| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.6 | Very low | 42.9 | Very low | 250 Ų | 250 | 146.4 Ų | 146.4 | 100% | 1.232 | 85% | 0.848 | S | S | * | * | 0 | 149.9 | 0 | -85 | 177.4 | 180 | 0 | 0 | 108.6 | |||||
| 2 | A | 40.8 | Very low | 42.7 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 80% | 0.802 | 85% | 0.85 | S | S | * | * | trans | 104.9 | 97.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | E | 36.9 | Very low | 42.3 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | 54.1 | 114.7 | 141.4 | -70.6 | -168.9 | 89.9 | 0 | 0 | 122.1 | ||||
| 4 | R | 38.3 | Very low | 42 | Very low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -108.2 | 140.1 | 144.8 | -82.2 | -148.2 | 173.6 | -147.3 | 0.3 | 110.3 | ||||
| 5 | P | 39.1 | Very low | 41.7 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | trans | -77.3 | 147.5 | -176.8 | 29.7 | -29.9 | 0 | 0 | 0 | 112.5 | ||||
| 6 | R | 43.9 | Very low | 41.3 | Very low | 238 Ų | 238 | 135.8 Ų | 135.8 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -90.6 | -174.6 | 168.1 | -59.7 | -176.7 | -177.7 | 178.3 | 1.1 | 109.9 | ||||
| 7 | P | 64.6 | Low | 40.8 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | -115.3 | -168.1 | -75.7 | 38 | -19.5 | 0 | 0 | 0 | 109.4 | |||||
| 8 | P | 42.8 | Very low | 40.5 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | -147.7 | 152.7 | 83.8 | 34.3 | -14.4 | 0 | 0 | 0 | 114.6 | G10 | P8-G10 PolarHBondContact O-N 3.08Š| |||
| 9 | G | 43.9 | Very low | 40.4 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 26.8 | 84.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | A11 | G9-A11 PolarHBondContact O-N 2.95Š| ||
| 10 | G | 37.4 | Very low | 40.4 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -61.8 | 96.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | P8 V12 | P8-G10 PolarHBondContact O-N 3.08Å; G10-V12 PolarHBondContact O-N 3.38Å | ||
| 11 | A | 37.3 | Very low | 40.4 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -43.6 | 128.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | G9 S13 | G9-A11 PolarHBondContact O-N 2.95Å; A11-S13 VanDerWaalsContact C-N 3.35Å; A11-S13 PolarHBondContact O-N 3.35Å | ||
| 12 | V | 40.5 | Very low | 40.2 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -46.5 | 107.5 | 169.8 | -173.8 | 0 | 0 | 0 | 0 | 105.6 | G10 A14 | G10-V12 PolarHBondContact O-N 3.38Å; V12-A14 PolarHBondContact O-N 3.15Å | ||
| 13 | S | 37.8 | Very low | 40.4 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -61.1 | 98.6 | 179.1 | -171.9 | 0 | 0 | 0 | 0 | 104.8 | A11 T15 | A11-S13 VanDerWaalsContact C-N 3.35Å; A11-S13 PolarHBondContact O-N 3.35Å; S13-T15 VanDerWaalsContact C-N 3.29Å; S13-T15 PolarHBondContact O-N 2.84Å | ||
| 14 | A | 38.3 | Very low | 40.6 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -52.7 | 106.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 104.2 | V12 A16 | V12-A14 PolarHBondContact O-N 3.15Å; A14-A16 PolarHBondContact O-N 2.86Å | ||
| 15 | T | 36.7 | Very low | 40.8 | Very low | 129 Ų | 129 | 118 Ų | 118 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -36.2 | 108.7 | 174.1 | 43.6 | 0 | 0 | 0 | 0 | 107 | S13 Y17 | S13-T15 VanDerWaalsContact C-N 3.29Å; S13-T15 PolarHBondContact O-N 2.84Å; T15-Y17 VanDerWaalsContact C-N 3.35Å; T15-Y17 PolarHBondContact O-N 2.82Å | ||
| 16 | A | 35.3 | Very low | 41.2 | Very low | 95 Ų | 95 | 117.6 Ų | 117.6 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -48.1 | 104.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | A14 P18 | A14-A16 PolarHBondContact O-N 2.86Å; A16-P18 WeakPolarHBondContact O-CD 3.3Å | ||
| 17 | Y | 33.9 | Very low | 41.3 | Very low | 180 Ų | 180 | 112.7 Ų | 112.7 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | -72.6 | 112.7 | 167.3 | -154.7 | -89.3 | 0 | 0 | 0 | 103.2 | T15 D19 | T15-Y17 VanDerWaalsContact C-N 3.35Å; T15-Y17 PolarHBondContact O-N 2.82Å; Y17-D19 PolarHBondContact O-N 3.06Å | ||
| 18 | P | 35 | Very low | 40.3 | Very low | 87 Ų | 87 | 112.1 Ų | 112.1 | 57% | 0.565 | 70% | 0.702 | S | S | * | * | trans | -61 | 118.4 | 175.6 | 24.9 | -30.1 | 0 | 0 | 0 | 106.7 | A16 T20 | A16-P18 WeakPolarHBondContact O-CD 3.3Å; P18-T20 PolarHBondContact O-N 3.4Å; P18-T20 PolarHBondContact O-OG1 2.96Å | ||
| 19 | D | 38.2 | Very low | 40.5 | Very low | 166 Ų | 166 | 111.5 Ų | 111.5 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | trans | -65.5 | 40.4 | 168.1 | -76.4 | -56.3 | 0 | 0 | 0 | 111.6 | Y17 | Y17-D19 PolarHBondContact O-N 3.06Š| ||
| 20 | T | 40 | Very low | 40.2 | Very low | 93 Ų | 93 | 110.9 Ų | 110.9 | 57% | 0.571 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -74.7 | 126.5 | 151.8 | 29.9 | 0 | 0 | 0 | 0 | 106.2 | P18 A22 | P18-T20 PolarHBondContact O-N 3.4Å; P18-T20 PolarHBondContact O-OG1 2.96Å; T20-A22 PolarHBondContact O-N 3.48Å |
| 21 | P | 40.3 | Very low | 40.5 | Very low | 114 Ų | 114 | 108.6 Ų | 108.6 | 74% | 0.74 | 65% | 0.652 | S | S | * | * | trans | -49.5 | 118.6 | 165.7 | 22.8 | -30.8 | 0 | 0 | 0 | 105.5 | E23 | P21-E23 PolarHBondContact O-N 3.06Š| ||
| 22 | A | 43.7 | Very low | 40.7 | Very low | 68 Ų | 68 | 106.6 Ų | 106.6 | 56% | 0.562 | 64% | 0.636 | S | S | * | * | trans | -61.6 | 89.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | T20 F24 | T20-A22 PolarHBondContact O-N 3.48Å; A22-F24 PolarHBondContact O-N 3.47Å | ||
| 23 | E | 44.3 | Very low | 40.8 | Very low | 178 Ų | 178 | 103.8 Ų | 103.8 | 83% | 0.832 | 61% | 0.614 | S | S | * | * | trans | -60.3 | 95.8 | 173.8 | -143.5 | 177.3 | 109.1 | 0 | 0 | 103.2 | P21 | P21-E23 PolarHBondContact O-N 3.06Š| ||
| 24 | F | 41.4 | Very low | 41.3 | Very low | 135 Ų | 135 | 107.4 Ų | 107.4 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | trans | -49.5 | 122.2 | -179.1 | -112.2 | -92.8 | 0 | 0 | 0 | 106.5 | A22 P26 Q29 | A22-F24 PolarHBondContact O-N 3.47Å; F24-P26 VanDerWaalsContact O-N 3.15Å; F24-Q29 VanDerWaalsContact CB-OE1 3.31Å | ||
| 25 | P | 41.3 | Very low | 41.7 | Very low | 60 Ų | 60 | 112.7 Ų | 112.7 | 39% | 0.39 | 61% | 0.613 | S | S | . | * | trans | -59.4 | 129.1 | -172.2 | 22.1 | -32.4 | 0 | 0 | 0 | 107.5 | H27 L28 | P25-H27 PolarHBondContact O-N 2.9Å; P25-L28 HydrophobicContact CG-CD1 4.17Å; P25-L28 PolarHBondContact O-N 3.39Å | ||
| 26 | P | 47.8 | Very low | 42.3 | Very low | 112 Ų | 112 | 115 Ų | 115 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.2 | -19.7 | -164.9 | 16.6 | -30.8 | 0 | 0 | 0 | 113.9 | F24 A30 | F24-P26 VanDerWaalsContact O-N 3.15Å; P26-A30 WeakPolarHBondContact O-CB 3.4Å; P26-A30 PolarHBondContact O-N 3.05Å |
| 27 | H | 46.7 | Very low | 42.8 | Very low | 134 Ų | 134 | 114.3 Ų | 114.3 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72 | -34.6 | 178.3 | 86.7 | -85.1 | 0 | 0 | 0 | 114.5 | P25 | P25-H27 PolarHBondContact O-N 2.9Å |
| 28 | L | 44.1 | Very low | 43.5 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -81.5 | -31.5 | -176.9 | -102.8 | 145.9 | 0 | 0 | 0 | 111.8 | P25 | P25-L28 HydrophobicContact CG-CD1 4.17Å; P25-L28 PolarHBondContact O-N 3.39Å |
| 29 | Q | 46.7 | Very low | 44.2 | Very low | 109 Ų | 109 | 111.9 Ų | 111.9 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -76.1 | -33.7 | 178.4 | -156.7 | 166.7 | -73 | 0 | 0 | 112.3 | F24 G31 A32 M33 | F24-Q29 VanDerWaalsContact CB-OE1 3.31Å; Q29-G31 VanDerWaalsContact C-N 3.34Å; Q29-G31 PolarHBondContact O-N 3.33Å; Q29-A32 PolarHBondContact O-N 3.38Å; Q29-M33 PolarHBondContact O-N 3.42Å |
| 30 | A | 38.3 | Very low | 44.8 | Very low | 59 Ų | 59 | 105.9 Ų | 105.9 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P26 R34 | P26-A30 WeakPolarHBondContact O-CB 3.4Å; P26-A30 PolarHBondContact O-N 3.05Å; A30-R34 VanDerWaalsContact O-CB 3.31Å; A30-R34 WeakPolarHBondContact O-CB 3.32Å; A30-R34 PolarHBondContact O-N 2.94Å; A30-R34 VanDerWaalsContact O-N 3.11Å |
| 31 | G | 42.2 | Very low | 45.4 | Very low | 31 Ų | 31 | 106.4 Ų | 106.4 | 32% | 0.32 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.1 | -32.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q29 R35 | Q29-G31 VanDerWaalsContact C-N 3.34Å; Q29-G31 PolarHBondContact O-N 3.33Å; G31-R35 WeakPolarHBondContact O-CG 3.37Å; G31-R35 PolarHBondContact O-N 2.96Å |
| 32 | A | 41.4 | Very low | 45.9 | Very low | 47 Ų | 47 | 106.3 Ų | 106.3 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -76 | -38.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q29 R35 R36 | Q29-A32 PolarHBondContact O-N 3.38Å; A32-R35 PolarHBondContact O-N 3.01Å; A32-R36 PolarHBondContact O-N 3.32Å |
| 33 | M | 44.1 | Very low | 46.2 | Very low | 83 Ų | 83 | 106.6 Ų | 106.6 | 41% | 0.409 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 175.8 | -77.6 | -76.2 | -83.6 | 0 | 0 | 112.4 | Q29 R36 F37 A101 | Q29-M33 PolarHBondContact O-N 3.42Å; M33-R36 PolarHBondContact O-N 3.42Å; M33-F37 WeakPolarHBondContact O-CB 3.24Å; M33-F37 PolarHBondContact O-N 2.91Å; M33-A101 HydrophobicContact CE-CB 4.23Å |
| 34 | R | 47.4 | Very low | 46.6 | Very low | 185 Ų | 185 | 100.8 Ų | 100.8 | 70% | 0.698 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -36.5 | 176.2 | -158.9 | 172.3 | -174.3 | -100 | 2.9 | 112.3 | A30 W38 | A30-R34 VanDerWaalsContact O-CB 3.31Å; A30-R34 WeakPolarHBondContact O-CB 3.32Å; A30-R34 PolarHBondContact O-N 2.94Å; A30-R34 VanDerWaalsContact O-N 3.11Å; R34-W38 PolarHBondContact O-N 2.82Å |
| 35 | R | 47.8 | Very low | 47.3 | Very low | 198 Ų | 198 | 96.4 Ų | 96.4 | 75% | 0.747 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.7 | -37.8 | 171.4 | -78.1 | -168.4 | -80.2 | -174.8 | -3.6 | 112.8 | G31 A32 G39 | G31-R35 WeakPolarHBondContact O-CG 3.37Å; G31-R35 PolarHBondContact O-N 2.96Å; A32-R35 PolarHBondContact O-N 3.01Å; R35-G39 PolarHBondContact O-N 3.49Å |
| 36 | R | 48.3 | Very low | 47.7 | Very low | 178 Ų | 178 | 96.5 Ų | 96.5 | 67% | 0.672 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.7 | -40.7 | 171.9 | -89.3 | 176.6 | 168.4 | 166.6 | -3.3 | 112.7 | A32 M33 G39 V40 | A32-R36 PolarHBondContact O-N 3.32Å; M33-R36 PolarHBondContact O-N 3.42Å; R36-G39 PolarHBondContact O-N 2.88Å; R36-V40 VanDerWaalsContact O-CG2 3.26Å; R36-V40 WeakPolarHBondContact O-CG2 3.25Å; R36-V40 PolarHBondContact O-N 3.37Å |
| 37 | F | 46.5 | Very low | 47.9 | Very low | 80 Ų | 80 | 92.9 Ų | 92.9 | 35% | 0.351 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 175.5 | -177 | -101.9 | 0 | 0 | 0 | 112 | M33 G39 V40 F41 F87 | M33-F37 WeakPolarHBondContact O-CB 3.24Å; M33-F37 PolarHBondContact O-N 2.91Å; F37-G39 VanDerWaalsContact C-N 3.35Å; F37-V40 PolarHBondContact O-N 3.17Å; F37-F41 WeakPolarHBondContact O-CB 3.34Å; F37-F41 PolarHBondContact O-N 2.67Å; F37-F87 HydrophobicContact CD2-CE1 4.11Å; F37-F87 HydrophobicContact CD2-CZ 4.24Å; F37-F87 AromaticContact CE2-CD1 3.92Å; F37-F87 HydrophobicContact CE2-CD1 3.92Å; F37-F87 AromaticContact CE2-CD2 3.99Å; F37-F87 HydrophobicContact CE2-CD2 3.99Å; F37-F87 AromaticContact CE2-CE1 3.48Å; F37-F87 HydrophobicContact CE2-CE1 3.48Å; F37-F87 VanDerWaalsContact CE2-CE1 3.48Å; F37-F87 AromaticContact CE2-CE2 3.58Å; F37-F87 HydrophobicContact CE2-CE2 3.58Å; F37-F87 HydrophobicContact CE2-CG 4.17Å; F37-F87 AromaticContact CE2-CZ 3.32Å; F37-F87 HydrophobicContact CE2-CZ 3.32Å; F37-F87 HydrophobicContact CZ-CD1 4.01Å; F37-F87 AromaticContact CZ-CD2 3.69Å; F37-F87 HydrophobicContact CZ-CD2 3.69Å; F37-F87 HydrophobicContact CZ-CE1 4.03Å; F37-F87 AromaticContact CZ-CE2 3.74Å; F37-F87 HydrophobicContact CZ-CE2 3.74Å; F37-F87 AromaticContact CZ-CG 3.86Å; F37-F87 HydrophobicContact CZ-CG 3.86Å; F37-F87 AromaticContact CZ-CZ 3.92Å; F37-F87 HydrophobicContact CZ-CZ 3.92Å |
| 38 | W | 47.2 | Very low | 48.3 | Very low | 177 Ų | 177 | 88.3 Ų | 88.3 | 67% | 0.67 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 171.4 | -97.4 | 51.7 | 0 | 0 | 0 | 112.4 | R34 F41 N42 | R34-W38 PolarHBondContact O-N 2.82Å; W38-F41 PolarHBondContact O-N 3.42Å; W38-N42 VanDerWaalsContact O-CB 3.25Å; W38-N42 WeakPolarHBondContact O-CB 3.35Å; W38-N42 PolarHBondContact O-N 2.91Å |
| 39 | G | 50.5 | Low | 48.8 | Very low | 40 Ų | 40 | 90.4 Ų | 90.4 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R35 R36 F37 C43 | R35-G39 PolarHBondContact O-N 3.49Å; R36-G39 PolarHBondContact O-N 2.88Å; F37-G39 VanDerWaalsContact C-N 3.35Å; G39-C43 VanDerWaalsContact O-CB 3.32Å; G39-C43 WeakPolarHBondContact O-CB 3.45Å; G39-C43 PolarHBondContact O-N 3.44Å |
| 40 | V | 49.8 | Very low | 48.9 | Very low | 39 Ų | 39 | 87.3 Ų | 87.3 | 24% | 0.236 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.7 | -48.1 | 175 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | R36 F37 N42 C43 L44 V105 | R36-V40 VanDerWaalsContact O-CG2 3.26Å; R36-V40 WeakPolarHBondContact O-CG2 3.25Å; R36-V40 PolarHBondContact O-N 3.37Å; F37-V40 PolarHBondContact O-N 3.17Å; V40-N42 VanDerWaalsContact C-N 3.28Å; V40-N42 PolarHBondContact O-N 3.48Å; V40-C43 PolarHBondContact O-N 2.91Å; V40-L44 WeakPolarHBondContact O-CB 3.14Å; V40-L44 PolarHBondContact O-N 3.29Å; V40-V105 HydrophobicContact CB-CG2 4.14Å; V40-V105 HydrophobicContact CG1-CG2 3.36Å; V40-V105 HydrophobicContact CG2-CG1 4.17Å; V40-V105 HydrophobicContact CG2-CG2 3.86Å |
| 41 | F | 53.3 | Low | 49.5 | Very low | 104 Ų | 104 | 86.9 Ų | 86.9 | 46% | 0.456 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 177 | -179 | -97.9 | 0 | 0 | 0 | 110.8 | F37 W38 C43 L44 C45 T80 | F37-F41 WeakPolarHBondContact O-CB 3.34Å; F37-F41 PolarHBondContact O-N 2.67Å; W38-F41 PolarHBondContact O-N 3.42Å; F41-C43 PolarHBondContact O-N 3.45Å; F41-L44 WeakPolarHBondContact O-CB 3.33Å; F41-L44 PolarHBondContact O-N 3.33Å; F41-C45 WeakPolarHBondContact O-CB 3.42Å; F41-C45 PolarHBondContact O-N 2.99Å; F41-C45 PolarHBondContact O-SG 3.09Å; F41-T80 HydrophobicContact CE2-CG2 4.07Å |
| 42 | N | 50.1 | Low | 49.9 | Very low | 112 Ų | 112 | 89.8 Ų | 89.8 | 60% | 0.599 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.3 | -36.1 | 178.9 | -146.9 | -0.8 | 0 | 0 | 0 | 112.3 | W38 V40 A46 | W38-N42 VanDerWaalsContact O-CB 3.25Å; W38-N42 WeakPolarHBondContact O-CB 3.35Å; W38-N42 PolarHBondContact O-N 2.91Å; V40-N42 VanDerWaalsContact C-N 3.28Å; V40-N42 PolarHBondContact O-N 3.48Å; N42-A46 WeakPolarHBondContact O-CB 3.37Å; N42-A46 PolarHBondContact O-N 2.88Å |
| 43 | C | 51 | Low | 50.3 | Low | 75 Ų | 75 | 90.3 Ų | 90.3 | 51% | 0.507 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.3 | -35.9 | 173.6 | -175 | 0 | 0 | 0 | 0 | 112.5 | G39 V40 F41 A46 G47 | G39-C43 VanDerWaalsContact O-CB 3.32Å; G39-C43 WeakPolarHBondContact O-CB 3.45Å; G39-C43 PolarHBondContact O-N 3.44Å; V40-C43 PolarHBondContact O-N 2.91Å; F41-C43 PolarHBondContact O-N 3.45Å; C43-A46 PolarHBondContact O-N 2.98Å; C43-G47 PolarHBondContact O-N 3.02Å |
| 44 | L | 53.3 | Low | 50.5 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 29% | 0.293 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 174.8 | -146.5 | 75.8 | 0 | 0 | 0 | 111 | V40 F41 G47 A48 N109 | V40-L44 WeakPolarHBondContact O-CB 3.14Å; V40-L44 PolarHBondContact O-N 3.29Å; F41-L44 WeakPolarHBondContact O-CB 3.33Å; F41-L44 PolarHBondContact O-N 3.33Å; L44-G47 PolarHBondContact O-N 3.05Å; L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 2.83Å; L44-N109 HydrophobicContact CD1-CB 3.75Å; L44-N109 WeakPolarHBondContact CD1-ND2 3.5Å; L44-N109 WeakPolarHBondContact CD1-OD1 3.31Å |
| 45 | C | 55 | Low | 50.5 | Low | 42 Ų | 42 | 81 Ų | 81 | 28% | 0.284 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 173 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | F41 G47 A48 F49 | F41-C45 WeakPolarHBondContact O-CB 3.42Å; F41-C45 PolarHBondContact O-N 2.99Å; F41-C45 PolarHBondContact O-SG 3.09Å; C45-G47 PolarHBondContact O-N 2.82Å; C45-A48 PolarHBondContact O-N 2.96Å; C45-F49 WeakPolarHBondContact O-CB 3.45Å; C45-F49 VanDerWaalsContact O-CD2 3.31Å; C45-F49 WeakPolarHBondContact O-CD2 3.24Å; C45-F49 PolarHBondContact O-N 3.45Å |
| 46 | A | 50.4 | Low | 50.5 | Low | 62 Ų | 62 | 74.7 Ų | 74.7 | 51% | 0.512 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N42 C43 G50 | N42-A46 WeakPolarHBondContact O-CB 3.37Å; N42-A46 PolarHBondContact O-N 2.88Å; C43-A46 PolarHBondContact O-N 2.98Å; A46-G50 PolarHBondContact O-N 3.49Å |
| 47 | G | 51.3 | Low | 50.6 | Low | 36 Ų | 36 | 69.4 Ų | 69.4 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C43 L44 C45 G50 A51 | C43-G47 PolarHBondContact O-N 3.02Å; L44-G47 PolarHBondContact O-N 3.05Å; C45-G47 PolarHBondContact O-N 2.82Å; G47-G50 PolarHBondContact O-N 3.5Å; G47-A51 WeakPolarHBondContact O-CB 3.47Å; G47-A51 PolarHBondContact O-N 3.19Å |
| 48 | A | 55.3 | Low | 50.6 | Low | 39 Ų | 39 | 72.9 Ų | 72.9 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L44 C45 L52 L116 | L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 2.83Å; C45-A48 PolarHBondContact O-N 2.96Å; A48-L52 VanDerWaalsContact O-CB 3.3Å; A48-L52 WeakPolarHBondContact O-CB 3.4Å; A48-L52 PolarHBondContact O-N 3.45Å; A48-L116 HydrophobicContact CB-CD2 4.14Å |
| 49 | F | 53.9 | Low | 50.5 | Low | 147 Ų | 147 | 68.8 Ų | 68.8 | 65% | 0.645 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.6 | -33.7 | 175.4 | -86.3 | -76.7 | 0 | 0 | 0 | 112.8 | C45 L52 A53 | C45-F49 WeakPolarHBondContact O-CB 3.45Å; C45-F49 VanDerWaalsContact O-CD2 3.31Å; C45-F49 WeakPolarHBondContact O-CD2 3.24Å; C45-F49 PolarHBondContact O-N 3.45Å; F49-L52 HydrophobicContact CD1-CD2 4.39Å; F49-L52 PolarHBondContact O-N 2.86Å; F49-A53 VanDerWaalsContact O-CB 3.3Å; F49-A53 WeakPolarHBondContact O-CB 3.33Å; F49-A53 PolarHBondContact O-N 2.87Å |
| 50 | G | 49.2 | Very low | 50.3 | Low | 43 Ų | 43 | 70.9 Ų | 70.9 | 44% | 0.443 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A46 G47 A54 | A46-G50 PolarHBondContact O-N 3.49Å; G47-G50 PolarHBondContact O-N 3.5Å; G50-A54 PolarHBondContact O-N 2.88Å; G50-A54 VanDerWaalsContact O-N 3.08Å |
| 51 | A | 50.5 | Low | 50.3 | Low | 51 Ų | 51 | 78.6 Ų | 78.6 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G47 A54 A55 | G47-A51 WeakPolarHBondContact O-CB 3.47Å; G47-A51 PolarHBondContact O-N 3.19Å; A51-A54 PolarHBondContact O-N 3.19Å; A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 3.43Å |
| 52 | L | 52.4 | Low | 49.9 | Very low | 91 Ų | 91 | 75.2 Ų | 75.2 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 174.9 | -159.9 | 79.5 | 0 | 0 | 0 | 112 | A48 F49 A55 S56 | A48-L52 VanDerWaalsContact O-CB 3.3Å; A48-L52 WeakPolarHBondContact O-CB 3.4Å; A48-L52 PolarHBondContact O-N 3.45Å; F49-L52 HydrophobicContact CD1-CD2 4.39Å; F49-L52 PolarHBondContact O-N 2.86Å; L52-A55 PolarHBondContact O-N 3Å; L52-S56 WeakPolarHBondContact O-CB 3.17Å; L52-S56 PolarHBondContact O-N 3.49Å; L52-S56 PolarHBondContact O-OG 3.36Å; L52-S56 VanDerWaalsContact O-OG 3.12Å |
| 53 | A | 48.5 | Very low | 49.7 | Very low | 59 Ų | 59 | 74.7 Ų | 74.7 | 49% | 0.488 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.2 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F49 S56 A57 | F49-A53 VanDerWaalsContact O-CB 3.3Å; F49-A53 WeakPolarHBondContact O-CB 3.33Å; F49-A53 PolarHBondContact O-N 2.87Å; A53-S56 WeakPolarHBondContact CA-OG 3.32Å; A53-S56 PolarHBondContact O-OG 2.88Å; A53-A57 PolarHBondContact O-N 3.03Å |
| 54 | A | 47.9 | Very low | 50.1 | Low | 60 Ų | 60 | 79.6 Ų | 79.6 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.6 | -34.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G50 A51 | G50-A54 PolarHBondContact O-N 2.88Å; G50-A54 VanDerWaalsContact O-N 3.08Å; A51-A54 PolarHBondContact O-N 3.19Å |
| 55 | A | 49.1 | Very low | 49.7 | Very low | 11 Ų | 11 | 82.7 Ų | 82.7 | 9% | 0.091 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -73.3 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A51 L52 A57 K58 L59 L120 | A51-A55 WeakPolarHBondContact O-CB 3.31Å; A51-A55 PolarHBondContact O-N 3.43Å; L52-A55 PolarHBondContact O-N 3Å; A55-A57 VanDerWaalsContact C-N 3.35Å; A55-K58 PolarHBondContact O-N 3.39Å; A55-K58 VanDerWaalsContact O-N 3.09Å; A55-L59 WeakPolarHBondContact O-CB 3.34Å; A55-L59 PolarHBondContact O-N 2.97Å; A55-L120 HydrophobicContact CB-CD2 4.11Å |
| 56 | S | 46.9 | Very low | 49.8 | Very low | 67 Ų | 67 | 84.3 Ų | 84.3 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -32.8 | 176.9 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | L52 A53 K58 A60 | L52-S56 WeakPolarHBondContact O-CB 3.17Å; L52-S56 PolarHBondContact O-N 3.49Å; L52-S56 PolarHBondContact O-OG 3.36Å; L52-S56 VanDerWaalsContact O-OG 3.12Å; A53-S56 WeakPolarHBondContact CA-OG 3.32Å; A53-S56 PolarHBondContact O-OG 2.88Å; S56-K58 PolarHBondContact O-N 2.91Å; S56-A60 VanDerWaalsContact O-CB 3.29Å; S56-A60 WeakPolarHBondContact O-CB 3.46Å; S56-A60 PolarHBondContact O-N 3.5Å |
| 57 | A | 49.4 | Very low | 49.7 | Very low | 67 Ų | 67 | 88.8 Ų | 88.8 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -24.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | A53 A55 | A53-A57 PolarHBondContact O-N 3.03Å; A55-A57 VanDerWaalsContact C-N 3.35Å |
| 58 | K | 47.7 | Very low | 49.5 | Very low | 153 Ų | 153 | 89 Ų | 89 | 67% | 0.665 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -95.2 | -31.8 | -179.5 | -140.6 | 166.7 | 179.4 | 171.1 | 0 | 112.7 | A55 S56 | A55-K58 PolarHBondContact O-N 3.39Å; A55-K58 VanDerWaalsContact O-N 3.09Å; S56-K58 PolarHBondContact O-N 2.91Å |
| 59 | L | 45.8 | Very low | 49.4 | Very low | 91 Ų | 91 | 91.5 Ų | 91.5 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -81.2 | -24.3 | 175.9 | -77.6 | 167.8 | 0 | 0 | 0 | 114 | A55 F61 G62 | A55-L59 WeakPolarHBondContact O-CB 3.34Å; A55-L59 PolarHBondContact O-N 2.97Å; L59-F61 PolarHBondContact O-N 3.34Å; L59-G62 PolarHBondContact O-N 3.38Å |
| 60 | A | 45.5 | Very low | 49.3 | Very low | 84 Ų | 84 | 88.6 Ų | 88.6 | 69% | 0.694 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S56 | S56-A60 VanDerWaalsContact O-CB 3.29Å; S56-A60 WeakPolarHBondContact O-CB 3.46Å; S56-A60 PolarHBondContact O-N 3.5Å |
| 61 | F | 50.1 | Low | 49.4 | Very low | 200 Ų | 200 | 91.2 Ų | 91.2 | 88% | 0.877 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -1.1 | 173.6 | -79.9 | -79.8 | 0 | 0 | 0 | 114.4 | L59 | L59-F61 PolarHBondContact O-N 3.34Š|
| 62 | G | 44.1 | Very low | 49.6 | Very low | 34 Ų | 34 | 90.5 Ų | 90.5 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -152.8 | 87.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L59 | L59-G62 PolarHBondContact O-N 3.38Š|
| 63 | S | 47 | Very low | 49.6 | Very low | 101 Ų | 101 | 88 Ų | 88 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | trans | 48.8 | 111.2 | 141.4 | -165.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 64 | E | 59.1 | Low | 49.8 | Very low | 177 Ų | 177 | 90.4 Ų | 90.4 | 83% | 0.827 | 54% | 0.542 | S | S | * | . | trans | 47.1 | 88.9 | 134.8 | -59 | -73.8 | 127 | 0 | 0 | 118.3 | ||||
| 65 | V | 45.6 | Very low | 50.1 | Low | 122 Ų | 122 | 92.4 Ų | 92.4 | 74% | 0.739 | 54% | 0.543 | S | S | * | . | trans | 176.8 | 153.2 | 151.7 | -94.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 66 | S | 55.6 | Low | 50.5 | Low | 76 Ų | 76 | 94.8 Ų | 94.8 | 53% | 0.531 | 56% | 0.556 | S | S | . | * | cis | -169.9 | 149.5 | -4.3 | 165.1 | 0 | 0 | 0 | 0 | 107.5 | G68 L69 | S66-G68 PolarHBondContact O-N 3.43Å; S66-G68 PolarHBondContact OG-N 2.92Å; S66-L69 PolarHBondContact O-N 2.96Å | ||
| 67 | M | 48.7 | Very low | 50.8 | Low | 156 Ų | 156 | 97.7 Ų | 97.7 | 77% | 0.768 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -43.9 | -22.4 | 169.8 | -156.8 | -178.4 | -71.9 | 0 | 0 | 113.9 | L69 C70 I71 | M67-L69 PolarHBondContact O-N 3.49Å; M67-C70 WeakPolarHBondContact O-CB 3.4Å; M67-C70 PolarHBondContact O-N 3.21Å; M67-I71 PolarHBondContact O-N 2.94Å |
| 68 | G | 47.3 | Very low | 50.8 | Low | 40 Ų | 40 | 97 Ų | 97 | 41% | 0.412 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.1 | -34.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S66 C70 I71 L72 | S66-G68 PolarHBondContact O-N 3.43Å; S66-G68 PolarHBondContact OG-N 2.92Å; G68-C70 VanDerWaalsContact C-N 3.32Å; G68-C70 PolarHBondContact O-N 2.89Å; G68-I71 PolarHBondContact O-N 3.36Å; G68-L72 WeakPolarHBondContact O-CB 3.4Å; G68-L72 PolarHBondContact O-N 3.4Å |
| 69 | L | 52.6 | Low | 51.2 | Low | 91 Ų | 91 | 92.1 Ų | 92.1 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 174.8 | -78.1 | 169.6 | 0 | 0 | 0 | 112 | S66 M67 G73 | S66-L69 PolarHBondContact O-N 2.96Å; M67-L69 PolarHBondContact O-N 3.49Å; L69-G73 PolarHBondContact O-N 3.45Å |
| 70 | C | 51.9 | Low | 51.5 | Low | 86 Ų | 86 | 90.3 Ų | 90.3 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -44.6 | 177.2 | -167 | 0 | 0 | 0 | 0 | 110.9 | M67 G68 L72 G73 I74 | M67-C70 WeakPolarHBondContact O-CB 3.4Å; M67-C70 PolarHBondContact O-N 3.21Å; G68-C70 VanDerWaalsContact C-N 3.32Å; G68-C70 PolarHBondContact O-N 2.89Å; C70-L72 PolarHBondContact O-N 2.93Å; C70-G73 PolarHBondContact O-N 3.38Å; C70-I74 WeakPolarHBondContact O-CG1 3.36Å; C70-I74 PolarHBondContact O-N 2.85Å |
| 71 | I | 51 | Low | 51.7 | Low | 98 Ų | 98 | 91.1 Ų | 91.1 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.8 | -63 | 173.8 | 0 | 0 | 0 | 110.8 | M67 G68 G73 I74 I75 | M67-I71 PolarHBondContact O-N 2.94Å; G68-I71 PolarHBondContact O-N 3.36Å; I71-G73 PolarHBondContact O-N 2.92Å; I71-I74 PolarHBondContact O-N 3.12Å; I71-I75 HydrophobicContact CG2-CD1 4.16Å; I71-I75 WeakPolarHBondContact O-CG1 3.33Å; I71-I75 PolarHBondContact O-N 3.3Å |
| 72 | L | 55.1 | Low | 51.5 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 19% | 0.188 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 176 | -172 | 67.8 | 0 | 0 | 0 | 112 | G68 C70 I74 I75 V76 V119 | G68-L72 WeakPolarHBondContact O-CB 3.4Å; G68-L72 PolarHBondContact O-N 3.4Å; C70-L72 PolarHBondContact O-N 2.93Å; L72-I74 VanDerWaalsContact C-N 3.29Å; L72-I74 PolarHBondContact O-N 2.87Å; L72-I75 PolarHBondContact O-N 3.32Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.24Å; L72-V119 HydrophobicContact CD1-CG1 3.88Å; L72-V119 HydrophobicContact CD2-CB 4.49Å; L72-V119 HydrophobicContact CD2-CG1 3.37Å; L72-V119 HydrophobicContact CG-CG1 4.28Å |
| 73 | G | 52.8 | Low | 51.9 | Low | 40 Ų | 40 | 87.3 Ų | 87.3 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -38.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L69 C70 I71 V76 M77 | L69-G73 PolarHBondContact O-N 3.45Å; C70-G73 PolarHBondContact O-N 3.38Å; I71-G73 PolarHBondContact O-N 2.92Å; G73-V76 PolarHBondContact O-N 3.32Å; G73-M77 VanDerWaalsContact O-CB 3.28Å; G73-M77 WeakPolarHBondContact O-CB 3.3Å; G73-M77 PolarHBondContact O-N 3.48Å |
| 74 | I | 52.1 | Low | 52 | Low | 108 Ų | 108 | 89.7 Ų | 89.7 | 55% | 0.554 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.7 | -40.3 | 174.6 | -68.2 | -179.7 | 0 | 0 | 0 | 111.6 | C70 I71 L72 V76 M77 A78 | C70-I74 WeakPolarHBondContact O-CG1 3.36Å; C70-I74 PolarHBondContact O-N 2.85Å; I71-I74 PolarHBondContact O-N 3.12Å; L72-I74 VanDerWaalsContact C-N 3.29Å; L72-I74 PolarHBondContact O-N 2.87Å; I74-V76 VanDerWaalsContact C-N 3.34Å; I74-V76 PolarHBondContact O-N 2.86Å; I74-M77 PolarHBondContact O-N 3.03Å; I74-A78 VanDerWaalsContact O-CB 3.27Å; I74-A78 WeakPolarHBondContact O-CB 3.45Å; I74-A78 PolarHBondContact O-N 3.01Å |
| 75 | I | 54.7 | Low | 51.1 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.1 | -66.7 | 169.2 | 0 | 0 | 0 | 110.5 | I71 L72 A78 S79 | I71-I75 HydrophobicContact CG2-CD1 4.16Å; I71-I75 WeakPolarHBondContact O-CG1 3.33Å; I71-I75 PolarHBondContact O-N 3.3Å; L72-I75 PolarHBondContact O-N 3.32Å; I75-A78 PolarHBondContact O-N 3.39Å; I75-S79 WeakPolarHBondContact O-CB 3.37Å; I75-S79 PolarHBondContact O-N 3.49Å; I75-S79 PolarHBondContact O-OG 3.4Å |
| 76 | V | 57.3 | Low | 51.2 | Low | 61 Ų | 61 | 87.6 Ų | 87.6 | 37% | 0.37 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 175.4 | 170.6 | 0 | 0 | 0 | 0 | 111 | L72 G73 I74 A78 S79 T80 L116 | L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.24Å; G73-V76 PolarHBondContact O-N 3.32Å; I74-V76 VanDerWaalsContact C-N 3.34Å; I74-V76 PolarHBondContact O-N 2.86Å; V76-A78 PolarHBondContact O-N 3.08Å; V76-S79 WeakPolarHBondContact CA-OG 3.41Å; V76-S79 PolarHBondContact O-N 3.45Å; V76-S79 PolarHBondContact O-OG 3.21Å; V76-T80 PolarHBondContact O-N 3.04Å; V76-T80 PolarHBondContact O-OG1 3.49Å; V76-L116 HydrophobicContact CG2-CD1 4.24Å |
| 77 | M | 53.2 | Low | 50.8 | Low | 129 Ų | 129 | 89.1 Ų | 89.1 | 64% | 0.635 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 175.6 | -169.4 | -171.1 | 141.1 | 0 | 0 | 111.7 | G73 I74 T80 N81 | G73-M77 VanDerWaalsContact O-CB 3.28Å; G73-M77 WeakPolarHBondContact O-CB 3.3Å; G73-M77 PolarHBondContact O-N 3.48Å; I74-M77 PolarHBondContact O-N 3.03Å; M77-T80 WeakPolarHBondContact CA-OG1 3.23Å; M77-T80 PolarHBondContact O-OG1 3.31Å; M77-N81 VanDerWaalsContact O-CB 3.25Å; M77-N81 WeakPolarHBondContact O-CB 3.49Å; M77-N81 PolarHBondContact O-N 3.5Å |
| 78 | A | 50.3 | Low | 50.4 | Low | 51 Ų | 51 | 89.3 Ų | 89.3 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I74 I75 V76 N81 S82 | I74-A78 VanDerWaalsContact O-CB 3.27Å; I74-A78 WeakPolarHBondContact O-CB 3.45Å; I74-A78 PolarHBondContact O-N 3.01Å; I75-A78 PolarHBondContact O-N 3.39Å; V76-A78 PolarHBondContact O-N 3.08Å; A78-N81 PolarHBondContact O-N 3.21Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.2Å; A78-S82 PolarHBondContact O-N 2.88Å; A78-S82 PolarHBondContact O-OG 2.72Å |
| 79 | S | 55.1 | Low | 50.1 | Low | 52 Ų | 52 | 90.9 Ų | 90.9 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 176.7 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | I75 V76 S82 L83 | I75-S79 WeakPolarHBondContact O-CB 3.37Å; I75-S79 PolarHBondContact O-N 3.49Å; I75-S79 PolarHBondContact O-OG 3.4Å; V76-S79 WeakPolarHBondContact CA-OG 3.41Å; V76-S79 PolarHBondContact O-N 3.45Å; V76-S79 PolarHBondContact O-OG 3.21Å; S79-S82 PolarHBondContact O-N 3.19Å; S79-L83 VanDerWaalsContact O-CB 3.26Å; S79-L83 WeakPolarHBondContact O-CB 3.34Å; S79-L83 VanDerWaalsContact O-CD1 3.32Å; S79-L83 WeakPolarHBondContact O-CD1 3.46Å; S79-L83 VanDerWaalsContact O-CG 3.25Å; S79-L83 WeakPolarHBondContact O-CG 3.42Å; S79-L83 PolarHBondContact O-N 2.96Å |
| 80 | T | 52.1 | Low | 49.7 | Very low | 52 Ų | 52 | 95.8 Ų | 95.8 | 32% | 0.319 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 174.8 | 32.1 | 0 | 0 | 0 | 0 | 111.9 | F41 V76 M77 M84 | F41-T80 HydrophobicContact CE2-CG2 4.07Å; V76-T80 PolarHBondContact O-N 3.04Å; V76-T80 PolarHBondContact O-OG1 3.49Å; M77-T80 WeakPolarHBondContact CA-OG1 3.23Å; M77-T80 PolarHBondContact O-OG1 3.31Å; T80-M84 PolarHBondContact O-N 2.93Å |
| 81 | N | 49.4 | Very low | 49.2 | Very low | 101 Ų | 101 | 95 Ų | 95 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 173.8 | -165.5 | -75.3 | 0 | 0 | 0 | 111.9 | M77 A78 M84 W85 | M77-N81 VanDerWaalsContact O-CB 3.25Å; M77-N81 WeakPolarHBondContact O-CB 3.49Å; M77-N81 PolarHBondContact O-N 3.5Å; A78-N81 PolarHBondContact O-N 3.21Å; N81-M84 WeakPolarHBondContact O-CB 3.38Å; N81-M84 PolarHBondContact O-N 3.35Å; N81-W85 PolarHBondContact O-N 3.27Å |
| 82 | S | 46.8 | Very low | 48.9 | Very low | 65 Ų | 65 | 97.6 Ų | 97.6 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 176.2 | -59 | 0 | 0 | 0 | 0 | 111.9 | A78 S79 M84 W85 T86 | A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.2Å; A78-S82 PolarHBondContact O-N 2.88Å; A78-S82 PolarHBondContact O-OG 2.72Å; S79-S82 PolarHBondContact O-N 3.19Å; S82-M84 PolarHBondContact O-N 2.92Å; S82-W85 WeakPolarHBondContact O-CB 3.44Å; S82-W85 PolarHBondContact O-N 2.85Å; S82-W85 VanDerWaalsContact O-N 3.14Å; S82-T86 PolarHBondContact O-N 3.41Å; S82-T86 PolarHBondContact O-OG1 3.24Å |
| 83 | L | 52.6 | Low | 48.3 | Very low | 90 Ų | 90 | 99.7 Ų | 99.7 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176 | -83.6 | 158.1 | 0 | 0 | 0 | 111.4 | S79 W85 T86 F87 | S79-L83 VanDerWaalsContact O-CB 3.26Å; S79-L83 WeakPolarHBondContact O-CB 3.34Å; S79-L83 VanDerWaalsContact O-CD1 3.32Å; S79-L83 WeakPolarHBondContact O-CD1 3.46Å; S79-L83 VanDerWaalsContact O-CG 3.25Å; S79-L83 WeakPolarHBondContact O-CG 3.42Å; S79-L83 PolarHBondContact O-N 2.96Å; L83-W85 VanDerWaalsContact C-N 3.26Å; L83-W85 PolarHBondContact O-N 2.94Å; L83-T86 PolarHBondContact O-N 3.31Å; L83-T86 VanDerWaalsContact O-N 3.12Å; L83-F87 HydrophobicContact CD2-CE2 4.27Å; L83-F87 WeakPolarHBondContact O-CB 3.33Å; L83-F87 VanDerWaalsContact O-CD2 3.28Å; L83-F87 WeakPolarHBondContact O-CD2 3.12Å; L83-F87 PolarHBondContact O-N 3.25Å |
| 84 | M | 48.1 | Very low | 48 | Very low | 150 Ų | 150 | 106.6 Ų | 106.6 | 74% | 0.739 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -55.8 | -43.4 | 174 | -179.6 | 177 | 176.6 | 0 | 0 | 111.5 | T80 N81 S82 F87 F88 | T80-M84 PolarHBondContact O-N 2.93Å; N81-M84 WeakPolarHBondContact O-CB 3.38Å; N81-M84 PolarHBondContact O-N 3.35Å; S82-M84 PolarHBondContact O-N 2.92Å; M84-F87 PolarHBondContact O-N 2.98Å; M84-F88 PolarHBondContact O-N 3.49Å; M84-F88 VanDerWaalsContact O-N 3.09Å |
| 85 | W | 40.3 | Very low | 47.5 | Very low | 191 Ų | 191 | 106.2 Ų | 106.2 | 72% | 0.723 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.2 | -36.7 | 178 | -149.7 | 8.5 | 0 | 0 | 0 | 112.3 | N81 S82 L83 F88 S89 | N81-W85 PolarHBondContact O-N 3.27Å; S82-W85 WeakPolarHBondContact O-CB 3.44Å; S82-W85 PolarHBondContact O-N 2.85Å; S82-W85 VanDerWaalsContact O-N 3.14Å; L83-W85 VanDerWaalsContact C-N 3.26Å; L83-W85 PolarHBondContact O-N 2.94Å; W85-F88 WeakPolarHBondContact O-CB 3.43Å; W85-F88 PolarHBondContact O-N 2.88Å; W85-S89 PolarHBondContact O-N 2.77Å; W85-S89 VanDerWaalsContact O-N 3.07Å; W85-S89 PolarHBondContact O-OG 3Å |
| 86 | T | 47.2 | Very low | 46.7 | Very low | 65 Ų | 65 | 110.1 Ų | 110.1 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.5 | -36.5 | 177.5 | -29.6 | 0 | 0 | 0 | 0 | 112 | S82 L83 S89 R90 | S82-T86 PolarHBondContact O-N 3.41Å; S82-T86 PolarHBondContact O-OG1 3.24Å; L83-T86 PolarHBondContact O-N 3.31Å; L83-T86 VanDerWaalsContact O-N 3.12Å; T86-S89 PolarHBondContact O-N 3.17Å; T86-R90 WeakPolarHBondContact O-CB 3.3Å; T86-R90 PolarHBondContact O-N 3.22Å |
| 87 | F | 48.8 | Very low | 46.1 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 47% | 0.469 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.8 | -32.8 | 175.5 | -92.7 | -77.9 | 0 | 0 | 0 | 112.5 | F37 L83 M84 G91 | F37-F87 HydrophobicContact CD2-CE1 4.11Å; F37-F87 HydrophobicContact CD2-CZ 4.24Å; F37-F87 AromaticContact CE2-CD1 3.92Å; F37-F87 HydrophobicContact CE2-CD1 3.92Å; F37-F87 AromaticContact CE2-CD2 3.99Å; F37-F87 HydrophobicContact CE2-CD2 3.99Å; F37-F87 AromaticContact CE2-CE1 3.48Å; F37-F87 HydrophobicContact CE2-CE1 3.48Å; F37-F87 VanDerWaalsContact CE2-CE1 3.48Å; F37-F87 AromaticContact CE2-CE2 3.58Å; F37-F87 HydrophobicContact CE2-CE2 3.58Å; F37-F87 HydrophobicContact CE2-CG 4.17Å; F37-F87 AromaticContact CE2-CZ 3.32Å; F37-F87 HydrophobicContact CE2-CZ 3.32Å; F37-F87 HydrophobicContact CZ-CD1 4.01Å; F37-F87 AromaticContact CZ-CD2 3.69Å; F37-F87 HydrophobicContact CZ-CD2 3.69Å; F37-F87 HydrophobicContact CZ-CE1 4.03Å; F37-F87 AromaticContact CZ-CE2 3.74Å; F37-F87 HydrophobicContact CZ-CE2 3.74Å; F37-F87 AromaticContact CZ-CG 3.86Å; F37-F87 HydrophobicContact CZ-CG 3.86Å; F37-F87 AromaticContact CZ-CZ 3.92Å; F37-F87 HydrophobicContact CZ-CZ 3.92Å; L83-F87 HydrophobicContact CD2-CE2 4.27Å; L83-F87 WeakPolarHBondContact O-CB 3.33Å; L83-F87 VanDerWaalsContact O-CD2 3.28Å; L83-F87 WeakPolarHBondContact O-CD2 3.12Å; L83-F87 PolarHBondContact O-N 3.25Å; M84-F87 PolarHBondContact O-N 2.98Å; F87-G91 PolarHBondContact O-N 3.33Å |
| 88 | F | 40.2 | Very low | 45.9 | Very low | 160 Ų | 160 | 108.3 Ų | 108.3 | 70% | 0.702 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.6 | -41 | 172.5 | -168.8 | -104.6 | 0 | 0 | 0 | 111.5 | M84 W85 | M84-F88 PolarHBondContact O-N 3.49Å; M84-F88 VanDerWaalsContact O-N 3.09Å; W85-F88 WeakPolarHBondContact O-CB 3.43Å; W85-F88 PolarHBondContact O-N 2.88Å |
| 89 | S | 40.5 | Very low | 45.8 | Very low | 74 Ų | 74 | 108.4 Ų | 108.4 | 52% | 0.517 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.7 | -33.6 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 114 | W85 T86 | W85-S89 PolarHBondContact O-N 2.77Å; W85-S89 VanDerWaalsContact O-N 3.07Å; W85-S89 PolarHBondContact O-OG 3Å; T86-S89 PolarHBondContact O-N 3.17Å |
| 90 | R | 43.4 | Very low | 45.3 | Very low | 193 Ų | 193 | 111.4 Ų | 111.4 | 73% | 0.728 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.3 | -27.4 | 177.1 | -93.7 | -176.4 | 157.6 | 148 | -3.7 | 114.1 | T86 L92 S93 | T86-R90 WeakPolarHBondContact O-CB 3.3Å; T86-R90 PolarHBondContact O-N 3.22Å; R90-L92 PolarHBondContact O-N 3.39Å; R90-L92 VanDerWaalsContact O-N 3.16Å; R90-S93 PolarHBondContact O-N 3.45Å |
| 91 | G | 42.3 | Very low | 45 | Very low | 71 Ų | 71 | 111 Ų | 111 | 73% | 0.732 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -18.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F87 | F87-G91 PolarHBondContact O-N 3.33Š|
| 92 | L | 45.5 | Very low | 45.1 | Very low | 151 Ų | 151 | 109.4 Ų | 109.4 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -11.5 | 174.4 | -76.2 | 163.8 | 0 | 0 | 0 | 114.2 | R90 | R90-L92 PolarHBondContact O-N 3.39Å; R90-L92 VanDerWaalsContact O-N 3.16Å |
| 93 | S | 42.3 | Very low | 45.3 | Very low | 81 Ų | 81 | 109.7 Ų | 109.7 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | -33.2 | -156.8 | -142.1 | 0 | 0 | 0 | 0 | 119 | R90 | R90-S93 PolarHBondContact O-N 3.45Š|
| 94 | F | 45.2 | Very low | 45.1 | Very low | 185 Ų | 185 | 109 Ų | 109 | 81% | 0.811 | 60% | 0.6 | S | S | * | * | trans | -155.6 | 111.9 | -172.1 | -91.1 | -92.6 | 0 | 0 | 0 | 110.1 | ||||
| 95 | S | 42.7 | Very low | 45.4 | Very low | 100 Ų | 100 | 103.9 Ų | 103.9 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | 44.7 | 112.6 | 60.6 | -146.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 96 | M | 38.3 | Very low | 46.2 | Very low | 183 Ų | 183 | 96.8 Ų | 96.8 | 90% | 0.901 | 56% | 0.555 | S | S | * | * | trans | 93.3 | 109.7 | 171.4 | -64.6 | -69.3 | 163.7 | 0 | 0 | 120.6 | ||||
| 97 | S | 43.7 | Very low | 46.5 | Very low | 77 Ų | 77 | 99.1 Ų | 99.1 | 54% | 0.538 | 56% | 0.56 | S | S | . | * | trans | 100.2 | 95 | 149.7 | -148.9 | 0 | 0 | 0 | 0 | 119.6 | A99 | S97-A99 PolarHBondContact O-N 2.81Š| ||
| 98 | S | 50 | Low | 46.4 | Very low | 75 Ų | 75 | 97.1 Ų | 97.1 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.5 | -18.5 | -173.9 | -164.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 99 | A | 46.8 | Very low | 47.4 | Very low | 54 Ų | 54 | 91.3 Ų | 91.3 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -86.1 | -41 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S97 A101 S102 V103 | S97-A99 PolarHBondContact O-N 2.81Å; A99-A101 VanDerWaalsContact C-N 3.3Å; A99-A101 PolarHBondContact O-N 2.91Å; A99-S102 PolarHBondContact O-N 3.47Å; A99-V103 WeakPolarHBondContact O-CG2 3.01Å; A99-V103 PolarHBondContact O-N 3.49Å; A99-V103 VanDerWaalsContact O-N 3.17Å |
| 100 | I | 45 | Very low | 48.2 | Very low | 114 Ų | 114 | 89.5 Ų | 89.5 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -38.2 | 177.5 | -77.4 | 162.4 | 0 | 0 | 0 | 110.8 | S102 V103 T104 | I100-S102 VanDerWaalsContact C-N 3.33Å; I100-S102 PolarHBondContact O-N 2.81Å; I100-V103 PolarHBondContact O-N 2.97Å; I100-T104 WeakPolarHBondContact O-CB 3.25Å; I100-T104 PolarHBondContact O-N 2.85Å; I100-T104 PolarHBondContact O-OG1 3.27Å |
| 101 | A | 46.9 | Very low | 48.9 | Very low | 44 Ų | 44 | 84.7 Ų | 84.7 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | M33 A99 V105 | M33-A101 HydrophobicContact CE-CB 4.23Å; A99-A101 VanDerWaalsContact C-N 3.3Å; A99-A101 PolarHBondContact O-N 2.91Å; A101-V105 WeakPolarHBondContact O-CB 3.5Å; A101-V105 PolarHBondContact O-N 2.84Å |
| 102 | S | 49.8 | Very low | 49.4 | Very low | 68 Ų | 68 | 83.7 Ų | 83.7 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76 | -31.1 | 179.5 | -163.6 | 0 | 0 | 0 | 0 | 112.6 | A99 I100 V105 T106 | A99-S102 PolarHBondContact O-N 3.47Å; I100-S102 VanDerWaalsContact C-N 3.33Å; I100-S102 PolarHBondContact O-N 2.81Å; S102-V105 WeakPolarHBondContact O-CG1 3.3Å; S102-T106 PolarHBondContact O-N 2.81Å; S102-T106 PolarHBondContact O-OG1 3.41Å |
| 103 | V | 51 | Low | 49.7 | Very low | 70 Ų | 70 | 79.5 Ų | 79.5 | 42% | 0.424 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | A99 I100 V105 T106 F107 | A99-V103 WeakPolarHBondContact O-CG2 3.01Å; A99-V103 PolarHBondContact O-N 3.49Å; A99-V103 VanDerWaalsContact O-N 3.17Å; I100-V103 PolarHBondContact O-N 2.97Å; V103-V105 VanDerWaalsContact C-N 3.27Å; V103-V105 PolarHBondContact O-N 2.72Å; V103-T106 PolarHBondContact O-N 3.45Å; V103-F107 VanDerWaalsContact O-CB 3.24Å; V103-F107 WeakPolarHBondContact O-CB 3.32Å; V103-F107 PolarHBondContact O-N 3.4Å |
| 104 | T | 50.2 | Low | 50.2 | Low | 76 Ų | 76 | 76.5 Ų | 76.5 | 47% | 0.466 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -34.7 | 177 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | I100 S108 | I100-T104 WeakPolarHBondContact O-CB 3.25Å; I100-T104 PolarHBondContact O-N 2.85Å; I100-T104 PolarHBondContact O-OG1 3.27Å; T104-S108 VanDerWaalsContact O-CB 3.23Å; T104-S108 WeakPolarHBondContact O-CB 3.35Å; T104-S108 PolarHBondContact O-N 3.39Å; T104-S108 PolarHBondContact O-OG 3.49Å |
| 105 | V | 52.7 | Low | 50.6 | Low | 43 Ų | 43 | 74.3 Ų | 74.3 | 26% | 0.261 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.5 | -39.8 | -179.5 | 89.6 | 0 | 0 | 0 | 0 | 112.7 | V40 A101 S102 V103 N109 | V40-V105 HydrophobicContact CB-CG2 4.14Å; V40-V105 HydrophobicContact CG1-CG2 3.36Å; V40-V105 HydrophobicContact CG2-CG1 4.17Å; V40-V105 HydrophobicContact CG2-CG2 3.86Å; A101-V105 WeakPolarHBondContact O-CB 3.5Å; A101-V105 PolarHBondContact O-N 2.84Å; S102-V105 WeakPolarHBondContact O-CG1 3.3Å; V103-V105 VanDerWaalsContact C-N 3.27Å; V103-V105 PolarHBondContact O-N 2.72Å; V105-N109 WeakPolarHBondContact O-CB 3.44Å; V105-N109 PolarHBondContact O-N 3.32Å |
| 106 | T | 56.9 | Low | 51.2 | Low | 42 Ų | 42 | 71.6 Ų | 71.6 | 26% | 0.258 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.8 | -40 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 111 | S102 V103 S108 N109 I110 L140 | S102-T106 PolarHBondContact O-N 2.81Å; S102-T106 PolarHBondContact O-OG1 3.41Å; V103-T106 PolarHBondContact O-N 3.45Å; T106-S108 PolarHBondContact O-N 2.8Å; T106-N109 PolarHBondContact O-N 2.77Å; T106-I110 HydrophobicContact CG2-CG1 4.4Å; T106-I110 WeakPolarHBondContact O-CG1 3.26Å; T106-I110 PolarHBondContact O-N 2.85Å; T106-L140 HydrophobicContact CG2-CD1 3.74Å; T106-L140 HydrophobicContact CG2-CD2 3.5Å; T106-L140 VanDerWaalsContact CG2-CD2 3.5Å; T106-L140 HydrophobicContact CG2-CG 4.24Å |
| 107 | F | 53.6 | Low | 51.8 | Low | 113 Ų | 113 | 63.9 Ų | 63.9 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 174.6 | -170.5 | -108 | 0 | 0 | 0 | 111.9 | V103 N109 I110 L111 | V103-F107 VanDerWaalsContact O-CB 3.24Å; V103-F107 WeakPolarHBondContact O-CB 3.32Å; V103-F107 PolarHBondContact O-N 3.4Å; F107-N109 PolarHBondContact O-N 2.85Å; F107-I110 PolarHBondContact O-N 3.41Å; F107-L111 HydrophobicContact CD1-CD1 3.6Å; F107-L111 HydrophobicContact CD2-CD1 4.29Å; F107-L111 HydrophobicContact CE1-CD1 3.14Å; F107-L111 HydrophobicContact CE2-CD1 3.89Å; F107-L111 HydrophobicContact CG-CD1 4.16Å; F107-L111 HydrophobicContact CZ-CD1 3.3Å; F107-L111 WeakPolarHBondContact O-CB 3.27Å; F107-L111 PolarHBondContact O-N 3.47Å |
| 108 | S | 48.3 | Very low | 52 | Low | 65 Ų | 65 | 66.4 Ų | 66.4 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | T104 T106 S112 | T104-S108 VanDerWaalsContact O-CB 3.23Å; T104-S108 WeakPolarHBondContact O-CB 3.35Å; T104-S108 PolarHBondContact O-N 3.39Å; T104-S108 PolarHBondContact O-OG 3.49Å; T106-S108 PolarHBondContact O-N 2.8Å; S108-S112 WeakPolarHBondContact O-CB 3.28Å; S108-S112 PolarHBondContact O-N 3.45Å |
| 109 | N | 59.6 | Low | 51.9 | Low | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.203 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 176.4 | -171.1 | -34.8 | 0 | 0 | 0 | 111.7 | L44 V105 T106 F107 S112 S113 | L44-N109 HydrophobicContact CD1-CB 3.75Å; L44-N109 WeakPolarHBondContact CD1-ND2 3.5Å; L44-N109 WeakPolarHBondContact CD1-OD1 3.31Å; V105-N109 WeakPolarHBondContact O-CB 3.44Å; V105-N109 PolarHBondContact O-N 3.32Å; T106-N109 PolarHBondContact O-N 2.77Å; F107-N109 PolarHBondContact O-N 2.85Å; N109-S112 PolarHBondContact O-N 3.06Å; N109-S113 WeakPolarHBondContact O-CB 3.37Å; N109-S113 PolarHBondContact O-N 3.28Å; N109-S113 PolarHBondContact O-OG 3.38Å |
| 110 | I | 58.9 | Low | 52.1 | Low | 37 Ų | 37 | 66 Ų | 66 | 19% | 0.19 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 175.5 | -65.1 | -81.8 | 0 | 0 | 0 | 111 | T106 F107 S113 A114 V133 I136 | T106-I110 HydrophobicContact CG2-CG1 4.4Å; T106-I110 WeakPolarHBondContact O-CG1 3.26Å; T106-I110 PolarHBondContact O-N 2.85Å; F107-I110 PolarHBondContact O-N 3.41Å; I110-S113 PolarHBondContact O-N 3.31Å; I110-A114 VanDerWaalsContact O-CB 3.25Å; I110-A114 WeakPolarHBondContact O-CB 3.39Å; I110-A114 PolarHBondContact O-N 3.14Å; I110-V133 HydrophobicContact CG2-CG1 4.14Å; I110-I136 HydrophobicContact CD1-CB 4.16Å; I110-I136 HydrophobicContact CD1-CD1 3.87Å; I110-I136 HydrophobicContact CD1-CG2 3.53Å; I110-I136 HydrophobicContact CG1-CG2 4.44Å |
| 111 | L | 57.9 | Low | 52.2 | Low | 92 Ų | 92 | 66.9 Ų | 66.9 | 48% | 0.482 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 176.8 | -110 | 122.5 | 0 | 0 | 0 | 112.2 | F107 A114 F115 | F107-L111 HydrophobicContact CD1-CD1 3.6Å; F107-L111 HydrophobicContact CD2-CD1 4.29Å; F107-L111 HydrophobicContact CE1-CD1 3.14Å; F107-L111 HydrophobicContact CE2-CD1 3.89Å; F107-L111 HydrophobicContact CG-CD1 4.16Å; F107-L111 HydrophobicContact CZ-CD1 3.3Å; F107-L111 WeakPolarHBondContact O-CB 3.27Å; F107-L111 PolarHBondContact O-N 3.47Å; L111-A114 PolarHBondContact O-N 3.39Å; L111-F115 WeakPolarHBondContact O-CB 3.38Å; L111-F115 PolarHBondContact O-N 3.25Å |
| 112 | S | 52.1 | Low | 52.2 | Low | 50 Ų | 50 | 67.9 Ų | 67.9 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | S108 N109 A114 L116 | S108-S112 WeakPolarHBondContact O-CB 3.28Å; S108-S112 PolarHBondContact O-N 3.45Å; N109-S112 PolarHBondContact O-N 3.06Å; S112-A114 VanDerWaalsContact C-N 3.32Å; S112-A114 PolarHBondContact O-N 3.15Å; S112-L116 VanDerWaalsContact O-CB 3.31Å; S112-L116 WeakPolarHBondContact O-CB 3.26Å; S112-L116 PolarHBondContact O-N 3.24Å |
| 113 | S | 52.7 | Low | 51.8 | Low | 62 Ų | 62 | 71.9 Ų | 71.9 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.3 | -35 | 176 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | N109 I110 G117 | N109-S113 WeakPolarHBondContact O-CB 3.37Å; N109-S113 PolarHBondContact O-N 3.28Å; N109-S113 PolarHBondContact O-OG 3.38Å; I110-S113 PolarHBondContact O-N 3.31Å; S113-G117 PolarHBondContact O-N 2.93Å |
| 114 | A | 52.4 | Low | 51.5 | Low | 18 Ų | 18 | 74.5 Ų | 74.5 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I110 L111 S112 G117 Y118 W129 | I110-A114 VanDerWaalsContact O-CB 3.25Å; I110-A114 WeakPolarHBondContact O-CB 3.39Å; I110-A114 PolarHBondContact O-N 3.14Å; L111-A114 PolarHBondContact O-N 3.39Å; S112-A114 VanDerWaalsContact C-N 3.32Å; S112-A114 PolarHBondContact O-N 3.15Å; A114-G117 PolarHBondContact O-N 3.48Å; A114-Y118 WeakPolarHBondContact O-CB 3.32Å; A114-Y118 PolarHBondContact O-N 3.42Å; A114-W129 HydrophobicContact CB-CH2 3.36Å; A114-W129 HydrophobicContact CB-CZ2 3.33Å |
| 115 | F | 54.4 | Low | 51.4 | Low | 139 Ų | 139 | 72.9 Ų | 72.9 | 61% | 0.61 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 178.9 | -167.8 | -97 | 0 | 0 | 0 | 110.8 | L111 Y118 V119 | L111-F115 WeakPolarHBondContact O-CB 3.38Å; L111-F115 PolarHBondContact O-N 3.25Å; F115-Y118 PolarHBondContact O-N 2.86Å; F115-V119 HydrophobicContact CD1-CG2 4.07Å; F115-V119 HydrophobicContact CE1-CG2 3.79Å; F115-V119 HydrophobicContact CZ-CG2 4.09Å; F115-V119 WeakPolarHBondContact O-CB 3.46Å; F115-V119 VanDerWaalsContact O-CG2 3.24Å; F115-V119 WeakPolarHBondContact O-CG2 3.03Å; F115-V119 PolarHBondContact O-N 3.27Å |
| 116 | L | 53.3 | Low | 51.2 | Low | 44 Ų | 44 | 78.2 Ų | 78.2 | 23% | 0.23 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 176.1 | -146.6 | 71.5 | 0 | 0 | 0 | 111.6 | A48 V76 S112 L120 | A48-L116 HydrophobicContact CB-CD2 4.14Å; V76-L116 HydrophobicContact CG2-CD1 4.24Å; S112-L116 VanDerWaalsContact O-CB 3.31Å; S112-L116 WeakPolarHBondContact O-CB 3.26Å; S112-L116 PolarHBondContact O-N 3.24Å; L116-L120 HydrophobicContact CG-CD1 4.02Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 WeakPolarHBondContact O-CD1 3.2Å; L116-L120 PolarHBondContact O-N 3.38Å |
| 117 | G | 52.3 | Low | 51 | Low | 21 Ų | 21 | 82.2 Ų | 82.2 | 22% | 0.216 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S113 A114 L120 Y121 | S113-G117 PolarHBondContact O-N 2.93Å; A114-G117 PolarHBondContact O-N 3.48Å; G117-L120 PolarHBondContact O-N 2.84Å; G117-Y121 PolarHBondContact O-N 2.92Å; G117-Y121 VanDerWaalsContact O-N 3.17Å |
| 118 | Y | 48.2 | Very low | 51 | Low | 130 Ų | 130 | 84.1 Ų | 84.1 | 51% | 0.51 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 176.9 | -178.1 | -104 | 0 | 0 | 0 | 111.9 | A114 F115 G122 | A114-Y118 WeakPolarHBondContact O-CB 3.32Å; A114-Y118 PolarHBondContact O-N 3.42Å; F115-Y118 PolarHBondContact O-N 2.86Å; Y118-G122 PolarHBondContact O-N 2.78Å |
| 119 | V | 47.3 | Very low | 51.7 | Low | 60 Ų | 60 | 84.9 Ų | 84.9 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.8 | -32.7 | 178.6 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | L72 F115 | L72-V119 HydrophobicContact CD1-CG1 3.88Å; L72-V119 HydrophobicContact CD2-CB 4.49Å; L72-V119 HydrophobicContact CD2-CG1 3.37Å; L72-V119 HydrophobicContact CG-CG1 4.28Å; F115-V119 HydrophobicContact CD1-CG2 4.07Å; F115-V119 HydrophobicContact CE1-CG2 3.79Å; F115-V119 HydrophobicContact CZ-CG2 4.09Å; F115-V119 WeakPolarHBondContact O-CB 3.46Å; F115-V119 VanDerWaalsContact O-CG2 3.24Å; F115-V119 WeakPolarHBondContact O-CG2 3.03Å; F115-V119 PolarHBondContact O-N 3.27Å |
| 120 | L | 50.5 | Low | 51.6 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 31% | 0.314 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73 | -35.4 | 177.5 | -104.5 | 102.2 | 0 | 0 | 0 | 113.6 | A55 L116 G117 | A55-L120 HydrophobicContact CB-CD2 4.11Å; L116-L120 HydrophobicContact CG-CD1 4.02Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 WeakPolarHBondContact O-CD1 3.2Å; L116-L120 PolarHBondContact O-N 3.38Å; G117-L120 PolarHBondContact O-N 2.84Å |
| 121 | Y | 48.3 | Very low | 51.8 | Low | 132 Ų | 132 | 90.8 Ų | 90.8 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -100.4 | -25.5 | -171.5 | -83.8 | -84.8 | 0 | 0 | 0 | 114.4 | G117 E123 | G117-Y121 PolarHBondContact O-N 2.92Å; G117-Y121 VanDerWaalsContact O-N 3.17Å; Y121-E123 PolarHBondContact O-N 3.47Å |
| 122 | G | 45.9 | Very low | 51.9 | Low | 66 Ų | 66 | 87.9 Ų | 87.9 | 68% | 0.68 | 48% | 0.479 | S | S | * | . | trans | 62.1 | -4.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y118 | Y118-G122 PolarHBondContact O-N 2.78Š| ||
| 123 | E | 42.1 | Very low | 52.4 | Low | 151 Ų | 151 | 87 Ų | 87 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -94.6 | 151 | 176.3 | -75.3 | -168.1 | 91.5 | 0 | 0 | 111.8 | Y121 Q125 | Y121-E123 PolarHBondContact O-N 3.47Å; E123-Q125 PolarHBondContact O-N 2.85Å |
| 124 | C | 44.5 | Very low | 52.9 | Low | 126 Ų | 126 | 91.5 Ų | 91.5 | 85% | 0.851 | 48% | 0.483 | S | S | * | . | trans | -58.1 | 101.5 | 173.6 | -75.6 | 0 | 0 | 0 | 0 | 109.3 | E126 | C124-E126 PolarHBondContact O-N 2.89Å; C124-E126 VanDerWaalsContact O-N 3.08Å | ||
| 125 | Q | 47 | Very low | 53.7 | Low | 41 Ų | 41 | 97 Ų | 97 | 19% | 0.192 | 51% | 0.51 | C | S | . | . | trans | -49.2 | 111.9 | -169.6 | -160.6 | 155 | -105.8 | 0 | 0 | 112.2 | E123 W129 | E123-Q125 PolarHBondContact O-N 2.85Å; Q125-W129 VanDerWaalsContact CD-CE2 3.47Å; Q125-W129 VanDerWaalsContact CD-CE3 3.49Å; Q125-W129 HydrophobicContact CG-CB 3.77Å; Q125-W129 HydrophobicContact CG-CD2 3.51Å; Q125-W129 HydrophobicContact CG-CE3 3.72Å; Q125-W129 HydrophobicContact CG-CG 3.53Å; Q125-W129 VanDerWaalsContact NE2-CE2 3.28Å; Q125-W129 VanDerWaalsContact NE2-CZ2 3.31Å | ||
| 126 | E | 50 | Low | 54.3 | Low | 155 Ų | 155 | 94.3 Ų | 94.3 | 72% | 0.724 | 50% | 0.501 | S | S | * | . | trans | -39.3 | 138.2 | -178.5 | -75.7 | -88.7 | 145.6 | 0 | 0 | 112.5 | C124 L128 W129 | C124-E126 PolarHBondContact O-N 2.89Å; C124-E126 VanDerWaalsContact O-N 3.08Å; E126-L128 PolarHBondContact O-N 3.46Å; E126-W129 VanDerWaalsContact O-CB 3.3Å; E126-W129 WeakPolarHBondContact O-CB 3.31Å; E126-W129 PolarHBondContact O-N 3.42Å | ||
| 127 | V | 51.7 | Low | 54.7 | Low | 127 Ų | 127 | 96.1 Ų | 96.1 | 77% | 0.77 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -53.5 | -27.2 | -176.5 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | W129 W130 G131 | V127-W129 VanDerWaalsContact C-N 3.29Å; V127-W129 PolarHBondContact O-N 2.63Å; V127-W130 PolarHBondContact O-N 3.12Å; V127-G131 PolarHBondContact O-N 2.87Å; V127-G131 VanDerWaalsContact O-N 3.15Å |
| 128 | L | 54 | Low | 55.1 | Low | 153 Ų | 153 | 98 Ų | 98 | 80% | 0.801 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -33.3 | 175.6 | -137.9 | 84.1 | 0 | 0 | 0 | 113.3 | E126 G131 G132 | E126-L128 PolarHBondContact O-N 3.46Å; L128-G131 PolarHBondContact O-N 3.35Å; L128-G132 PolarHBondContact O-N 2.97Å |
| 129 | W | 63.5 | Low | 55.8 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 31% | 0.307 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.8 | -41.3 | 179 | -178.2 | 93.6 | 0 | 0 | 0 | 111.6 | A114 Q125 E126 V127 G131 G132 V133 | A114-W129 HydrophobicContact CB-CH2 3.36Å; A114-W129 HydrophobicContact CB-CZ2 3.33Å; Q125-W129 VanDerWaalsContact CD-CE2 3.47Å; Q125-W129 VanDerWaalsContact CD-CE3 3.49Å; Q125-W129 HydrophobicContact CG-CB 3.77Å; Q125-W129 HydrophobicContact CG-CD2 3.51Å; Q125-W129 HydrophobicContact CG-CE3 3.72Å; Q125-W129 HydrophobicContact CG-CG 3.53Å; Q125-W129 VanDerWaalsContact NE2-CE2 3.28Å; Q125-W129 VanDerWaalsContact NE2-CZ2 3.31Å; E126-W129 VanDerWaalsContact O-CB 3.3Å; E126-W129 WeakPolarHBondContact O-CB 3.31Å; E126-W129 PolarHBondContact O-N 3.42Å; V127-W129 VanDerWaalsContact C-N 3.29Å; V127-W129 PolarHBondContact O-N 2.63Å; W129-G131 PolarHBondContact O-N 3.14Å; W129-G132 PolarHBondContact O-N 3.02Å; W129-V133 HydrophobicContact CD2-CG2 4.14Å; W129-V133 HydrophobicContact CE3-CG2 3.98Å; W129-V133 HydrophobicContact CH2-CG2 3.48Å; W129-V133 VanDerWaalsContact CH2-CG2 3.48Å; W129-V133 HydrophobicContact CZ2-CG2 3.62Å; W129-V133 HydrophobicContact CZ3-CG2 3.67Å; W129-V133 PolarHBondContact O-N 3.02Å |
| 130 | W | 57 | Low | 56.5 | Low | 158 Ų | 158 | 93.5 Ų | 93.5 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -39 | 171.8 | -73 | 101.5 | 0 | 0 | 0 | 111.2 | V127 G132 V133 F134 | V127-W130 PolarHBondContact O-N 3.12Å; W130-G132 VanDerWaalsContact C-N 3.35Å; W130-G132 PolarHBondContact O-N 2.92Å; W130-V133 PolarHBondContact O-N 3.41Å; W130-F134 WeakPolarHBondContact O-CB 3.28Å; W130-F134 PolarHBondContact O-N 2.86Å |
| 131 | G | 62 | Low | 56.9 | Low | 41 Ų | 41 | 94 Ų | 94 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | V127 L128 W129 F134 L135 | V127-G131 PolarHBondContact O-N 2.87Å; V127-G131 VanDerWaalsContact O-N 3.15Å; L128-G131 PolarHBondContact O-N 3.35Å; W129-G131 PolarHBondContact O-N 3.14Å; G131-F134 PolarHBondContact O-N 3.21Å; G131-L135 WeakPolarHBondContact O-CB 3.31Å; G131-L135 PolarHBondContact O-N 3.27Å |
| 132 | G | 61.3 | Low | 57.6 | Low | 30 Ų | 30 | 92.9 Ų | 92.9 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L128 W129 W130 F134 L135 I136 | L128-G132 PolarHBondContact O-N 2.97Å; W129-G132 PolarHBondContact O-N 3.02Å; W130-G132 VanDerWaalsContact C-N 3.35Å; W130-G132 PolarHBondContact O-N 2.92Å; G132-F134 VanDerWaalsContact C-N 3.34Å; G132-F134 PolarHBondContact O-N 2.93Å; G132-L135 PolarHBondContact O-N 3.45Å; G132-I136 WeakPolarHBondContact O-CG1 3.38Å; G132-I136 PolarHBondContact O-N 3.33Å |
| 133 | V | 62.2 | Low | 58.3 | Low | 31 Ų | 31 | 95.6 Ų | 95.6 | 19% | 0.188 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | I110 W129 W130 L135 I136 L137 | I110-V133 HydrophobicContact CG2-CG1 4.14Å; W129-V133 HydrophobicContact CD2-CG2 4.14Å; W129-V133 HydrophobicContact CE3-CG2 3.98Å; W129-V133 HydrophobicContact CH2-CG2 3.48Å; W129-V133 VanDerWaalsContact CH2-CG2 3.48Å; W129-V133 HydrophobicContact CZ2-CG2 3.62Å; W129-V133 HydrophobicContact CZ3-CG2 3.67Å; W129-V133 PolarHBondContact O-N 3.02Å; W130-V133 PolarHBondContact O-N 3.41Å; V133-L135 VanDerWaalsContact C-N 3.32Å; V133-L135 PolarHBondContact O-N 2.92Å; V133-I136 PolarHBondContact O-N 2.86Å; V133-L137 WeakPolarHBondContact O-CB 3.48Å; V133-L137 PolarHBondContact O-N 3.04Å |
| 134 | F | 63 | Low | 58.8 | Low | 158 Ų | 158 | 93.3 Ų | 93.3 | 69% | 0.693 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | 178.6 | -142.1 | -88.6 | 0 | 0 | 0 | 111.9 | W130 G131 G132 L137 C138 | W130-F134 WeakPolarHBondContact O-CB 3.28Å; W130-F134 PolarHBondContact O-N 2.86Å; G131-F134 PolarHBondContact O-N 3.21Å; G132-F134 VanDerWaalsContact C-N 3.34Å; G132-F134 PolarHBondContact O-N 2.93Å; F134-L137 PolarHBondContact O-N 3.16Å; F134-C138 WeakPolarHBondContact O-CB 3.49Å; F134-C138 PolarHBondContact O-N 3.33Å |
| 135 | L | 68.3 | Low | 59.2 | Low | 133 Ų | 133 | 97 Ų | 97 | 70% | 0.696 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.2 | -40.2 | 177.1 | -163.1 | 75.8 | 0 | 0 | 0 | 111.9 | G131 G132 V133 C138 G139 | G131-L135 WeakPolarHBondContact O-CB 3.31Å; G131-L135 PolarHBondContact O-N 3.27Å; G132-L135 PolarHBondContact O-N 3.45Å; V133-L135 VanDerWaalsContact C-N 3.32Å; V133-L135 PolarHBondContact O-N 2.92Å; L135-C138 PolarHBondContact O-N 3.09Å; L135-G139 PolarHBondContact O-N 3.5Å |
| 136 | I | 67.9 | Low | 59.2 | Low | 83 Ų | 83 | 103.7 Ų | 103.7 | 43% | 0.426 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 175.3 | -63.4 | 165 | 0 | 0 | 0 | 110.6 | I110 G132 V133 C138 G139 L140 | I110-I136 HydrophobicContact CD1-CB 4.16Å; I110-I136 HydrophobicContact CD1-CD1 3.87Å; I110-I136 HydrophobicContact CD1-CG2 3.53Å; I110-I136 HydrophobicContact CG1-CG2 4.44Å; G132-I136 WeakPolarHBondContact O-CG1 3.38Å; G132-I136 PolarHBondContact O-N 3.33Å; V133-I136 PolarHBondContact O-N 2.86Å; I136-C138 VanDerWaalsContact C-N 3.34Å; I136-C138 PolarHBondContact O-N 3.11Å; I136-G139 PolarHBondContact O-N 3.05Å; I136-L140 HydrophobicContact CG2-CD1 3.89Å; I136-L140 WeakPolarHBondContact O-CD1 3.43Å; I136-L140 PolarHBondContact O-N 3.26Å |
| 137 | L | 62 | Low | 58.9 | Low | 82 Ų | 82 | 102.6 Ų | 102.6 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.4 | -135.3 | 97.7 | 0 | 0 | 0 | 111.1 | V133 F134 L140 T141 | V133-L137 WeakPolarHBondContact O-CB 3.48Å; V133-L137 PolarHBondContact O-N 3.04Å; F134-L137 PolarHBondContact O-N 3.16Å; L137-L140 PolarHBondContact O-N 2.97Å; L137-T141 WeakPolarHBondContact O-CB 3.33Å; L137-T141 PolarHBondContact O-N 3.07Å; L137-T141 PolarHBondContact O-OG1 3.34Å |
| 138 | C | 60.9 | Low | 58.4 | Low | 59 Ų | 59 | 100.3 Ų | 100.3 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 177.2 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | F134 L135 I136 L140 T141 L142 | F134-C138 WeakPolarHBondContact O-CB 3.49Å; F134-C138 PolarHBondContact O-N 3.33Å; L135-C138 PolarHBondContact O-N 3.09Å; I136-C138 VanDerWaalsContact C-N 3.34Å; I136-C138 PolarHBondContact O-N 3.11Å; C138-L140 PolarHBondContact O-N 3.24Å; C138-T141 PolarHBondContact O-N 3.29Å; C138-L142 WeakPolarHBondContact O-CB 3.25Å; C138-L142 VanDerWaalsContact O-CG 3.31Å; C138-L142 WeakPolarHBondContact O-CG 3.49Å; C138-L142 PolarHBondContact O-N 3.05Å |
| 139 | G | 63 | Low | 58.2 | Low | 28 Ų | 28 | 98.5 Ų | 98.5 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L135 I136 T141 L142 I143 | L135-G139 PolarHBondContact O-N 3.5Å; I136-G139 PolarHBondContact O-N 3.05Å; G139-T141 VanDerWaalsContact C-N 3.34Å; G139-T141 PolarHBondContact O-N 3.29Å; G139-L142 PolarHBondContact O-N 2.77Å; G139-I143 WeakPolarHBondContact O-CD1 3.25Å; G139-I143 VanDerWaalsContact O-CG1 3.3Å; G139-I143 WeakPolarHBondContact O-CG1 3.49Å; G139-I143 PolarHBondContact O-N 2.63Å |
| 140 | L | 61.2 | Low | 57.1 | Low | 69 Ų | 69 | 99.6 Ų | 99.6 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 173.6 | -106.2 | 92.5 | 0 | 0 | 0 | 111.8 | T106 I136 L137 C138 I143 H144 | T106-L140 HydrophobicContact CG2-CD1 3.74Å; T106-L140 HydrophobicContact CG2-CD2 3.5Å; T106-L140 VanDerWaalsContact CG2-CD2 3.5Å; T106-L140 HydrophobicContact CG2-CG 4.24Å; I136-L140 HydrophobicContact CG2-CD1 3.89Å; I136-L140 WeakPolarHBondContact O-CD1 3.43Å; I136-L140 PolarHBondContact O-N 3.26Å; L137-L140 PolarHBondContact O-N 2.97Å; C138-L140 PolarHBondContact O-N 3.24Å; L140-I143 PolarHBondContact O-N 3.39Å; L140-H144 WeakPolarHBondContact O-CB 3.45Å; L140-H144 PolarHBondContact O-N 3.5Å |
| 141 | T | 59.6 | Low | 56.6 | Low | 71 Ų | 71 | 103.3 Ų | 103.3 | 44% | 0.436 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 180 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | L137 C138 G139 H144 R145 | L137-T141 WeakPolarHBondContact O-CB 3.33Å; L137-T141 PolarHBondContact O-N 3.07Å; L137-T141 PolarHBondContact O-OG1 3.34Å; C138-T141 PolarHBondContact O-N 3.29Å; G139-T141 VanDerWaalsContact C-N 3.34Å; G139-T141 PolarHBondContact O-N 3.29Å; T141-H144 PolarHBondContact O-N 2.81Å; T141-R145 WeakPolarHBondContact O-CG 3.31Å; T141-R145 PolarHBondContact O-N 2.99Å |
| 142 | L | 63.3 | Low | 55.3 | Low | 107 Ų | 107 | 109.5 Ų | 109.5 | 56% | 0.56 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.8 | -42.6 | 177.1 | -76.3 | 169.1 | 0 | 0 | 0 | 112.5 | C138 G139 H144 R145 K146 | C138-L142 WeakPolarHBondContact O-CB 3.25Å; C138-L142 VanDerWaalsContact O-CG 3.31Å; C138-L142 WeakPolarHBondContact O-CG 3.49Å; C138-L142 PolarHBondContact O-N 3.05Å; G139-L142 PolarHBondContact O-N 2.77Å; L142-H144 VanDerWaalsContact C-N 3.3Å; L142-H144 PolarHBondContact O-N 2.9Å; L142-R145 PolarHBondContact O-N 3.02Å; L142-K146 PolarHBondContact O-N 2.82Å |
| 143 | I | 60.8 | Low | 54.7 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.4 | -41.1 | 174.2 | -70.8 | 163.6 | 0 | 0 | 0 | 110.2 | G139 L140 K146 L147 | G139-I143 WeakPolarHBondContact O-CD1 3.25Å; G139-I143 VanDerWaalsContact O-CG1 3.3Å; G139-I143 WeakPolarHBondContact O-CG1 3.49Å; G139-I143 PolarHBondContact O-N 2.63Å; L140-I143 PolarHBondContact O-N 3.39Å; I143-K146 PolarHBondContact O-N 3.26Å; I143-L147 PolarHBondContact O-N 2.8Å |
| 144 | H | 52.3 | Low | 53.7 | Low | 102 Ų | 102 | 119.4 Ų | 119.4 | 47% | 0.472 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.5 | -28 | 178.9 | -156.3 | -71.9 | 0 | 0 | 0 | 113.1 | L140 T141 L142 K146 L147 | L140-H144 WeakPolarHBondContact O-CB 3.45Å; L140-H144 PolarHBondContact O-N 3.5Å; T141-H144 PolarHBondContact O-N 2.81Å; L142-H144 VanDerWaalsContact C-N 3.3Å; L142-H144 PolarHBondContact O-N 2.9Å; H144-K146 VanDerWaalsContact C-N 3.33Å; H144-L147 CarbonylContact O-C 3.56Å; H144-L147 PolarHBondContact O-N 2.86Å |
| 145 | R | 53.1 | Low | 52.9 | Low | 204 Ų | 204 | 117.7 Ų | 117.7 | 77% | 0.77 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.8 | -23.7 | 173 | -74.1 | -169.5 | 99.9 | 130 | 6.6 | 113.3 | T141 L142 L147 | T141-R145 WeakPolarHBondContact O-CG 3.31Å; T141-R145 PolarHBondContact O-N 2.99Å; L142-R145 PolarHBondContact O-N 3.02Å; R145-L147 VanDerWaalsContact C-N 3.35Å |
| 146 | K | 47.2 | Very low | 52 | Low | 181 Ų | 181 | 118.7 Ų | 118.7 | 79% | 0.787 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.2 | -14.9 | 173.8 | -70.9 | -72.6 | -173.3 | 176.2 | 0 | 113.4 | L142 I143 H144 P148 | L142-K146 PolarHBondContact O-N 2.82Å; I143-K146 PolarHBondContact O-N 3.26Å; H144-K146 VanDerWaalsContact C-N 3.33Å; K146-P148 WeakPolarHBondContact O-CD 3.44Å |
| 147 | L | 42.8 | Very low | 50.6 | Low | 132 Ų | 132 | 123.8 Ų | 123.8 | 69% | 0.691 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -96 | 82 | 161.6 | -107.9 | 75.6 | 0 | 0 | 0 | 108.2 | I143 H144 R145 | I143-L147 PolarHBondContact O-N 2.8Å; H144-L147 CarbonylContact O-C 3.56Å; H144-L147 PolarHBondContact O-N 2.86Å; R145-L147 VanDerWaalsContact C-N 3.35Å |
| 148 | P | 40.9 | Very low | 49.9 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | trans | -59 | 136.3 | 168.2 | 26.3 | -31.7 | 0 | 0 | 0 | 107.8 | K146 T150 | K146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-T150 HydrophobicContact CB-CG2 4.34Å; P148-T150 HydrophobicContact CG-CG2 4.1Å; P148-T150 PolarHBondContact O-N 2.84Å | ||
| 149 | P | 49.6 | Very low | 48.9 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 68% | 0.684 | S | S | * | * | trans | -66.7 | 87 | 158.3 | 29 | -29.4 | 0 | 0 | 0 | 105.6 | W151 | P149-W151 PolarHBondContact O-N 2.76Š| ||
| 150 | T | 41.3 | Very low | 48.2 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 64% | 0.644 | 70% | 0.703 | S | S | * | * | trans | -70.7 | 71.9 | 168.2 | 39.2 | 0 | 0 | 0 | 0 | 108.2 | P148 K152 | P148-T150 HydrophobicContact CB-CG2 4.34Å; P148-T150 HydrophobicContact CG-CG2 4.1Å; P148-T150 PolarHBondContact O-N 2.84Å; T150-K152 PolarHBondContact O-N 2.82Å; T150-K152 VanDerWaalsContact O-N 3.15Å | ||
| 151 | W | 45.6 | Very low | 47.5 | Very low | 236 Ų | 236 | 146.1 Ų | 146.1 | 89% | 0.894 | 72% | 0.721 | S | S | * | * | trans | -68.1 | 95.9 | 142.2 | -90.2 | 68.6 | 0 | 0 | 0 | 105.2 | P149 P153 | P149-W151 PolarHBondContact O-N 2.76Å; W151-P153 WeakPolarHBondContact O-CD 3.41Å | ||
| 152 | K | 35 | Very low | 46.8 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -78.9 | 105.6 | 158.9 | -71.6 | -178.6 | -178.9 | 179.4 | 0 | 105.9 | T150 L154 | T150-K152 PolarHBondContact O-N 2.82Å; T150-K152 VanDerWaalsContact O-N 3.15Å; K152-L154 PolarHBondContact O-N 2.86Å; K152-L154 VanDerWaalsContact O-N 3.14Å | ||
| 153 | P | 48.3 | Very low | 45.8 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -68.9 | 104.9 | 155 | 28.6 | -29.7 | 0 | 0 | 0 | 106.1 | W151 | W151-P153 WeakPolarHBondContact O-CD 3.41Š| ||
| 154 | L | 41.7 | Very low | 44.9 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | trans | -64 | 129.2 | 168.7 | -86.3 | 157.5 | 0 | 0 | 0 | 108 | K152 H156 | K152-L154 PolarHBondContact O-N 2.86Å; K152-L154 VanDerWaalsContact O-N 3.14Å; L154-H156 PolarHBondContact O-N 3.31Å | ||
| 155 | P | 45.7 | Very low | 44.4 | Very low | 121 Ų | 121 | 158.1 Ų | 158.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -67.2 | 124.2 | 174.7 | 27.4 | -31.3 | 0 | 0 | 0 | 109.1 | K157 | P155-K157 PolarHBondContact O-N 3.25Š| ||
| 156 | H | 50 | Low | 43.8 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -78.5 | 109.2 | 173.8 | -166.3 | 67.3 | 0 | 0 | 0 | 109.8 | L154 Q158 | L154-H156 PolarHBondContact O-N 3.31Å; H156-Q158 VanDerWaalsContact NE2-CG 3.33Å; H156-Q158 WeakPolarHBondContact NE2-CG 3.19Å | ||
| 157 | K | 38.9 | Very low | 43.5 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -147.9 | 101.8 | 156.6 | -80.7 | -62.7 | -168.1 | -171.5 | 0 | 104.9 | P155 | P155-K157 PolarHBondContact O-N 3.25Š| ||
| 158 | Q | 46.7 | Very low | 43.6 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | 39.1 | 81 | 63.7 | -65.8 | -72 | -47.5 | 0 | 0 | 110.8 | H156 | H156-Q158 VanDerWaalsContact NE2-CG 3.33Å; H156-Q158 WeakPolarHBondContact NE2-CG 3.19Å | |||
| 159 | Q | 39.5 | Very low | 43.9 | Very low | 269 Ų | 269 | 161.4 Ų | 161.4 | 100% | 1.257 | 80% | 0.804 | S | S | * | * | -167 | 0 | 115.1 | -145.6 | 167.8 | -69 | 0 | 0 | 111.1 |
Retrieved 159 of 159 residues in 185.6 ms
(Link to these results)