| 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 | S | 46 | Very low | 43.1 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 97% | 0.972 | 73% | 0.729 | S | S | * | * | 0 | 16.1 | 0 | -157.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 2 | V | 37.7 | Very low | 43.7 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 70% | 0.697 | 72% | 0.719 | S | S | * | * | trans | -97.9 | -30.2 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | R4 F5 | V2-R4 PolarHBondContact O-N 3.1Å; V2-F5 PolarHBondContact O-N 2.75Å | ||
| 3 | E | 37.7 | Very low | 44.3 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 73% | 0.729 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -59.2 | -33.5 | 178.4 | -63 | 126.8 | 161.3 | 0 | 0 | 112.9 | F5 V6 E7 | E3-F5 PolarHBondContact O-N 3.21Å; E3-F5 VanDerWaalsContact O-N 3.1Å; E3-V6 PolarHBondContact O-N 3.18Å; E3-V6 VanDerWaalsContact O-N 3.12Å; E3-E7 PolarHBondContact O-N 3.12Å |
| 4 | R | 43.2 | Very low | 44.9 | Very low | 220 Ų | 220 | 137.2 Ų | 137.2 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -64.6 | -8.7 | 174 | -95.5 | -168.3 | 179.4 | -179.3 | 1.1 | 115.5 | V2 | V2-R4 PolarHBondContact O-N 3.1Å |
| 5 | F | 43.5 | Very low | 45.6 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -99.8 | -22.2 | 173 | -100.3 | -83.8 | 0 | 0 | 0 | 113.3 | V2 E3 | V2-F5 PolarHBondContact O-N 2.75Å; E3-F5 PolarHBondContact O-N 3.21Å; E3-F5 VanDerWaalsContact O-N 3.1Å |
| 6 | V | 46.5 | Very low | 46.4 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.8 | -35.4 | 175 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | E3 Q8 | E3-V6 PolarHBondContact O-N 3.18Å; E3-V6 VanDerWaalsContact O-N 3.12Å; V6-Q8 PolarHBondContact O-N 3.28Å |
| 7 | E | 42.5 | Very low | 47.5 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -101.7 | 68.7 | -178.6 | -157.3 | 160.8 | -141.9 | 0 | 0 | 111.7 | E3 | E3-E7 PolarHBondContact O-N 3.12Š| ||
| 8 | Q | 40.8 | Very low | 48.3 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 61% | 0.612 | 66% | 0.661 | S | S | * | * | trans | -91.2 | 110.6 | 161.4 | -70.7 | -158.1 | 0.1 | 0 | 0 | 109.4 | V6 E10 | V6-Q8 PolarHBondContact O-N 3.28Å; Q8-E10 PolarHBondContact O-N 2.97Å | ||
| 9 | P | 43.8 | Very low | 49.1 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | trans | -86.6 | 105.6 | -161.2 | 32.1 | -35.2 | 0 | 0 | 0 | 112.5 | V11 | P9-V11 WeakPolarHBondContact O-CG2 3.07Å; P9-V11 PolarHBondContact O-N 3.44Å | ||
| 10 | E | 45.6 | Very low | 49.6 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 61.3 | 1.4 | 154.5 | -145.4 | -178.6 | -159.5 | 0 | 0 | 117.6 | Q8 Q12 | Q8-E10 PolarHBondContact O-N 2.97Å; E10-Q12 PolarHBondContact O-N 3.45Å |
| 11 | V | 47 | Very low | 50.4 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 58% | 0.582 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.3 | -34.3 | -169.6 | -160.2 | 0 | 0 | 0 | 0 | 112.6 | P9 G13 R14 L15 | P9-V11 WeakPolarHBondContact O-CG2 3.07Å; P9-V11 PolarHBondContact O-N 3.44Å; V11-G13 PolarHBondContact O-N 3.4Å; V11-R14 PolarHBondContact O-N 2.66Å; V11-L15 WeakPolarHBondContact O-CB 3.37Å; V11-L15 PolarHBondContact O-N 2.83Å |
| 12 | Q | 50.3 | Low | 51 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.4 | -39.7 | -176 | -80.8 | 164.7 | -59.6 | 0 | 0 | 112.9 | E10 L16 | E10-Q12 PolarHBondContact O-N 3.45Å; Q12-L16 PolarHBondContact O-N 3.1Å |
| 13 | G | 51.7 | Low | 52.3 | Low | 49 Ų | 49 | 113.8 Ų | 113.8 | 51% | 0.505 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.1 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V11 L15 L16 V17 | V11-G13 PolarHBondContact O-N 3.4Å; G13-L15 PolarHBondContact O-N 3.07Å; G13-L16 PolarHBondContact O-N 3.23Å; G13-V17 WeakPolarHBondContact O-CG2 3.41Å; G13-V17 PolarHBondContact O-N 3.25Å; G13-V17 VanDerWaalsContact O-N 3.1Å |
| 14 | R | 52.2 | Low | 53.6 | Low | 181 Ų | 181 | 111.9 Ų | 111.9 | 68% | 0.683 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70 | -31.4 | -178.8 | -63.1 | -179.4 | 70.7 | -163 | 2 | 113 | V11 G18 | V11-R14 PolarHBondContact O-N 2.66Å; R14-G18 PolarHBondContact O-N 3.29Å |
| 15 | L | 55.5 | Low | 54.4 | Low | 112 Ų | 112 | 107.1 Ų | 107.1 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.7 | -40.1 | 175 | -174.6 | 65.3 | 0 | 0 | 0 | 112 | V11 G13 G18 T19 | V11-L15 WeakPolarHBondContact O-CB 3.37Å; V11-L15 PolarHBondContact O-N 2.83Å; G13-L15 PolarHBondContact O-N 3.07Å; L15-G18 PolarHBondContact O-N 2.83Å; L15-T19 WeakPolarHBondContact O-CB 3.33Å; L15-T19 PolarHBondContact O-N 3.44Å; L15-T19 PolarHBondContact O-OG1 3.43Å |
| 16 | L | 58 | Low | 55.2 | Low | 110 Ų | 110 | 102.6 Ų | 102.6 | 58% | 0.576 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67 | -45.3 | 176.4 | -171.2 | 148.1 | 0 | 0 | 0 | 111.2 | Q12 G13 T19 F20 | Q12-L16 PolarHBondContact O-N 3.1Å; G13-L16 PolarHBondContact O-N 3.23Å; L16-T19 PolarHBondContact O-N 2.85Å; L16-F20 PolarHBondContact O-N 3.35Å |
| 17 | V | 65.2 | Low | 55.7 | Low | 88 Ų | 88 | 99.5 Ų | 99.5 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 173 | 173.2 | 0 | 0 | 0 | 0 | 111 | G13 T19 F20 V21 | G13-V17 WeakPolarHBondContact O-CG2 3.41Å; G13-V17 PolarHBondContact O-N 3.25Å; G13-V17 VanDerWaalsContact O-N 3.1Å; V17-T19 VanDerWaalsContact C-N 3.29Å; V17-T19 PolarHBondContact O-N 3.41Å; V17-F20 PolarHBondContact O-N 3.5Å; V17-V21 HydrophobicContact CG1-CG2 4.24Å; V17-V21 WeakPolarHBondContact O-CB 3.3Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 2.96Å |
| 18 | G | 62 | Low | 56.4 | Low | 38 Ų | 38 | 95.8 Ų | 95.8 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | R14 L15 A22 | R14-G18 PolarHBondContact O-N 3.29Å; L15-G18 PolarHBondContact O-N 2.83Å; G18-A22 WeakPolarHBondContact O-CB 3.3Å; G18-A22 PolarHBondContact O-N 2.76Å |
| 19 | T | 63.3 | Low | 57.1 | Low | 60 Ų | 60 | 93.4 Ų | 93.4 | 37% | 0.368 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 175.1 | -56 | 0 | 0 | 0 | 0 | 111.5 | L15 L16 V17 L23 | L15-T19 WeakPolarHBondContact O-CB 3.33Å; L15-T19 PolarHBondContact O-N 3.44Å; L15-T19 PolarHBondContact O-OG1 3.43Å; L16-T19 PolarHBondContact O-N 2.85Å; V17-T19 VanDerWaalsContact C-N 3.29Å; V17-T19 PolarHBondContact O-N 3.41Å; T19-L23 VanDerWaalsContact O-CB 3.22Å; T19-L23 WeakPolarHBondContact O-CB 3.47Å; T19-L23 PolarHBondContact O-N 3.12Å |
| 20 | F | 59.6 | Low | 57.5 | Low | 153 Ų | 153 | 91.7 Ų | 91.7 | 67% | 0.671 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -42.6 | 177.5 | -162.4 | -90.1 | 0 | 0 | 0 | 112.2 | L16 V17 L23 F24 | L16-F20 PolarHBondContact O-N 3.35Å; V17-F20 PolarHBondContact O-N 3.5Å; F20-L23 PolarHBondContact O-N 3.39Å; F20-F24 WeakPolarHBondContact O-CB 3.42Å; F20-F24 PolarHBondContact O-N 2.95Å |
| 21 | V | 66.5 | Low | 57.9 | Low | 68 Ų | 68 | 88.4 Ų | 88.4 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111 | V17 L23 F24 F25 | V17-V21 HydrophobicContact CG1-CG2 4.24Å; V17-V21 WeakPolarHBondContact O-CB 3.3Å; V17-V21 VanDerWaalsContact O-CG2 3.31Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 2.96Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 3.44Å; V21-F24 PolarHBondContact O-N 3.48Å; V21-F25 HydrophobicContact CG1-CD2 3.69Å; V21-F25 HydrophobicContact CG1-CE2 3.71Å; V21-F25 VanDerWaalsContact O-CD2 3.31Å; V21-F25 WeakPolarHBondContact O-CD2 3.32Å; V21-F25 PolarHBondContact O-N 3.45Å |
| 22 | A | 58.6 | Low | 58.2 | Low | 59 Ų | 59 | 87.9 Ų | 87.9 | 49% | 0.488 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | G18 F25 N26 | G18-A22 WeakPolarHBondContact O-CB 3.3Å; G18-A22 PolarHBondContact O-N 2.76Å; A22-F25 PolarHBondContact O-N 3.15Å; A22-N26 WeakPolarHBondContact O-CB 3.37Å; A22-N26 PolarHBondContact O-N 2.86Å |
| 23 | L | 64.5 | Low | 58.3 | Low | 34 Ų | 34 | 85.2 Ų | 85.2 | 18% | 0.178 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 175 | -173.6 | 148 | 0 | 0 | 0 | 111.7 | T19 F20 V21 N26 L27 F86 L87 | T19-L23 VanDerWaalsContact O-CB 3.22Å; T19-L23 WeakPolarHBondContact O-CB 3.47Å; T19-L23 PolarHBondContact O-N 3.12Å; F20-L23 PolarHBondContact O-N 3.39Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 3.44Å; L23-N26 PolarHBondContact O-N 3.23Å; L23-L27 VanDerWaalsContact O-CB 3.23Å; L23-L27 WeakPolarHBondContact O-CB 3.42Å; L23-L27 PolarHBondContact O-N 3.43Å; L23-F86 HydrophobicContact CD1-CD1 4.29Å; L23-F86 HydrophobicContact CD1-CE1 4.49Å; L23-L87 HydrophobicContact CD1-CD2 3.53Å; L23-L87 HydrophobicContact CD1-CG 4.12Å |
| 24 | F | 65.6 | Low | 58.1 | Low | 117 Ų | 117 | 93.4 Ų | 93.4 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 175.5 | -178.3 | -95.2 | 0 | 0 | 0 | 112.2 | F20 V21 L27 L28 | F20-F24 WeakPolarHBondContact O-CB 3.42Å; F20-F24 PolarHBondContact O-N 2.95Å; V21-F24 PolarHBondContact O-N 3.48Å; F24-L27 PolarHBondContact O-N 2.88Å; F24-L28 WeakPolarHBondContact O-CB 3.31Å; F24-L28 PolarHBondContact O-N 3.49Å |
| 25 | F | 60.4 | Low | 58 | Low | 119 Ų | 119 | 88.8 Ų | 88.8 | 52% | 0.522 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.1 | -34.2 | 177.8 | -79.9 | -69.7 | 0 | 0 | 0 | 113.2 | V21 A22 L28 T29 | V21-F25 HydrophobicContact CG1-CD2 3.69Å; V21-F25 HydrophobicContact CG1-CE2 3.71Å; V21-F25 VanDerWaalsContact O-CD2 3.31Å; V21-F25 WeakPolarHBondContact O-CD2 3.32Å; V21-F25 PolarHBondContact O-N 3.45Å; A22-F25 PolarHBondContact O-N 3.15Å; F25-L28 HydrophobicContact CD1-CD2 4.42Å; F25-L28 PolarHBondContact O-N 3.46Å; F25-T29 WeakPolarHBondContact O-CB 3.46Å; F25-T29 PolarHBondContact O-N 3.43Å; F25-T29 PolarHBondContact O-OG1 3.36Å |
| 26 | N | 59.3 | Low | 57.6 | Low | 71 Ų | 71 | 92 Ų | 92 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 172.6 | -172.6 | 26.7 | 0 | 0 | 0 | 110.9 | A22 L23 L28 T29 L30 | A22-N26 WeakPolarHBondContact O-CB 3.37Å; A22-N26 PolarHBondContact O-N 2.86Å; L23-N26 PolarHBondContact O-N 3.23Å; N26-L28 PolarHBondContact O-N 3.43Å; N26-T29 PolarHBondContact O-N 2.88Å; N26-L30 WeakPolarHBondContact O-CB 3.17Å; N26-L30 WeakPolarHBondContact O-CG 3.41Å; N26-L30 PolarHBondContact O-N 3Å; N26-L30 WeakPolarHBondContact OD1-CD1 3.37Å |
| 27 | L | 58 | Low | 57 | Low | 62 Ų | 62 | 89.1 Ų | 89.1 | 33% | 0.325 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 174.2 | -178.7 | 64.5 | 0 | 0 | 0 | 111.3 | L23 F24 T29 L30 L31 | L23-L27 VanDerWaalsContact O-CB 3.23Å; L23-L27 WeakPolarHBondContact O-CB 3.42Å; L23-L27 PolarHBondContact O-N 3.43Å; F24-L27 PolarHBondContact O-N 2.88Å; L27-T29 PolarHBondContact O-N 3.18Å; L27-L30 PolarHBondContact O-N 3.26Å; L27-L31 HydrophobicContact CD1-CD1 4.1Å; L27-L31 HydrophobicContact CD1-CG 4.26Å; L27-L31 HydrophobicContact CG-CD1 3.91Å; L27-L31 HydrophobicContact CG-CG 4.46Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.31Å; L27-L31 PolarHBondContact O-N 2.86Å |
| 28 | L | 57 | Low | 56.2 | Low | 82 Ų | 82 | 88 Ų | 88 | 43% | 0.429 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 177.6 | -174.1 | 64.7 | 0 | 0 | 0 | 112.2 | F24 F25 N26 S32 | F24-L28 WeakPolarHBondContact O-CB 3.31Å; F24-L28 PolarHBondContact O-N 3.49Å; F25-L28 HydrophobicContact CD1-CD2 4.42Å; F25-L28 PolarHBondContact O-N 3.46Å; N26-L28 PolarHBondContact O-N 3.43Å; L28-S32 WeakPolarHBondContact O-CB 3.19Å; L28-S32 PolarHBondContact O-N 2.91Å; L28-S32 PolarHBondContact O-OG 2.83Å |
| 29 | T | 54.4 | Low | 55.7 | Low | 82 Ų | 82 | 88.2 Ų | 88.2 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | F25 N26 L27 L31 S32 V33 | F25-T29 WeakPolarHBondContact O-CB 3.46Å; F25-T29 PolarHBondContact O-N 3.43Å; F25-T29 PolarHBondContact O-OG1 3.36Å; N26-T29 PolarHBondContact O-N 2.88Å; L27-T29 PolarHBondContact O-N 3.18Å; T29-L31 PolarHBondContact O-N 2.74Å; T29-S32 WeakPolarHBondContact O-CB 3.29Å; T29-S32 PolarHBondContact O-N 3.32Å; T29-S32 VanDerWaalsContact O-N 3.11Å; T29-V33 WeakPolarHBondContact O-CG2 3.29Å; T29-V33 PolarHBondContact O-N 3.46Å; T29-V33 VanDerWaalsContact O-N 3.13Å |
| 30 | L | 52.5 | Low | 55.1 | Low | 61 Ų | 61 | 93.2 Ų | 93.2 | 32% | 0.319 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.6 | -31.7 | -179.9 | -69 | 169.3 | 0 | 0 | 0 | 113 | N26 L27 H83 | N26-L30 WeakPolarHBondContact O-CB 3.17Å; N26-L30 WeakPolarHBondContact O-CG 3.41Å; N26-L30 PolarHBondContact O-N 3Å; N26-L30 WeakPolarHBondContact OD1-CD1 3.37Å; L27-L30 PolarHBondContact O-N 3.26Å; L30-H83 VanDerWaalsContact CD1-CE1 3.49Å; L30-H83 WeakPolarHBondContact CD1-CE1 3.35Å |
| 31 | L | 55 | Low | 54.6 | Low | 85 Ų | 85 | 88.4 Ų | 88.4 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.2 | -29 | 170.4 | -71.3 | 171.9 | 0 | 0 | 0 | 112.7 | L27 T29 L76 | L27-L31 HydrophobicContact CD1-CD1 4.1Å; L27-L31 HydrophobicContact CD1-CG 4.26Å; L27-L31 HydrophobicContact CG-CD1 3.91Å; L27-L31 HydrophobicContact CG-CG 4.46Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.31Å; L27-L31 PolarHBondContact O-N 2.86Å; T29-L31 PolarHBondContact O-N 2.74Å; L31-L76 HydrophobicContact CD2-CD1 3.84Å; L31-L76 HydrophobicContact CD2-CG 4.49Å |
| 32 | S | 52.9 | Low | 53.9 | Low | 85 Ų | 85 | 86.2 Ų | 86.2 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -76.5 | -30.2 | 178.8 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | L28 T29 R34 | L28-S32 WeakPolarHBondContact O-CB 3.19Å; L28-S32 PolarHBondContact O-N 2.91Å; L28-S32 PolarHBondContact O-OG 2.83Å; T29-S32 WeakPolarHBondContact O-CB 3.29Å; T29-S32 PolarHBondContact O-N 3.32Å; T29-S32 VanDerWaalsContact O-N 3.11Å; S32-R34 PolarHBondContact O-N 3.4Å |
| 33 | V | 51.5 | Low | 53.5 | Low | 74 Ų | 74 | 89.8 Ų | 89.8 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | trans | -82.9 | 84.1 | 179.8 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | T29 N35 | T29-V33 WeakPolarHBondContact O-CG2 3.29Å; T29-V33 PolarHBondContact O-N 3.46Å; T29-V33 VanDerWaalsContact O-N 3.13Å; V33-N35 VanDerWaalsContact C-N 3.31Å; V33-N35 VanDerWaalsContact CG1-ND2 3.33Å; V33-N35 WeakPolarHBondContact CG1-ND2 3.33Å; V33-N35 PolarHBondContact O-N 3.41Å | ||
| 34 | R | 47.4 | Very low | 52.4 | Low | 221 Ų | 221 | 94.7 Ų | 94.7 | 83% | 0.834 | 48% | 0.476 | S | S | * | . | trans | -68.4 | 78.8 | 172.2 | -84.8 | 178.4 | 61.7 | 169 | -0.6 | 112.9 | S32 K36 | S32-R34 PolarHBondContact O-N 3.4Å; R34-K36 PolarHBondContact O-N 3.09Å | ||
| 35 | N | 51.5 | Low | 51.7 | Low | 84 Ų | 84 | 93.6 Ų | 93.6 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | trans | -84.1 | 103.4 | 174.4 | -74.9 | -30.5 | 0 | 0 | 0 | 112.6 | V33 P37 F38 | V33-N35 VanDerWaalsContact C-N 3.31Å; V33-N35 VanDerWaalsContact CG1-ND2 3.33Å; V33-N35 WeakPolarHBondContact CG1-ND2 3.33Å; V33-N35 PolarHBondContact O-N 3.41Å; N35-P37 VanDerWaalsContact C-N 3.32Å; N35-P37 HydrophobicContact CB-CG 4.33Å; N35-F38 HydrophobicContact CB-CD2 3.4Å; N35-F38 VanDerWaalsContact CB-CD2 3.4Å; N35-F38 HydrophobicContact CB-CE2 3.7Å; N35-F38 PolarHBondContact O-N 2.94Å | ||
| 36 | K | 47.3 | Very low | 51.1 | Low | 178 Ų | 178 | 97.2 Ų | 97.2 | 77% | 0.774 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | -33.3 | 170.7 | -64.6 | 178 | -178.1 | 175.2 | 0 | 116.2 | R34 F38 S39 | R34-K36 PolarHBondContact O-N 3.09Å; K36-F38 VanDerWaalsContact C-N 3.28Å; K36-F38 PolarHBondContact O-N 2.91Å; K36-S39 PolarHBondContact O-OG 2.89Å |
| 37 | P | 45.2 | Very low | 50.9 | Low | 50 Ų | 50 | 96.2 Ų | 96.2 | 33% | 0.325 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.2 | -19.5 | 178.6 | 22.1 | -33.8 | 0 | 0 | 0 | 115.2 | N35 F171 | N35-P37 VanDerWaalsContact C-N 3.32Å; N35-P37 HydrophobicContact CB-CG 4.33Å; P37-F171 HydrophobicContact CB-CB 3.79Å; P37-F171 HydrophobicContact CB-CD2 4.01Å; P37-F171 HydrophobicContact CB-CG 4.11Å; P37-F171 HydrophobicContact CG-CD2 3.96Å |
| 38 | F | 47.3 | Very low | 51.2 | Low | 64 Ų | 64 | 97.4 Ų | 97.4 | 28% | 0.281 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -79.7 | -22.2 | -175.4 | -73.3 | -97.6 | 0 | 0 | 0 | 114 | N35 K36 V41 S42 F79 F171 | N35-F38 HydrophobicContact CB-CD2 3.4Å; N35-F38 VanDerWaalsContact CB-CD2 3.4Å; N35-F38 HydrophobicContact CB-CE2 3.7Å; N35-F38 PolarHBondContact O-N 2.94Å; K36-F38 VanDerWaalsContact C-N 3.28Å; K36-F38 PolarHBondContact O-N 2.91Å; F38-V41 PolarHBondContact O-N 2.95Å; F38-S42 PolarHBondContact O-N 3.35Å; F38-S42 PolarHBondContact O-OG 2.88Å; F38-S42 VanDerWaalsContact O-OG 3.12Å; F38-F79 HydrophobicContact CD1-CZ 4.39Å; F38-F79 HydrophobicContact CG-CZ 4.49Å; F38-F171 HydrophobicContact CD2-CE2 4.4Å; F38-F171 HydrophobicContact CE1-CE1 4.24Å; F38-F171 HydrophobicContact CE1-CE2 4.23Å; F38-F171 AromaticContact CE1-CZ 3.68Å; F38-F171 HydrophobicContact CE1-CZ 3.68Å; F38-F171 HydrophobicContact CE2-CD2 4.27Å; F38-F171 AromaticContact CE2-CE2 3.52Å; F38-F171 HydrophobicContact CE2-CE2 3.52Å; F38-F171 AromaticContact CE2-CZ 3.86Å; F38-F171 HydrophobicContact CE2-CZ 3.86Å; F38-F171 HydrophobicContact CZ-CD2 4.48Å; F38-F171 HydrophobicContact CZ-CE1 4.22Å; F38-F171 AromaticContact CZ-CE2 3.43Å; F38-F171 HydrophobicContact CZ-CE2 3.43Å; F38-F171 VanDerWaalsContact CZ-CE2 3.43Å; F38-F171 AromaticContact CZ-CZ 3.27Å; F38-F171 HydrophobicContact CZ-CZ 3.27Å |
| 39 | S | 51.5 | Low | 51.4 | Low | 43 Ų | 43 | 98.7 Ų | 98.7 | 30% | 0.301 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.2 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | K36 V41 S42 D43 | K36-S39 PolarHBondContact O-OG 2.89Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 3.27Å; S39-S42 WeakPolarHBondContact CA-OG 3.47Å; S39-S42 PolarHBondContact O-N 2.85Å; S39-S42 PolarHBondContact O-OG 3.46Å; S39-D43 PolarHBondContact O-N 3.42Å; S39-D43 VanDerWaalsContact O-N 3.11Å |
| 40 | Y | 50.3 | Low | 52.1 | Low | 166 Ų | 166 | 102.4 Ų | 102.4 | 65% | 0.651 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.8 | -37.7 | 175.8 | -68.2 | -79.1 | 0 | 0 | 0 | 112.6 | S42 D44 | Y40-S42 VanDerWaalsContact C-N 3.33Å; Y40-S42 PolarHBondContact O-N 2.71Å; Y40-D44 PolarHBondContact O-N 3.4Å; Y40-D44 VanDerWaalsContact O-N 3.15Å |
| 41 | V | 49.5 | Very low | 52.4 | Low | 52 Ų | 52 | 102 Ų | 102 | 32% | 0.315 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.6 | -30.3 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | F38 S39 I45 | F38-V41 PolarHBondContact O-N 2.95Å; S39-V41 VanDerWaalsContact C-N 3.28Å; S39-V41 PolarHBondContact O-N 3.27Å; V41-I45 HydrophobicContact CB-CD1 4.4Å; V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 WeakPolarHBondContact O-CG1 3.35Å |
| 42 | S | 52.6 | Low | 52.8 | Low | 21 Ų | 21 | 103.1 Ų | 103.1 | 15% | 0.147 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -86.9 | -20.5 | -178.8 | 46 | 0 | 0 | 0 | 0 | 115.3 | F38 S39 Y40 | F38-S42 PolarHBondContact O-N 3.35Å; F38-S42 PolarHBondContact O-OG 2.88Å; F38-S42 VanDerWaalsContact O-OG 3.12Å; S39-S42 WeakPolarHBondContact CA-OG 3.47Å; S39-S42 PolarHBondContact O-N 2.85Å; S39-S42 PolarHBondContact O-OG 3.46Å; Y40-S42 VanDerWaalsContact C-N 3.33Å; Y40-S42 PolarHBondContact O-N 2.71Å |
| 43 | D | 49.9 | Very low | 53.6 | Low | 134 Ų | 134 | 105.8 Ų | 105.8 | 72% | 0.717 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -101 | -40.9 | -177.9 | -65.5 | -31 | 0 | 0 | 0 | 113.2 | S39 | S39-D43 PolarHBondContact O-N 3.42Å; S39-D43 VanDerWaalsContact O-N 3.11Å |
| 44 | D | 42.1 | Very low | 54 | Low | 137 Ų | 137 | 108.6 Ų | 108.6 | 73% | 0.733 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -99.7 | -15.5 | -172.6 | -96.8 | -33.1 | 0 | 0 | 0 | 115.6 | Y40 K46 | Y40-D44 PolarHBondContact O-N 3.4Å; Y40-D44 VanDerWaalsContact O-N 3.15Å; D44-K46 PolarHBondContact O-N 3.49Å |
| 45 | I | 49.3 | Very low | 54.7 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -76.3 | 113.7 | 174.3 | -59.1 | -171.2 | 0 | 0 | 0 | 108.9 | V41 M47 | V41-I45 HydrophobicContact CB-CD1 4.4Å; V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 WeakPolarHBondContact O-CG1 3.35Å; I45-M47 PolarHBondContact O-N 2.95Å |
| 46 | K | 48.2 | Very low | 55.4 | Low | 195 Ų | 195 | 102.3 Ų | 102.3 | 85% | 0.848 | 49% | 0.492 | S | S | * | . | trans | -54.6 | 84 | 168.5 | -65.9 | -179.7 | 179.4 | -179 | 0 | 110.8 | D44 | D44-K46 PolarHBondContact O-N 3.49Š| ||
| 47 | M | 56.5 | Low | 56.3 | Low | 50 Ų | 50 | 98 Ų | 98 | 25% | 0.246 | 48% | 0.483 | C | S | . | . | trans | -68.6 | 146.3 | 172.7 | -65.2 | -151.2 | 174.6 | 0 | 0 | 110 | I45 V51 R55 | I45-M47 PolarHBondContact O-N 2.95Å; M47-V51 HydrophobicContact SD-CG1 4Å; M47-R55 PolarHBondContact SD-NH2 3.5Å | ||
| 48 | P | 62.8 | Low | 57.2 | Low | 87 Ų | 87 | 98.1 Ų | 98.1 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | trans | -52.6 | 142.3 | 173.2 | -24.7 | 34 | 0 | 0 | 0 | 111.1 | E50 V51 R52 | P48-E50 PolarHBondContact O-N 2.87Å; P48-V51 HydrophobicContact CB-CG2 4.27Å; P48-V51 HydrophobicContact CG-CG2 4.39Å; P48-V51 WeakPolarHBondContact O-CB 3.16Å; P48-V51 PolarHBondContact O-N 3.43Å; P48-R52 PolarHBondContact O-N 3.48Å | ||
| 49 | D | 62.7 | Low | 58 | Low | 109 Ų | 109 | 98 Ų | 98 | 58% | 0.583 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.1 | -28.5 | -171.2 | -69.8 | -53.7 | 0 | 0 | 0 | 113.3 | R52 E53 | D49-R52 VanDerWaalsContact O-CB 3.29Å; D49-R52 WeakPolarHBondContact O-CB 3.23Å; D49-R52 PolarHBondContact O-N 2.86Å; D49-R52 IonicContact OD1-CZ 3.07Å; D49-R52 IonicContact OD1-NE 2.96Å; D49-R52 PolarHBondContact OD1-NE 2.89Å; D49-R52 IonicContact OD1-NH2 2.78Å; D49-R52 PolarHBondContact OD1-NH2 2.89Å; D49-E53 WeakPolarHBondContact O-CB 3.22Å; D49-E53 PolarHBondContact O-N 3.4Å |
| 50 | E | 67.3 | Low | 58.7 | Low | 160 Ų | 160 | 100 Ų | 100 | 75% | 0.748 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59 | -45.5 | 169.4 | -173.3 | 178.1 | -168.7 | 0 | 0 | 112.5 | P48 R52 E53 W54 | P48-E50 PolarHBondContact O-N 2.87Å; E50-R52 VanDerWaalsContact C-N 3.3Å; E50-R52 PolarHBondContact O-N 2.92Å; E50-E53 PolarHBondContact O-N 2.72Å; E50-W54 PolarHBondContact O-N 2.97Å |
| 51 | V | 60.8 | Low | 59.5 | Low | 52 Ų | 52 | 94.2 Ų | 94.2 | 32% | 0.315 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.5 | -32.9 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | M47 P48 R55 | M47-V51 HydrophobicContact SD-CG1 4Å; P48-V51 HydrophobicContact CB-CG2 4.27Å; P48-V51 HydrophobicContact CG-CG2 4.39Å; P48-V51 WeakPolarHBondContact O-CB 3.16Å; P48-V51 PolarHBondContact O-N 3.43Å; V51-R55 WeakPolarHBondContact O-CB 3.44Å; V51-R55 PolarHBondContact O-N 3.27Å; V51-R55 VanDerWaalsContact O-N 3.08Å |
| 52 | R | 62.8 | Low | 59.9 | Low | 108 Ų | 108 | 94.6 Ų | 94.6 | 41% | 0.408 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 174.2 | -165.4 | -157.7 | -54.1 | -85.2 | 0.8 | 111.2 | P48 D49 E50 K56 | P48-R52 PolarHBondContact O-N 3.48Å; D49-R52 VanDerWaalsContact O-CB 3.29Å; D49-R52 WeakPolarHBondContact O-CB 3.23Å; D49-R52 PolarHBondContact O-N 2.86Å; D49-R52 IonicContact OD1-CZ 3.07Å; D49-R52 IonicContact OD1-NE 2.96Å; D49-R52 PolarHBondContact OD1-NE 2.89Å; D49-R52 IonicContact OD1-NH2 2.78Å; D49-R52 PolarHBondContact OD1-NH2 2.89Å; E50-R52 VanDerWaalsContact C-N 3.3Å; E50-R52 PolarHBondContact O-N 2.92Å; R52-K56 WeakPolarHBondContact O-CG 3.47Å; R52-K56 PolarHBondContact O-N 2.98Å; R52-K56 VanDerWaalsContact O-N 3.15Å |
| 53 | E | 69.1 | Low | 60.5 | Low | 141 Ų | 141 | 96.2 Ų | 96.2 | 66% | 0.659 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.5 | -46.9 | 179 | -174.7 | 161.9 | -156.9 | 0 | 0 | 112 | D49 E50 R55 K56 C57 | D49-E53 WeakPolarHBondContact O-CB 3.22Å; D49-E53 PolarHBondContact O-N 3.4Å; E50-E53 PolarHBondContact O-N 2.72Å; E53-R55 VanDerWaalsContact C-N 3.29Å; E53-R55 PolarHBondContact O-N 2.71Å; E53-K56 WeakPolarHBondContact O-CB 3.27Å; E53-K56 PolarHBondContact O-N 3.21Å; E53-C57 PolarHBondContact O-N 3.37Å |
| 54 | W | 60.7 | Low | 61.1 | Low | 133 Ų | 133 | 97.6 Ų | 97.6 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 175.7 | -156.7 | 76.2 | 0 | 0 | 0 | 112 | E50 K56 C57 I58 L81 | E50-W54 PolarHBondContact O-N 2.97Å; W54-K56 PolarHBondContact O-N 2.93Å; W54-C57 PolarHBondContact O-N 2.87Å; W54-I58 HydrophobicContact CD2-CD1 3.82Å; W54-I58 HydrophobicContact CE3-CD1 3.41Å; W54-I58 VanDerWaalsContact CE3-CD1 3.41Å; W54-I58 HydrophobicContact CE3-CG1 4.5Å; W54-I58 HydrophobicContact CH2-CD1 3.45Å; W54-I58 VanDerWaalsContact CH2-CD1 3.45Å; W54-I58 HydrophobicContact CZ2-CD1 3.83Å; W54-I58 HydrophobicContact CZ3-CD1 3.21Å; W54-I58 PolarHBondContact O-N 3.3Å; W54-L81 HydrophobicContact CE3-CD2 3.93Å; W54-L81 HydrophobicContact CZ3-CD2 3.65Å |
| 55 | R | 62.2 | Low | 62 | Low | 43 Ų | 43 | 99.1 Ų | 99.1 | 16% | 0.162 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -57.8 | -43 | 171.6 | 176.7 | -172.3 | -67.7 | -147 | -5.1 | 112.4 | M47 V51 E53 K59 S77 | M47-R55 PolarHBondContact SD-NH2 3.5Å; V51-R55 WeakPolarHBondContact O-CB 3.44Å; V51-R55 PolarHBondContact O-N 3.27Å; V51-R55 VanDerWaalsContact O-N 3.08Å; E53-R55 VanDerWaalsContact C-N 3.29Å; E53-R55 PolarHBondContact O-N 2.71Å; R55-K59 HydrophobicContact CG-CD 4.44Å; R55-K59 WeakPolarHBondContact O-CG 3.37Å; R55-K59 PolarHBondContact O-N 3.11Å; R55-K59 VanDerWaalsContact O-N 3.1Å; R55-S77 WeakPolarHBondContact CD-OG 3.39Å; R55-S77 WeakPolarHBondContact CG-OG 3.2Å; R55-S77 VanDerWaalsContact CZ-OG 3.24Å; R55-S77 PolarHBondContact NE-OG 3.17Å; R55-S77 PolarHBondContact NH1-OG 2.74Å |
| 56 | K | 66.6 | Low | 62.5 | Low | 130 Ų | 130 | 98 Ų | 98 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -47.5 | 176.9 | -73.8 | 169.6 | -179.5 | 179.5 | 0 | 110.7 | R52 E53 W54 I58 K59 T60 | R52-K56 WeakPolarHBondContact O-CG 3.47Å; R52-K56 PolarHBondContact O-N 2.98Å; R52-K56 VanDerWaalsContact O-N 3.15Å; E53-K56 WeakPolarHBondContact O-CB 3.27Å; E53-K56 PolarHBondContact O-N 3.21Å; W54-K56 PolarHBondContact O-N 2.93Å; K56-I58 PolarHBondContact O-N 3.45Å; K56-K59 PolarHBondContact O-N 2.98Å; K56-T60 PolarHBondContact O-N 2.9Å; K56-T60 PolarHBondContact O-OG1 2.82Å; K56-T60 VanDerWaalsContact O-OG1 3.12Å |
| 57 | C | 65.6 | Low | 62.9 | Low | 87 Ų | 87 | 93.2 Ų | 93.2 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.8 | -48.6 | 179.5 | -171.8 | 0 | 0 | 0 | 0 | 112 | E53 W54 K59 T60 G61 | E53-C57 PolarHBondContact O-N 3.37Å; W54-C57 PolarHBondContact O-N 2.87Å; C57-K59 PolarHBondContact O-N 3.46Å; C57-T60 PolarHBondContact O-N 3.37Å; C57-G61 PolarHBondContact O-N 3.48Å |
| 58 | I | 63.7 | Low | 62.8 | Low | 53 Ų | 53 | 96 Ų | 96 | 27% | 0.272 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.3 | -71.1 | 177.1 | 0 | 0 | 0 | 112.1 | W54 K56 T60 G61 L62 I80 | W54-I58 HydrophobicContact CD2-CD1 3.82Å; W54-I58 HydrophobicContact CE3-CD1 3.41Å; W54-I58 VanDerWaalsContact CE3-CD1 3.41Å; W54-I58 HydrophobicContact CE3-CG1 4.5Å; W54-I58 HydrophobicContact CH2-CD1 3.45Å; W54-I58 VanDerWaalsContact CH2-CD1 3.45Å; W54-I58 HydrophobicContact CZ2-CD1 3.83Å; W54-I58 HydrophobicContact CZ3-CD1 3.21Å; W54-I58 PolarHBondContact O-N 3.3Å; K56-I58 PolarHBondContact O-N 3.45Å; I58-T60 VanDerWaalsContact C-N 3.34Å; I58-T60 PolarHBondContact O-N 3.13Å; I58-G61 PolarHBondContact O-N 2.7Å; I58-L62 WeakPolarHBondContact O-CB 3.3Å; I58-L62 PolarHBondContact O-N 3.07Å; I58-I80 HydrophobicContact CG2-CG2 4.49Å |
| 59 | K | 64.8 | Low | 62.4 | Low | 62 Ų | 62 | 94.2 Ų | 94.2 | 27% | 0.27 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.7 | -73.7 | -172.3 | -177.2 | -158.7 | 0 | 111.4 | R55 K56 C57 V63 L73 S77 | R55-K59 HydrophobicContact CG-CD 4.44Å; R55-K59 WeakPolarHBondContact O-CG 3.37Å; R55-K59 PolarHBondContact O-N 3.11Å; R55-K59 VanDerWaalsContact O-N 3.1Å; K56-K59 PolarHBondContact O-N 2.98Å; C57-K59 PolarHBondContact O-N 3.46Å; K59-V63 WeakPolarHBondContact O-CB 3.45Å; K59-V63 WeakPolarHBondContact O-CG2 3.41Å; K59-V63 PolarHBondContact O-N 2.81Å; K59-L73 HydrophobicContact CB-CD2 4.07Å; K59-L73 VanDerWaalsContact CE-O 3.28Å; K59-L73 WeakPolarHBondContact CE-O 3.48Å; K59-L73 HydrophobicContact CG-CD2 3.92Å; K59-L73 HydrophobicContact CG-CG 4.36Å; K59-L73 PolarHBondContact NZ-O 3.46Å; K59-S77 VanDerWaalsContact CE-OG 3.25Å; K59-S77 WeakPolarHBondContact CE-OG 3.49Å; K59-S77 PolarHBondContact NZ-OG 2.87Å |
| 60 | T | 66.4 | Low | 62.2 | Low | 84 Ų | 84 | 92.5 Ų | 92.5 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 175.2 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | K56 C57 I58 L62 V63 H64 | K56-T60 PolarHBondContact O-N 2.9Å; K56-T60 PolarHBondContact O-OG1 2.82Å; K56-T60 VanDerWaalsContact O-OG1 3.12Å; C57-T60 PolarHBondContact O-N 3.37Å; I58-T60 VanDerWaalsContact C-N 3.34Å; I58-T60 PolarHBondContact O-N 3.13Å; T60-L62 PolarHBondContact O-N 3.28Å; T60-V63 PolarHBondContact O-N 3.37Å; T60-H64 PolarHBondContact O-CD2 3.46Å; T60-H64 PolarHBondContact O-N 2.9Å |
| 61 | G | 66.3 | Low | 61.6 | Low | 45 Ų | 45 | 89.5 Ų | 89.5 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C57 I58 H64 F65 | C57-G61 PolarHBondContact O-N 3.48Å; I58-G61 PolarHBondContact O-N 2.7Å; G61-H64 PolarHBondContact O-N 2.84Å; G61-F65 PolarHBondContact O-N 3.24Å |
| 62 | L | 58.4 | Low | 61.3 | Low | 61 Ų | 61 | 91.2 Ų | 91.2 | 32% | 0.319 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.4 | -34.7 | -179.7 | -151.1 | 86.8 | 0 | 0 | 0 | 112.9 | I58 T60 H64 F65 I66 L69 L73 | I58-L62 WeakPolarHBondContact O-CB 3.3Å; I58-L62 PolarHBondContact O-N 3.07Å; T60-L62 PolarHBondContact O-N 3.28Å; L62-H64 VanDerWaalsContact C-N 3.31Å; L62-F65 PolarHBondContact O-N 2.88Å; L62-I66 PolarHBondContact O-N 3.44Å; L62-L69 HydrophobicContact CD2-CD2 3.71Å; L62-L73 HydrophobicContact CB-CD2 4.23Å; L62-L73 HydrophobicContact CD2-CD1 3.56Å; L62-L73 HydrophobicContact CD2-CD2 4.13Å; L62-L73 HydrophobicContact CD2-CG 4.44Å |
| 63 | V | 63.7 | Low | 60.9 | Low | 54 Ų | 54 | 86.4 Ų | 86.4 | 33% | 0.327 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 172.9 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | K59 T60 F65 I66 P67 L73 | K59-V63 WeakPolarHBondContact O-CB 3.45Å; K59-V63 WeakPolarHBondContact O-CG2 3.41Å; K59-V63 PolarHBondContact O-N 2.81Å; T60-V63 PolarHBondContact O-N 3.37Å; V63-F65 VanDerWaalsContact C-N 3.34Å; V63-I66 CarbonylContact O-C 3.53Å; V63-P67 WeakPolarHBondContact O-CA 3.48Å; V63-L73 HydrophobicContact CG2-CD2 4.02Å |
| 64 | H | 63 | Low | 60.3 | Low | 163 Ų | 163 | 82.8 Ų | 82.8 | 76% | 0.755 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.9 | -32.2 | 170.9 | -92.8 | -81.3 | 0 | 0 | 0 | 113.3 | T60 G61 L62 | T60-H64 PolarHBondContact O-CD2 3.46Å; T60-H64 PolarHBondContact O-N 2.9Å; G61-H64 PolarHBondContact O-N 2.84Å; L62-H64 VanDerWaalsContact C-N 3.31Å |
| 65 | F | 61.8 | Low | 59.9 | Low | 170 Ų | 170 | 83.6 Ų | 83.6 | 75% | 0.746 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -79.1 | -39.9 | 178.7 | -167.5 | -111.3 | 0 | 0 | 0 | 112.6 | G61 L62 V63 | G61-F65 PolarHBondContact O-N 3.24Å; L62-F65 PolarHBondContact O-N 2.88Å; V63-F65 VanDerWaalsContact C-N 3.34Å |
| 66 | I | 59.8 | Low | 59.6 | Low | 72 Ų | 72 | 82.8 Ų | 82.8 | 37% | 0.369 | 46% | 0.464 | S | S | . | . | trans | -138.8 | 97.9 | 176.6 | -56.4 | 173 | 0 | 0 | 0 | 109.5 | L62 V63 S68 L69 | L62-I66 PolarHBondContact O-N 3.44Å; V63-I66 CarbonylContact O-C 3.53Å; I66-S68 PolarHBondContact O-N 3.43Å; I66-S68 VanDerWaalsContact O-N 3.15Å; I66-L69 HydrophobicContact CB-CB 4.42Å; I66-L69 HydrophobicContact CG2-CB 4.28Å; I66-L69 PolarHBondContact O-N 2.84Å; I66-L69 VanDerWaalsContact O-N 3.14Å | ||
| 67 | P | 55.8 | Low | 59.4 | Low | 94 Ų | 94 | 77 Ų | 77 | 61% | 0.61 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -64.1 | -24.2 | -174.9 | 23.1 | -33.1 | 0 | 0 | 0 | 113.8 | V63 L69 | V63-P67 WeakPolarHBondContact O-CA 3.48Å; P67-L69 VanDerWaalsContact C-N 3.26Å; P67-L69 PolarHBondContact O-N 3.29Å |
| 68 | S | 55.1 | Low | 59.1 | Low | 107 Ų | 107 | 74.7 Ų | 74.7 | 75% | 0.748 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -72.3 | -10.8 | 178.1 | -49.5 | 0 | 0 | 0 | 0 | 114.6 | I66 | I66-S68 PolarHBondContact O-N 3.43Å; I66-S68 VanDerWaalsContact O-N 3.15Å |
| 69 | L | 53.3 | Low | 58.8 | Low | 50 Ų | 50 | 75 Ų | 75 | 26% | 0.262 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -87.5 | -3 | -173.8 | -137.9 | 73.2 | 0 | 0 | 0 | 114.5 | L62 I66 P67 S71 L72 L73 | L62-L69 HydrophobicContact CD2-CD2 3.71Å; I66-L69 HydrophobicContact CB-CB 4.42Å; I66-L69 HydrophobicContact CG2-CB 4.28Å; I66-L69 PolarHBondContact O-N 2.84Å; I66-L69 VanDerWaalsContact O-N 3.14Å; P67-L69 VanDerWaalsContact C-N 3.26Å; P67-L69 PolarHBondContact O-N 3.29Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.79Å; L69-L72 HydrophobicContact CD1-CD2 4.35Å; L69-L72 HydrophobicContact CG-CB 4.24Å; L69-L72 HydrophobicContact CG-CD2 4.49Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 3.43Å; L69-L72 VanDerWaalsContact O-N 3.1Å; L69-L73 HydrophobicContact CD2-CD1 3.96Å; L69-L73 HydrophobicContact CG-CD1 4.31Å; L69-L73 PolarHBondContact O-N 3.37Å; L69-L73 VanDerWaalsContact O-N 3.11Å |
| 70 | S | 58.4 | Low | 58.6 | Low | 73 Ų | 73 | 74.1 Ų | 74.1 | 51% | 0.51 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -40.7 | -176 | 56.1 | 0 | 0 | 0 | 0 | 114 | L73 | S70-L73 PolarHBondContact O-N 2.99Š|
| 71 | S | 55.8 | Low | 58.1 | Low | 97 Ų | 97 | 72.4 Ų | 72.4 | 68% | 0.678 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -37.3 | 178.3 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | L69 L73 S74 | L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.79Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-S74 PolarHBondContact O-OG 3.37Å |
| 72 | L | 53.4 | Low | 58 | Low | 88 Ų | 88 | 75.9 Ų | 75.9 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -33.7 | 177.9 | -140.1 | 86 | 0 | 0 | 0 | 111.7 | L69 S74 F75 L76 | L69-L72 HydrophobicContact CD1-CD2 4.35Å; L69-L72 HydrophobicContact CG-CB 4.24Å; L69-L72 HydrophobicContact CG-CD2 4.49Å; L69-L72 WeakPolarHBondContact O-CB 3.37Å; L69-L72 PolarHBondContact O-N 3.43Å; L69-L72 VanDerWaalsContact O-N 3.1Å; L72-S74 PolarHBondContact O-N 2.91Å; L72-S74 VanDerWaalsContact O-N 3.13Å; L72-F75 PolarHBondContact O-N 3.4Å; L72-L76 HydrophobicContact CB-CD1 4.48Å; L72-L76 HydrophobicContact CD2-CD1 3.81Å; L72-L76 HydrophobicContact CD2-CD2 4.18Å; L72-L76 HydrophobicContact CG-CD1 3.85Å; L72-L76 WeakPolarHBondContact O-CD1 3.34Å; L72-L76 PolarHBondContact O-N 2.73Å |
| 73 | L | 55.7 | Low | 58.2 | Low | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.037 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -7.1 | -172.3 | -118.1 | 63.8 | 0 | 0 | 0 | 116.1 | K59 L62 V63 L69 S70 S71 L76 I80 | K59-L73 HydrophobicContact CB-CD2 4.07Å; K59-L73 VanDerWaalsContact CE-O 3.28Å; K59-L73 WeakPolarHBondContact CE-O 3.48Å; K59-L73 HydrophobicContact CG-CD2 3.92Å; K59-L73 HydrophobicContact CG-CG 4.36Å; K59-L73 PolarHBondContact NZ-O 3.46Å; L62-L73 HydrophobicContact CB-CD2 4.23Å; L62-L73 HydrophobicContact CD2-CD1 3.56Å; L62-L73 HydrophobicContact CD2-CD2 4.13Å; L62-L73 HydrophobicContact CD2-CG 4.44Å; V63-L73 HydrophobicContact CG2-CD2 4.02Å; L69-L73 HydrophobicContact CD2-CD1 3.96Å; L69-L73 HydrophobicContact CG-CD1 4.31Å; L69-L73 PolarHBondContact O-N 3.37Å; L69-L73 VanDerWaalsContact O-N 3.11Å; S70-L73 PolarHBondContact O-N 2.99Å; S71-L73 VanDerWaalsContact C-N 3.34Å; L73-L76 HydrophobicContact CD1-CD2 4.41Å; L73-I80 HydrophobicContact CD1-CD1 4.17Å |
| 74 | S | 55.3 | Low | 58 | Low | 66 Ų | 66 | 72.6 Ų | 72.6 | 46% | 0.462 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -59.5 | 168.2 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | S71 L72 L76 | S71-S74 PolarHBondContact O-OG 3.37Å; L72-S74 PolarHBondContact O-N 2.91Å; L72-S74 VanDerWaalsContact O-N 3.13Å; S74-L76 PolarHBondContact O-N 2.98Å |
| 75 | F | 53.9 | Low | 57.9 | Low | 149 Ų | 149 | 68.1 Ų | 68.1 | 65% | 0.654 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -65.4 | -32.8 | 179.7 | -73.5 | -82.1 | 0 | 0 | 0 | 114.2 | L72 S77 | L72-F75 PolarHBondContact O-N 3.4Å; F75-S77 PolarHBondContact O-N 3.45Å; F75-S77 VanDerWaalsContact O-N 3.16Å |
| 76 | L | 55 | Low | 58.2 | Low | 27 Ų | 27 | 65 Ų | 65 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -72.4 | -5.6 | -173.2 | -101 | 73 | 0 | 0 | 0 | 114.6 | L31 L72 L73 S74 S78 F79 I80 | L31-L76 HydrophobicContact CD2-CD1 3.84Å; L31-L76 HydrophobicContact CD2-CG 4.49Å; L72-L76 HydrophobicContact CB-CD1 4.48Å; L72-L76 HydrophobicContact CD2-CD1 3.81Å; L72-L76 HydrophobicContact CD2-CD2 4.18Å; L72-L76 HydrophobicContact CG-CD1 3.85Å; L72-L76 WeakPolarHBondContact O-CD1 3.34Å; L72-L76 PolarHBondContact O-N 2.73Å; L73-L76 HydrophobicContact CD1-CD2 4.41Å; S74-L76 PolarHBondContact O-N 2.98Å; L76-S78 PolarHBondContact O-N 2.8Å; L76-F79 PolarHBondContact O-N 3.31Å; L76-I80 HydrophobicContact CB-CD1 3.66Å; L76-I80 HydrophobicContact CB-CG1 3.86Å; L76-I80 HydrophobicContact CD2-CD1 3.86Å; L76-I80 HydrophobicContact CD2-CG1 3.94Å; L76-I80 HydrophobicContact CG-CD1 4.28Å; L76-I80 HydrophobicContact CG-CG1 4.2Å; L76-I80 WeakPolarHBondContact O-CB 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.44Å; L76-I80 PolarHBondContact O-N 3.36Å |
| 77 | S | 63.3 | Low | 58.5 | Low | 8 Ų | 8 | 66 Ų | 66 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -67.7 | -29.2 | -161.1 | -152.1 | 0 | 0 | 0 | 0 | 116.3 | R55 K59 F75 | R55-S77 WeakPolarHBondContact CD-OG 3.39Å; R55-S77 WeakPolarHBondContact CG-OG 3.2Å; R55-S77 VanDerWaalsContact CZ-OG 3.24Å; R55-S77 PolarHBondContact NE-OG 3.17Å; R55-S77 PolarHBondContact NH1-OG 2.74Å; K59-S77 VanDerWaalsContact CE-OG 3.25Å; K59-S77 WeakPolarHBondContact CE-OG 3.49Å; K59-S77 PolarHBondContact NZ-OG 2.87Å; F75-S77 PolarHBondContact O-N 3.45Å; F75-S77 VanDerWaalsContact O-N 3.16Å |
| 78 | S | 57.7 | Low | 58.8 | Low | 38 Ų | 38 | 66.7 Ų | 66.7 | 27% | 0.266 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -29 | 173.4 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | L76 L82 | L76-S78 PolarHBondContact O-N 2.8Å; S78-L82 PolarHBondContact O-N 3.27Å |
| 79 | F | 57.4 | Low | 59.2 | Low | 59 Ų | 59 | 65.9 Ų | 65.9 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -76.6 | -39.4 | -179.2 | -68.3 | -80.9 | 0 | 0 | 0 | 112.4 | F38 L76 L81 L82 H83 | F38-F79 HydrophobicContact CD1-CZ 4.39Å; F38-F79 HydrophobicContact CG-CZ 4.49Å; L76-F79 PolarHBondContact O-N 3.31Å; F79-L81 VanDerWaalsContact C-N 3.29Å; F79-L81 PolarHBondContact O-N 3.29Å; F79-L82 PolarHBondContact O-N 3.02Å; F79-H83 WeakPolarHBondContact O-CB 3.33Å; F79-H83 PolarHBondContact O-N 2.91Å; F79-H83 PolarHBondContact O-ND1 3.16Å |
| 80 | I | 61.9 | Low | 59.7 | Low | 45 Ų | 45 | 65 Ų | 65 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 172 | -73.1 | 172.4 | 0 | 0 | 0 | 110.2 | I58 L73 L76 H83 S84 | I58-I80 HydrophobicContact CG2-CG2 4.49Å; L73-I80 HydrophobicContact CD1-CD1 4.17Å; L76-I80 HydrophobicContact CB-CD1 3.66Å; L76-I80 HydrophobicContact CB-CG1 3.86Å; L76-I80 HydrophobicContact CD2-CD1 3.86Å; L76-I80 HydrophobicContact CD2-CG1 3.94Å; L76-I80 HydrophobicContact CG-CD1 4.28Å; L76-I80 HydrophobicContact CG-CG1 4.2Å; L76-I80 WeakPolarHBondContact O-CB 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.44Å; L76-I80 PolarHBondContact O-N 3.36Å; I80-H83 PolarHBondContact O-N 3.15Å; I80-S84 VanDerWaalsContact O-CB 3.23Å; I80-S84 WeakPolarHBondContact O-CB 3.42Å; I80-S84 PolarHBondContact O-N 3.13Å; I80-S84 PolarHBondContact O-OG 2.86Å |
| 81 | L | 56.2 | Low | 60.3 | Low | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.3 | -52.8 | 179 | -88.3 | 162.5 | 0 | 0 | 0 | 110.9 | W54 F79 H83 S84 C85 | W54-L81 HydrophobicContact CE3-CD2 3.93Å; W54-L81 HydrophobicContact CZ3-CD2 3.65Å; F79-L81 VanDerWaalsContact C-N 3.29Å; F79-L81 PolarHBondContact O-N 3.29Å; L81-H83 PolarHBondContact O-N 3.17Å; L81-S84 PolarHBondContact O-N 3.45Å; L81-S84 PolarHBondContact O-OG 3.11Å; L81-C85 PolarHBondContact O-N 3.1Å; L81-C85 PolarHBondContact O-SG 2.89Å |
| 82 | L | 63.3 | Low | 60.7 | Low | 118 Ų | 118 | 66.7 Ų | 66.7 | 62% | 0.618 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.2 | -40.9 | 178.2 | -171 | 66.2 | 0 | 0 | 0 | 112.8 | S78 F79 C85 F86 | S78-L82 PolarHBondContact O-N 3.27Å; F79-L82 PolarHBondContact O-N 3.02Å; L82-C85 PolarHBondContact O-N 3.33Å; L82-F86 PolarHBondContact O-N 3.14Å |
| 83 | H | 62.4 | Low | 61.2 | Low | 23 Ų | 23 | 65.7 Ų | 65.7 | 11% | 0.106 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.8 | -33.6 | 176 | -75.2 | 75.9 | 0 | 0 | 0 | 112.5 | L30 F79 I80 L81 F86 L87 | L30-H83 VanDerWaalsContact CD1-CE1 3.49Å; L30-H83 WeakPolarHBondContact CD1-CE1 3.35Å; F79-H83 WeakPolarHBondContact O-CB 3.33Å; F79-H83 PolarHBondContact O-N 2.91Å; F79-H83 PolarHBondContact O-ND1 3.16Å; I80-H83 PolarHBondContact O-N 3.15Å; L81-H83 PolarHBondContact O-N 3.17Å; H83-F86 PolarHBondContact O-N 3.43Å; H83-L87 VanDerWaalsContact O-CB 3.32Å; H83-L87 WeakPolarHBondContact O-CB 3.32Å; H83-L87 VanDerWaalsContact O-CG 3.28Å; H83-L87 WeakPolarHBondContact O-CG 3.13Å; H83-L87 PolarHBondContact O-N 3.3Å |
| 84 | S | 60.2 | Low | 61.8 | Low | 23 Ų | 23 | 69.1 Ų | 69.1 | 16% | 0.161 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 175.3 | 73.5 | 0 | 0 | 0 | 0 | 110.9 | I80 L81 L87 L88 | I80-S84 VanDerWaalsContact O-CB 3.23Å; I80-S84 WeakPolarHBondContact O-CB 3.42Å; I80-S84 PolarHBondContact O-N 3.13Å; I80-S84 PolarHBondContact O-OG 2.86Å; L81-S84 PolarHBondContact O-N 3.45Å; L81-S84 PolarHBondContact O-OG 3.11Å; S84-L87 PolarHBondContact O-N 2.95Å; S84-L88 WeakPolarHBondContact O-CB 3.33Å; S84-L88 WeakPolarHBondContact O-CD1 3.23Å; S84-L88 WeakPolarHBondContact O-CG 3.42Å; S84-L88 PolarHBondContact O-N 3.18Å |
| 85 | C | 61.3 | Low | 62.3 | Low | 69 Ų | 69 | 70 Ų | 70 | 47% | 0.466 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 169.9 | -66.6 | 0 | 0 | 0 | 0 | 111 | L81 L82 L87 L88 T89 | L81-C85 PolarHBondContact O-N 3.1Å; L81-C85 PolarHBondContact O-SG 2.89Å; L82-C85 PolarHBondContact O-N 3.33Å; C85-L87 PolarHBondContact O-N 3.2Å; C85-L88 PolarHBondContact O-N 3.02Å; C85-T89 WeakPolarHBondContact O-CB 3.28Å; C85-T89 PolarHBondContact O-N 3.42Å; C85-T89 PolarHBondContact O-OG1 3.29Å |
| 86 | F | 67.8 | Low | 63.1 | Low | 106 Ų | 106 | 68 Ų | 68 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 178.7 | -169.9 | -97.9 | 0 | 0 | 0 | 113 | L23 L82 H83 S90 | L23-F86 HydrophobicContact CD1-CD1 4.29Å; L23-F86 HydrophobicContact CD1-CE1 4.49Å; L82-F86 PolarHBondContact O-N 3.14Å; H83-F86 PolarHBondContact O-N 3.43Å; F86-S90 VanDerWaalsContact O-CB 3.27Å; F86-S90 WeakPolarHBondContact O-CB 3.49Å; F86-S90 PolarHBondContact O-N 3.36Å; F86-S90 PolarHBondContact O-OG 3.07Å |
| 87 | L | 65.2 | Low | 63.7 | Low | 93 Ų | 93 | 71.5 Ų | 71.5 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 173 | -79.4 | 165.2 | 0 | 0 | 0 | 111.4 | L23 H83 S84 C85 S90 F91 | L23-L87 HydrophobicContact CD1-CD2 3.53Å; L23-L87 HydrophobicContact CD1-CG 4.12Å; H83-L87 VanDerWaalsContact O-CB 3.32Å; H83-L87 WeakPolarHBondContact O-CB 3.32Å; H83-L87 VanDerWaalsContact O-CG 3.28Å; H83-L87 WeakPolarHBondContact O-CG 3.13Å; H83-L87 PolarHBondContact O-N 3.3Å; S84-L87 PolarHBondContact O-N 2.95Å; C85-L87 PolarHBondContact O-N 3.2Å; L87-S90 PolarHBondContact O-N 3.02Å; L87-F91 WeakPolarHBondContact O-CB 3.17Å; L87-F91 PolarHBondContact O-N 3.33Å |
| 88 | L | 62.8 | Low | 63.8 | Low | 108 Ų | 108 | 75 Ų | 75 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66 | -41.1 | 178.1 | -71.8 | 167.9 | 0 | 0 | 0 | 112 | S84 C85 S92 | S84-L88 WeakPolarHBondContact O-CB 3.33Å; S84-L88 WeakPolarHBondContact O-CD1 3.23Å; S84-L88 WeakPolarHBondContact O-CG 3.42Å; S84-L88 PolarHBondContact O-N 3.18Å; C85-L88 PolarHBondContact O-N 3.02Å; L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 2.95Å |
| 89 | T | 63.1 | Low | 64.4 | Low | 90 Ų | 90 | 76.2 Ų | 76.2 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 174.1 | -57 | 0 | 0 | 0 | 0 | 111.5 | C85 S93 | C85-T89 WeakPolarHBondContact O-CB 3.28Å; C85-T89 PolarHBondContact O-N 3.42Å; C85-T89 PolarHBondContact O-OG1 3.29Å; T89-S93 WeakPolarHBondContact O-CB 3.49Å; T89-S93 PolarHBondContact O-N 3.26Å; T89-S93 PolarHBondContact O-OG 3.23Å |
| 90 | S | 63.6 | Low | 64.8 | Low | 30 Ų | 30 | 77 Ų | 77 | 21% | 0.21 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 177 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | F86 L87 S93 V94 | F86-S90 VanDerWaalsContact O-CB 3.27Å; F86-S90 WeakPolarHBondContact O-CB 3.49Å; F86-S90 PolarHBondContact O-N 3.36Å; F86-S90 PolarHBondContact O-OG 3.07Å; L87-S90 PolarHBondContact O-N 3.02Å; S90-S93 WeakPolarHBondContact O-CB 3.49Å; S90-S93 PolarHBondContact O-N 3.46Å; S90-V94 WeakPolarHBondContact O-CG2 3.42Å; S90-V94 PolarHBondContact O-N 3.34Å |
| 91 | F | 70.2 | Confident | 65.1 | Low | 132 Ų | 132 | 80 Ų | 80 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 177.3 | -175.9 | -109.4 | 0 | 0 | 0 | 111.9 | L87 S93 V94 L95 | L87-F91 WeakPolarHBondContact O-CB 3.17Å; L87-F91 PolarHBondContact O-N 3.33Å; F91-S93 VanDerWaalsContact C-N 3.32Å; F91-S93 PolarHBondContact O-N 3.38Å; F91-V94 PolarHBondContact O-N 3.18Å; F91-L95 HydrophobicContact CD1-CD1 3.8Å; F91-L95 HydrophobicContact CD1-CG 4.41Å; F91-L95 HydrophobicContact CE1-CD1 3.41Å; F91-L95 VanDerWaalsContact CE1-CD1 3.41Å; F91-L95 HydrophobicContact CE1-CG 4.16Å; F91-L95 HydrophobicContact CZ-CD1 3.88Å; F91-L95 HydrophobicContact CZ-CD2 4.47Å; F91-L95 HydrophobicContact CZ-CG 4.25Å; F91-L95 WeakPolarHBondContact O-CB 3.23Å; F91-L95 WeakPolarHBondContact O-CG 3.42Å; F91-L95 PolarHBondContact O-N 2.96Å |
| 92 | S | 64.3 | Low | 65.6 | Low | 74 Ų | 74 | 83.7 Ų | 83.7 | 52% | 0.517 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 172.6 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | L88 L95 L96 | L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 2.95Å; S92-L95 PolarHBondContact O-N 2.81Å; S92-L96 VanDerWaalsContact O-CB 3.3Å; S92-L96 WeakPolarHBondContact O-CB 3.34Å; S92-L96 PolarHBondContact O-N 3.18Å |
| 93 | S | 63.9 | Low | 65.5 | Low | 68 Ų | 68 | 80.9 Ų | 80.9 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 176.5 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | T89 S90 F91 L96 L97 | T89-S93 WeakPolarHBondContact O-CB 3.49Å; T89-S93 PolarHBondContact O-N 3.26Å; T89-S93 PolarHBondContact O-OG 3.23Å; S90-S93 WeakPolarHBondContact O-CB 3.49Å; S90-S93 PolarHBondContact O-N 3.46Å; F91-S93 VanDerWaalsContact C-N 3.32Å; F91-S93 PolarHBondContact O-N 3.38Å; S93-L96 PolarHBondContact O-N 2.92Å; S93-L97 WeakPolarHBondContact O-CB 3.34Å; S93-L97 PolarHBondContact O-N 3.37Å |
| 94 | V | 69.6 | Low | 65.5 | Low | 79 Ų | 79 | 83.7 Ų | 83.7 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.5 | -41.1 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | S90 F91 L96 L97 L98 | S90-V94 WeakPolarHBondContact O-CG2 3.42Å; S90-V94 PolarHBondContact O-N 3.34Å; F91-V94 PolarHBondContact O-N 3.18Å; V94-L96 VanDerWaalsContact C-N 3.34Å; V94-L97 PolarHBondContact O-N 3.3Å; V94-L98 WeakPolarHBondContact O-CB 3.35Å; V94-L98 PolarHBondContact O-N 2.71Å |
| 95 | L | 65.3 | Low | 65.6 | Low | 83 Ų | 83 | 87 Ų | 87 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 174.2 | -74.8 | 179.2 | 0 | 0 | 0 | 112.5 | F91 S92 L98 S99 | F91-L95 HydrophobicContact CD1-CD1 3.8Å; F91-L95 HydrophobicContact CD1-CG 4.41Å; F91-L95 HydrophobicContact CE1-CD1 3.41Å; F91-L95 VanDerWaalsContact CE1-CD1 3.41Å; F91-L95 HydrophobicContact CE1-CG 4.16Å; F91-L95 HydrophobicContact CZ-CD1 3.88Å; F91-L95 HydrophobicContact CZ-CD2 4.47Å; F91-L95 HydrophobicContact CZ-CG 4.25Å; F91-L95 WeakPolarHBondContact O-CB 3.23Å; F91-L95 WeakPolarHBondContact O-CG 3.42Å; F91-L95 PolarHBondContact O-N 2.96Å; S92-L95 PolarHBondContact O-N 2.81Å; L95-L98 PolarHBondContact O-N 3.33Å; L95-S99 WeakPolarHBondContact O-CB 3.36Å; L95-S99 PolarHBondContact O-N 3.06Å; L95-S99 PolarHBondContact O-OG 3.03Å |
| 96 | L | 69.9 | Low | 65.5 | Low | 109 Ų | 109 | 87.6 Ų | 87.6 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 173.8 | -178 | 65.3 | 0 | 0 | 0 | 111.3 | S92 S93 V94 L98 S99 V100 | S92-L96 VanDerWaalsContact O-CB 3.3Å; S92-L96 WeakPolarHBondContact O-CB 3.34Å; S92-L96 PolarHBondContact O-N 3.18Å; S93-L96 PolarHBondContact O-N 2.92Å; V94-L96 VanDerWaalsContact C-N 3.34Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 2.86Å; L96-S99 PolarHBondContact O-N 3.32Å; L96-S99 PolarHBondContact O-OG 3.12Å; L96-S99 VanDerWaalsContact O-OG 3.09Å; L96-V100 HydrophobicContact CD1-CG2 4.35Å; L96-V100 WeakPolarHBondContact O-CB 3.41Å; L96-V100 VanDerWaalsContact O-CG2 3.24Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 2.73Å |
| 97 | L | 68.6 | Low | 64.9 | Low | 100 Ų | 100 | 86.2 Ų | 86.2 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 174.4 | -172.8 | 67.7 | 0 | 0 | 0 | 111.2 | S93 V94 F101 | S93-L97 WeakPolarHBondContact O-CB 3.34Å; S93-L97 PolarHBondContact O-N 3.37Å; V94-L97 PolarHBondContact O-N 3.3Å; L97-F101 VanDerWaalsContact O-CB 3.3Å; L97-F101 WeakPolarHBondContact O-CB 3.16Å; L97-F101 PolarHBondContact O-N 3.03Å |
| 98 | L | 66 | Low | 64.2 | Low | 82 Ų | 82 | 86.2 Ų | 86.2 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -40.5 | 177.6 | -170.8 | 66.8 | 0 | 0 | 0 | 112.2 | V94 L95 L96 F101 F102 | V94-L98 WeakPolarHBondContact O-CB 3.35Å; V94-L98 PolarHBondContact O-N 2.71Å; L95-L98 PolarHBondContact O-N 3.33Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 2.86Å; L98-F101 WeakPolarHBondContact O-CB 3.26Å; L98-F101 PolarHBondContact O-N 3.12Å; L98-F102 HydrophobicContact CD1-CD2 4.23Å; L98-F102 HydrophobicContact CD1-CE2 3.73Å; L98-F102 HydrophobicContact CD2-CE2 4.23Å; L98-F102 HydrophobicContact CG-CD2 3.95Å; L98-F102 HydrophobicContact CG-CE2 3.71Å; L98-F102 WeakPolarHBondContact O-CD2 3.28Å; L98-F102 PolarHBondContact O-N 3.11Å |
| 99 | S | 69.6 | Low | 63.6 | Low | 63 Ų | 63 | 86.4 Ų | 86.4 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 177.9 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | L95 L96 F102 A103 | L95-S99 WeakPolarHBondContact O-CB 3.36Å; L95-S99 PolarHBondContact O-N 3.06Å; L95-S99 PolarHBondContact O-OG 3.03Å; L96-S99 PolarHBondContact O-N 3.32Å; L96-S99 PolarHBondContact O-OG 3.12Å; L96-S99 VanDerWaalsContact O-OG 3.09Å; S99-F102 PolarHBondContact O-N 3.21Å; S99-A103 VanDerWaalsContact O-CB 3.29Å; S99-A103 WeakPolarHBondContact O-CB 3.22Å; S99-A103 PolarHBondContact O-N 3.34Å |
| 100 | V | 66.1 | Low | 63.1 | Low | 76 Ų | 76 | 86.7 Ų | 86.7 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 170.5 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L96 A103 V104 | L96-V100 HydrophobicContact CD1-CG2 4.35Å; L96-V100 WeakPolarHBondContact O-CB 3.41Å; L96-V100 VanDerWaalsContact O-CG2 3.24Å; L96-V100 WeakPolarHBondContact O-CG2 3.45Å; L96-V100 PolarHBondContact O-N 2.73Å; V100-A103 PolarHBondContact O-N 2.83Å; V100-V104 HydrophobicContact CG1-CG2 4.37Å; V100-V104 WeakPolarHBondContact O-CB 3.41Å; V100-V104 VanDerWaalsContact O-CG2 3.3Å; V100-V104 WeakPolarHBondContact O-CG2 3.39Å; V100-V104 PolarHBondContact O-N 3.37Å |
| 101 | F | 67.3 | Low | 62.4 | Low | 106 Ų | 106 | 90.5 Ų | 90.5 | 47% | 0.465 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 175 | -179.8 | -103.1 | 0 | 0 | 0 | 112.1 | L97 L98 A103 V104 L105 | L97-F101 VanDerWaalsContact O-CB 3.3Å; L97-F101 WeakPolarHBondContact O-CB 3.16Å; L97-F101 PolarHBondContact O-N 3.03Å; L98-F101 WeakPolarHBondContact O-CB 3.26Å; L98-F101 PolarHBondContact O-N 3.12Å; F101-A103 PolarHBondContact O-N 3.35Å; F101-V104 PolarHBondContact O-N 2.91Å; F101-L105 HydrophobicContact CD1-CD1 3.87Å; F101-L105 HydrophobicContact CE1-CD1 3.45Å; F101-L105 VanDerWaalsContact CE1-CD1 3.45Å; F101-L105 HydrophobicContact CE1-CG 4.43Å; F101-L105 HydrophobicContact CE2-CD1 4.5Å; F101-L105 HydrophobicContact CZ-CD1 3.81Å; F101-L105 HydrophobicContact CZ-CG 4.47Å; F101-L105 WeakPolarHBondContact O-CG 3.49Å; F101-L105 PolarHBondContact O-N 2.94Å |
| 102 | F | 66.5 | Low | 60.9 | Low | 126 Ų | 126 | 92.3 Ų | 92.3 | 55% | 0.553 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.1 | -35.7 | 174.4 | -78.5 | -61.8 | 0 | 0 | 0 | 113.3 | L98 S99 L105 S106 | L98-F102 HydrophobicContact CD1-CD2 4.23Å; L98-F102 HydrophobicContact CD1-CE2 3.73Å; L98-F102 HydrophobicContact CD2-CE2 4.23Å; L98-F102 HydrophobicContact CG-CD2 3.95Å; L98-F102 HydrophobicContact CG-CE2 3.71Å; L98-F102 WeakPolarHBondContact O-CD2 3.28Å; L98-F102 PolarHBondContact O-N 3.11Å; S99-F102 PolarHBondContact O-N 3.21Å; F102-L105 HydrophobicContact CD1-CD1 4.48Å; F102-L105 PolarHBondContact O-N 3.34Å; F102-S106 VanDerWaalsContact O-CB 3.29Å; F102-S106 WeakPolarHBondContact O-CB 3.38Å; F102-S106 PolarHBondContact O-N 3.4Å |
| 103 | A | 61.4 | Low | 60.5 | Low | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.6 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S99 V100 F101 S106 S107 | S99-A103 VanDerWaalsContact O-CB 3.29Å; S99-A103 WeakPolarHBondContact O-CB 3.22Å; S99-A103 PolarHBondContact O-N 3.34Å; V100-A103 PolarHBondContact O-N 2.83Å; F101-A103 PolarHBondContact O-N 3.35Å; A103-S106 PolarHBondContact O-N 2.83Å; A103-S107 WeakPolarHBondContact O-CB 3.49Å; A103-S107 PolarHBondContact O-N 3.02Å; A103-S107 PolarHBondContact O-OG 3.39Å |
| 104 | V | 63.3 | Low | 60.5 | Low | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.9 | -43.3 | 173.6 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V100 F101 S106 S107 S108 | V100-V104 HydrophobicContact CG1-CG2 4.37Å; V100-V104 WeakPolarHBondContact O-CB 3.41Å; V100-V104 VanDerWaalsContact O-CG2 3.3Å; V100-V104 WeakPolarHBondContact O-CG2 3.39Å; V100-V104 PolarHBondContact O-N 3.37Å; F101-V104 PolarHBondContact O-N 2.91Å; V104-S106 PolarHBondContact O-N 2.84Å; V104-S107 WeakPolarHBondContact CA-OG 3.36Å; V104-S107 PolarHBondContact O-OG 3.07Å; V104-S107 VanDerWaalsContact O-OG 3.12Å; V104-S108 WeakPolarHBondContact O-CB 3.31Å; V104-S108 PolarHBondContact O-N 3.48Å; V104-S108 PolarHBondContact O-OG 3.11Å |
| 105 | L | 61.3 | Low | 59 | Low | 93 Ų | 93 | 99.1 Ų | 99.1 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.8 | -42.8 | 173.9 | -72.7 | 172.4 | 0 | 0 | 0 | 112.7 | F101 F102 S108 | F101-L105 HydrophobicContact CD1-CD1 3.87Å; F101-L105 HydrophobicContact CE1-CD1 3.45Å; F101-L105 VanDerWaalsContact CE1-CD1 3.45Å; F101-L105 HydrophobicContact CE1-CG 4.43Å; F101-L105 HydrophobicContact CE2-CD1 4.5Å; F101-L105 HydrophobicContact CZ-CD1 3.81Å; F101-L105 HydrophobicContact CZ-CG 4.47Å; F101-L105 WeakPolarHBondContact O-CG 3.49Å; F101-L105 PolarHBondContact O-N 2.94Å; F102-L105 HydrophobicContact CD1-CD1 4.48Å; F102-L105 PolarHBondContact O-N 3.34Å; L105-S108 PolarHBondContact O-N 3.32Å |
| 106 | S | 59.2 | Low | 57.7 | Low | 82 Ų | 82 | 105 Ų | 105 | 57% | 0.573 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.6 | -47 | 178.8 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | F102 A103 V104 S108 C109 | F102-S106 VanDerWaalsContact O-CB 3.29Å; F102-S106 WeakPolarHBondContact O-CB 3.38Å; F102-S106 PolarHBondContact O-N 3.4Å; A103-S106 PolarHBondContact O-N 2.83Å; V104-S106 PolarHBondContact O-N 2.84Å; S106-S108 VanDerWaalsContact C-N 3.29Å; S106-S108 PolarHBondContact O-N 3.2Å; S106-C109 WeakPolarHBondContact O-CB 3.23Å; S106-C109 PolarHBondContact O-N 2.93Å |
| 107 | S | 55.3 | Low | 56.3 | Low | 77 Ų | 77 | 108.9 Ų | 108.9 | 54% | 0.538 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66 | -28.4 | 175.8 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | A103 V104 C109 S110 | A103-S107 WeakPolarHBondContact O-CB 3.49Å; A103-S107 PolarHBondContact O-N 3.02Å; A103-S107 PolarHBondContact O-OG 3.39Å; V104-S107 WeakPolarHBondContact CA-OG 3.36Å; V104-S107 PolarHBondContact O-OG 3.07Å; V104-S107 VanDerWaalsContact O-OG 3.12Å; S107-C109 PolarHBondContact O-N 3.34Å; S107-S110 PolarHBondContact O-N 3.2Å; S107-S110 VanDerWaalsContact O-N 3.15Å |
| 108 | S | 51.7 | Low | 55 | Low | 93 Ų | 93 | 108.1 Ų | 108.1 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -17.1 | 172 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | V104 L105 S106 | V104-S108 WeakPolarHBondContact O-CB 3.31Å; V104-S108 PolarHBondContact O-N 3.48Å; V104-S108 PolarHBondContact O-OG 3.11Å; L105-S108 PolarHBondContact O-N 3.32Å; S106-S108 VanDerWaalsContact C-N 3.29Å; S106-S108 PolarHBondContact O-N 3.2Å |
| 109 | C | 50 | Low | 54.1 | Low | 112 Ų | 112 | 110.6 Ų | 110.6 | 76% | 0.757 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 0.2 | 176.5 | -162.2 | 0 | 0 | 0 | 0 | 113.2 | S106 S107 | S106-C109 WeakPolarHBondContact O-CB 3.23Å; S106-C109 PolarHBondContact O-N 2.93Å; S107-C109 PolarHBondContact O-N 3.34Å |
| 110 | S | 51.4 | Low | 53.1 | Low | 95 Ų | 95 | 114.8 Ų | 114.8 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | trans | -134.6 | 73.7 | -171.3 | -60.8 | 0 | 0 | 0 | 0 | 113 | S107 | S107-S110 PolarHBondContact O-N 3.2Å; S107-S110 VanDerWaalsContact O-N 3.15Å | ||
| 111 | S | 49.3 | Very low | 52.5 | Low | 111 Ų | 111 | 116.7 Ų | 116.7 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | trans | -94.2 | 103.1 | 172.7 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 112 | L | 38.5 | Very low | 51.8 | Low | 169 Ų | 169 | 116.3 Ų | 116.3 | 89% | 0.885 | 69% | 0.686 | S | S | * | * | 177.6 | 147.1 | 129.1 | -91.8 | 163.6 | 0 | 0 | 0 | 111.6 | |||||
| 113 | P | 56.3 | Low | 50.5 | Low | 110 Ų | 110 | 115.6 Ų | 115.6 | 71% | 0.714 | 70% | 0.696 | S | S | * | * | trans | -109.9 | -166.7 | -170.2 | 46.8 | -38.9 | 0 | 0 | 0 | 112.2 | ||||
| 114 | P | 62.9 | Low | 49.6 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 71% | 0.708 | 71% | 0.708 | S | S | * | * | cis | -143.6 | -175.8 | 6.2 | 42.3 | -21.8 | 0 | 0 | 0 | 119 | ||||
| 115 | L | 39.4 | Very low | 48.3 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | 99.2 | 143.5 | 142.7 | -131.6 | 82 | 0 | 0 | 0 | 120.9 | ||||
| 116 | R | 37.6 | Very low | 47.3 | Very low | 207 Ų | 207 | 127.4 Ų | 127.4 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | 78.9 | 138.1 | 168.9 | -59.3 | 173.3 | -173.5 | 170.6 | 3.9 | 115.9 | ||||
| 117 | F | 40.5 | Very low | 46.5 | Very low | 191 Ų | 191 | 129.9 Ų | 129.9 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | cis | -145.9 | 152.9 | -3.4 | -108.5 | -68.9 | 0 | 0 | 0 | 109.1 | ||||
| 118 | A | 41.8 | Very low | 45.5 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | trans | -93.6 | 157.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 119 | P | 45.7 | Very low | 45.4 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | -145.1 | 159.7 | 91.5 | 36.1 | -18.7 | 0 | 0 | 0 | 117.3 | |||||
| 120 | L | 50.3 | Low | 44.5 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -67.3 | 167.2 | 165.7 | -155.6 | 45.6 | 0 | 0 | 0 | 109.1 | ||||
| 121 | P | 51.9 | Low | 44.1 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -150.6 | -154 | 41.2 | 48.7 | -24 | 0 | 0 | 0 | 116.4 | ||||
| 122 | P | 52.9 | Low | 43.5 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | -130.4 | -175.1 | -107.4 | 37.6 | -16 | 0 | 0 | 0 | 115.9 | |||||
| 123 | S | 39.6 | Very low | 43.5 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 83.4 | 163.3 | 160.4 | 97.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 124 | P | 43.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | cis | -110.9 | 150 | 14 | 38.1 | -28.1 | 0 | 0 | 0 | 116.7 | ||||
| 125 | K | 35.7 | Very low | 42.1 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -72.6 | 126.6 | 162.9 | -61.7 | 166.6 | 179.4 | 173.7 | 0 | 108.4 | L127 | K125-L127 PolarHBondContact O-N 3.1Š| ||
| 126 | I | 39.6 | Very low | 42.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | -89.7 | 87 | 167.5 | -58 | 178.3 | 0 | 0 | 0 | 108.4 | ||||
| 127 | L | 42.3 | Very low | 42.8 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | trans | -149.6 | 88.3 | 158 | -166 | 69.8 | 0 | 0 | 0 | 112 | K125 K129 | K125-L127 PolarHBondContact O-N 3.1Å; L127-K129 HydrophobicContact CD1-CB 4.4Å; L127-K129 HydrophobicContact CG-CB 4.41Å | ||
| 128 | H | 35.5 | Very low | 43.5 | Very low | 160 Ų | 160 | 131 Ų | 131 | 74% | 0.741 | 70% | 0.699 | S | S | * | * | trans | -123.7 | 130.6 | 135.4 | -84.6 | 31 | 0 | 0 | 0 | 103.5 | ||||
| 129 | K | 47.7 | Very low | 44.2 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | cis | 52.9 | 47.6 | 14.8 | -131.1 | -174.8 | -170.3 | -173.8 | 0 | 114.8 | L127 | L127-K129 HydrophobicContact CD1-CB 4.4Å; L127-K129 HydrophobicContact CG-CB 4.41Å | ||
| 130 | D | 32.3 | Very low | 45 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | trans | -131.3 | 160.9 | 137.2 | -104.7 | -41.8 | 0 | 0 | 0 | 111.3 | L132 | D130-L132 PolarHBondContact O-N 3.5Š| ||
| 131 | K | 42 | Very low | 45.6 | Very low | 181 Ų | 181 | 126.8 Ų | 126.8 | 79% | 0.787 | 66% | 0.655 | S | S | * | * | trans | -79.5 | 65.7 | -154.7 | -165 | 177.4 | -179.1 | 179.7 | 0 | 114.2 | N133 | K131-N133 PolarHBondContact O-N 3.41Š| ||
| 132 | L | 38.1 | Very low | 46.4 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 78% | 0.78 | 63% | 0.631 | S | S | * | * | trans | -73.6 | 89.9 | 166.7 | -86.7 | 92 | 0 | 0 | 0 | 111.1 | D130 L134 | D130-L132 PolarHBondContact O-N 3.5Å; L132-L134 HydrophobicContact CD2-CB 4.25Å; L132-L134 PolarHBondContact O-N 3.12Å | ||
| 133 | N | 38.6 | Very low | 47.2 | Very low | 123 Ų | 123 | 123 Ų | 123 | 66% | 0.658 | 63% | 0.629 | S | S | * | * | trans | -73.8 | 46.7 | 155.2 | -76.9 | -5.3 | 0 | 0 | 0 | 110.5 | K131 | K131-N133 PolarHBondContact O-N 3.41Š| ||
| 134 | L | 41.3 | Very low | 48.5 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | trans | -101.6 | 79 | 168.4 | -136.8 | 83.4 | 0 | 0 | 0 | 107.5 | L132 I142 | L132-L134 HydrophobicContact CD2-CB 4.25Å; L132-L134 PolarHBondContact O-N 3.12Å; L134-I142 HydrophobicContact CD2-CD1 4.49Å | ||
| 135 | T | 47.5 | Very low | 49.9 | Very low | 54 Ų | 54 | 120 Ų | 120 | 33% | 0.331 | 59% | 0.587 | S | S | . | * | trans | -50.6 | 146.8 | 167.7 | -53.9 | 0 | 0 | 0 | 0 | 109.3 | I137 W167 | T135-I137 VanDerWaalsContact C-N 3.31Å; T135-I137 PolarHBondContact O-N 2.91Å; T135-W167 HydrophobicContact CG2-CB 3.71Å | ||
| 136 | L | 40.3 | Very low | 51.6 | Low | 157 Ų | 157 | 115.3 Ų | 115.3 | 82% | 0.822 | 57% | 0.571 | S | S | * | * | trans | -58.9 | 80.8 | -172.3 | -74.2 | 155.2 | 0 | 0 | 0 | 113.5 | T168 | L136-T168 WeakPolarHBondContact O-CG2 3.4Å; L136-T168 PolarHBondContact O-OG1 2.82Å | ||
| 137 | I | 51.6 | Low | 53.5 | Low | 31 Ų | 31 | 113.9 Ų | 113.9 | 16% | 0.159 | 56% | 0.559 | C | S | . | * | trans | -97.4 | 126 | 169.7 | -55.2 | 169.5 | 0 | 0 | 0 | 107.6 | T135 I142 L145 F166 L174 | T135-I137 VanDerWaalsContact C-N 3.31Å; T135-I137 PolarHBondContact O-N 2.91Å; I137-I142 HydrophobicContact CB-CD1 4.22Å; I137-I142 HydrophobicContact CB-CG1 3.76Å; I137-I142 HydrophobicContact CG2-CD1 4.45Å; I137-I142 HydrophobicContact CG2-CG1 3.5Å; I137-L145 HydrophobicContact CD1-CD2 4.37Å; I137-F166 HydrophobicContact CD1-CB 3.94Å; I137-L174 HydrophobicContact CG1-CD1 4.3Å | ||
| 138 | Y | 54.6 | Low | 54.9 | Low | 154 Ų | 154 | 109.1 Ų | 109.1 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | trans | -57.6 | 135.5 | 173.8 | -112.4 | -86.3 | 0 | 0 | 0 | 110.1 | H140 Y141 I142 | Y138-H140 AromaticContact CD1-CE1 3.33Å; Y138-H140 WeakPolarHBondContact CD1-CE1 3.25Å; Y138-H140 AromaticContact CD1-ND1 3.56Å; Y138-H140 AromaticContact CG-CE1 3.61Å; Y138-H140 PolarHBondContact O-N 2.81Å; Y138-Y141 PolarHBondContact O-N 2.94Å; Y138-I142 PolarHBondContact O-N 2.87Å | ||
| 139 | P | 57.6 | Low | 56.8 | Low | 96 Ų | 96 | 102 Ų | 102 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.2 | -26.3 | -170 | 17.8 | -31.8 | 0 | 0 | 0 | 114.8 | I142 | P139-I142 PolarHBondContact O-N 3.08Å |
| 140 | H | 63.2 | Low | 58.1 | Low | 109 Ų | 109 | 94.6 Ų | 94.6 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.2 | -24.4 | 175.8 | 60.6 | -99.7 | 0 | 0 | 0 | 114.2 | Y138 | Y138-H140 AromaticContact CD1-CE1 3.33Å; Y138-H140 WeakPolarHBondContact CD1-CE1 3.25Å; Y138-H140 AromaticContact CD1-ND1 3.56Å; Y138-H140 AromaticContact CG-CE1 3.61Å; Y138-H140 PolarHBondContact O-N 2.81Å |
| 141 | Y | 62.6 | Low | 60.3 | Low | 74 Ų | 74 | 92.9 Ų | 92.9 | 29% | 0.29 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -80.2 | -35.9 | 172.3 | -72.3 | -71.3 | 0 | 0 | 0 | 111.6 | Y138 S143 R144 L145 | Y138-Y141 PolarHBondContact O-N 2.94Å; Y141-S143 PolarHBondContact O-N 3.09Å; Y141-R144 PolarHBondContact O-N 2.89Å; Y141-L145 VanDerWaalsContact O-CB 3.23Å; Y141-L145 WeakPolarHBondContact O-CB 3.34Å; Y141-L145 PolarHBondContact O-N 2.86Å |
| 142 | I | 68.4 | Low | 61.9 | Low | 49 Ų | 49 | 84.4 Ų | 84.4 | 25% | 0.251 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -54.4 | -53.3 | 179.5 | -59.3 | -179.5 | 0 | 0 | 0 | 110.7 | L134 I137 Y138 P139 R144 L145 L146 | L134-I142 HydrophobicContact CD2-CD1 4.49Å; I137-I142 HydrophobicContact CB-CD1 4.22Å; I137-I142 HydrophobicContact CB-CG1 3.76Å; I137-I142 HydrophobicContact CG2-CD1 4.45Å; I137-I142 HydrophobicContact CG2-CG1 3.5Å; Y138-I142 PolarHBondContact O-N 2.87Å; P139-I142 PolarHBondContact O-N 3.08Å; I142-R144 VanDerWaalsContact C-N 3.29Å; I142-R144 PolarHBondContact O-N 3.34Å; I142-L145 PolarHBondContact O-N 3.05Å; I142-L146 HydrophobicContact CG2-CD1 3.75Å; I142-L146 HydrophobicContact CG2-CG 4.23Å; I142-L146 WeakPolarHBondContact O-CB 3.21Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.3Å |
| 143 | S | 69.2 | Low | 63.6 | Low | 85 Ų | 85 | 79.8 Ų | 79.8 | 59% | 0.594 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.9 | -32.3 | -177.1 | -49.7 | 0 | 0 | 0 | 0 | 113.6 | Y141 K147 | Y141-S143 PolarHBondContact O-N 3.09Å; S143-K147 WeakPolarHBondContact O-CB 3.32Å; S143-K147 PolarHBondContact O-N 2.99Å |
| 144 | R | 67 | Low | 65.4 | Low | 148 Ų | 148 | 79.4 Ų | 79.4 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -77.3 | -37.1 | 178.9 | -165.1 | -175.6 | -74.1 | -174.7 | -5.1 | 111.7 | Y141 I142 I148 L202 | Y141-R144 PolarHBondContact O-N 2.89Å; I142-R144 VanDerWaalsContact C-N 3.29Å; I142-R144 PolarHBondContact O-N 3.34Å; R144-I148 PolarHBondContact O-N 2.95Å; R144-L202 HydrophobicContact CB-CD1 4.43Å; R144-L202 HydrophobicContact CG-CD1 3.75Å; R144-L202 HydrophobicContact CG-CD2 4.49Å |
| 145 | L | 72.4 | Confident | 67.1 | Low | 11 Ų | 11 | 75.3 Ų | 75.3 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.9 | -52.1 | 175.1 | -175.3 | 65.8 | 0 | 0 | 0 | 110.9 | I137 Y141 I142 K147 I148 T149 F166 L174 V203 | I137-L145 HydrophobicContact CD1-CD2 4.37Å; Y141-L145 VanDerWaalsContact O-CB 3.23Å; Y141-L145 WeakPolarHBondContact O-CB 3.34Å; Y141-L145 PolarHBondContact O-N 2.86Å; I142-L145 PolarHBondContact O-N 3.05Å; L145-K147 PolarHBondContact O-N 3.22Å; L145-I148 PolarHBondContact O-N 3.26Å; L145-I148 VanDerWaalsContact O-N 3.13Å; L145-T149 PolarHBondContact O-N 2.8Å; L145-T149 PolarHBondContact O-OG1 3.37Å; L145-T149 VanDerWaalsContact O-OG1 3.05Å; L145-F166 HydrophobicContact CD1-CD1 4.03Å; L145-F166 HydrophobicContact CD1-CD2 4.3Å; L145-F166 HydrophobicContact CD1-CE1 3.87Å; L145-F166 HydrophobicContact CD1-CE2 4.08Å; L145-F166 HydrophobicContact CD1-CG 4.27Å; L145-F166 HydrophobicContact CD1-CZ 3.88Å; L145-F166 HydrophobicContact CD2-CB 3.84Å; L145-F166 HydrophobicContact CD2-CD1 4.2Å; L145-F166 HydrophobicContact CD2-CD2 3.57Å; L145-F166 HydrophobicContact CD2-CE2 4.07Å; L145-F166 HydrophobicContact CD2-CG 3.63Å; L145-F166 HydrophobicContact CG-CD2 4.11Å; L145-F166 HydrophobicContact CG-CE2 4.09Å; L145-F166 HydrophobicContact CG-CG 4.37Å; L145-F166 HydrophobicContact CG-CZ 4.4Å; L145-L174 HydrophobicContact CD1-CD2 3.76Å; L145-L174 HydrophobicContact CD2-CD2 3.76Å; L145-L174 HydrophobicContact CG-CD2 4.31Å; L145-V203 HydrophobicContact CD1-CG2 4.2Å |
| 146 | L | 71.3 | Confident | 68.2 | Low | 105 Ų | 105 | 79.6 Ų | 79.6 | 55% | 0.55 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57 | -37.6 | 176 | -70.7 | 174.5 | 0 | 0 | 0 | 112.5 | I142 G150 | I142-L146 HydrophobicContact CG2-CD1 3.75Å; I142-L146 HydrophobicContact CG2-CG 4.23Å; I142-L146 WeakPolarHBondContact O-CB 3.21Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.3Å; L146-G150 PolarHBondContact O-N 3.08Å |
| 147 | K | 80.5 | Confident | 69.8 | Low | 136 Ų | 136 | 72.3 Ų | 72.3 | 59% | 0.591 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.5 | -50.8 | 175.1 | 178.8 | 174.2 | 172.4 | 175.2 | 0 | 111.9 | S143 L145 G150 E151 | S143-K147 WeakPolarHBondContact O-CB 3.32Å; S143-K147 PolarHBondContact O-N 2.99Å; L145-K147 PolarHBondContact O-N 3.22Å; K147-G150 PolarHBondContact O-N 3.31Å; K147-E151 WeakPolarHBondContact CE-OE1 3.11Å; K147-E151 IonicContact NZ-OE1 3.93Å; K147-E151 WeakPolarHBondContact O-CG 3.32Å; K147-E151 PolarHBondContact O-N 3.1Å |
| 148 | I | 71.7 | Confident | 71.2 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 17% | 0.174 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.8 | -33.3 | -177.8 | -80.4 | 156.1 | 0 | 0 | 0 | 112.1 | R144 L145 G150 E151 V152 L199 L202 | R144-I148 PolarHBondContact O-N 2.95Å; L145-I148 PolarHBondContact O-N 3.26Å; L145-I148 VanDerWaalsContact O-N 3.13Å; I148-G150 VanDerWaalsContact C-N 3.33Å; I148-E151 PolarHBondContact O-N 3.24Å; I148-V152 WeakPolarHBondContact O-CB 3.43Å; I148-V152 WeakPolarHBondContact O-CG2 3.2Å; I148-V152 PolarHBondContact O-N 3.3Å; I148-L199 HydrophobicContact CG2-CD1 3.79Å; I148-L199 HydrophobicContact CG2-CG 4.24Å; I148-L202 HydrophobicContact CD1-CD1 3.42Å; I148-L202 VanDerWaalsContact CD1-CD1 3.42Å; I148-L202 HydrophobicContact CD1-CG 4.34Å |
| 149 | T | 75.3 | Confident | 72.4 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 168.7 | -53.3 | 0 | 0 | 0 | 0 | 111 | L145 V152 S153 V161 E164 | L145-T149 PolarHBondContact O-N 2.8Å; L145-T149 PolarHBondContact O-OG1 3.37Å; L145-T149 VanDerWaalsContact O-OG1 3.05Å; T149-V152 CarbonylContact O-C 3.55Å; T149-V152 PolarHBondContact O-N 2.86Å; T149-S153 PolarHBondContact O-N 3.44Å; T149-V161 HydrophobicContact CG2-CB 4.43Å; T149-V161 HydrophobicContact CG2-CG1 4.25Å; T149-E164 HydrophobicContact CG2-CG 4.33Å; T149-E164 WeakPolarHBondContact CG2-OE1 3.36Å; T149-E164 WeakPolarHBondContact CG2-OE2 3.21Å; T149-E164 PolarHBondContact OG1-OE2 2.92Å |
| 150 | G | 74.3 | Confident | 73.4 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L146 K147 I148 V152 S153 T154 | L146-G150 PolarHBondContact O-N 3.08Å; K147-G150 PolarHBondContact O-N 3.31Å; I148-G150 VanDerWaalsContact C-N 3.33Å; G150-V152 VanDerWaalsContact C-N 3.27Å; G150-V152 PolarHBondContact O-N 3.01Å; G150-S153 PolarHBondContact O-N 3.15Å; G150-S153 PolarHBondContact O-OG 2.96Å; G150-T154 PolarHBondContact O-N 2.73Å; G150-T154 PolarHBondContact O-OG1 3.26Å |
| 151 | E | 79.4 | Confident | 74 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 173 | -70.5 | 168.8 | -166.7 | 0 | 0 | 111.4 | K147 I148 T154 L155 | K147-E151 WeakPolarHBondContact CE-OE1 3.11Å; K147-E151 IonicContact NZ-OE1 3.93Å; K147-E151 WeakPolarHBondContact O-CG 3.32Å; K147-E151 PolarHBondContact O-N 3.1Å; I148-E151 PolarHBondContact O-N 3.24Å; E151-T154 PolarHBondContact O-N 2.68Å; E151-T154 PolarHBondContact O-OG1 2.69Å; E151-L155 PolarHBondContact O-N 2.91Å |
| 152 | V | 75.4 | Confident | 74.3 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70 | -35.6 | 177 | 157.3 | 0 | 0 | 0 | 0 | 113.7 | I148 T149 G150 T154 L155 V161 V195 R198 L199 | I148-V152 WeakPolarHBondContact O-CB 3.43Å; I148-V152 WeakPolarHBondContact O-CG2 3.2Å; I148-V152 PolarHBondContact O-N 3.3Å; T149-V152 CarbonylContact O-C 3.55Å; T149-V152 PolarHBondContact O-N 2.86Å; G150-V152 VanDerWaalsContact C-N 3.27Å; G150-V152 PolarHBondContact O-N 3.01Å; V152-T154 PolarHBondContact O-N 3.15Å; V152-L155 HydrophobicContact CB-CD1 4.29Å; V152-L155 HydrophobicContact CG1-CD1 4.45Å; V152-L155 HydrophobicContact CG2-CD1 3.94Å; V152-L155 WeakPolarHBondContact O-CB 3.43Å; V152-L155 PolarHBondContact O-N 3.01Å; V152-V161 HydrophobicContact CG1-CG2 4.07Å; V152-V195 HydrophobicContact CG1-CG1 3.97Å; V152-V195 HydrophobicContact CG1-CG2 3.92Å; V152-R198 HydrophobicContact CG2-CB 3.95Å; V152-R198 HydrophobicContact CG2-CG 4.48Å; V152-L199 HydrophobicContact CB-CD1 4.32Å; V152-L199 HydrophobicContact CG2-CD1 3.51Å |
| 153 | S | 74.2 | Confident | 73.7 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70 | -20.3 | 175.6 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | T149 G150 | T149-S153 PolarHBondContact O-N 3.44Å; G150-S153 PolarHBondContact O-N 3.15Å; G150-S153 PolarHBondContact O-OG 2.96Å |
| 154 | T | 75.6 | Confident | 74 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.4 | 173.4 | 59.5 | 0 | 0 | 0 | 0 | 114.9 | G150 E151 V152 | G150-T154 PolarHBondContact O-N 2.73Å; G150-T154 PolarHBondContact O-OG1 3.26Å; E151-T154 PolarHBondContact O-N 2.68Å; E151-T154 PolarHBondContact O-OG1 2.69Å; V152-T154 PolarHBondContact O-N 3.15Å |
| 155 | L | 78 | Confident | 74.3 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -68.2 | 141.8 | 177.1 | -74.9 | 171 | 0 | 0 | 0 | 111.7 | E151 V152 G157 V158 V195 | E151-L155 PolarHBondContact O-N 2.91Å; V152-L155 HydrophobicContact CB-CD1 4.29Å; V152-L155 HydrophobicContact CG1-CD1 4.45Å; V152-L155 HydrophobicContact CG2-CD1 3.94Å; V152-L155 WeakPolarHBondContact O-CB 3.43Å; V152-L155 PolarHBondContact O-N 3.01Å; L155-G157 PolarHBondContact O-N 2.88Å; L155-V158 HydrophobicContact CB-CG2 3.96Å; L155-V158 WeakPolarHBondContact O-CB 3.33Å; L155-V158 PolarHBondContact O-N 3.45Å; L155-V195 HydrophobicContact CD1-CG2 3.94Å |
| 156 | D | 70.1 | Confident | 74.6 | Confident | 145 Ų | 145 | 64.9 Ų | 64.9 | 78% | 0.775 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 129.5 | 177.6 | -168.3 | 17.3 | 0 | 0 | 0 | 110.9 | ||
| 157 | G | 73.6 | Confident | 74.6 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -17.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L155 I182 R183 | L155-G157 PolarHBondContact O-N 2.88Å; G157-I182 CarbonylContact O-C 3.52Å; G157-I182 VanDerWaalsContact O-CA 3.31Å; G157-I182 WeakPolarHBondContact O-CA 3.33Å; G157-I182 WeakPolarHBondContact O-CG2 3.29Å; G157-R183 PolarHBondContact O-N 2.67Å |
| 158 | V | 81.7 | Confident | 74.2 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 132.9 | 179.1 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | L155 V161 V180 V191 | L155-V158 HydrophobicContact CB-CG2 3.96Å; L155-V158 WeakPolarHBondContact O-CB 3.33Å; L155-V158 PolarHBondContact O-N 3.45Å; V158-V161 HydrophobicContact CG1-CG2 4.38Å; V158-V180 HydrophobicContact CB-CG1 4.43Å; V158-V180 HydrophobicContact CG1-CG1 3.74Å; V158-V180 HydrophobicContact CG2-CG1 3.89Å; V158-V191 HydrophobicContact CG2-CG1 3.73Å |
| 159 | L | 78.1 | Confident | 73.9 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 39% | 0.387 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -36.7 | 178.9 | -74.9 | 166 | 0 | 0 | 0 | 112.9 | R181 R183 D213 | L159-R181 HydrophobicContact CB-CG 4.47Å; L159-R181 HydrophobicContact CD1-CG 4.49Å; L159-R181 PolarHBondContact N-O 2.97Å; L159-R183 HydrophobicContact CD1-CB 4.39Å; L159-R183 HydrophobicContact CD1-CG 3.87Å; L159-R183 HydrophobicContact CD2-CG 3.81Å; L159-R183 HydrophobicContact CG-CG 3.64Å; L159-D213 HydrophobicContact CD1-CB 3.62Å |
| 160 | E | 79.8 | Confident | 73.3 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 149.1 | 174.2 | 52.9 | -178 | 178.7 | 0 | 0 | 109.9 | R162 R181 | E160-R162 VanDerWaalsContact CD-NH2 3.33Å; E160-R162 HydrophobicContact CG-CG 4.17Å; E160-R162 IonicContact OE1-CZ 3.24Å; E160-R162 IonicContact OE1-NE 3.09Å; E160-R162 PolarHBondContact OE1-NE 3.2Å; E160-R162 IonicContact OE1-NH2 2.71Å; E160-R162 PolarHBondContact OE1-NH2 2.96Å; E160-R162 VanDerWaalsContact OE1-NH2 3.07Å; E160-R162 IonicContact OE2-CZ 3.79Å; E160-R162 IonicContact OE2-NE 3.19Å; E160-R162 PolarHBondContact OE2-NE 3.06Å; E160-R162 IonicContact OE2-NH2 3.16Å; E160-R162 PolarHBondContact OE2-NH2 2.8Å; E160-R181 VanDerWaalsContact CD-NH2 3.31Å; E160-R181 HydrophobicContact CG-CB 3.7Å; E160-R181 PolarHBondContact O-N 2.99Å; E160-R181 IonicContact OE1-CZ 2.68Å; E160-R181 IonicContact OE1-NE 3.36Å; E160-R181 PolarHBondContact OE1-NE 3.2Å; E160-R181 IonicContact OE1-NH2 3.73Å; E160-R181 PolarHBondContact OE1-NH2 2.97Å; E160-R181 IonicContact OE2-NH2 2.67Å |
| 161 | V | 75.9 | Confident | 72.4 | Confident | 25 Ų | 25 | 69 Ų | 69 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127 | 162.3 | -171.4 | 0 | 0 | 0 | 0 | 106.6 | T149 V152 V158 E164 A178 H179 V180 | T149-V161 HydrophobicContact CG2-CB 4.43Å; T149-V161 HydrophobicContact CG2-CG1 4.25Å; V152-V161 HydrophobicContact CG1-CG2 4.07Å; V158-V161 HydrophobicContact CG1-CG2 4.38Å; V161-E164 HydrophobicContact CG1-CG 3.79Å; V161-E164 WeakPolarHBondContact CG1-OE1 3.37Å; V161-A178 HydrophobicContact CG1-CB 4.35Å; V161-H179 CarbonylContact C-O 3.5Å; V161-H179 WeakPolarHBondContact CA-O 3.4Å; V161-V180 HydrophobicContact CG1-CG2 4.48Å; V161-V180 HydrophobicContact CG2-CG2 4.49Å |
| 162 | R | 68.8 | Low | 71.7 | Confident | 143 Ų | 143 | 67.3 Ų | 67.3 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 157.9 | 179.3 | -75.5 | -162.8 | 178.4 | 178.7 | 14.5 | 110.9 | E160 E164 H179 | E160-R162 VanDerWaalsContact CD-NH2 3.33Å; E160-R162 HydrophobicContact CG-CG 4.17Å; E160-R162 IonicContact OE1-CZ 3.24Å; E160-R162 IonicContact OE1-NE 3.09Å; E160-R162 PolarHBondContact OE1-NE 3.2Å; E160-R162 IonicContact OE1-NH2 2.71Å; E160-R162 PolarHBondContact OE1-NH2 2.96Å; E160-R162 VanDerWaalsContact OE1-NH2 3.07Å; E160-R162 IonicContact OE2-CZ 3.79Å; E160-R162 IonicContact OE2-NE 3.19Å; E160-R162 PolarHBondContact OE2-NE 3.06Å; E160-R162 IonicContact OE2-NH2 3.16Å; E160-R162 PolarHBondContact OE2-NH2 2.8Å; R162-E164 VanDerWaalsContact C-N 3.28Å; R162-E164 PolarHBondContact O-N 2.97Å; R162-H179 PolarHBondContact N-O 2.91Å; R162-H179 WeakPolarHBondContact O-CB 3.35Å; R162-H179 PolarHBondContact O-N 3.42Å; R162-H179 VanDerWaalsContact O-O 3.13Å |
| 163 | N | 56.2 | Low | 71.2 | Confident | 125 Ų | 125 | 68.6 Ų | 68.6 | 67% | 0.668 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.9 | 51.3 | 172.1 | -69.6 | 24.3 | 0 | 0 | 0 | 112.2 | H165 H179 | N163-H165 PolarHBondContact O-N 3.34Å; N163-H179 VanDerWaalsContact CB-ND1 3.33Å; N163-H179 WeakPolarHBondContact CB-ND1 3.43Å; N163-H179 PolarHBondContact O-ND1 2.87Å |
| 164 | E | 75.2 | Confident | 71.2 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 34% | 0.341 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 107 | 167.7 | -74.5 | 168 | -125.8 | 0 | 0 | 109.3 | T149 V161 R162 F166 | T149-E164 HydrophobicContact CG2-CG 4.33Å; T149-E164 WeakPolarHBondContact CG2-OE1 3.36Å; T149-E164 WeakPolarHBondContact CG2-OE2 3.21Å; T149-E164 PolarHBondContact OG1-OE2 2.92Å; V161-E164 HydrophobicContact CG1-CG 3.79Å; V161-E164 WeakPolarHBondContact CG1-OE1 3.37Å; R162-E164 VanDerWaalsContact C-N 3.28Å; R162-E164 PolarHBondContact O-N 2.97Å; E164-F166 HydrophobicContact CB-CD2 4.03Å; E164-F166 HydrophobicContact CB-CE2 3.65Å; E164-F166 HydrophobicContact CG-CE2 3.82Å; E164-F166 HydrophobicContact CG-CZ 4.44Å |
| 165 | H | 73.6 | Confident | 71.4 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 38% | 0.384 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 104.8 | 171.3 | -169.1 | -100.2 | 0 | 0 | 0 | 108 | N163 W167 G176 S177 | N163-H165 PolarHBondContact O-N 3.34Å; H165-W167 HydrophobicContact CB-CZ3 4.37Å; H165-W167 AromaticContact CE1-CE3 3.69Å; H165-W167 AromaticContact ND1-CE3 3.07Å; H165-W167 AromaticContact ND1-CZ3 3.26Å; H165-W167 VanDerWaalsContact ND1-CZ3 3.26Å; H165-W167 WeakPolarHBondContact ND1-CZ3 3.36Å; H165-W167 VanDerWaalsContact O-CE3 3.25Å; H165-W167 WeakPolarHBondContact O-CZ3 3.23Å; H165-G176 CarbonylContact O-C 3.59Å; H165-G176 WeakPolarHBondContact O-CA 3.46Å; H165-S177 PolarHBondContact N-O 3.39Å; H165-S177 PolarHBondContact O-N 3.5Å |
| 166 | F | 78.1 | Confident | 71.6 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.9 | 178.2 | -64.3 | -76.1 | 0 | 0 | 0 | 110 | I137 L145 E164 L174 A175 L199 V203 L206 | I137-F166 HydrophobicContact CD1-CB 3.94Å; L145-F166 HydrophobicContact CD1-CD1 4.03Å; L145-F166 HydrophobicContact CD1-CD2 4.3Å; L145-F166 HydrophobicContact CD1-CE1 3.87Å; L145-F166 HydrophobicContact CD1-CE2 4.08Å; L145-F166 HydrophobicContact CD1-CG 4.27Å; L145-F166 HydrophobicContact CD1-CZ 3.88Å; L145-F166 HydrophobicContact CD2-CB 3.84Å; L145-F166 HydrophobicContact CD2-CD1 4.2Å; L145-F166 HydrophobicContact CD2-CD2 3.57Å; L145-F166 HydrophobicContact CD2-CE2 4.07Å; L145-F166 HydrophobicContact CD2-CG 3.63Å; L145-F166 HydrophobicContact CG-CD2 4.11Å; L145-F166 HydrophobicContact CG-CE2 4.09Å; L145-F166 HydrophobicContact CG-CG 4.37Å; L145-F166 HydrophobicContact CG-CZ 4.4Å; E164-F166 HydrophobicContact CB-CD2 4.03Å; E164-F166 HydrophobicContact CB-CE2 3.65Å; E164-F166 HydrophobicContact CG-CE2 3.82Å; E164-F166 HydrophobicContact CG-CZ 4.44Å; F166-L174 HydrophobicContact CB-CD1 4.36Å; F166-L174 HydrophobicContact CB-CD2 4.41Å; F166-L174 HydrophobicContact CD1-CD2 4.3Å; F166-A175 WeakPolarHBondContact CA-O 3.26Å; F166-L199 HydrophobicContact CE1-CD2 4.45Å; F166-L199 HydrophobicContact CZ-CD2 4.33Å; F166-V203 HydrophobicContact CD1-CG2 4.29Å; F166-V203 HydrophobicContact CE1-CG2 3.97Å; F166-L206 HydrophobicContact CE1-CD1 4.4Å |
| 167 | W | 71.3 | Confident | 72.1 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 144.3 | -179.6 | 63.5 | 95.6 | 0 | 0 | 0 | 111.1 | T135 H165 A175 | T135-W167 HydrophobicContact CG2-CB 3.71Å; H165-W167 HydrophobicContact CB-CZ3 4.37Å; H165-W167 AromaticContact CE1-CE3 3.69Å; H165-W167 AromaticContact ND1-CE3 3.07Å; H165-W167 AromaticContact ND1-CZ3 3.26Å; H165-W167 VanDerWaalsContact ND1-CZ3 3.26Å; H165-W167 WeakPolarHBondContact ND1-CZ3 3.36Å; H165-W167 VanDerWaalsContact O-CE3 3.25Å; H165-W167 WeakPolarHBondContact O-CZ3 3.23Å; W167-A175 HydrophobicContact CD2-CB 4.35Å; W167-A175 HydrophobicContact CZ2-CB 4.14Å; W167-A175 PolarHBondContact N-O 3.29Å; W167-A175 PolarHBondContact O-N 3.27Å; W167-A175 VanDerWaalsContact O-O 3.07Å |
| 168 | T | 71.5 | Confident | 72.7 | Confident | 59 Ų | 59 | 53.2 Ų | 53.2 | 36% | 0.362 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.5 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | L136 L174 | L136-T168 WeakPolarHBondContact O-CG2 3.4Å; L136-T168 PolarHBondContact O-OG1 2.82Å; T168-L174 HydrophobicContact CG2-CD1 4.07Å |
| 169 | V | 66.8 | Low | 72.8 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 56% | 0.564 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -26.5 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | S173 A175 | V169-S173 PolarHBondContact N-O 2.86Å; V169-A175 HydrophobicContact CG2-CB 3.43Å; V169-A175 VanDerWaalsContact CG2-CB 3.43Å |
| 170 | G | 62.2 | Low | 73.3 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | -179.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | G172 S173 | G170-G172 PolarHBondContact O-N 3.49Å; G170-S173 PolarHBondContact N-O 2.78Å; G170-S173 PolarHBondContact O-N 3.05Å |
| 171 | F | 55.7 | Low | 73.6 | Confident | 125 Ų | 125 | 52 Ų | 52 | 55% | 0.548 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 113.4 | 175.5 | -65.1 | -81.1 | 0 | 0 | 0 | 110.6 | P37 F38 S173 | P37-F171 HydrophobicContact CB-CB 3.79Å; P37-F171 HydrophobicContact CB-CD2 4.01Å; P37-F171 HydrophobicContact CB-CG 4.11Å; P37-F171 HydrophobicContact CG-CD2 3.96Å; F38-F171 HydrophobicContact CD2-CE2 4.4Å; F38-F171 HydrophobicContact CE1-CE1 4.24Å; F38-F171 HydrophobicContact CE1-CE2 4.23Å; F38-F171 AromaticContact CE1-CZ 3.68Å; F38-F171 HydrophobicContact CE1-CZ 3.68Å; F38-F171 HydrophobicContact CE2-CD2 4.27Å; F38-F171 AromaticContact CE2-CE2 3.52Å; F38-F171 HydrophobicContact CE2-CE2 3.52Å; F38-F171 AromaticContact CE2-CZ 3.86Å; F38-F171 HydrophobicContact CE2-CZ 3.86Å; F38-F171 HydrophobicContact CZ-CD2 4.48Å; F38-F171 HydrophobicContact CZ-CE1 4.22Å; F38-F171 AromaticContact CZ-CE2 3.43Å; F38-F171 HydrophobicContact CZ-CE2 3.43Å; F38-F171 VanDerWaalsContact CZ-CE2 3.43Å; F38-F171 AromaticContact CZ-CZ 3.27Å; F38-F171 HydrophobicContact CZ-CZ 3.27Å; F171-S173 VanDerWaalsContact C-N 3.27Å; F171-S173 PolarHBondContact O-N 2.9Å |
| 172 | G | 64.9 | Low | 74.3 | Confident | 52 Ų | 52 | 50.8 Ų | 50.8 | 54% | 0.536 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 7.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G170 | G170-G172 PolarHBondContact O-N 3.49Š|
| 173 | S | 63.7 | Low | 74.9 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 111.4 | -179.4 | 165.3 | 0 | 0 | 0 | 0 | 110.5 | V169 G170 F171 T204 | V169-S173 PolarHBondContact N-O 2.86Å; G170-S173 PolarHBondContact N-O 2.78Å; G170-S173 PolarHBondContact O-N 3.05Å; F171-S173 VanDerWaalsContact C-N 3.27Å; F171-S173 PolarHBondContact O-N 2.9Å; S173-T204 PolarHBondContact OG-OG1 2.78Å |
| 174 | L | 75.1 | Confident | 76 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.5 | 173.8 | -168 | 71.4 | 0 | 0 | 0 | 109.2 | I137 L145 F166 T168 V203 T204 | I137-L174 HydrophobicContact CG1-CD1 4.3Å; L145-L174 HydrophobicContact CD1-CD2 3.76Å; L145-L174 HydrophobicContact CD2-CD2 3.76Å; L145-L174 HydrophobicContact CG-CD2 4.31Å; F166-L174 HydrophobicContact CB-CD1 4.36Å; F166-L174 HydrophobicContact CB-CD2 4.41Å; F166-L174 HydrophobicContact CD1-CD2 4.3Å; T168-L174 HydrophobicContact CG2-CD1 4.07Å; L174-V203 HydrophobicContact CD2-CG2 4.16Å; L174-V203 CarbonylContact O-C 3.56Å; L174-V203 VanDerWaalsContact O-CA 3.31Å; L174-V203 WeakPolarHBondContact O-CA 3.38Å; L174-V203 WeakPolarHBondContact O-CG1 3.5Å; L174-T204 PolarHBondContact O-N 2.71Å; L174-T204 PolarHBondContact O-OG1 2.8Å; L174-T204 VanDerWaalsContact O-OG1 3.12Å |
| 175 | A | 80 | Confident | 76.3 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 160.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | F166 W167 V169 T205 | F166-A175 WeakPolarHBondContact CA-O 3.26Å; W167-A175 HydrophobicContact CD2-CB 4.35Å; W167-A175 HydrophobicContact CZ2-CB 4.14Å; W167-A175 PolarHBondContact N-O 3.29Å; W167-A175 PolarHBondContact O-N 3.27Å; W167-A175 VanDerWaalsContact O-O 3.07Å; V169-A175 HydrophobicContact CG2-CB 3.43Å; V169-A175 VanDerWaalsContact CG2-CB 3.43Å; A175-T205 CarbonylContact C-O 3.41Å; A175-T205 VanDerWaalsContact CA-O 3.23Å; A175-T205 WeakPolarHBondContact CA-O 3.46Å; A175-T205 WeakPolarHBondContact CB-O 3.45Å |
| 176 | G | 81.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 160.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H165 T205 L206 T207 | H165-G176 CarbonylContact O-C 3.59Å; H165-G176 WeakPolarHBondContact O-CA 3.46Å; G176-T205 PolarHBondContact N-O 2.95Å; G176-L206 WeakPolarHBondContact O-CA 3.49Å; G176-T207 PolarHBondContact O-N 2.81Å |
| 177 | S | 80.6 | Confident | 77.2 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.2 | 168.2 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | H165 T207 | H165-S177 PolarHBondContact N-O 3.39Å; H165-S177 PolarHBondContact O-N 3.5Å; S177-T207 WeakPolarHBondContact CA-O 3.02Å; S177-T207 WeakPolarHBondContact CA-OG1 3.4Å; S177-T207 VanDerWaalsContact CB-OG1 3.23Å; S177-T207 WeakPolarHBondContact CB-OG1 3.44Å; S177-T207 PolarHBondContact OG-O 3.23Å; S177-T207 PolarHBondContact OG-OG1 2.9Å; S177-T207 VanDerWaalsContact OG-OG1 3.07Å |
| 178 | A | 84.7 | Confident | 77.9 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V161 T207 V208 Q209 | V161-A178 HydrophobicContact CG1-CB 4.35Å; A178-T207 PolarHBondContact N-O 3.29Å; A178-T207 VanDerWaalsContact N-O 3.09Å; A178-V208 WeakPolarHBondContact O-CA 3.43Å; A178-Q209 PolarHBondContact O-N 3.24Å |
| 179 | H | 85.5 | Confident | 78.7 | Confident | 39 Ų | 39 | 56 Ų | 56 | 18% | 0.181 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.6 | 177.4 | -52 | 76.9 | 0 | 0 | 0 | 108.2 | V161 R162 N163 Q209 F211 | V161-H179 CarbonylContact C-O 3.5Å; V161-H179 WeakPolarHBondContact CA-O 3.4Å; R162-H179 PolarHBondContact N-O 2.91Å; R162-H179 WeakPolarHBondContact O-CB 3.35Å; R162-H179 PolarHBondContact O-N 3.42Å; R162-H179 VanDerWaalsContact O-O 3.13Å; N163-H179 VanDerWaalsContact CB-ND1 3.33Å; N163-H179 WeakPolarHBondContact CB-ND1 3.43Å; N163-H179 PolarHBondContact O-ND1 2.87Å; H179-Q209 CarbonylContact C-O 3.41Å; H179-Q209 WeakPolarHBondContact CA-O 3.38Å; H179-Q209 PolarHBondContact CD2-OE1 3.13Å; H179-Q209 VanDerWaalsContact CD2-OE1 3.23Å; H179-Q209 PolarHBondContact NE2-OE1 3.26Å; H179-F211 HydrophobicContact CB-CD2 4.37Å; H179-F211 HydrophobicContact CB-CE2 4.08Å; H179-F211 AromaticContact CD2-CE2 3.81Å |
| 180 | V | 87.8 | Confident | 79.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.1 | -174.9 | -176 | 0 | 0 | 0 | 0 | 108.5 | V158 V161 I182 V195 V208 Q209 I210 F211 | V158-V180 HydrophobicContact CB-CG1 4.43Å; V158-V180 HydrophobicContact CG1-CG1 3.74Å; V158-V180 HydrophobicContact CG2-CG1 3.89Å; V161-V180 HydrophobicContact CG1-CG2 4.48Å; V161-V180 HydrophobicContact CG2-CG2 4.49Å; V180-I182 HydrophobicContact CG1-CD1 4.41Å; V180-I182 HydrophobicContact CG1-CG1 3.95Å; V180-V195 HydrophobicContact CG2-CG1 4.41Å; V180-V208 HydrophobicContact CG2-CG1 3.83Å; V180-Q209 PolarHBondContact N-O 2.84Å; V180-I210 WeakPolarHBondContact O-CA 3.31Å; V180-F211 PolarHBondContact O-N 3.23Å |
| 181 | R | 86.8 | Confident | 80.8 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131 | 170.4 | -173.1 | 170.5 | 56.6 | 102.4 | 9.3 | 109.5 | L159 E160 F211 D213 | L159-R181 HydrophobicContact CB-CG 4.47Å; L159-R181 HydrophobicContact CD1-CG 4.49Å; L159-R181 PolarHBondContact N-O 2.97Å; E160-R181 VanDerWaalsContact CD-NH2 3.31Å; E160-R181 HydrophobicContact CG-CB 3.7Å; E160-R181 PolarHBondContact O-N 2.99Å; E160-R181 IonicContact OE1-CZ 2.68Å; E160-R181 IonicContact OE1-NE 3.36Å; E160-R181 PolarHBondContact OE1-NE 3.2Å; E160-R181 IonicContact OE1-NH2 3.73Å; E160-R181 PolarHBondContact OE1-NH2 2.97Å; E160-R181 IonicContact OE2-NH2 2.67Å; R181-F211 CarbonylContact C-O 3.53Å; R181-F211 VanDerWaalsContact CA-O 3.28Å; R181-F211 WeakPolarHBondContact CA-O 3.45Å; R181-D213 HydrophobicContact CG-CB 4.41Å; R181-D213 IonicContact CZ-OD1 3.84Å; R181-D213 IonicContact NH1-OD1 3.66Å; R181-D213 PolarHBondContact NH1-OD1 3.31Å |
| 182 | I | 89.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.4 | -171.9 | -59.9 | -172.7 | 0 | 0 | 0 | 110 | G157 V180 A186 V191 I210 F211 D213 | G157-I182 CarbonylContact O-C 3.52Å; G157-I182 VanDerWaalsContact O-CA 3.31Å; G157-I182 WeakPolarHBondContact O-CA 3.33Å; G157-I182 WeakPolarHBondContact O-CG2 3.29Å; V180-I182 HydrophobicContact CG1-CD1 4.41Å; V180-I182 HydrophobicContact CG1-CG1 3.95Å; I182-A186 HydrophobicContact CG2-CB 3.64Å; I182-V191 HydrophobicContact CD1-CB 3.67Å; I182-V191 HydrophobicContact CD1-CG1 3.45Å; I182-V191 VanDerWaalsContact CD1-CG1 3.45Å; I182-V191 HydrophobicContact CD1-CG2 4.28Å; I182-V191 HydrophobicContact CG1-CG1 4.23Å; I182-V191 HydrophobicContact CG2-CG2 4.5Å; I182-I210 HydrophobicContact CD1-CB 4.3Å; I182-I210 HydrophobicContact CD1-CD1 3.72Å; I182-I210 HydrophobicContact CD1-CG1 3.84Å; I182-I210 HydrophobicContact CD1-CG2 3.54Å; I182-I210 HydrophobicContact CG1-CG2 4.1Å; I182-F211 PolarHBondContact N-O 3.09Å; I182-D213 PolarHBondContact O-N 3.14Å |
| 183 | R | 82.1 | Confident | 83.3 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | trans | -60.7 | 153 | 173.9 | -63.5 | 173 | 45.3 | 161.1 | -3.4 | 112 | G157 L159 D185 A186 | G157-R183 PolarHBondContact O-N 2.67Å; L159-R183 HydrophobicContact CD1-CB 4.39Å; L159-R183 HydrophobicContact CD1-CG 3.87Å; L159-R183 HydrophobicContact CD2-CG 3.81Å; L159-R183 HydrophobicContact CG-CG 3.64Å; R183-D185 WeakPolarHBondContact CB-OD1 3.25Å; R183-D185 IonicContact CZ-OD1 3.6Å; R183-D185 IonicContact CZ-OD2 3.48Å; R183-D185 IonicContact NE-OD1 2.93Å; R183-D185 PolarHBondContact NE-OD1 2.78Å; R183-D185 IonicContact NE-OD2 3.61Å; R183-D185 IonicContact NH2-OD1 3.43Å; R183-D185 PolarHBondContact NH2-OD1 2.96Å; R183-D185 IonicContact NH2-OD2 2.68Å; R183-D185 PolarHBondContact NH2-OD2 2.79Å; R183-D185 PolarHBondContact O-N 3.24Å; R183-A186 HydrophobicContact CB-CB 4.48Å; R183-A186 PolarHBondContact O-N 2.71Å | ||
| 184 | R | 79.6 | Confident | 84.4 | Confident | 134 Ų | 134 | 54 Ų | 54 | 51% | 0.506 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.2 | -178.4 | -67.4 | 175 | -125 | 138.8 | 11.7 | 114 | K212 D213 W215 | R184-K212 WeakPolarHBondContact O-CE 3.49Å; R184-D213 VanDerWaalsContact CD-O 3.25Å; R184-D213 WeakPolarHBondContact CD-O 3.44Å; R184-D213 HydrophobicContact CG-CB 4.48Å; R184-D213 WeakPolarHBondContact CG-O 2.9Å; R184-D213 IonicContact CZ-OD2 2.79Å; R184-D213 PolarHBondContact NE-O 3.38Å; R184-D213 IonicContact NE-OD2 3.17Å; R184-D213 IonicContact NH2-OD2 2.71Å; R184-D213 PolarHBondContact NH2-OD2 3.07Å; R184-D213 VanDerWaalsContact NH2-OD2 3.09Å; R184-W215 VanDerWaalsContact CZ-CD1 3.48Å |
| 185 | D | 81.6 | Confident | 84.8 | Confident | 113 Ų | 113 | 53.9 Ų | 53.9 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -10.5 | -177.9 | 57.5 | -37.8 | 0 | 0 | 0 | 114.2 | R183 | R183-D185 WeakPolarHBondContact CB-OD1 3.25Å; R183-D185 IonicContact CZ-OD1 3.6Å; R183-D185 IonicContact CZ-OD2 3.48Å; R183-D185 IonicContact NE-OD1 2.93Å; R183-D185 PolarHBondContact NE-OD1 2.78Å; R183-D185 IonicContact NE-OD2 3.61Å; R183-D185 IonicContact NH2-OD1 3.43Å; R183-D185 PolarHBondContact NH2-OD1 2.96Å; R183-D185 IonicContact NH2-OD2 2.68Å; R183-D185 PolarHBondContact NH2-OD2 2.79Å; R183-D185 PolarHBondContact O-N 3.24Å |
| 186 | A | 84.6 | Confident | 85.1 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -85.8 | 148.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I182 R183 E188 V191 | I182-A186 HydrophobicContact CG2-CB 3.64Å; R183-A186 HydrophobicContact CB-CB 4.48Å; R183-A186 PolarHBondContact O-N 2.71Å; A186-E188 PolarHBondContact O-N 3.16Å; A186-V191 HydrophobicContact CB-CG2 4.44Å |
| 187 | N | 85.3 | Confident | 85.3 | Confident | 94 Ų | 94 | 60.9 Ų | 60.9 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | trans | -80.7 | 109.6 | 176.5 | -179.7 | -13.5 | 0 | 0 | 0 | 110.7 | Q189 L190 V191 | N187-Q189 VanDerWaalsContact C-N 3.31Å; N187-Q189 PolarHBondContact O-N 3.38Å; N187-Q189 PolarHBondContact OD1-N 3.04Å; N187-L190 HydrophobicContact CB-CB 3.99Å; N187-L190 PolarHBondContact O-N 2.96Å; N187-L190 VanDerWaalsContact O-N 3.16Å; N187-L190 PolarHBondContact OD1-N 3.48Å; N187-V191 WeakPolarHBondContact O-CG2 3.23Å; N187-V191 PolarHBondContact O-N 3.47Å | ||
| 188 | E | 86.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.6 | -41.5 | -179 | -67.3 | 157.5 | -132.2 | 0 | 0 | 113.3 | A186 L192 I210 K212 | A186-E188 PolarHBondContact O-N 3.16Å; E188-L192 VanDerWaalsContact O-CB 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.01Å; E188-I210 HydrophobicContact CB-CG2 4.33Å; E188-I210 HydrophobicContact CG-CG2 4.08Å; E188-I210 WeakPolarHBondContact O-CD1 3.45Å; E188-K212 WeakPolarHBondContact OE1-CD 3.19Å; E188-K212 WeakPolarHBondContact OE1-CE 3.28Å; E188-K212 IonicContact OE1-NZ 2.78Å; E188-K212 PolarHBondContact OE1-NZ 3.4Å |
| 189 | Q | 88.6 | Confident | 85.1 | Confident | 156 Ų | 156 | 66.6 Ų | 66.6 | 73% | 0.729 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -71.4 | -36.4 | -179.2 | -68.1 | -172.8 | -18.8 | 0 | 0 | 112.4 | N187 A193 | N187-Q189 VanDerWaalsContact C-N 3.31Å; N187-Q189 PolarHBondContact O-N 3.38Å; N187-Q189 PolarHBondContact OD1-N 3.04Å; Q189-A193 WeakPolarHBondContact O-CB 3.5Å; Q189-A193 PolarHBondContact O-N 3.16Å |
| 190 | L | 86.9 | Confident | 84.8 | Confident | 110 Ų | 110 | 68.8 Ų | 68.8 | 58% | 0.576 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.2 | -46.8 | 177 | -171.5 | 159 | 0 | 0 | 0 | 110.3 | N187 A193 H194 | N187-L190 HydrophobicContact CB-CB 3.99Å; N187-L190 PolarHBondContact O-N 2.96Å; N187-L190 VanDerWaalsContact O-N 3.16Å; N187-L190 PolarHBondContact OD1-N 3.48Å; L190-A193 PolarHBondContact O-N 3.03Å; L190-H194 WeakPolarHBondContact O-CB 3.48Å; L190-H194 PolarHBondContact O-N 2.86Å |
| 191 | V | 85.4 | Confident | 84.4 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 177 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | V158 I182 A186 N187 A193 H194 V195 | V158-V191 HydrophobicContact CG2-CG1 3.73Å; I182-V191 HydrophobicContact CD1-CB 3.67Å; I182-V191 HydrophobicContact CD1-CG1 3.45Å; I182-V191 VanDerWaalsContact CD1-CG1 3.45Å; I182-V191 HydrophobicContact CD1-CG2 4.28Å; I182-V191 HydrophobicContact CG1-CG1 4.23Å; I182-V191 HydrophobicContact CG2-CG2 4.5Å; A186-V191 HydrophobicContact CB-CG2 4.44Å; N187-V191 WeakPolarHBondContact O-CG2 3.23Å; N187-V191 PolarHBondContact O-N 3.47Å; V191-A193 VanDerWaalsContact C-N 3.35Å; V191-A193 PolarHBondContact O-N 3.28Å; V191-H194 PolarHBondContact O-N 3.5Å; V191-V195 HydrophobicContact CG1-CG2 3.95Å; V191-V195 WeakPolarHBondContact O-CB 3.14Å; V191-V195 VanDerWaalsContact O-CG2 3.27Å; V191-V195 WeakPolarHBondContact O-CG2 3.11Å; V191-V195 PolarHBondContact O-N 3.41Å |
| 192 | L | 87.8 | Confident | 83.7 | Confident | 66 Ų | 66 | 71.9 Ų | 71.9 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.1 | -49.8 | 174.6 | -174.8 | 56.9 | 0 | 0 | 0 | 111.9 | E188 H194 T196 V208 I210 | E188-L192 VanDerWaalsContact O-CB 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.01Å; L192-H194 VanDerWaalsContact C-N 3.35Å; L192-H194 PolarHBondContact O-N 3.19Å; L192-T196 WeakPolarHBondContact O-CB 3.38Å; L192-T196 PolarHBondContact O-N 3.37Å; L192-T196 PolarHBondContact O-OG1 3.16Å; L192-V208 HydrophobicContact CD1-CB 3.75Å; L192-V208 HydrophobicContact CD1-CG1 3.91Å; L192-I210 HydrophobicContact CB-CD1 3.5Å; L192-I210 VanDerWaalsContact CB-CD1 3.5Å; L192-I210 HydrophobicContact CD1-CD1 3.78Å; L192-I210 HydrophobicContact CD1-CG1 4.43Å; L192-I210 HydrophobicContact CG-CD1 4.11Å |
| 193 | A | 86.1 | Confident | 83.1 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q189 L190 V191 N197 | Q189-A193 WeakPolarHBondContact O-CB 3.5Å; Q189-A193 PolarHBondContact O-N 3.16Å; L190-A193 PolarHBondContact O-N 3.03Å; V191-A193 VanDerWaalsContact C-N 3.35Å; V191-A193 PolarHBondContact O-N 3.28Å; A193-N197 VanDerWaalsContact O-CB 3.27Å; A193-N197 WeakPolarHBondContact O-CB 3.27Å; A193-N197 PolarHBondContact O-N 3.1Å; A193-N197 PolarHBondContact O-ND2 3.06Å; A193-N197 VanDerWaalsContact O-ND2 3.16Å |
| 194 | H | 84.9 | Confident | 82.8 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.7 | -48 | 179.2 | -154.5 | 102.9 | 0 | 0 | 0 | 112.1 | L190 V191 L192 T196 N197 R198 | L190-H194 WeakPolarHBondContact O-CB 3.48Å; L190-H194 PolarHBondContact O-N 2.86Å; V191-H194 PolarHBondContact O-N 3.5Å; L192-H194 VanDerWaalsContact C-N 3.35Å; L192-H194 PolarHBondContact O-N 3.19Å; H194-T196 PolarHBondContact O-N 2.84Å; H194-N197 PolarHBondContact O-N 3.22Å; H194-R198 PolarHBondContact NE2-NE 3.37Å; H194-R198 VanDerWaalsContact NE2-NE 3.14Å; H194-R198 PolarHBondContact NE2-NH2 2.94Å; H194-R198 VanDerWaalsContact O-CG 3.27Å; H194-R198 WeakPolarHBondContact O-CG 3.35Å; H194-R198 PolarHBondContact O-N 3.19Å; H194-R198 VanDerWaalsContact O-N 3.1Å |
| 195 | V | 85 | Confident | 82.7 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | V152 L155 V180 V191 N197 R198 L199 V208 | V152-V195 HydrophobicContact CG1-CG1 3.97Å; V152-V195 HydrophobicContact CG1-CG2 3.92Å; L155-V195 HydrophobicContact CD1-CG2 3.94Å; V180-V195 HydrophobicContact CG2-CG1 4.41Å; V191-V195 HydrophobicContact CG1-CG2 3.95Å; V191-V195 WeakPolarHBondContact O-CB 3.14Å; V191-V195 VanDerWaalsContact O-CG2 3.27Å; V191-V195 WeakPolarHBondContact O-CG2 3.11Å; V191-V195 PolarHBondContact O-N 3.41Å; V195-N197 PolarHBondContact O-N 3.48Å; V195-R198 PolarHBondContact O-N 3.31Å; V195-R198 VanDerWaalsContact O-N 3.16Å; V195-L199 HydrophobicContact CG1-CD1 4.33Å; V195-L199 WeakPolarHBondContact O-CD1 3.46Å; V195-L199 PolarHBondContact O-N 2.92Å; V195-V208 HydrophobicContact CG1-CG1 4.18Å; V195-V208 HydrophobicContact CG1-CG2 4.13Å |
| 196 | T | 85.1 | Confident | 82.6 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 23% | 0.233 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | -179.1 | -55.7 | 0 | 0 | 0 | 0 | 111 | L192 H194 R198 L199 L200 | L192-T196 WeakPolarHBondContact O-CB 3.38Å; L192-T196 PolarHBondContact O-N 3.37Å; L192-T196 PolarHBondContact O-OG1 3.16Å; H194-T196 PolarHBondContact O-N 2.84Å; T196-R198 PolarHBondContact O-N 3.27Å; T196-L199 PolarHBondContact O-N 3.25Å; T196-L200 HydrophobicContact CG2-CD1 3.77Å; T196-L200 HydrophobicContact CG2-CG 3.9Å; T196-L200 WeakPolarHBondContact O-CB 3.49Å; T196-L200 VanDerWaalsContact O-CG 3.23Å; T196-L200 WeakPolarHBondContact O-CG 3.27Å; T196-L200 PolarHBondContact O-N 2.9Å |
| 197 | N | 85.8 | Confident | 82.6 | Confident | 112 Ų | 112 | 67 Ų | 67 | 60% | 0.599 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.9 | -26.6 | 177.1 | -74.7 | -24.8 | 0 | 0 | 0 | 113.7 | A193 H194 V195 P201 | A193-N197 VanDerWaalsContact O-CB 3.27Å; A193-N197 WeakPolarHBondContact O-CB 3.27Å; A193-N197 PolarHBondContact O-N 3.1Å; A193-N197 PolarHBondContact O-ND2 3.06Å; A193-N197 VanDerWaalsContact O-ND2 3.16Å; H194-N197 PolarHBondContact O-N 3.22Å; V195-N197 PolarHBondContact O-N 3.48Å; N197-P201 WeakPolarHBondContact O-CD 3.47Å |
| 198 | R | 81.8 | Confident | 82.6 | Confident | 134 Ų | 134 | 63.8 Ų | 63.8 | 51% | 0.506 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -80.7 | -33 | 175.7 | -66.7 | -66.9 | 179 | -174.6 | 2.2 | 113.2 | V152 H194 V195 T196 P201 | V152-R198 HydrophobicContact CG2-CB 3.95Å; V152-R198 HydrophobicContact CG2-CG 4.48Å; H194-R198 PolarHBondContact NE2-NE 3.37Å; H194-R198 VanDerWaalsContact NE2-NE 3.14Å; H194-R198 PolarHBondContact NE2-NH2 2.94Å; H194-R198 VanDerWaalsContact O-CG 3.27Å; H194-R198 WeakPolarHBondContact O-CG 3.35Å; H194-R198 PolarHBondContact O-N 3.19Å; H194-R198 VanDerWaalsContact O-N 3.1Å; V195-R198 PolarHBondContact O-N 3.31Å; V195-R198 VanDerWaalsContact O-N 3.16Å; T196-R198 PolarHBondContact O-N 3.27Å; R198-P201 WeakPolarHBondContact O-CD 3.43Å |
| 199 | L | 79.6 | Confident | 82.6 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -91 | -30.1 | -177.9 | -88.3 | 69.8 | 0 | 0 | 0 | 113.8 | I148 V152 F166 V195 T196 P201 L202 V203 L206 | I148-L199 HydrophobicContact CG2-CD1 3.79Å; I148-L199 HydrophobicContact CG2-CG 4.24Å; V152-L199 HydrophobicContact CB-CD1 4.32Å; V152-L199 HydrophobicContact CG2-CD1 3.51Å; F166-L199 HydrophobicContact CE1-CD2 4.45Å; F166-L199 HydrophobicContact CZ-CD2 4.33Å; V195-L199 HydrophobicContact CG1-CD1 4.33Å; V195-L199 WeakPolarHBondContact O-CD1 3.46Å; V195-L199 PolarHBondContact O-N 2.92Å; T196-L199 PolarHBondContact O-N 3.25Å; L199-P201 VanDerWaalsContact C-N 3.32Å; L199-L202 PolarHBondContact O-N 3.24Å; L199-V203 HydrophobicContact CB-CG2 4.42Å; L199-V203 PolarHBondContact O-N 3.38Å; L199-L206 HydrophobicContact CB-CD1 4.31Å; L199-L206 HydrophobicContact CB-CD2 3.48Å; L199-L206 VanDerWaalsContact CB-CD2 3.48Å; L199-L206 HydrophobicContact CD2-CD1 3.64Å; L199-L206 HydrophobicContact CD2-CD2 3.98Å; L199-L206 HydrophobicContact CD2-CG 4.47Å; L199-L206 HydrophobicContact CG-CD2 4.36Å |
| 200 | L | 80.5 | Confident | 82.4 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 45% | 0.45 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -36 | 178.5 | -84 | 173.1 | 0 | 0 | 0 | 115.7 | T196 L202 | T196-L200 HydrophobicContact CG2-CD1 3.77Å; T196-L200 HydrophobicContact CG2-CG 3.9Å; T196-L200 WeakPolarHBondContact O-CB 3.49Å; T196-L200 VanDerWaalsContact O-CG 3.23Å; T196-L200 WeakPolarHBondContact O-CG 3.27Å; T196-L200 PolarHBondContact O-N 2.9Å; L200-L202 PolarHBondContact O-N 3.2Å; L200-L202 VanDerWaalsContact O-N 3.1Å |
| 201 | P | 79.5 | Confident | 82.3 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.5 | 177 | -24.3 | 35.6 | 0 | 0 | 0 | 115.2 | N197 R198 L199 | N197-P201 WeakPolarHBondContact O-CD 3.47Å; R198-P201 WeakPolarHBondContact O-CD 3.43Å; L199-P201 VanDerWaalsContact C-N 3.32Å |
| 202 | L | 72.1 | Confident | 82.3 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -33.4 | 178.1 | -64.2 | 178.8 | 0 | 0 | 0 | 113.4 | R144 I148 L199 L200 | R144-L202 HydrophobicContact CB-CD1 4.43Å; R144-L202 HydrophobicContact CG-CD1 3.75Å; R144-L202 HydrophobicContact CG-CD2 4.49Å; I148-L202 HydrophobicContact CD1-CD1 3.42Å; I148-L202 VanDerWaalsContact CD1-CD1 3.42Å; I148-L202 HydrophobicContact CD1-CG 4.34Å; L199-L202 PolarHBondContact O-N 3.24Å; L200-L202 PolarHBondContact O-N 3.2Å; L200-L202 VanDerWaalsContact O-N 3.1Å |
| 203 | V | 76.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 100.7 | -177.6 | -168.7 | 0 | 0 | 0 | 0 | 108.7 | L145 F166 L174 L199 T205 L206 | L145-V203 HydrophobicContact CD1-CG2 4.2Å; F166-V203 HydrophobicContact CD1-CG2 4.29Å; F166-V203 HydrophobicContact CE1-CG2 3.97Å; L174-V203 HydrophobicContact CD2-CG2 4.16Å; L174-V203 CarbonylContact O-C 3.56Å; L174-V203 VanDerWaalsContact O-CA 3.31Å; L174-V203 WeakPolarHBondContact O-CA 3.38Å; L174-V203 WeakPolarHBondContact O-CG1 3.5Å; L199-V203 HydrophobicContact CB-CG2 4.42Å; L199-V203 PolarHBondContact O-N 3.38Å; V203-T205 WeakPolarHBondContact CG1-O 3.27Å; V203-T205 PolarHBondContact O-N 2.84Å; V203-L206 HydrophobicContact CB-CB 4.22Å; V203-L206 HydrophobicContact CB-CD1 4.19Å; V203-L206 HydrophobicContact CG1-CB 3.84Å; V203-L206 HydrophobicContact CG1-CD1 3.85Å; V203-L206 HydrophobicContact CG1-CG 4.46Å; V203-L206 HydrophobicContact CG2-CD1 4.4Å |
| 204 | T | 75.7 | Confident | 81 | Confident | 79 Ų | 79 | 64 Ų | 64 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -23.4 | -177.8 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | S173 L174 | S173-T204 PolarHBondContact OG-OG1 2.78Å; L174-T204 PolarHBondContact O-N 2.71Å; L174-T204 PolarHBondContact O-OG1 2.8Å; L174-T204 VanDerWaalsContact O-OG1 3.12Å |
| 205 | T | 76.6 | Confident | 79.6 | Confident | 84 Ų | 84 | 69.7 Ų | 69.7 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 95.4 | 176.5 | -49.7 | 0 | 0 | 0 | 0 | 108.8 | A175 G176 V203 | A175-T205 CarbonylContact C-O 3.41Å; A175-T205 VanDerWaalsContact CA-O 3.23Å; A175-T205 WeakPolarHBondContact CA-O 3.46Å; A175-T205 WeakPolarHBondContact CB-O 3.45Å; G176-T205 PolarHBondContact N-O 2.95Å; V203-T205 WeakPolarHBondContact CG1-O 3.27Å; V203-T205 PolarHBondContact O-N 2.84Å |
| 206 | L | 80.9 | Confident | 77.9 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.6 | -175.3 | -177.4 | 73.3 | 0 | 0 | 0 | 110.9 | F166 G176 L199 V203 V208 | F166-L206 HydrophobicContact CE1-CD1 4.4Å; G176-L206 WeakPolarHBondContact O-CA 3.49Å; L199-L206 HydrophobicContact CB-CD1 4.31Å; L199-L206 HydrophobicContact CB-CD2 3.48Å; L199-L206 VanDerWaalsContact CB-CD2 3.48Å; L199-L206 HydrophobicContact CD2-CD1 3.64Å; L199-L206 HydrophobicContact CD2-CD2 3.98Å; L199-L206 HydrophobicContact CD2-CG 4.47Å; L199-L206 HydrophobicContact CG-CD2 4.36Å; V203-L206 HydrophobicContact CB-CB 4.22Å; V203-L206 HydrophobicContact CB-CD1 4.19Å; V203-L206 HydrophobicContact CG1-CB 3.84Å; V203-L206 HydrophobicContact CG1-CD1 3.85Å; V203-L206 HydrophobicContact CG1-CG 4.46Å; V203-L206 HydrophobicContact CG2-CD1 4.4Å; L206-V208 HydrophobicContact CD1-CG2 4.35Å; L206-V208 HydrophobicContact CD2-CG2 3.45Å; L206-V208 VanDerWaalsContact CD2-CG2 3.45Å; L206-V208 HydrophobicContact CG-CG2 3.69Å |
| 207 | T | 83.1 | Confident | 76.2 | Confident | 74 Ų | 74 | 83.2 Ų | 83.2 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 103.9 | 167.6 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | G176 S177 A178 | G176-T207 PolarHBondContact O-N 2.81Å; S177-T207 WeakPolarHBondContact CA-O 3.02Å; S177-T207 WeakPolarHBondContact CA-OG1 3.4Å; S177-T207 VanDerWaalsContact CB-OG1 3.23Å; S177-T207 WeakPolarHBondContact CB-OG1 3.44Å; S177-T207 PolarHBondContact OG-O 3.23Å; S177-T207 PolarHBondContact OG-OG1 2.9Å; S177-T207 VanDerWaalsContact OG-OG1 3.07Å; A178-T207 PolarHBondContact N-O 3.29Å; A178-T207 VanDerWaalsContact N-O 3.09Å |
| 208 | V | 85.4 | Confident | 74.2 | Confident | 26 Ų | 26 | 83 Ų | 83 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.2 | 174.5 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | A178 V180 L192 V195 L206 I210 | A178-V208 WeakPolarHBondContact O-CA 3.43Å; V180-V208 HydrophobicContact CG2-CG1 3.83Å; L192-V208 HydrophobicContact CD1-CB 3.75Å; L192-V208 HydrophobicContact CD1-CG1 3.91Å; V195-V208 HydrophobicContact CG1-CG1 4.18Å; V195-V208 HydrophobicContact CG1-CG2 4.13Å; L206-V208 HydrophobicContact CD1-CG2 4.35Å; L206-V208 HydrophobicContact CD2-CG2 3.45Å; L206-V208 VanDerWaalsContact CD2-CG2 3.45Å; L206-V208 HydrophobicContact CG-CG2 3.69Å; V208-I210 HydrophobicContact CG1-CG1 4.37Å |
| 209 | Q | 86.6 | Confident | 72.6 | Confident | 95 Ų | 95 | 84.1 Ų | 84.1 | 44% | 0.444 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134 | 168.7 | -64.9 | -168.2 | 7 | 0 | 0 | 109.4 | A178 H179 V180 F211 | A178-Q209 PolarHBondContact O-N 3.24Å; H179-Q209 CarbonylContact C-O 3.41Å; H179-Q209 WeakPolarHBondContact CA-O 3.38Å; H179-Q209 PolarHBondContact CD2-OE1 3.13Å; H179-Q209 VanDerWaalsContact CD2-OE1 3.23Å; H179-Q209 PolarHBondContact NE2-OE1 3.26Å; V180-Q209 PolarHBondContact N-O 2.84Å; Q209-F211 HydrophobicContact CB-CE2 4.48Å |
| 210 | I | 85.9 | Confident | 71.2 | Confident | 42 Ų | 42 | 91.2 Ų | 91.2 | 22% | 0.215 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.6 | -179.9 | -75.7 | 173.8 | 0 | 0 | 0 | 109.7 | V180 I182 E188 L192 V208 | V180-I210 WeakPolarHBondContact O-CA 3.31Å; I182-I210 HydrophobicContact CD1-CB 4.3Å; I182-I210 HydrophobicContact CD1-CD1 3.72Å; I182-I210 HydrophobicContact CD1-CG1 3.84Å; I182-I210 HydrophobicContact CD1-CG2 3.54Å; I182-I210 HydrophobicContact CG1-CG2 4.1Å; E188-I210 HydrophobicContact CB-CG2 4.33Å; E188-I210 HydrophobicContact CG-CG2 4.08Å; E188-I210 WeakPolarHBondContact O-CD1 3.45Å; L192-I210 HydrophobicContact CB-CD1 3.5Å; L192-I210 VanDerWaalsContact CB-CD1 3.5Å; L192-I210 HydrophobicContact CD1-CD1 3.78Å; L192-I210 HydrophobicContact CD1-CG1 4.43Å; L192-I210 HydrophobicContact CG-CD1 4.11Å; V208-I210 HydrophobicContact CG1-CG1 4.37Å |
| 211 | F | 84.7 | Confident | 69.5 | Low | 112 Ų | 112 | 92.9 Ų | 92.9 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.1 | 169.6 | -64.2 | -71.4 | 0 | 0 | 0 | 109.7 | H179 V180 R181 I182 Q209 | H179-F211 HydrophobicContact CB-CD2 4.37Å; H179-F211 HydrophobicContact CB-CE2 4.08Å; H179-F211 AromaticContact CD2-CE2 3.81Å; V180-F211 PolarHBondContact O-N 3.23Å; R181-F211 CarbonylContact C-O 3.53Å; R181-F211 VanDerWaalsContact CA-O 3.28Å; R181-F211 WeakPolarHBondContact CA-O 3.45Å; I182-F211 PolarHBondContact N-O 3.09Å; Q209-F211 HydrophobicContact CB-CE2 4.48Å |
| 212 | K | 85.2 | Confident | 68 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 34% | 0.335 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 148.3 | 170 | -148.7 | 168.9 | -159.2 | 146.3 | 0 | 109.8 | R184 E188 D214 | R184-K212 WeakPolarHBondContact O-CE 3.49Å; E188-K212 WeakPolarHBondContact OE1-CD 3.19Å; E188-K212 WeakPolarHBondContact OE1-CE 3.28Å; E188-K212 IonicContact OE1-NZ 2.78Å; E188-K212 PolarHBondContact OE1-NZ 3.4Å; K212-D214 PolarHBondContact O-N 3.38Å |
| 213 | D | 79.6 | Confident | 66.7 | Low | 33 Ų | 33 | 95 Ų | 95 | 18% | 0.176 | 51% | 0.509 | C | S | . | . | trans | -74.4 | 86.3 | 178.5 | -177.3 | 59.4 | 0 | 0 | 0 | 112.9 | L159 R181 I182 R184 W215 | L159-D213 HydrophobicContact CD1-CB 3.62Å; R181-D213 HydrophobicContact CG-CB 4.41Å; R181-D213 IonicContact CZ-OD1 3.84Å; R181-D213 IonicContact NH1-OD1 3.66Å; R181-D213 PolarHBondContact NH1-OD1 3.31Å; I182-D213 PolarHBondContact O-N 3.14Å; R184-D213 VanDerWaalsContact CD-O 3.25Å; R184-D213 WeakPolarHBondContact CD-O 3.44Å; R184-D213 HydrophobicContact CG-CB 4.48Å; R184-D213 WeakPolarHBondContact CG-O 2.9Å; R184-D213 IonicContact CZ-OD2 2.79Å; R184-D213 PolarHBondContact NE-O 3.38Å; R184-D213 IonicContact NE-OD2 3.17Å; R184-D213 IonicContact NH2-OD2 2.71Å; R184-D213 PolarHBondContact NH2-OD2 3.07Å; R184-D213 VanDerWaalsContact NH2-OD2 3.09Å; D213-W215 PolarHBondContact O-N 2.68Å | ||
| 214 | D | 67.4 | Low | 65.2 | Low | 112 Ų | 112 | 103.3 Ų | 103.3 | 60% | 0.599 | 55% | 0.553 | S | S | * | * | trans | -79.5 | 105.4 | 169.8 | -65.2 | -39.1 | 0 | 0 | 0 | 110.6 | K212 T216 | K212-D214 PolarHBondContact O-N 3.38Å; D214-T216 PolarHBondContact O-N 3.19Å | ||
| 215 | W | 55.5 | Low | 63.3 | Low | 187 Ų | 187 | 105.2 Ų | 105.2 | 71% | 0.708 | 57% | 0.569 | S | S | * | * | trans | -65.3 | 2.9 | 178.9 | 59 | -79.2 | 0 | 0 | 0 | 114.8 | R184 D213 R217 | R184-W215 VanDerWaalsContact CZ-CD1 3.48Å; D213-W215 PolarHBondContact O-N 2.68Å; W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 2.8Å | ||
| 216 | T | 49 | Very low | 61.2 | Low | 97 Ų | 97 | 107 Ų | 107 | 60% | 0.595 | 59% | 0.586 | S | S | * | * | trans | -90.7 | 28.6 | -172.4 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | D214 P218 | D214-T216 PolarHBondContact O-N 3.19Å; T216-P218 WeakPolarHBondContact O-CD 3.12Å | ||
| 217 | R | 48.7 | Very low | 59.6 | Low | 228 Ų | 228 | 111.3 Ų | 111.3 | 86% | 0.86 | 62% | 0.615 | S | S | * | * | trans | -100 | 102 | 162.3 | -71.2 | -172.9 | -177.5 | -96.8 | -1.9 | 109.6 | W215 | W215-R217 VanDerWaalsContact C-N 3.3Å; W215-R217 PolarHBondContact O-N 2.8Å | ||
| 218 | P | 43.4 | Very low | 57.5 | Low | 107 Ų | 107 | 112.6 Ų | 112.6 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | trans | -60.6 | 150.5 | 171.8 | -18.9 | 31.8 | 0 | 0 | 0 | 110.9 | T216 L220 | T216-P218 WeakPolarHBondContact O-CD 3.12Å; P218-L220 VanDerWaalsContact C-N 3.28Å; P218-L220 PolarHBondContact O-N 3.36Å | ||
| 219 | L | 48.6 | Very low | 55 | Low | 157 Ų | 157 | 116 Ų | 116 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | -67.3 | 75.3 | 179.3 | -71.6 | 159.1 | 0 | 0 | 0 | 112.5 | S221 G222 | L219-S221 PolarHBondContact O-N 3.49Å; L219-S221 VanDerWaalsContact O-N 3.08Å; L219-G222 PolarHBondContact O-N 3.43Å | ||
| 220 | L | 50.7 | Low | 53 | Low | 156 Ų | 156 | 118 Ų | 118 | 82% | 0.817 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 25.9 | 168.7 | -64.9 | -177.8 | 0 | 0 | 0 | 113.4 | P218 | P218-L220 VanDerWaalsContact C-N 3.28Å; P218-L220 PolarHBondContact O-N 3.36Å |
| 221 | S | 44.8 | Very low | 51 | Low | 121 Ų | 121 | 121.5 Ų | 121.5 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 4.2 | 166.2 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | L219 | L219-S221 PolarHBondContact O-N 3.49Å; L219-S221 VanDerWaalsContact O-N 3.08Å |
| 222 | G | 46.7 | Very low | 48.9 | Very low | 57 Ų | 57 | 122.1 Ų | 122.1 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | -91.2 | -9.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | L219 L224 | L219-G222 PolarHBondContact O-N 3.43Å; G222-L224 PolarHBondContact O-N 2.93Å | ||
| 223 | V | 46.5 | Very low | 46.7 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -98.9 | 52.3 | -168 | -162.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 224 | L | 43.9 | Very low | 44.9 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -146.9 | 53.7 | 162.6 | -81.4 | -173.4 | 0 | 0 | 0 | 111.5 | G222 | G222-L224 PolarHBondContact O-N 2.93Š| ||
| 225 | S | 35.5 | Very low | 43.4 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -136 | 133.3 | 160 | -77.8 | 0 | 0 | 0 | 0 | 109 | ||
| 226 | S | 34 | Very low | 42.5 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -77.2 | 170.5 | -163.2 | -109.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 227 | P | 45.6 | Very low | 42.1 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -91 | 142.9 | -156.9 | 35.1 | -36.1 | 0 | 0 | 0 | 114.7 | ||||
| 228 | A | 38.8 | Very low | 41.3 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -179.7 | 118.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 229 | A | 33.7 | Very low | 40.6 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 168.3 | 107.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 230 | T | 43.8 | Very low | 39.9 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135 | 164 | 16.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 231 | P | 45.7 | Very low | 38.9 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 141.9 | 168.6 | 30.4 | -32.6 | 0 | 0 | 0 | 110.7 | ||
| 232 | P | 40.3 | Very low | 38.2 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74 | 143.6 | 175 | -12.7 | 28.3 | 0 | 0 | 0 | 112.3 | ||
| 233 | L | 38.7 | Very low | 37.4 | Very low | 166 Ų | 166 | 126.2 Ų | 126.2 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72 | 138.2 | 169.4 | -68.7 | 163.8 | 0 | 0 | 0 | 111 | ||
| 234 | P | 41.5 | Very low | 36.7 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 132.8 | 159.7 | -7.4 | 25 | 0 | 0 | 0 | 110.3 | ||
| 235 | V | 35.7 | Very low | 36.9 | Very low | 147 Ų | 147 | 127 Ų | 127 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 136.5 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 236 | A | 36.7 | Very low | 37 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | trans | -134.6 | 146.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 237 | P | 42 | Very low | 36.8 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -91.4 | 145.3 | -164.8 | 34.7 | -35.8 | 0 | 0 | 0 | 115.6 | ||||
| 238 | E | 30 | Very low | 36.1 | Very low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | 29.6 | 130.5 | 148.5 | -55.5 | -168.2 | 147.3 | 0 | 0 | 123.1 | ||||
| 239 | G | 29.8 | Very low | 35.7 | Very low | 58 Ų | 58 | 133.4 Ų | 133.4 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | trans | 92.7 | 134.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 240 | Y | 33.5 | Very low | 35.4 | Very low | 236 Ų | 236 | 132.2 Ų | 132.2 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | cis | -147.7 | 178.2 | 6.4 | -57.9 | -88.9 | 0 | 0 | 0 | 110 | ||||
| 241 | A | 30.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -92.7 | -179.9 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 242 | A | 30.8 | Very low | 34 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | 80.7 | 150 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 243 | S | 27.9 | Very low | 33.4 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | cis | -171.6 | 142.2 | -17.1 | -97.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 244 | F | 32.7 | Very low | 32.9 | Very low | 198 Ų | 198 | 124.8 Ų | 124.8 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | 56.3 | 148.3 | 162.9 | -56.4 | -65.6 | 0 | 0 | 0 | 121.7 | ||||
| 245 | P | 48.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -98 | 163.9 | 168.3 | 39.3 | -33.5 | 0 | 0 | 0 | 112.6 | ||||
| 246 | P | 36.5 | Very low | 31.9 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -116.3 | 142.8 | 157.6 | 35.3 | -25.4 | 0 | 0 | 0 | 112.9 | ||||
| 247 | V | 31 | Very low | 31.6 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -129 | 150 | 166.7 | -161.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 248 | L | 31.1 | Very low | 31.5 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | 105 | 134.5 | 151.7 | -64.7 | 178.1 | 0 | 0 | 0 | 121.8 | ||||
| 249 | Y | 30.3 | Very low | 31.8 | Very low | 213 Ų | 213 | 127.2 Ų | 127.2 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | 59.6 | 147.8 | 159.2 | -60.5 | -61.2 | 0 | 0 | 0 | 118.7 | ||||
| 250 | G | 27.7 | Very low | 31.9 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | cis | 161.8 | 173.8 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 251 | S | 29.3 | Very low | 31.6 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | cis | -173 | 134.8 | -15.1 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 252 | A | 29.2 | Very low | 31.7 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -157.4 | 110.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 253 | G | 28.3 | Very low | 31.7 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 80.8 | 112.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 254 | G | 28.2 | Very low | 32.5 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | cis | 98.6 | 121.2 | 26.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 255 | Q | 28.3 | Very low | 32.5 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | cis | -161.9 | 151 | 16.6 | -142.5 | 175.5 | -43.6 | 0 | 0 | 109.5 | ||||
| 256 | E | 27.7 | Very low | 31.6 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | trans | 43.7 | 142.9 | 142.9 | -85.8 | 168.7 | 148.7 | 0 | 0 | 122.1 | ||||
| 257 | F | 31.2 | Very low | 31.4 | Very low | 174 Ų | 174 | 129 Ų | 129 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | cis | -151.4 | 162.1 | 17.6 | -97 | -76.1 | 0 | 0 | 0 | 110.5 | ||||
| 258 | D | 38.7 | Very low | 31.4 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 126.1 | 160.7 | -174.5 | 15.2 | 0 | 0 | 0 | 109.8 | ||||
| 259 | P | 36.8 | Very low | 31.8 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -133.3 | 100.7 | 167.7 | 35 | -17.4 | 0 | 0 | 0 | 114.1 | ||||
| 260 | L | 31.1 | Very low | 32.4 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | 49.3 | 132.4 | 120.9 | -65.6 | 177.4 | 0 | 0 | 0 | 121.7 | |||||
| 261 | T | 28.5 | Very low | 33 | Very low | 120 Ų | 120 | 125 Ų | 125 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | 102.3 | 132.6 | 132.7 | -67.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 262 | S | 32.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 88.7 | 143.6 | 150.5 | 65.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 263 | T | 30.4 | Very low | 34.1 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -99.8 | -157.2 | -173.5 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 264 | P | 44.4 | Very low | 34.5 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -131.6 | 156.7 | -76.1 | 38.3 | -22.6 | 0 | 0 | 0 | 114.8 | |||||
| 265 | S | 33.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -164.4 | 92.7 | 162.8 | 45.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 266 | K | 29.5 | Very low | 35.4 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | 36 | 108.9 | 132 | -162.1 | 154.3 | -174.6 | 175.9 | 0 | 123.5 | ||||
| 267 | S | 32.3 | Very low | 35.8 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | 45.4 | 124.8 | 137.8 | 73 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 268 | S | 31.5 | Very low | 36.2 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | -174.3 | 156.9 | 122.2 | -165.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 269 | S | 38.3 | Very low | 35.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 84.5 | 144.2 | 162.6 | 76.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 270 | P | 42.3 | Very low | 35.7 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92 | 169 | -171.5 | 38.4 | -37.5 | 0 | 0 | 0 | 114.3 | ||
| 271 | P | 41.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 141.9 | -174.5 | 30.8 | -36.1 | 0 | 0 | 0 | 113.6 | ||
| 272 | P | 43.4 | Very low | 36.2 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 163.6 | 173.8 | 32.7 | -34.6 | 0 | 0 | 0 | 113.1 | ||
| 273 | E | 38.2 | Very low | 36.5 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 149.2 | -167.1 | -73.9 | 162.3 | 98.1 | 0 | 0 | 116.7 | ||
| 274 | F | 35.7 | Very low | 36.7 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | trans | 12.7 | 110.3 | 137.9 | -107.9 | -105.8 | 0 | 0 | 0 | 117.1 | F276 | F274-F276 AromaticContact CD1-CD2 3.74Å; F274-F276 HydrophobicContact CD1-CD2 3.74Å; F274-F276 HydrophobicContact CD1-CE2 4.15Å; F274-F276 AromaticContact CE1-CD2 3.57Å; F274-F276 HydrophobicContact CE1-CD2 3.57Å; F274-F276 AromaticContact CE1-CE2 3.58Å; F274-F276 HydrophobicContact CE1-CE2 3.58Å; F274-F276 HydrophobicContact CZ-CD2 4.47Å; F274-F276 HydrophobicContact CZ-CE2 4.07Å | ||
| 275 | S | 36.9 | Very low | 36.4 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -135 | 89 | 162.9 | -74.9 | 0 | 0 | 0 | 0 | 110 | N277 | S275-N277 PolarHBondContact O-N 3.32Š| ||
| 276 | F | 38.7 | Very low | 36.5 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | trans | -82 | 111.1 | 170.1 | -95.2 | -88.9 | 0 | 0 | 0 | 109.9 | F274 T278 | F274-F276 AromaticContact CD1-CD2 3.74Å; F274-F276 HydrophobicContact CD1-CD2 3.74Å; F274-F276 HydrophobicContact CD1-CE2 4.15Å; F274-F276 AromaticContact CE1-CD2 3.57Å; F274-F276 HydrophobicContact CE1-CD2 3.57Å; F274-F276 AromaticContact CE1-CE2 3.58Å; F274-F276 HydrophobicContact CE1-CE2 3.58Å; F274-F276 HydrophobicContact CZ-CD2 4.47Å; F274-F276 HydrophobicContact CZ-CE2 4.07Å; F276-T278 PolarHBondContact O-N 2.93Å | ||
| 277 | N | 36.2 | Very low | 36.8 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123.7 | 172.5 | -77.2 | -83.2 | 0 | 0 | 0 | 110.6 | S275 | S275-N277 PolarHBondContact O-N 3.32Š|
| 278 | T | 39.1 | Very low | 36.9 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 124.5 | 163.5 | 36.9 | 0 | 0 | 0 | 0 | 109.9 | F276 G280 | F276-T278 PolarHBondContact O-N 2.93Å; T278-G280 PolarHBondContact O-N 3.25Å |
| 279 | P | 34.4 | Very low | 36.9 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77 | 121.7 | -177 | -16.9 | 31.5 | 0 | 0 | 0 | 113.6 | ||
| 280 | G | 32.2 | Very low | 36.8 | Very low | 72 Ų | 72 | 138.2 Ų | 138.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 88 | 103.4 | 142 | 0 | 0 | 0 | 0 | 0 | 118.8 | T278 | T278-G280 PolarHBondContact O-N 3.25Š| ||
| 281 | R | 35.4 | Very low | 36.5 | Very low | 236 Ų | 236 | 138.9 Ų | 138.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | -165.6 | 89.4 | 116.7 | -156.4 | 165.4 | -173.1 | 155.5 | -0.4 | 111.3 | |||||
| 282 | N | 34.8 | Very low | 36 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -76.9 | 127.6 | 173.4 | -72.2 | -56.5 | 0 | 0 | 0 | 110.7 | ||||
| 283 | V | 38 | Very low | 35.4 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -129.9 | 115.1 | 161.2 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 284 | A | 35.3 | Very low | 35.1 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -76.9 | 144.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.4 | L286 | A284-L286 PolarHBondContact O-N 2.92Š| ||
| 285 | P | 38 | Very low | 34.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -76.2 | 118.3 | 174.7 | 30.5 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 286 | L | 34.2 | Very low | 34.4 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -82 | 114.9 | 172.3 | -170.5 | 72.5 | 0 | 0 | 0 | 109.5 | A284 | A284-L286 PolarHBondContact O-N 2.92Š| ||
| 287 | V | 37.5 | Very low | 34 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -101.2 | 120.6 | 178.9 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 288 | L | 32.7 | Very low | 34.2 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -146.3 | 159.3 | 163.2 | -83.8 | -176.4 | 0 | 0 | 0 | 110.3 | ||||
| 289 | P | 32.8 | Very low | 33.8 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -101.1 | 163.5 | -139.9 | 37.5 | -37.5 | 0 | 0 | 0 | 116.3 | ||||
| 290 | A | 35.2 | Very low | 33.6 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -70.7 | 150.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 291 | P | 37.3 | Very low | 33.6 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | -144 | 164.4 | 120.1 | 38.3 | -25.8 | 0 | 0 | 0 | 114.4 | |||||
| 292 | G | 29.9 | Very low | 33.8 | Very low | 80 Ų | 80 | 136.5 Ų | 136.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 110.1 | 113.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 293 | Q | 32 | Very low | 33.7 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -70.7 | 155.7 | 161 | -64 | 158.8 | -77.8 | 0 | 0 | 110 | ||||
| 294 | H | 29.9 | Very low | 33.9 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | 162.2 | 118.9 | 123.4 | -87 | -72.5 | 0 | 0 | 0 | 113.4 | |||||
| 295 | T | 30.1 | Very low | 33.7 | Very low | 115 Ų | 115 | 136 Ų | 136 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | 63.2 | 131.9 | 140.5 | 54.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 296 | H | 28.7 | Very low | 33.4 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | 89.6 | 118.3 | 141 | -97.6 | -87.6 | 0 | 0 | 0 | 122.8 | ||||
| 297 | R | 30.5 | Very low | 33.2 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | -81.3 | 160.9 | 153.9 | -141.3 | -166.8 | 173.6 | 163.4 | -3.2 | 108.3 | ||||
| 298 | P | 41.2 | Very low | 33.1 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | -149.4 | 168.1 | 75.4 | 37.4 | -16.9 | 0 | 0 | 0 | 117.7 | |||||
| 299 | Y | 29.3 | Very low | 33.7 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | 11.4 | 139.2 | 152.8 | -82.5 | -98.6 | 0 | 0 | 0 | 124.2 | ||||
| 300 | G | 30.3 | Very low | 34.2 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | 124.5 | 133.8 | 123.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 301 | G | 32.1 | Very low | 34.1 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 142.7 | 100.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 302 | L | 39.7 | Very low | 33.8 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 98% | 0.984 | 82% | 0.816 | S | S | * | * | trans | -72.6 | 147 | 153.1 | -95.2 | 75.7 | 0 | 0 | 0 | 109 | ||||
| 303 | G | 33.2 | Very low | 33.8 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -173.3 | 96.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 304 | L | 42 | Very low | 34.1 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -77.1 | 137.7 | 160.6 | -73.7 | 160 | 0 | 0 | 0 | 109.2 | ||||
| 305 | S | 30.6 | Very low | 34.7 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -172.3 | 130.8 | 142 | -86.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 306 | Y | 31.2 | Very low | 34.8 | Very low | 236 Ų | 236 | 134.2 Ų | 134.2 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -6.7 | 145 | 152.6 | -81 | -101.3 | 0 | 0 | 0 | 121.4 | ||||
| 307 | G | 30.4 | Very low | 34.9 | Very low | 81 Ų | 81 | 134 Ų | 134 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -173.2 | 94.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 308 | A | 36.7 | Very low | 34.8 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -107.6 | 144.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 309 | P | 43.8 | Very low | 34.7 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -81.7 | 146.4 | 176 | 32.6 | -33.4 | 0 | 0 | 0 | 112.2 | ||||
| 310 | P | 45 | Very low | 35 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | trans | -112.4 | -178.7 | -170.4 | 43.1 | -37.5 | 0 | 0 | 0 | 115.7 | ||||
| 311 | Y | 31.3 | Very low | 35 | Very low | 229 Ų | 229 | 133.9 Ų | 133.9 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | 74.8 | 148 | 168.6 | -84.4 | -104.2 | 0 | 0 | 0 | 119.2 | ||||
| 312 | A | 32.5 | Very low | 35.2 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | cis | -173.2 | 145.9 | -38.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 313 | G | 29.8 | Very low | 34.8 | Very low | 81 Ų | 81 | 133 Ų | 133 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 171.8 | 82.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 314 | M | 38.7 | Very low | 34.6 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -137 | 144.9 | 170.1 | -94.6 | -70.9 | -165.8 | 0 | 0 | 106.9 | ||||
| 315 | P | 42.3 | Very low | 34 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -135.8 | 157.2 | 68.2 | 36.1 | -20 | 0 | 0 | 0 | 113.2 | |||||
| 316 | G | 31.9 | Very low | 34 | Very low | 51 Ų | 51 | 141 Ų | 141 | 53% | 0.526 | 78% | 0.783 | S | S | . | * | cis | 118.5 | 122.8 | 17.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 317 | F | 30.5 | Very low | 34.1 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -175.7 | 127.6 | 146 | -117.9 | -130.2 | 0 | 0 | 0 | 113.6 | ||||
| 318 | R | 27.6 | Very low | 34.1 | Very low | 211 Ų | 211 | 134.9 Ų | 134.9 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 61.1 | 105.5 | 150.3 | -64 | -175.7 | -175.3 | -170.1 | 0.7 | 121.8 | ||||
| 319 | L | 38.7 | Very low | 33.8 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | -61.8 | 163.3 | 133.4 | -111.4 | 72.3 | 0 | 0 | 0 | 110.7 | ||||
| 320 | P | 37.7 | Very low | 33.3 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | -136.7 | 161.6 | 107.4 | 37.7 | -27.6 | 0 | 0 | 0 | 115.2 | |||||
| 321 | S | 30.2 | Very low | 32.7 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | -86.5 | 154.7 | 178.2 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 322 | S | 35.5 | Very low | 32.7 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | 36.7 | 123.2 | 144.7 | 62.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 323 | H | 30.3 | Very low | 32.8 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | -158.3 | 141.5 | 128.7 | -114 | 70.4 | 0 | 0 | 0 | 113.1 | Y325 | H323-Y325 HydrophobicContact CB-CE2 4.34Å; H323-Y325 AromaticContact CD2-CE2 3.65Å | |||
| 324 | S | 30 | Very low | 33.8 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -88.3 | 136.9 | 168.7 | -54.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 325 | Y | 30.3 | Very low | 34.2 | Very low | 217 Ų | 217 | 135 Ų | 135 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -139.4 | 155.5 | 159.8 | -83.5 | -73.4 | 0 | 0 | 0 | 111.7 | H323 | H323-Y325 HydrophobicContact CB-CE2 4.34Å; H323-Y325 AromaticContact CD2-CE2 3.65Å | ||
| 326 | R | 30.2 | Very low | 34 | Very low | 220 Ų | 220 | 136.7 Ų | 136.7 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -130.7 | 162.5 | -163.9 | -155.1 | -171 | -162.8 | -124.2 | 7.5 | 108.7 | ||||
| 327 | T | 33.3 | Very low | 34.1 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 68.6 | 146.7 | 159.3 | 34 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 328 | A | 30.9 | Very low | 34.3 | Very low | 66 Ų | 66 | 146.7 Ų | 146.7 | 55% | 0.545 | 79% | 0.785 | S | S | . | * | cis | -164.8 | 175.3 | -3.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 329 | F | 30.4 | Very low | 34.6 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 68.8 | 134.2 | 166.1 | -61.4 | -77 | 0 | 0 | 0 | 116.4 | ||||
| 330 | V | 33.2 | Very low | 34.6 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | cis | -138.3 | 154.7 | 17.5 | 178 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 331 | G | 31.6 | Very low | 34.4 | Very low | 63 Ų | 63 | 137.5 Ų | 137.5 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | cis | 164.6 | 173.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 332 | S | 31.1 | Very low | 34.8 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | 50 | 100.8 | 159.9 | -52.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 333 | T | 35.8 | Very low | 35.5 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -73.2 | 162.1 | 156.3 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 334 | P | 49.4 | Very low | 35.8 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | -150.6 | -163.7 | 87 | 44.9 | -24.6 | 0 | 0 | 0 | 113.3 | |||||
| 335 | P | 46.8 | Very low | 36.4 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | -130 | 179.8 | -89.1 | 40.2 | -21.8 | 0 | 0 | 0 | 116.2 | |||||
| 336 | L | 38.2 | Very low | 37.2 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -28 | 140.4 | 170 | -68.6 | 153.9 | 0 | 0 | 0 | 117.6 | ||||
| 337 | R | 34.4 | Very low | 37.6 | Very low | 251 Ų | 251 | 131 Ų | 131 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | trans | -140.4 | 116.7 | 152.2 | -151.1 | 175.7 | -170 | -179 | 2.8 | 112 | ||||
| 338 | F | 34 | Very low | 37.8 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -66.5 | 149 | 165.4 | -96.2 | -107.9 | 0 | 0 | 0 | 110.3 | ||||
| 339 | G | 35.7 | Very low | 38.1 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | trans | -154.9 | 65.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 340 | T | 38 | Very low | 38.5 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | trans | -74.8 | 129.3 | 162.7 | 44.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 341 | G | 33.1 | Very low | 38.8 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | 157.4 | 96 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 342 | N | 39 | Very low | 39.3 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 85% | 0.85 | S | S | * | * | trans | -112.2 | 164.8 | 157 | -146.9 | 14.9 | 0 | 0 | 0 | 106 | ||||
| 343 | P | 49.6 | Very low | 39.8 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 85% | 0.849 | S | S | * | * | cis | -125.4 | 173.4 | -21.7 | 39.7 | -25.9 | 0 | 0 | 0 | 112.4 | ||||
| 344 | A | 37.3 | Very low | 40 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 85% | 0.85 | S | S | * | * | trans | 179.8 | 129.6 | 142.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 345 | A | 43.3 | Very low | 39.4 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 76% | 0.76 | 86% | 0.856 | S | S | * | * | trans | -83.6 | 173 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 346 | P | 46.5 | Very low | 38.8 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 86% | 0.863 | S | S | * | * | cis | -152.6 | -168.3 | 31.2 | 46.5 | -25.2 | 0 | 0 | 0 | 117.7 | ||||
| 347 | Q | 37.3 | Very low | 38.9 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 86% | 0.864 | S | S | * | * | trans | 65.9 | 108.4 | 156.5 | -69.9 | 176.6 | 11.1 | 0 | 0 | 119.7 | ||||
| 348 | S | 38.1 | Very low | 39.3 | Very low | 194 Ų | 194 | 130.8 Ų | 130.8 | 100% | 1.357 | 86% | 0.856 | S | S | * | * | -152.3 | 0 | 100.1 | 62.9 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 348 of 348 residues in 1902.3 ms
(Link to these results)