 Y25 I30 N31 E32 | F24-F28 HydrophobicContact CD1-CD2 4.26Å; F24-F28 HydrophobicContact CD1-CE2 4.18Å; F24-F28 WeakPolarHBondContact O-CB 3.46Å; F24-F28 PolarHBondContact O-N 2.74Å; Y25-F28 PolarHBondContact O-N 3.07Å; F28-I30 PolarHBondContact O-N 3.18Å; F28-N31 PolarHBondContact O-N 2.77Å; F28-E32 WeakPolarHBondContact O-CB 3.29Å; F28-E32 PolarHBondContact O-N 3.35Å |
| 29 | E | 62.7 | Low | 60.6 | Low | 76 Ų | 76 | 89.2 Ų | 89.2 | 36% | 0.355 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 179.5 | -165.4 | 177.9 | -137.5 | 0 | 0 | 111.4 | Y25 T33 | Y25-E29 HydrophobicContact CE1-CB 4.46Å; Y25-E29 VanDerWaalsContact CE1-CD 3.46Å; Y25-E29 HydrophobicContact CE1-CG 4.48Å; Y25-E29 WeakPolarHBondContact CE1-OE1 3.31Å; Y25-E29 VanDerWaalsContact CE1-OE2 3.24Å; Y25-E29 WeakPolarHBondContact CE1-OE2 3.14Å; Y25-E29 VanDerWaalsContact O-CB 3.24Å; Y25-E29 WeakPolarHBondContact O-CB 3.42Å; Y25-E29 PolarHBondContact O-N 3.42Å; Y25-E29 PolarHBondContact OH-OE1 2.8Å; E29-T33 VanDerWaalsContact O-CB 3.25Å; E29-T33 WeakPolarHBondContact O-CB 3.22Å; E29-T33 PolarHBondContact O-N 2.87Å; E29-T33 PolarHBondContact O-OG1 3.47Å |
| 30 | I | 60.9 | Low | 60.2 | Low | 56 Ų | 56 | 91.2 Ų | 91.2 | 29% | 0.287 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 168.9 | -71.6 | 168.3 | 0 | 0 | 0 | 110.3 | Y26 F28 E32 Y34 | Y26-I30 HydrophobicContact CD1-CD1 3.98Å; Y26-I30 HydrophobicContact CD1-CG1 4.47Å; Y26-I30 VanDerWaalsContact O-CB 3.26Å; Y26-I30 WeakPolarHBondContact O-CB 3.35Å; Y26-I30 WeakPolarHBondContact O-CD1 3.48Å; Y26-I30 WeakPolarHBondContact O-CG1 3.43Å; Y26-I30 PolarHBondContact O-N 3.32Å; F28-I30 PolarHBondContact O-N 3.18Å; I30-E32 PolarHBondContact O-N 2.88Å; I30-Y34 HydrophobicContact CB-CE2 4.27Å; I30-Y34 HydrophobicContact CG1-CE2 4.44Å; I30-Y34 HydrophobicContact CG2-CD2 3.93Å; I30-Y34 HydrophobicContact CG2-CE2 3.67Å; I30-Y34 WeakPolarHBondContact O-CB 3.37Å; I30-Y34 WeakPolarHBondContact O-CD2 3.44Å; I30-Y34 PolarHBondContact O-N 3.34Å |
| 31 | N | 56.1 | Low | 59.7 | Low | 108 Ų | 108 | 96.3 Ų | 96.3 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 179 | -119 | -18.7 | 0 | 0 | 0 | 112.1 | V27 F28 Y34 N35 | V27-N31 WeakPolarHBondContact O-CB 3.33Å; V27-N31 PolarHBondContact O-N 2.86Å; F28-N31 PolarHBondContact O-N 2.77Å; N31-Y34 PolarHBondContact O-N 3.03Å; N31-N35 VanDerWaalsContact O-CB 3.3Å; N31-N35 WeakPolarHBondContact O-CB 3.11Å; N31-N35 PolarHBondContact O-N 3.45Å |
| 32 | E | 56.9 | Low | 59.2 | Low | 130 Ų | 130 | 100.3 Ų | 100.3 | 61% | 0.607 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.2 | -42.6 | -175.5 | -164.7 | 176.6 | 178.8 | 0 | 0 | 112.5 | F28 I30 Y34 N35 K36 | F28-E32 WeakPolarHBondContact O-CB 3.29Å; F28-E32 PolarHBondContact O-N 3.35Å; I30-E32 PolarHBondContact O-N 2.88Å; E32-Y34 VanDerWaalsContact C-N 3.28Å; E32-Y34 PolarHBondContact O-N 3.15Å; E32-N35 PolarHBondContact O-N 2.93Å; E32-K36 PolarHBondContact O-N 3.27Å; E32-K36 VanDerWaalsContact O-N 3.09Å |
| 33 | T | 56 | Low | 58.7 | Low | 70 Ų | 70 | 105.2 Ų | 105.2 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | E29 L37 | E29-T33 VanDerWaalsContact O-CB 3.25Å; E29-T33 WeakPolarHBondContact O-CB 3.22Å; E29-T33 PolarHBondContact O-N 2.87Å; E29-T33 PolarHBondContact O-OG1 3.47Å; T33-L37 HydrophobicContact CG2-CD1 4.08Å; T33-L37 WeakPolarHBondContact O-CD1 3.06Å; T33-L37 VanDerWaalsContact O-CG 3.31Å; T33-L37 WeakPolarHBondContact O-CG 3.14Å; T33-L37 PolarHBondContact O-N 3.06Å; T33-L37 VanDerWaalsContact O-N 3.14Å |
| 34 | Y | 52.2 | Low | 58 | Low | 74 Ų | 74 | 111 Ų | 111 | 29% | 0.29 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -82.5 | -31.7 | -177.4 | -72.8 | -115 | 0 | 0 | 0 | 111.8 | I30 N31 E32 K36 L37 A38 K60 L64 | I30-Y34 HydrophobicContact CB-CE2 4.27Å; I30-Y34 HydrophobicContact CG1-CE2 4.44Å; I30-Y34 HydrophobicContact CG2-CD2 3.93Å; I30-Y34 HydrophobicContact CG2-CE2 3.67Å; I30-Y34 WeakPolarHBondContact O-CB 3.37Å; I30-Y34 WeakPolarHBondContact O-CD2 3.44Å; I30-Y34 PolarHBondContact O-N 3.34Å; N31-Y34 PolarHBondContact O-N 3.03Å; E32-Y34 VanDerWaalsContact C-N 3.28Å; E32-Y34 PolarHBondContact O-N 3.15Å; Y34-K36 VanDerWaalsContact C-N 3.32Å; Y34-L37 PolarHBondContact O-N 3.44Å; Y34-A38 WeakPolarHBondContact O-CB 2.99Å; Y34-A38 PolarHBondContact O-N 3.26Å; Y34-K60 HydrophobicContact CE1-CD 4.07Å; Y34-K60 WeakPolarHBondContact OH-CE 3.47Å; Y34-K60 PolarHBondContact OH-NZ 3.19Å; Y34-L64 HydrophobicContact CD1-CD1 4.37Å |
| 35 | N | 55.9 | Low | 57.1 | Low | 113 Ų | 113 | 109.5 Ų | 109.5 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.5 | -38.1 | 172.9 | -153.2 | 20.6 | 0 | 0 | 0 | 111 | N31 E32 L39 | N31-N35 VanDerWaalsContact O-CB 3.3Å; N31-N35 WeakPolarHBondContact O-CB 3.11Å; N31-N35 PolarHBondContact O-N 3.45Å; E32-N35 PolarHBondContact O-N 2.93Å; N35-L39 WeakPolarHBondContact O-CB 3.27Å; N35-L39 PolarHBondContact O-N 3.15Å; N35-L39 VanDerWaalsContact O-N 3.09Å |
| 36 | K | 56.2 | Low | 56.1 | Low | 149 Ų | 149 | 108.2 Ų | 108.2 | 65% | 0.648 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.7 | -49.6 | 171.6 | -93.2 | -175.5 | 173.3 | 177.1 | 0 | 112.7 | E32 Y34 A38 L39 E40 | E32-K36 PolarHBondContact O-N 3.27Å; E32-K36 VanDerWaalsContact O-N 3.09Å; Y34-K36 VanDerWaalsContact C-N 3.32Å; K36-A38 PolarHBondContact O-N 3.45Å; K36-L39 PolarHBondContact O-N 3.39Å; K36-E40 VanDerWaalsContact O-CB 3.28Å; K36-E40 WeakPolarHBondContact O-CB 3.46Å; K36-E40 PolarHBondContact O-N 2.98Å |
| 37 | L | 55.3 | Low | 55.1 | Low | 98 Ų | 98 | 108.9 Ų | 108.9 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.9 | -37.4 | -178.4 | -72.7 | 166.5 | 0 | 0 | 0 | 112.8 | T33 Y34 H41 | T33-L37 HydrophobicContact CG2-CD1 4.08Å; T33-L37 WeakPolarHBondContact O-CD1 3.06Å; T33-L37 VanDerWaalsContact O-CG 3.31Å; T33-L37 WeakPolarHBondContact O-CG 3.14Å; T33-L37 PolarHBondContact O-N 3.06Å; T33-L37 VanDerWaalsContact O-N 3.14Å; Y34-L37 PolarHBondContact O-N 3.44Å; L37-H41 VanDerWaalsContact O-CB 3.29Å; L37-H41 WeakPolarHBondContact O-CB 3.32Å; L37-H41 PolarHBondContact O-N 3.32Å |
| 38 | A | 56.9 | Low | 54.1 | Low | 51 Ų | 51 | 115 Ų | 115 | 42% | 0.421 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y34 K36 H41 I42 | Y34-A38 WeakPolarHBondContact O-CB 2.99Å; Y34-A38 PolarHBondContact O-N 3.26Å; K36-A38 PolarHBondContact O-N 3.45Å; A38-H41 PolarHBondContact O-N 2.89Å; A38-I42 WeakPolarHBondContact O-CD1 3.37Å; A38-I42 VanDerWaalsContact O-CG1 3.25Å; A38-I42 WeakPolarHBondContact O-CG1 3.19Å; A38-I42 PolarHBondContact O-N 3.12Å |
| 39 | L | 56.2 | Low | 53.6 | Low | 103 Ų | 103 | 113.5 Ų | 113.5 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.9 | -36.2 | 178.8 | -155.4 | 135.4 | 0 | 0 | 0 | 111.5 | N35 K36 Q43 | N35-L39 WeakPolarHBondContact O-CB 3.27Å; N35-L39 PolarHBondContact O-N 3.15Å; N35-L39 VanDerWaalsContact O-N 3.09Å; K36-L39 PolarHBondContact O-N 3.39Å; L39-Q43 PolarHBondContact O-N 2.94Å; L39-Q43 VanDerWaalsContact O-N 3.09Å |
| 40 | E | 56.1 | Low | 52.7 | Low | 102 Ų | 102 | 118.6 Ų | 118.6 | 48% | 0.477 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.3 | -39.7 | 173.5 | -163 | 175.6 | 175.6 | 0 | 0 | 111.9 | K36 Q43 Q44 | K36-E40 VanDerWaalsContact O-CB 3.28Å; K36-E40 WeakPolarHBondContact O-CB 3.46Å; K36-E40 PolarHBondContact O-N 2.98Å; E40-Q43 PolarHBondContact O-N 2.85Å; E40-Q44 WeakPolarHBondContact O-CB 3.48Å; E40-Q44 PolarHBondContact O-N 3.39Å |
| 41 | H | 52.7 | Low | 52.1 | Low | 137 Ų | 137 | 125 Ų | 125 | 63% | 0.634 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.3 | -35.5 | 177.4 | -156.9 | 71.6 | 0 | 0 | 0 | 113.1 | L37 A38 H45 | L37-H41 VanDerWaalsContact O-CB 3.29Å; L37-H41 WeakPolarHBondContact O-CB 3.32Å; L37-H41 PolarHBondContact O-N 3.32Å; A38-H41 PolarHBondContact O-N 2.89Å; H41-H45 PolarHBondContact O-N 3.5Å |
| 42 | I | 55.1 | Low | 51.7 | Low | 145 Ų | 145 | 123.4 Ų | 123.4 | 74% | 0.744 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.4 | -33.4 | 174.5 | -66.2 | 166.5 | 0 | 0 | 0 | 111 | A38 | A38-I42 WeakPolarHBondContact O-CD1 3.37Å; A38-I42 VanDerWaalsContact O-CG1 3.25Å; A38-I42 WeakPolarHBondContact O-CG1 3.19Å; A38-I42 PolarHBondContact O-N 3.12Å |
| 43 | Q | 54.1 | Low | 51.5 | Low | 156 Ų | 156 | 121.6 Ų | 121.6 | 73% | 0.729 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -76.7 | -27.6 | 175.9 | -98.2 | -176.3 | -81.8 | 0 | 0 | 113.9 | L39 E40 | L39-Q43 PolarHBondContact O-N 2.94Å; L39-Q43 VanDerWaalsContact O-N 3.09Å; E40-Q43 PolarHBondContact O-N 2.85Å |
| 44 | Q | 50.6 | Low | 51.5 | Low | 136 Ų | 136 | 123 Ų | 123 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -99.3 | -11.6 | -171.5 | -78.7 | -170.2 | -42.5 | 0 | 0 | 116.7 | E40 | E40-Q44 WeakPolarHBondContact O-CB 3.48Å; E40-Q44 PolarHBondContact O-N 3.39Å |
| 45 | H | 45.3 | Very low | 51.2 | Low | 111 Ų | 111 | 129 Ų | 129 | 51% | 0.514 | 66% | 0.663 | S | S | . | * | trans | -140 | 105.9 | -174 | -123.3 | -122.2 | 0 | 0 | 0 | 116.6 | H41 K47 | H41-H45 PolarHBondContact O-N 3.5Å; H45-K47 VanDerWaalsContact CE1-C 3.46Å; H45-K47 PolarHBondContact CE1-O 3.3Å; H45-K47 PolarHBondContact ND1-O 3.07Å | ||
| 46 | P | 47.7 | Very low | 51 | Low | 121 Ų | 121 | 128.1 Ų | 128.1 | 79% | 0.786 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -104.2 | 79.9 | 136.3 | 33.3 | -23.1 | 0 | 0 | 0 | 108.9 | ||
| 47 | K | 44.1 | Very low | 50.8 | Low | 167 Ų | 167 | 126.5 Ų | 126.5 | 73% | 0.726 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 178.4 | 96.8 | 157.2 | -104.7 | 161.6 | -176.2 | 173.6 | 0 | 116.2 | H45 | H45-K47 VanDerWaalsContact CE1-C 3.46Å; H45-K47 PolarHBondContact CE1-O 3.3Å; H45-K47 PolarHBondContact ND1-O 3.07Å |
| 48 | E | 42.8 | Very low | 50.5 | Low | 175 Ų | 175 | 124.8 Ų | 124.8 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | 72.4 | 157.8 | 146.9 | -79.8 | -161.3 | 110.7 | 0 | 0 | 122 | ||||
| 49 | P | 53 | Low | 50.4 | Low | 105 Ų | 105 | 126.1 Ų | 126.1 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | trans | -103.2 | 141.8 | -153.2 | 37.8 | -28 | 0 | 0 | 0 | 113.3 | ||||
| 50 | Q | 43.6 | Very low | 50.2 | Low | 183 Ų | 183 | 126 Ų | 126 | 86% | 0.855 | 65% | 0.647 | S | S | * | * | trans | -123.8 | 128.9 | 170.1 | -81.7 | -166.5 | -5.9 | 0 | 0 | 112.1 | G52 | Q50-G52 VanDerWaalsContact C-N 3.32Å; Q50-G52 PolarHBondContact O-N 3.4Å; Q50-G52 VanDerWaalsContact O-N 3.15Å | ||
| 51 | E | 48.3 | Very low | 50.1 | Low | 192 Ų | 192 | 125 Ų | 125 | 90% | 0.897 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 21.7 | -160.1 | -64 | 177.1 | 121.5 | 0 | 0 | 116 | ||
| 52 | G | 46.7 | Very low | 50.1 | Low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -16.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q50 | Q50-G52 VanDerWaalsContact C-N 3.32Å; Q50-G52 PolarHBondContact O-N 3.4Å; Q50-G52 VanDerWaalsContact O-N 3.15Å |
| 53 | T | 52.5 | Low | 50.1 | Low | 92 Ų | 92 | 123.9 Ų | 123.9 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -115.4 | 4.4 | -161.5 | 39.5 | 0 | 0 | 0 | 0 | 114.3 | W55 T56 H57 | T53-W55 PolarHBondContact O-N 2.88Å; T53-T56 PolarHBondContact O-OG1 2.91Å; T53-H57 WeakPolarHBondContact O-CB 3.47Å; T53-H57 PolarHBondContact O-N 2.72Å |
| 54 | T | 55.7 | Low | 50 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 60% | 0.601 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.5 | -33.6 | -157.3 | -29.9 | 0 | 0 | 0 | 0 | 114.4 | S58 | T54-S58 WeakPolarHBondContact O-CB 3.47Å; T54-S58 PolarHBondContact O-N 3.24Å |
| 55 | W | 46 | Very low | 50 | Low | 202 Ų | 202 | 120.3 Ų | 120.3 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80.3 | -43.1 | -174.3 | -133.9 | 82.3 | 0 | 0 | 0 | 113.2 | T53 L59 | T53-W55 PolarHBondContact O-N 2.88Å; W55-L59 HydrophobicContact CE3-CD1 3.54Å; W55-L59 HydrophobicContact CE3-CG 4.08Å; W55-L59 HydrophobicContact CH2-CD1 4.45Å; W55-L59 HydrophobicContact CZ3-CD1 3.45Å; W55-L59 VanDerWaalsContact CZ3-CD1 3.45Å; W55-L59 HydrophobicContact CZ3-CG 4.14Å; W55-L59 WeakPolarHBondContact O-CB 3.43Å; W55-L59 WeakPolarHBondContact O-CG 3.24Å; W55-L59 PolarHBondContact O-N 3.33Å |
| 56 | T | 52.1 | Low | 50.4 | Low | 93 Ų | 93 | 117.7 Ų | 117.7 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.5 | -34.7 | 175.3 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | T53 K60 | T53-T56 PolarHBondContact O-OG1 2.91Å; T56-K60 VanDerWaalsContact O-CB 3.24Å; T56-K60 WeakPolarHBondContact O-CB 3.32Å; T56-K60 VanDerWaalsContact O-CG 3.26Å; T56-K60 WeakPolarHBondContact O-CG 3.26Å; T56-K60 PolarHBondContact O-N 2.98Å |
| 57 | H | 52.3 | Low | 50.9 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 54% | 0.537 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.9 | -41 | 173.6 | -160.2 | -94.3 | 0 | 0 | 0 | 111.7 | T53 K60 V61 | T53-H57 WeakPolarHBondContact O-CB 3.47Å; T53-H57 PolarHBondContact O-N 2.72Å; H57-K60 PolarHBondContact O-N 2.74Å; H57-V61 WeakPolarHBondContact O-CB 3.42Å; H57-V61 WeakPolarHBondContact O-CG2 2.99Å; H57-V61 PolarHBondContact O-N 3.29Å |
| 58 | S | 48.6 | Very low | 51.5 | Low | 62 Ų | 62 | 115.4 Ų | 115.4 | 43% | 0.434 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.3 | -38.2 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | T54 R62 | T54-S58 WeakPolarHBondContact O-CB 3.47Å; T54-S58 PolarHBondContact O-N 3.24Å; S58-R62 WeakPolarHBondContact O-CB 3.46Å; S58-R62 PolarHBondContact O-N 3.39Å |
| 59 | L | 54.6 | Low | 51.7 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 41% | 0.408 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65 | -41.2 | 170.4 | -78.8 | 179.4 | 0 | 0 | 0 | 112.2 | W55 R62 L63 | W55-L59 HydrophobicContact CE3-CD1 3.54Å; W55-L59 HydrophobicContact CE3-CG 4.08Å; W55-L59 HydrophobicContact CH2-CD1 4.45Å; W55-L59 HydrophobicContact CZ3-CD1 3.45Å; W55-L59 VanDerWaalsContact CZ3-CD1 3.45Å; W55-L59 HydrophobicContact CZ3-CG 4.14Å; W55-L59 WeakPolarHBondContact O-CB 3.43Å; W55-L59 WeakPolarHBondContact O-CG 3.24Å; W55-L59 PolarHBondContact O-N 3.33Å; L59-R62 CarbonylContact O-C 3.59Å; L59-R62 PolarHBondContact O-N 3.25Å; L59-L63 VanDerWaalsContact O-CB 3.29Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 WeakPolarHBondContact O-CD1 3.2Å; L59-L63 PolarHBondContact O-N 2.88Å |
| 60 | K | 53.6 | Low | 52 | Low | 101 Ų | 101 | 113.9 Ų | 113.9 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.6 | -45.8 | 176 | -83.2 | 179.8 | 172.1 | -167.7 | 0 | 112.1 | Y34 T56 H57 R62 L63 L64 | Y34-K60 HydrophobicContact CE1-CD 4.07Å; Y34-K60 WeakPolarHBondContact OH-CE 3.47Å; Y34-K60 PolarHBondContact OH-NZ 3.19Å; T56-K60 VanDerWaalsContact O-CB 3.24Å; T56-K60 WeakPolarHBondContact O-CB 3.32Å; T56-K60 VanDerWaalsContact O-CG 3.26Å; T56-K60 WeakPolarHBondContact O-CG 3.26Å; T56-K60 PolarHBondContact O-N 2.98Å; H57-K60 PolarHBondContact O-N 2.74Å; K60-R62 VanDerWaalsContact C-N 3.27Å; K60-R62 PolarHBondContact O-N 3.29Å; K60-L63 CarbonylContact O-C 3.55Å; K60-L63 WeakPolarHBondContact O-CB 3.15Å; K60-L63 PolarHBondContact O-N 2.85Å; K60-L64 VanDerWaalsContact O-CB 3.29Å; K60-L64 WeakPolarHBondContact O-CB 3.19Å; K60-L64 PolarHBondContact O-N 3.4Å |
| 61 | V | 53.4 | Low | 52.9 | Low | 80 Ų | 80 | 109.2 Ų | 109.2 | 49% | 0.485 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -38.1 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | H57 L64 S65 | H57-V61 WeakPolarHBondContact O-CB 3.42Å; H57-V61 WeakPolarHBondContact O-CG2 2.99Å; H57-V61 PolarHBondContact O-N 3.29Å; V61-L64 PolarHBondContact O-N 2.89Å; V61-S65 WeakPolarHBondContact O-CB 3.25Å; V61-S65 PolarHBondContact O-N 3.02Å |
| 62 | R | 52 | Low | 53.4 | Low | 174 Ų | 174 | 102.6 Ų | 102.6 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.9 | -37.3 | 175.1 | -168.5 | 170.1 | -73.7 | -169.6 | -4.6 | 112.1 | S58 L59 K60 S65 L66 | S58-R62 WeakPolarHBondContact O-CB 3.46Å; S58-R62 PolarHBondContact O-N 3.39Å; L59-R62 CarbonylContact O-C 3.59Å; L59-R62 PolarHBondContact O-N 3.25Å; K60-R62 VanDerWaalsContact C-N 3.27Å; K60-R62 PolarHBondContact O-N 3.29Å; R62-S65 CarbonylContact O-C 3.53Å; R62-L66 WeakPolarHBondContact O-CG 3.25Å; R62-L66 PolarHBondContact O-N 3.36Å; R62-L66 VanDerWaalsContact O-N 3.07Å |
| 63 | L | 54.5 | Low | 54.1 | Low | 86 Ų | 86 | 101.6 Ų | 101.6 | 45% | 0.45 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 172.5 | -95.7 | 148 | 0 | 0 | 0 | 112.9 | L59 K60 L66 | L59-L63 VanDerWaalsContact O-CB 3.29Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 WeakPolarHBondContact O-CD1 3.2Å; L59-L63 PolarHBondContact O-N 2.88Å; K60-L63 CarbonylContact O-C 3.55Å; K60-L63 WeakPolarHBondContact O-CB 3.15Å; K60-L63 PolarHBondContact O-N 2.85Å; L63-L66 HydrophobicContact CD2-CD1 3.9Å; L63-L66 HydrophobicContact CG-CD1 4.22Å; L63-L66 WeakPolarHBondContact O-CB 3.39Å; L63-L66 PolarHBondContact O-N 2.91Å |
| 64 | L | 52.6 | Low | 54.9 | Low | 125 Ų | 125 | 101.5 Ų | 101.5 | 65% | 0.654 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.4 | -31.5 | 176 | -144.3 | 89.8 | 0 | 0 | 0 | 111.3 | Y34 K60 V61 L66 | Y34-L64 HydrophobicContact CD1-CD1 4.37Å; K60-L64 VanDerWaalsContact O-CB 3.29Å; K60-L64 WeakPolarHBondContact O-CB 3.19Å; K60-L64 PolarHBondContact O-N 3.4Å; V61-L64 PolarHBondContact O-N 2.89Å; L64-L66 VanDerWaalsContact C-N 3.27Å |
| 65 | S | 51.4 | Low | 55.3 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 64% | 0.643 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.7 | 170.6 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | V61 R62 P67 | V61-S65 WeakPolarHBondContact O-CB 3.25Å; V61-S65 PolarHBondContact O-N 3.02Å; R62-S65 CarbonylContact O-C 3.53Å; S65-P67 WeakPolarHBondContact O-CD 3.34Å |
| 66 | L | 53.2 | Low | 56.2 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 29% | 0.288 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -67.4 | 123.4 | 172.3 | -69.1 | 170.3 | 0 | 0 | 0 | 106.8 | R62 L63 L64 F68 L70 | R62-L66 WeakPolarHBondContact O-CG 3.25Å; R62-L66 PolarHBondContact O-N 3.36Å; R62-L66 VanDerWaalsContact O-N 3.07Å; L63-L66 HydrophobicContact CD2-CD1 3.9Å; L63-L66 HydrophobicContact CG-CD1 4.22Å; L63-L66 WeakPolarHBondContact O-CB 3.39Å; L63-L66 PolarHBondContact O-N 2.91Å; L64-L66 VanDerWaalsContact C-N 3.27Å; L66-F68 PolarHBondContact O-N 2.86Å; L66-L70 HydrophobicContact CB-CB 4.12Å; L66-L70 HydrophobicContact CB-CD1 4.08Å; L66-L70 HydrophobicContact CD2-CD1 3.49Å; L66-L70 VanDerWaalsContact CD2-CD1 3.49Å; L66-L70 HydrophobicContact CG-CD1 4.21Å |
| 67 | P | 58.2 | Low | 56.8 | Low | 72 Ų | 72 | 94 Ų | 94 | 47% | 0.468 | 47% | 0.465 | S | S | . | . | trans | -54 | 145.7 | -176.6 | 22.5 | -33.8 | 0 | 0 | 0 | 109.3 | S65 W69 L70 | S65-P67 WeakPolarHBondContact O-CD 3.34Å; P67-W69 HydrophobicContact CB-CB 4.34Å; P67-W69 CarbonylContact O-C 3.59Å; P67-W69 PolarHBondContact O-N 3.29Å; P67-L70 HydrophobicContact CG-CB 4.47Å; P67-L70 HydrophobicContact CG-CD1 4.06Å; P67-L70 WeakPolarHBondContact O-CB 3.24Å; P67-L70 PolarHBondContact O-N 2.99Å | ||
| 68 | F | 55.9 | Low | 57.3 | Low | 169 Ų | 169 | 91.5 Ų | 91.5 | 74% | 0.741 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -42.7 | -35.5 | 174.9 | 178.9 | -99.6 | 0 | 0 | 0 | 112.5 | L66 L70 W71 T72 | L66-F68 PolarHBondContact O-N 2.86Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.95Å; F68-W71 WeakPolarHBondContact O-CB 3.5Å; F68-W71 PolarHBondContact O-N 3.27Å; F68-W71 VanDerWaalsContact O-N 3.15Å; F68-T72 PolarHBondContact O-N 2.89Å; F68-T72 PolarHBondContact O-OG1 3.29Å |
| 69 | W | 47.8 | Very low | 58.1 | Low | 191 Ų | 191 | 93.4 Ų | 93.4 | 72% | 0.723 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -51.1 | -39.1 | 171.2 | -85.7 | 85.6 | 0 | 0 | 0 | 115.9 | P67 T72 I73 | P67-W69 HydrophobicContact CB-CB 4.34Å; P67-W69 CarbonylContact O-C 3.59Å; P67-W69 PolarHBondContact O-N 3.29Å; W69-T72 WeakPolarHBondContact O-CB 3.33Å; W69-T72 PolarHBondContact O-N 2.95Å; W69-I73 HydrophobicContact CE3-CD1 4.47Å; W69-I73 WeakPolarHBondContact O-CB 3.29Å; W69-I73 WeakPolarHBondContact O-CD1 3.26Å; W69-I73 WeakPolarHBondContact O-CG1 3.4Å; W69-I73 PolarHBondContact O-N 3.43Å |
| 70 | L | 58.5 | Low | 58.6 | Low | 57 Ų | 57 | 93.2 Ų | 93.2 | 30% | 0.298 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.4 | -37 | 179.4 | -111 | 152.6 | 0 | 0 | 0 | 111.5 | L66 P67 F68 I73 I74 | L66-L70 HydrophobicContact CB-CB 4.12Å; L66-L70 HydrophobicContact CB-CD1 4.08Å; L66-L70 HydrophobicContact CD2-CD1 3.49Å; L66-L70 VanDerWaalsContact CD2-CD1 3.49Å; L66-L70 HydrophobicContact CG-CD1 4.21Å; P67-L70 HydrophobicContact CG-CB 4.47Å; P67-L70 HydrophobicContact CG-CD1 4.06Å; P67-L70 WeakPolarHBondContact O-CB 3.24Å; P67-L70 PolarHBondContact O-N 2.99Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.95Å; L70-I73 PolarHBondContact O-N 2.96Å; L70-I74 WeakPolarHBondContact O-CB 3.3Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.28Å; L70-I74 PolarHBondContact O-N 2.8Å |
| 71 | W | 62.8 | Low | 58.9 | Low | 84 Ų | 84 | 93.7 Ų | 93.7 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 169.9 | -73.4 | 94.2 | 0 | 0 | 0 | 111.1 | V27 F68 I73 I74 F75 | V27-W71 HydrophobicContact CG2-CE3 4.37Å; V27-W71 HydrophobicContact CG2-CZ3 4.22Å; F68-W71 WeakPolarHBondContact O-CB 3.5Å; F68-W71 PolarHBondContact O-N 3.27Å; F68-W71 VanDerWaalsContact O-N 3.15Å; W71-I73 VanDerWaalsContact C-N 3.3Å; W71-I73 PolarHBondContact O-N 3.48Å; W71-I74 PolarHBondContact O-N 3.26Å; W71-F75 HydrophobicContact CE3-CE2 4.36Å; W71-F75 WeakPolarHBondContact O-CD2 3.37Å; W71-F75 PolarHBondContact O-N 3.32Å |
| 72 | T | 58.5 | Low | 59.4 | Low | 54 Ų | 54 | 92.9 Ų | 92.9 | 33% | 0.331 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 173.4 | -45.5 | 0 | 0 | 0 | 0 | 110.9 | F68 W69 F75 L76 | F68-T72 PolarHBondContact O-N 2.89Å; F68-T72 PolarHBondContact O-OG1 3.29Å; W69-T72 WeakPolarHBondContact O-CB 3.33Å; W69-T72 PolarHBondContact O-N 2.95Å; T72-F75 PolarHBondContact O-N 3.38Å; T72-L76 WeakPolarHBondContact O-CA 3.47Å; T72-L76 WeakPolarHBondContact O-CB 3.37Å; T72-L76 PolarHBondContact O-N 3.18Å |
| 73 | I | 62.5 | Low | 59.9 | Low | 53 Ų | 53 | 90.1 Ų | 90.1 | 27% | 0.272 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 178.6 | -71.7 | 165.3 | 0 | 0 | 0 | 111.4 | W69 L70 W71 F75 L76 I77 | W69-I73 HydrophobicContact CE3-CD1 4.47Å; W69-I73 WeakPolarHBondContact O-CB 3.29Å; W69-I73 WeakPolarHBondContact O-CD1 3.26Å; W69-I73 WeakPolarHBondContact O-CG1 3.4Å; W69-I73 PolarHBondContact O-N 3.43Å; L70-I73 PolarHBondContact O-N 2.96Å; W71-I73 VanDerWaalsContact C-N 3.3Å; W71-I73 PolarHBondContact O-N 3.48Å; I73-F75 PolarHBondContact O-N 3.34Å; I73-L76 PolarHBondContact O-N 3.01Å; I73-I77 HydrophobicContact CG2-CD1 3.38Å; I73-I77 HydrophobicContact CG2-CG1 3.94Å; I73-I77 WeakPolarHBondContact O-CB 3.4Å; I73-I77 WeakPolarHBondContact O-CG1 3.4Å; I73-I77 PolarHBondContact O-N 3.24Å |
| 74 | I | 68.5 | Low | 60.3 | Low | 89 Ų | 89 | 87.6 Ų | 87.6 | 46% | 0.456 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.5 | -33.7 | 175.6 | -78.9 | 166.9 | 0 | 0 | 0 | 111.4 | L70 W71 P78 | L70-I74 WeakPolarHBondContact O-CB 3.3Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.28Å; L70-I74 PolarHBondContact O-N 2.8Å; W71-I74 PolarHBondContact O-N 3.26Å; I74-P78 WeakPolarHBondContact O-CD 3.24Å; I74-P78 WeakPolarHBondContact O-CG 3.44Å |
| 75 | F | 63.6 | Low | 60.8 | Low | 85 Ų | 85 | 87.8 Ų | 87.8 | 37% | 0.373 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -82.9 | -37.8 | 173.8 | -88.6 | -66.5 | 0 | 0 | 0 | 113.9 | A23 V27 W71 T72 I73 P78 Y79 | A23-F75 HydrophobicContact CB-CD1 4.27Å; A23-F75 HydrophobicContact CB-CE1 3.08Å; A23-F75 HydrophobicContact CB-CE2 4.48Å; A23-F75 HydrophobicContact CB-CZ 3.22Å; V27-F75 HydrophobicContact CG2-CE2 3.96Å; V27-F75 HydrophobicContact CG2-CZ 4.38Å; W71-F75 HydrophobicContact CE3-CE2 4.36Å; W71-F75 WeakPolarHBondContact O-CD2 3.37Å; W71-F75 PolarHBondContact O-N 3.32Å; T72-F75 PolarHBondContact O-N 3.38Å; I73-F75 PolarHBondContact O-N 3.34Å; F75-P78 WeakPolarHBondContact O-CD 3.46Å; F75-P78 WeakPolarHBondContact O-CG 3.32Å; F75-Y79 VanDerWaalsContact O-CB 3.26Å; F75-Y79 WeakPolarHBondContact O-CB 3.47Å; F75-Y79 PolarHBondContact O-N 2.88Å |
| 76 | L | 66.1 | Low | 61.4 | Low | 89 Ų | 89 | 85.5 Ų | 85.5 | 47% | 0.466 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -73.4 | -35.1 | -174.7 | -173.1 | 69.1 | 0 | 0 | 0 | 111.8 | T72 I73 Y79 L80 | T72-L76 WeakPolarHBondContact O-CA 3.47Å; T72-L76 WeakPolarHBondContact O-CB 3.37Å; T72-L76 PolarHBondContact O-N 3.18Å; I73-L76 PolarHBondContact O-N 3.01Å; L76-Y79 HydrophobicContact CD1-CD1 4.28Å; L76-Y79 PolarHBondContact O-N 2.92Å; L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 PolarHBondContact O-N 2.88Å |
| 77 | I | 63.8 | Low | 61.8 | Low | 61 Ų | 61 | 87.8 Ų | 87.8 | 31% | 0.313 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.8 | -57.3 | 177.2 | -69.9 | 168.6 | 0 | 0 | 0 | 111.7 | I73 Y79 L80 Q81 I104 | I73-I77 HydrophobicContact CG2-CD1 3.38Å; I73-I77 HydrophobicContact CG2-CG1 3.94Å; I73-I77 WeakPolarHBondContact O-CB 3.4Å; I73-I77 WeakPolarHBondContact O-CG1 3.4Å; I73-I77 PolarHBondContact O-N 3.24Å; I77-Y79 VanDerWaalsContact C-N 3.27Å; I77-Y79 PolarHBondContact O-N 3.36Å; I77-L80 PolarHBondContact O-N 3.44Å; I77-Q81 VanDerWaalsContact O-CB 3.25Å; I77-Q81 WeakPolarHBondContact O-CB 3.35Å; I77-Q81 PolarHBondContact O-N 3.31Å; I77-I104 HydrophobicContact CG2-CG2 4.34Å |
| 78 | P | 63.9 | Low | 61.7 | Low | 64 Ų | 64 | 86 Ų | 86 | 42% | 0.416 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -32.9 | 177.5 | 24.7 | -32.2 | 0 | 0 | 0 | 111.6 | I74 F75 Q81 M82 | I74-P78 WeakPolarHBondContact O-CD 3.24Å; I74-P78 WeakPolarHBondContact O-CG 3.44Å; F75-P78 WeakPolarHBondContact O-CD 3.46Å; F75-P78 WeakPolarHBondContact O-CG 3.32Å; P78-Q81 PolarHBondContact O-N 2.78Å; P78-M82 WeakPolarHBondContact O-CB 3.43Å; P78-M82 WeakPolarHBondContact O-CG 3.31Å; P78-M82 PolarHBondContact O-N 3.39Å |
| 79 | Y | 65.3 | Low | 61.8 | Low | 103 Ų | 103 | 80.9 Ų | 80.9 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.2 | -51.1 | 173.4 | 180 | -116.6 | 0 | 0 | 0 | 112.3 | Y16 F75 L76 I77 Q81 M82 F83 | Y16-Y79 HydrophobicContact CD2-CD2 4.21Å; Y16-Y79 HydrophobicContact CE1-CD2 4.28Å; Y16-Y79 AromaticContact CE1-CE2 3.84Å; Y16-Y79 HydrophobicContact CE1-CE2 3.84Å; Y16-Y79 AromaticContact CE2-CD2 3.24Å; Y16-Y79 HydrophobicContact CE2-CD2 3.24Å; Y16-Y79 AromaticContact CE2-CE2 3.68Å; Y16-Y79 HydrophobicContact CE2-CE2 3.68Å; Y16-Y79 HydrophobicContact CE2-CG 4.39Å; Y16-Y79 AromaticContact CZ-CD2 3.28Å; Y16-Y79 AromaticContact CZ-CE2 3.2Å; Y16-Y79 WeakPolarHBondContact OH-CD2 2.93Å; Y16-Y79 WeakPolarHBondContact OH-CE2 3.07Å; F75-Y79 VanDerWaalsContact O-CB 3.26Å; F75-Y79 WeakPolarHBondContact O-CB 3.47Å; F75-Y79 PolarHBondContact O-N 2.88Å; L76-Y79 HydrophobicContact CD1-CD1 4.28Å; L76-Y79 PolarHBondContact O-N 2.92Å; I77-Y79 VanDerWaalsContact C-N 3.27Å; I77-Y79 PolarHBondContact O-N 3.36Å; Y79-Q81 VanDerWaalsContact C-N 3.31Å; Y79-Q81 PolarHBondContact O-N 2.92Å; Y79-M82 PolarHBondContact O-N 2.92Å; Y79-F83 VanDerWaalsContact O-CB 3.31Å; Y79-F83 WeakPolarHBondContact O-CB 3.3Å; Y79-F83 PolarHBondContact O-N 3.5Å |
| 80 | L | 64.4 | Low | 62.3 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 179.3 | -163.1 | 75.5 | 0 | 0 | 0 | 110.7 | L76 I77 F83 L84 I104 | L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 PolarHBondContact O-N 2.88Å; I77-L80 PolarHBondContact O-N 3.44Å; L80-F83 PolarHBondContact O-N 2.9Å; L80-L84 HydrophobicContact CG-CD1 4.1Å; L80-L84 VanDerWaalsContact O-CB 3.3Å; L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 WeakPolarHBondContact O-CD1 3.13Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 3.45Å; L80-I104 HydrophobicContact CD2-CD1 4.49Å |
| 81 | Q | 59.9 | Low | 61.8 | Low | 111 Ų | 111 | 81.6 Ų | 81.6 | 52% | 0.519 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 177.9 | -162.7 | 149.7 | -44.3 | 0 | 0 | 111.9 | I77 P78 Y79 F85 | I77-Q81 VanDerWaalsContact O-CB 3.25Å; I77-Q81 WeakPolarHBondContact O-CB 3.35Å; I77-Q81 PolarHBondContact O-N 3.31Å; P78-Q81 PolarHBondContact O-N 2.78Å; Y79-Q81 VanDerWaalsContact C-N 3.31Å; Y79-Q81 PolarHBondContact O-N 2.92Å; Q81-F85 VanDerWaalsContact O-CB 3.32Å; Q81-F85 WeakPolarHBondContact O-CB 3.16Å; Q81-F85 PolarHBondContact O-N 3.37Å |
| 82 | M | 63.1 | Low | 61.3 | Low | 62 Ų | 62 | 81.6 Ų | 81.6 | 31% | 0.305 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.7 | -37.9 | 174.8 | -70.1 | -60.3 | -68 | 0 | 0 | 112.4 | P78 Y79 F85 L86 | P78-M82 WeakPolarHBondContact O-CB 3.43Å; P78-M82 WeakPolarHBondContact O-CG 3.31Å; P78-M82 PolarHBondContact O-N 3.39Å; Y79-M82 PolarHBondContact O-N 2.92Å; M82-F85 PolarHBondContact O-N 3.13Å; M82-L86 WeakPolarHBondContact O-CB 3.26Å; M82-L86 WeakPolarHBondContact O-CG 3.39Å; M82-L86 PolarHBondContact O-N 2.92Å |
| 83 | F | 64.2 | Low | 61 | Low | 116 Ų | 116 | 84.8 Ų | 84.8 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 173.5 | -178.7 | -96.1 | 0 | 0 | 0 | 111.4 | Y79 L80 F85 L86 Y87 | Y79-F83 VanDerWaalsContact O-CB 3.31Å; Y79-F83 WeakPolarHBondContact O-CB 3.3Å; Y79-F83 PolarHBondContact O-N 3.5Å; L80-F83 PolarHBondContact O-N 2.9Å; F83-F85 VanDerWaalsContact C-N 3.34Å; F83-F85 PolarHBondContact O-N 2.9Å; F83-L86 PolarHBondContact O-N 3.24Å; F83-Y87 WeakPolarHBondContact O-CB 3.12Å; F83-Y87 PolarHBondContact O-N 2.9Å |
| 84 | L | 62.8 | Low | 60.5 | Low | 33 Ų | 33 | 87.1 Ų | 87.1 | 17% | 0.173 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 176.4 | -71.3 | 166.5 | 0 | 0 | 0 | 112 | L80 S88 C100 | L80-L84 HydrophobicContact CG-CD1 4.1Å; L80-L84 VanDerWaalsContact O-CB 3.3Å; L80-L84 WeakPolarHBondContact O-CB 3.18Å; L80-L84 WeakPolarHBondContact O-CD1 3.13Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 3.45Å; L84-S88 VanDerWaalsContact O-CB 3.27Å; L84-S88 WeakPolarHBondContact O-CB 3.43Å; L84-S88 PolarHBondContact O-N 2.8Å; L84-S88 PolarHBondContact O-OG 2.93Å; L84-C100 HydrophobicContact CD1-CB 3.86Å; L84-C100 HydrophobicContact CD2-CB 3.92Å |
| 85 | F | 62.2 | Low | 59.8 | Low | 130 Ų | 130 | 91.6 Ų | 91.6 | 57% | 0.57 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.7 | -49.6 | 173.9 | -174.5 | -99.7 | 0 | 0 | 0 | 111.5 | Q81 M82 F83 Y87 S88 C89 | Q81-F85 VanDerWaalsContact O-CB 3.32Å; Q81-F85 WeakPolarHBondContact O-CB 3.16Å; Q81-F85 PolarHBondContact O-N 3.37Å; M82-F85 PolarHBondContact O-N 3.13Å; F83-F85 VanDerWaalsContact C-N 3.34Å; F83-F85 PolarHBondContact O-N 2.9Å; F85-Y87 VanDerWaalsContact C-N 3.35Å; F85-Y87 PolarHBondContact O-N 3.35Å; F85-S88 PolarHBondContact O-N 2.85Å; F85-C89 PolarHBondContact O-N 3.46Å; F85-C89 PolarHBondContact O-SG 3.17Å; F85-C89 VanDerWaalsContact O-SG 3.33Å |
| 86 | L | 64.2 | Low | 59.3 | Low | 43 Ų | 43 | 91.7 Ų | 91.7 | 23% | 0.225 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 175 | -78.2 | 166.7 | 0 | 0 | 0 | 111.5 | V13 M82 F83 S88 C89 T90 | V13-L86 HydrophobicContact CG2-CD1 4.21Å; M82-L86 WeakPolarHBondContact O-CB 3.26Å; M82-L86 WeakPolarHBondContact O-CG 3.39Å; M82-L86 PolarHBondContact O-N 2.92Å; F83-L86 PolarHBondContact O-N 3.24Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.35Å; L86-C89 WeakPolarHBondContact O-CB 3.2Å; L86-C89 PolarHBondContact O-N 3.42Å; L86-T90 PolarHBondContact O-N 3.39Å; L86-T90 VanDerWaalsContact O-N 3.07Å; L86-T90 PolarHBondContact O-OG1 3.11Å |
| 87 | Y | 62.8 | Low | 58.7 | Low | 103 Ų | 103 | 89.8 Ų | 89.8 | 40% | 0.404 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.5 | -43 | 175.7 | -177.6 | -103 | 0 | 0 | 0 | 112 | F83 F85 T90 R91 | F83-Y87 WeakPolarHBondContact O-CB 3.12Å; F83-Y87 PolarHBondContact O-N 2.9Å; F85-Y87 VanDerWaalsContact C-N 3.35Å; F85-Y87 PolarHBondContact O-N 3.35Å; Y87-T90 VanDerWaalsContact CA-OG1 3.3Å; Y87-T90 WeakPolarHBondContact CA-OG1 3.38Å; Y87-T90 PolarHBondContact O-N 3.1Å; Y87-T90 PolarHBondContact O-OG1 3.38Å; Y87-R91 PolarHBondContact O-N 3.39Å; Y87-R91 PolarHBondContact OH-NE 2.85Å; Y87-R91 PolarHBondContact OH-NH1 3.32Å; Y87-R91 VanDerWaalsContact OH-NH1 3.1Å |
| 88 | S | 55.9 | Low | 58.3 | Low | 36 Ų | 36 | 88.8 Ų | 88.8 | 25% | 0.252 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | L84 F85 L86 T90 R91 V97 | L84-S88 VanDerWaalsContact O-CB 3.27Å; L84-S88 WeakPolarHBondContact O-CB 3.43Å; L84-S88 PolarHBondContact O-N 2.8Å; L84-S88 PolarHBondContact O-OG 2.93Å; F85-S88 PolarHBondContact O-N 2.85Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.35Å; S88-T90 PolarHBondContact O-N 2.88Å; S88-R91 PolarHBondContact O-N 3.39Å; S88-V97 WeakPolarHBondContact OG-CG2 2.88Å |
| 89 | C | 56.8 | Low | 57.8 | Low | 60 Ų | 60 | 94 Ų | 94 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.2 | -28.6 | 172.3 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | R5 F85 L86 | R5-C89 PolarHBondContact NH1-O 3.22Å; F85-C89 PolarHBondContact O-N 3.46Å; F85-C89 PolarHBondContact O-SG 3.17Å; F85-C89 VanDerWaalsContact O-SG 3.33Å; L86-C89 WeakPolarHBondContact O-CB 3.2Å; L86-C89 PolarHBondContact O-N 3.42Å |
| 90 | T | 59 | Low | 57.3 | Low | 108 Ų | 108 | 91.3 Ų | 91.3 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -83 | -27.1 | 173.7 | 29.7 | 0 | 0 | 0 | 0 | 114.8 | L86 Y87 S88 | L86-T90 PolarHBondContact O-N 3.39Å; L86-T90 VanDerWaalsContact O-N 3.07Å; L86-T90 PolarHBondContact O-OG1 3.11Å; Y87-T90 VanDerWaalsContact CA-OG1 3.3Å; Y87-T90 WeakPolarHBondContact CA-OG1 3.38Å; Y87-T90 PolarHBondContact O-N 3.1Å; Y87-T90 PolarHBondContact O-OG1 3.38Å; S88-T90 PolarHBondContact O-N 2.88Å |
| 91 | R | 48.1 | Very low | 57.2 | Low | 155 Ų | 155 | 92.2 Ų | 92.2 | 59% | 0.585 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -106.1 | 126.8 | 179.2 | -106.2 | -171.5 | -177.7 | -171.5 | 4.7 | 112.1 | Y87 S88 D93 | Y87-R91 PolarHBondContact O-N 3.39Å; Y87-R91 PolarHBondContact OH-NE 2.85Å; Y87-R91 PolarHBondContact OH-NH1 3.32Å; Y87-R91 VanDerWaalsContact OH-NH1 3.1Å; S88-R91 PolarHBondContact O-N 3.39Å; R91-D93 VanDerWaalsContact C-N 3.26Å; R91-D93 PolarHBondContact O-N 3.16Å |
| 92 | A | 51 | Low | 57.2 | Low | 85 Ų | 85 | 91 Ų | 91 | 70% | 0.702 | 48% | 0.479 | S | S | * | . | trans | -74.4 | -0.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 93 | D | 52.3 | Low | 57 | Low | 121 Ų | 121 | 91.6 Ų | 91.6 | 65% | 0.647 | 49% | 0.487 | S | S | * | . | trans | -108.3 | 112.4 | -172.2 | -92.4 | -66.3 | 0 | 0 | 0 | 113.6 | R91 K95 | R91-D93 VanDerWaalsContact C-N 3.26Å; R91-D93 PolarHBondContact O-N 3.16Å; D93-K95 PolarHBondContact O-N 2.85Å | ||
| 94 | P | 52.6 | Low | 56.9 | Low | 101 Ų | 101 | 87.4 Ų | 87.4 | 66% | 0.656 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12.3 | -171.3 | 29.2 | -34.8 | 0 | 0 | 0 | 115.1 | T96 | P94-T96 PolarHBondContact O-N 3.49Š|
| 95 | K | 54.2 | Low | 56.8 | Low | 183 Ų | 183 | 88.8 Ų | 88.8 | 80% | 0.796 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -20.9 | -170.2 | -61.5 | -154.4 | -179.7 | -177.8 | 0 | 114.9 | D93 | D93-K95 PolarHBondContact O-N 2.85Š|
| 96 | T | 53.3 | Low | 57 | Low | 87 Ų | 87 | 87.2 Ų | 87.2 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -19.6 | -179.5 | -37.1 | 0 | 0 | 0 | 0 | 112.9 | P94 G98 Y99 | P94-T96 PolarHBondContact O-N 3.49Å; T96-G98 VanDerWaalsContact C-N 3.31Å; T96-G98 PolarHBondContact O-N 3.34Å; T96-Y99 PolarHBondContact O-N 2.92Å |
| 97 | V | 52.4 | Low | 56.9 | Low | 49 Ų | 49 | 87.2 Ų | 87.2 | 30% | 0.297 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | -177.1 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | S88 Y99 C100 I101 | S88-V97 WeakPolarHBondContact OG-CG2 2.88Å; V97-Y99 VanDerWaalsContact C-N 3.29Å; V97-Y99 PolarHBondContact O-N 3.49Å; V97-C100 PolarHBondContact O-N 3.34Å; V97-C100 VanDerWaalsContact O-N 3.11Å; V97-I101 PolarHBondContact O-N 3.44Å |
| 98 | G | 55.1 | Low | 56.9 | Low | 41 Ų | 41 | 85.8 Ų | 85.8 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T96 C100 I101 | T96-G98 VanDerWaalsContact C-N 3.31Å; T96-G98 PolarHBondContact O-N 3.34Å; G98-C100 VanDerWaalsContact C-N 3.28Å; G98-C100 PolarHBondContact O-N 2.92Å; G98-I101 PolarHBondContact O-N 3.06Å |
| 99 | Y | 54.1 | Low | 57.4 | Low | 173 Ų | 173 | 89.3 Ų | 89.3 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.2 | -25.2 | 177.6 | -71.7 | -77.7 | 0 | 0 | 0 | 113.2 | T96 V97 I102 P103 | T96-Y99 PolarHBondContact O-N 2.92Å; V97-Y99 VanDerWaalsContact C-N 3.29Å; V97-Y99 PolarHBondContact O-N 3.49Å; Y99-I102 HydrophobicContact CD1-CD1 4.2Å; Y99-P103 WeakPolarHBondContact O-CD 3.16Å |
| 100 | C | 55.9 | Low | 57.5 | Low | 46 Ų | 46 | 89.9 Ų | 89.9 | 31% | 0.311 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -82.9 | -19.4 | 177.8 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | L84 V97 G98 P103 | L84-C100 HydrophobicContact CD1-CB 3.86Å; L84-C100 HydrophobicContact CD2-CB 3.92Å; V97-C100 PolarHBondContact O-N 3.34Å; V97-C100 VanDerWaalsContact O-N 3.11Å; G98-C100 VanDerWaalsContact C-N 3.28Å; G98-C100 PolarHBondContact O-N 2.92Å; C100-P103 WeakPolarHBondContact O-CD 3.31Å; C100-P103 VanDerWaalsContact O-CG 3.31Å; C100-P103 WeakPolarHBondContact O-CG 3.32Å |
| 101 | I | 60.6 | Low | 57.6 | Low | 93 Ų | 93 | 88.5 Ų | 88.5 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -76.9 | -32.3 | 174.6 | -65.9 | 167.8 | 0 | 0 | 0 | 110.7 | V97 G98 I104 C105 | V97-I101 PolarHBondContact O-N 3.44Å; G98-I101 PolarHBondContact O-N 3.06Å; I101-I104 PolarHBondContact O-N 3.46Å; I101-I104 VanDerWaalsContact O-N 3.16Å; I101-C105 PolarHBondContact O-N 2.78Å; I101-C105 PolarHBondContact O-SG 3.36Å |
| 102 | I | 60.3 | Low | 58 | Low | 87 Ų | 87 | 90.3 Ų | 90.3 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -52.8 | -49.7 | 178.9 | -67 | 175.2 | 0 | 0 | 0 | 113.8 | Y99 I104 C105 L106 | Y99-I102 HydrophobicContact CD1-CD1 4.2Å; I102-I104 VanDerWaalsContact C-N 3.31Å; I102-I104 PolarHBondContact O-N 3.48Å; I102-C105 PolarHBondContact O-N 2.91Å; I102-L106 HydrophobicContact CG2-CD1 3.95Å; I102-L106 WeakPolarHBondContact O-CB 3.44Å; I102-L106 PolarHBondContact O-N 3.28Å |
| 103 | P | 58.5 | Low | 58.2 | Low | 73 Ų | 73 | 92 Ų | 92 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -31.6 | 179.5 | 23.1 | -33.6 | 0 | 0 | 0 | 113 | Y99 C100 A107 | Y99-P103 WeakPolarHBondContact O-CD 3.16Å; C100-P103 WeakPolarHBondContact O-CD 3.31Å; C100-P103 VanDerWaalsContact O-CG 3.31Å; C100-P103 WeakPolarHBondContact O-CG 3.32Å; P103-A107 WeakPolarHBondContact O-CB 3.25Å; P103-A107 PolarHBondContact O-N 3.34Å |
| 104 | I | 62.9 | Low | 58.4 | Low | 28 Ų | 28 | 92.4 Ų | 92.4 | 14% | 0.144 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -71.2 | -44.5 | 176.2 | -57.8 | 174.8 | 0 | 0 | 0 | 109.8 | I77 L80 I101 I102 L106 A107 V108 | I77-I104 HydrophobicContact CG2-CG2 4.34Å; L80-I104 HydrophobicContact CD2-CD1 4.49Å; I101-I104 PolarHBondContact O-N 3.46Å; I101-I104 VanDerWaalsContact O-N 3.16Å; I102-I104 VanDerWaalsContact C-N 3.31Å; I102-I104 PolarHBondContact O-N 3.48Å; I104-L106 PolarHBondContact O-N 2.95Å; I104-A107 PolarHBondContact O-N 3.2Å; I104-V108 WeakPolarHBondContact O-CG2 3.3Å; I104-V108 PolarHBondContact O-N 2.87Å |
| 105 | C | 60.4 | Low | 58.5 | Low | 62 Ų | 62 | 92 Ų | 92 | 42% | 0.419 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 173.9 | -71 | 0 | 0 | 0 | 0 | 111.9 | I101 I102 V108 I109 | I101-C105 PolarHBondContact O-N 2.78Å; I101-C105 PolarHBondContact O-SG 3.36Å; I102-C105 PolarHBondContact O-N 2.91Å; C105-V108 PolarHBondContact O-N 2.96Å; C105-I109 WeakPolarHBondContact O-CB 3.32Å; C105-I109 WeakPolarHBondContact O-CD1 3.2Å; C105-I109 WeakPolarHBondContact O-CG1 3.47Å; C105-I109 PolarHBondContact O-N 3.45Å |
| 106 | L | 65.8 | Low | 58.6 | Low | 97 Ų | 97 | 90.4 Ų | 90.4 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.4 | -92.1 | 163.8 | 0 | 0 | 0 | 111.6 | I102 I104 V108 I109 C110 | I102-L106 HydrophobicContact CG2-CD1 3.95Å; I102-L106 WeakPolarHBondContact O-CB 3.44Å; I102-L106 PolarHBondContact O-N 3.28Å; I104-L106 PolarHBondContact O-N 2.95Å; L106-V108 VanDerWaalsContact C-N 3.31Å; L106-V108 PolarHBondContact O-N 3.18Å; L106-I109 PolarHBondContact O-N 3.41Å; L106-C110 VanDerWaalsContact O-CB 3.3Å; L106-C110 WeakPolarHBondContact O-CB 3.45Å; L106-C110 PolarHBondContact O-N 2.96Å; L106-C110 PolarHBondContact O-SG 3.42Å |
| 107 | A | 63.4 | Low | 58.9 | Low | 44 Ų | 44 | 89.8 Ų | 89.8 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P103 I104 N111 | P103-A107 WeakPolarHBondContact O-CB 3.25Å; P103-A107 PolarHBondContact O-N 3.34Å; I104-A107 PolarHBondContact O-N 3.2Å; A107-N111 WeakPolarHBondContact O-CB 3.37Å; A107-N111 PolarHBondContact O-N 2.93Å; A107-N111 PolarHBondContact O-ND2 3.4Å |
| 108 | V | 62.5 | Low | 59.1 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 44% | 0.436 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | I104 C105 L106 N111 R112 | I104-V108 WeakPolarHBondContact O-CG2 3.3Å; I104-V108 PolarHBondContact O-N 2.87Å; C105-V108 PolarHBondContact O-N 2.96Å; L106-V108 VanDerWaalsContact C-N 3.31Å; L106-V108 PolarHBondContact O-N 3.18Å; V108-N111 PolarHBondContact O-N 3.34Å; V108-R112 WeakPolarHBondContact O-CB 3.44Å; V108-R112 VanDerWaalsContact O-CG 3.28Å; V108-R112 WeakPolarHBondContact O-CG 3.37Å; V108-R112 PolarHBondContact O-N 2.84Å |
| 109 | I | 65.3 | Low | 59.3 | Low | 111 Ų | 111 | 95.2 Ų | 95.2 | 57% | 0.569 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -43.5 | 178.3 | -67.7 | 165.6 | 0 | 0 | 0 | 110.5 | C105 L106 N111 R112 H113 | C105-I109 WeakPolarHBondContact O-CB 3.32Å; C105-I109 WeakPolarHBondContact O-CD1 3.2Å; C105-I109 WeakPolarHBondContact O-CG1 3.47Å; C105-I109 PolarHBondContact O-N 3.45Å; L106-I109 PolarHBondContact O-N 3.41Å; I109-N111 PolarHBondContact O-N 2.69Å; I109-R112 PolarHBondContact O-N 3.49Å; I109-H113 WeakPolarHBondContact O-CB 3.46Å; I109-H113 PolarHBondContact O-N 2.89Å |
| 110 | C | 60.3 | Low | 59.5 | Low | 71 Ų | 71 | 89.7 Ų | 89.7 | 48% | 0.48 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.1 | -71.8 | 0 | 0 | 0 | 0 | 112 | L106 H113 Q114 | L106-C110 VanDerWaalsContact O-CB 3.3Å; L106-C110 WeakPolarHBondContact O-CB 3.45Å; L106-C110 PolarHBondContact O-N 2.96Å; L106-C110 PolarHBondContact O-SG 3.42Å; C110-H113 PolarHBondContact O-N 3.49Å; C110-Q114 WeakPolarHBondContact O-CG 3.34Å; C110-Q114 PolarHBondContact O-N 3.23Å |
| 111 | N | 60.6 | Low | 59.7 | Low | 80 Ų | 80 | 92.4 Ų | 92.4 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 174.6 | -83.5 | -56.1 | 0 | 0 | 0 | 111.5 | A107 V108 I109 H113 Q114 T115 | A107-N111 WeakPolarHBondContact O-CB 3.37Å; A107-N111 PolarHBondContact O-N 2.93Å; A107-N111 PolarHBondContact O-ND2 3.4Å; V108-N111 PolarHBondContact O-N 3.34Å; I109-N111 PolarHBondContact O-N 2.69Å; N111-H113 VanDerWaalsContact C-N 3.27Å; N111-H113 PolarHBondContact O-N 2.89Å; N111-Q114 WeakPolarHBondContact O-CB 3.22Å; N111-Q114 PolarHBondContact O-N 3.42Å; N111-T115 PolarHBondContact O-N 3.23Å; N111-T115 PolarHBondContact O-OG1 3.33Å |
| 112 | R | 56.3 | Low | 59.7 | Low | 193 Ų | 193 | 94.5 Ų | 94.5 | 73% | 0.728 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.6 | -41.7 | 174.5 | -75.1 | -89.3 | -177.9 | 117.9 | -2.1 | 111.8 | V108 I109 T115 F116 | V108-R112 WeakPolarHBondContact O-CB 3.44Å; V108-R112 VanDerWaalsContact O-CG 3.28Å; V108-R112 WeakPolarHBondContact O-CG 3.37Å; V108-R112 PolarHBondContact O-N 2.84Å; I109-R112 PolarHBondContact O-N 3.49Å; R112-T115 PolarHBondContact O-N 2.9Å; R112-F116 WeakPolarHBondContact O-CB 3.35Å; R112-F116 PolarHBondContact O-N 3.43Å |
| 113 | H | 56.1 | Low | 59.8 | Low | 121 Ų | 121 | 95.4 Ų | 95.4 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.8 | -39.9 | 178.6 | -162.3 | -88.9 | 0 | 0 | 0 | 111.9 | I109 C110 N111 T115 F116 V117 | I109-H113 WeakPolarHBondContact O-CB 3.46Å; I109-H113 PolarHBondContact O-N 2.89Å; C110-H113 PolarHBondContact O-N 3.49Å; N111-H113 VanDerWaalsContact C-N 3.27Å; N111-H113 PolarHBondContact O-N 2.89Å; H113-T115 VanDerWaalsContact C-N 3.33Å; H113-T115 PolarHBondContact O-N 3.32Å; H113-F116 PolarHBondContact O-N 3.1Å; H113-V117 WeakPolarHBondContact O-CB 3.22Å; H113-V117 VanDerWaalsContact O-CG2 3.27Å; H113-V117 WeakPolarHBondContact O-CG2 3.27Å; H113-V117 PolarHBondContact O-N 3.38Å |
| 114 | Q | 55.6 | Low | 59.8 | Low | 128 Ų | 128 | 95 Ų | 95 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 173.2 | -68.1 | -111.9 | -31.9 | 0 | 0 | 111.9 | C110 N111 K118 | C110-Q114 WeakPolarHBondContact O-CG 3.34Å; C110-Q114 PolarHBondContact O-N 3.23Å; N111-Q114 WeakPolarHBondContact O-CB 3.22Å; N111-Q114 PolarHBondContact O-N 3.42Å; Q114-K118 PolarHBondContact O-N 3.28Å |
| 115 | T | 55.7 | Low | 59.6 | Low | 93 Ų | 93 | 101.7 Ų | 101.7 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.3 | -39.5 | 175.4 | -26.9 | 0 | 0 | 0 | 0 | 111.7 | N111 R112 H113 K118 A119 | N111-T115 PolarHBondContact O-N 3.23Å; N111-T115 PolarHBondContact O-OG1 3.33Å; R112-T115 PolarHBondContact O-N 2.9Å; H113-T115 VanDerWaalsContact C-N 3.33Å; H113-T115 PolarHBondContact O-N 3.32Å; T115-K118 PolarHBondContact O-N 3.37Å; T115-A119 PolarHBondContact O-N 3.45Å |
| 116 | F | 56.4 | Low | 59.6 | Low | 149 Ų | 149 | 104.3 Ų | 104.3 | 65% | 0.654 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.2 | -44.2 | 177.8 | -173.8 | -98.7 | 0 | 0 | 0 | 112.3 | R112 H113 K118 A119 S120 | R112-F116 WeakPolarHBondContact O-CB 3.35Å; R112-F116 PolarHBondContact O-N 3.43Å; H113-F116 PolarHBondContact O-N 3.1Å; F116-K118 VanDerWaalsContact C-N 3.32Å; F116-K118 PolarHBondContact O-N 2.95Å; F116-A119 PolarHBondContact O-N 3.33Å; F116-S120 WeakPolarHBondContact O-CB 3.19Å; F116-S120 PolarHBondContact O-N 3.19Å |
| 117 | V | 58.3 | Low | 59.2 | Low | 74 Ų | 74 | 106.6 Ų | 106.6 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | H113 S120 N121 | H113-V117 WeakPolarHBondContact O-CB 3.22Å; H113-V117 VanDerWaalsContact O-CG2 3.27Å; H113-V117 WeakPolarHBondContact O-CG2 3.27Å; H113-V117 PolarHBondContact O-N 3.38Å; V117-S120 PolarHBondContact O-N 3.21Å; V117-N121 WeakPolarHBondContact O-CB 3.47Å; V117-N121 PolarHBondContact O-N 3.04Å |
| 118 | K | 57.2 | Low | 59 | Low | 154 Ų | 154 | 110.6 Ų | 110.6 | 67% | 0.67 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.9 | -39.9 | 173.7 | -84.9 | -179.3 | 176.2 | 175.7 | 0 | 112.8 | Q114 T115 F116 Q122 | Q114-K118 PolarHBondContact O-N 3.28Å; T115-K118 PolarHBondContact O-N 3.37Å; F116-K118 VanDerWaalsContact C-N 3.32Å; F116-K118 PolarHBondContact O-N 2.95Å; K118-Q122 WeakPolarHBondContact O-CG 3.49Å; K118-Q122 PolarHBondContact O-N 3.48Å |
| 119 | A | 59.2 | Low | 58.8 | Low | 51 Ų | 51 | 113.7 Ų | 113.7 | 42% | 0.421 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.2 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T115 F116 N121 Q122 I123 | T115-A119 PolarHBondContact O-N 3.45Å; F116-A119 PolarHBondContact O-N 3.33Å; A119-N121 PolarHBondContact O-N 3.18Å; A119-Q122 PolarHBondContact O-N 3.39Å; A119-I123 WeakPolarHBondContact O-CG1 3.32Å; A119-I123 PolarHBondContact O-N 2.86Å; A119-I123 VanDerWaalsContact O-N 3.15Å |
| 120 | S | 58.1 | Low | 58.2 | Low | 57 Ų | 57 | 115.7 Ų | 115.7 | 40% | 0.399 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.4 | -46.6 | 175 | 152 | 0 | 0 | 0 | 0 | 111.9 | F116 V117 Q122 I123 S124 | F116-S120 WeakPolarHBondContact O-CB 3.19Å; F116-S120 PolarHBondContact O-N 3.19Å; V117-S120 PolarHBondContact O-N 3.21Å; S120-Q122 VanDerWaalsContact C-N 3.29Å; S120-Q122 PolarHBondContact O-N 3.07Å; S120-I123 PolarHBondContact O-N 3.41Å; S120-I123 VanDerWaalsContact O-N 3.12Å; S120-S124 PolarHBondContact O-N 2.92Å; S120-S124 PolarHBondContact O-OG 3.22Å |
| 121 | N | 59.5 | Low | 57.6 | Low | 102 Ų | 102 | 120.9 Ų | 120.9 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.9 | -29 | -176.5 | -150.1 | 3 | 0 | 0 | 0 | 112.5 | V117 A119 R125 | V117-N121 WeakPolarHBondContact O-CB 3.47Å; V117-N121 PolarHBondContact O-N 3.04Å; A119-N121 PolarHBondContact O-N 3.18Å; N121-R125 WeakPolarHBondContact O-CB 3.36Å; N121-R125 VanDerWaalsContact O-CG 3.29Å; N121-R125 WeakPolarHBondContact O-CG 3.29Å; N121-R125 PolarHBondContact O-N 3.39Å; N121-R125 VanDerWaalsContact O-N 3.15Å |
| 122 | Q | 60.5 | Low | 57.4 | Low | 138 Ų | 138 | 123 Ų | 123 | 65% | 0.645 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.8 | -40.3 | 170.5 | -79 | -85 | -73.1 | 0 | 0 | 112.2 | K118 A119 S120 R125 L126 | K118-Q122 WeakPolarHBondContact O-CG 3.49Å; K118-Q122 PolarHBondContact O-N 3.48Å; A119-Q122 PolarHBondContact O-N 3.39Å; S120-Q122 VanDerWaalsContact C-N 3.29Å; S120-Q122 PolarHBondContact O-N 3.07Å; Q122-R125 PolarHBondContact O-N 3.33Å; Q122-L126 PolarHBondContact O-N 3.18Å; Q122-L126 VanDerWaalsContact O-N 3.14Å |
| 123 | I | 63.4 | Low | 57.5 | Low | 106 Ų | 106 | 119.3 Ų | 119.3 | 54% | 0.544 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.7 | -43.2 | 178 | -66.6 | 163.1 | 0 | 0 | 0 | 110.9 | A119 S120 R125 L126 Q127 | A119-I123 WeakPolarHBondContact O-CG1 3.32Å; A119-I123 PolarHBondContact O-N 2.86Å; A119-I123 VanDerWaalsContact O-N 3.15Å; S120-I123 PolarHBondContact O-N 3.41Å; S120-I123 VanDerWaalsContact O-N 3.12Å; I123-R125 VanDerWaalsContact C-N 3.31Å; I123-R125 PolarHBondContact O-N 2.82Å; I123-L126 PolarHBondContact O-N 3.43Å; I123-Q127 PolarHBondContact O-N 3.07Å; I123-Q127 VanDerWaalsContact O-N 3.13Å |
| 124 | S | 57.8 | Low | 57.5 | Low | 65 Ų | 65 | 119.2 Ų | 119.2 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.9 | -34.8 | 175.8 | -63 | 0 | 0 | 0 | 0 | 112.9 | S120 L128 | S120-S124 PolarHBondContact O-N 2.92Å; S120-S124 PolarHBondContact O-OG 3.22Å; S124-L128 PolarHBondContact O-N 3.5Å |
| 125 | R | 59 | Low | 57.7 | Low | 168 Ų | 168 | 118.6 Ų | 118.6 | 63% | 0.634 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65 | -39.1 | 173.5 | -82.2 | -85.8 | -178.2 | -142.7 | -0.9 | 112.5 | N121 Q122 I123 L128 I129 | N121-R125 WeakPolarHBondContact O-CB 3.36Å; N121-R125 VanDerWaalsContact O-CG 3.29Å; N121-R125 WeakPolarHBondContact O-CG 3.29Å; N121-R125 PolarHBondContact O-N 3.39Å; N121-R125 VanDerWaalsContact O-N 3.15Å; Q122-R125 PolarHBondContact O-N 3.33Å; I123-R125 VanDerWaalsContact C-N 3.31Å; I123-R125 PolarHBondContact O-N 2.82Å; R125-L128 PolarHBondContact O-N 3.28Å; R125-I129 WeakPolarHBondContact O-CD1 3.48Å; R125-I129 WeakPolarHBondContact O-CG1 3.46Å |
| 126 | L | 60.9 | Low | 57.8 | Low | 116 Ų | 116 | 120.3 Ų | 120.3 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.2 | -42.1 | 177 | -77.2 | 163.7 | 0 | 0 | 0 | 111.7 | Q122 I123 L128 I129 | Q122-L126 PolarHBondContact O-N 3.18Å; Q122-L126 VanDerWaalsContact O-N 3.14Å; I123-L126 PolarHBondContact O-N 3.43Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.09Å; L126-I129 PolarHBondContact O-N 3.24Å |
| 127 | Q | 57.5 | Low | 57.9 | Low | 146 Ų | 146 | 118.3 Ų | 118.3 | 68% | 0.682 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.2 | -27.4 | 177.6 | -69.6 | -139.1 | -76 | 0 | 0 | 114.1 | I123 I129 T131 | I123-Q127 PolarHBondContact O-N 3.07Å; I123-Q127 VanDerWaalsContact O-N 3.13Å; Q127-I129 VanDerWaalsContact C-N 3.3Å; Q127-T131 PolarHBondContact O-OG1 3.46Å |
| 128 | L | 59.7 | Low | 57.8 | Low | 128 Ų | 128 | 121.5 Ų | 121.5 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -12.2 | 179.1 | -127.3 | 152.8 | 0 | 0 | 0 | 113.4 | S124 R125 L126 | S124-L128 PolarHBondContact O-N 3.5Å; R125-L128 PolarHBondContact O-N 3.28Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-L128 PolarHBondContact O-N 3.09Å |
| 129 | I | 58 | Low | 57.9 | Low | 136 Ų | 136 | 119 Ų | 119 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -20.7 | 177.6 | -66.8 | 163.2 | 0 | 0 | 0 | 111 | R125 L126 Q127 T131 | R125-I129 WeakPolarHBondContact O-CD1 3.48Å; R125-I129 WeakPolarHBondContact O-CG1 3.46Å; L126-I129 PolarHBondContact O-N 3.24Å; Q127-I129 VanDerWaalsContact C-N 3.3Å; I129-T131 VanDerWaalsContact C-N 3.35Å |
| 130 | D | 52 | Low | 57.8 | Low | 154 Ų | 154 | 124.7 Ų | 124.7 | 82% | 0.824 | 65% | 0.651 | S | S | * | * | trans | -88.5 | 4.3 | 178.5 | -112.7 | -47 | 0 | 0 | 0 | 113.6 | ||||
| 131 | T | 46.9 | Very low | 57.7 | Low | 180 Ų | 180 | 130.8 Ų | 130.8 | 100% | 1.104 | 67% | 0.673 | S | S | * | * | trans | -113.8 | 0 | 174.7 | -44.7 | 0 | 0 | 0 | 0 | 110.1 | Q127 I129 | Q127-T131 PolarHBondContact O-OG1 3.46Å; I129-T131 VanDerWaalsContact C-N 3.35Å |
Retrieved 131 of 131 residues in 102.6 ms
(Link to these results)