| 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 | 34.4 | Very low | 37.5 | Very low | 245 Ų | 245 | 134.4 Ų | 134.4 | 100% | 1.207 | 87% | 0.867 | S | S | * | * | 0 | 121.9 | 0 | -159.7 | 174.4 | -176.9 | 0 | 0 | 106.5 | |||||
| 2 | A | 35.8 | Very low | 37.2 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | 66 | 107.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3 | E | 38.9 | Very low | 38.2 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 91% | 0.911 | 85% | 0.854 | S | S | * | * | trans | -58.7 | 153.9 | 143.1 | -75.9 | 169.2 | 93.6 | 0 | 0 | 111.7 | ||||
| 4 | A | 38.8 | Very low | 38 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 72% | 0.719 | 85% | 0.849 | S | S | * | * | trans | -162.2 | 124.9 | 135.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 5 | E | 39.3 | Very low | 38 | Very low | 199 Ų | 199 | 125.9 Ų | 125.9 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | trans | 39.3 | 135.7 | 140.1 | -62.3 | -178.3 | 112.9 | 0 | 0 | 119.7 | ||||
| 6 | G | 34.2 | Very low | 37.8 | Very low | 67 Ų | 67 | 122.8 Ų | 122.8 | 69% | 0.691 | 84% | 0.844 | S | S | * | * | cis | 147.4 | 177.7 | 20.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 7 | V | 33.3 | Very low | 38.1 | Very low | 158 Ų | 158 | 123 Ų | 123 | 96% | 0.958 | 84% | 0.842 | S | S | * | * | trans | 104.4 | 126.2 | 164 | -169.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 8 | A | 37.3 | Very low | 38.6 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 84% | 0.842 | S | S | * | * | trans | -71.9 | 153.7 | -169 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 9 | A | 30.6 | Very low | 39 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -149.5 | 130.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 10 | A | 34.6 | Very low | 39.3 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | trans | -140.9 | 166.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 11 | P | 54.8 | Low | 39.3 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | cis | -133.1 | 161.2 | -46.3 | 35 | -19 | 0 | 0 | 0 | 114.5 | ||||
| 12 | G | 34.2 | Very low | 39.7 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 98.5 | 163 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 13 | P | 50 | Low | 40.2 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -133.5 | 167.8 | -5.4 | 39.9 | -22.5 | 0 | 0 | 0 | 116.2 | ||||
| 14 | A | 35.6 | Very low | 40.5 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 63.8 | 142.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 15 | S | 37.6 | Very low | 41.1 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | cis | -174.3 | 135.8 | 18.4 | 23.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 16 | G | 34.6 | Very low | 41.7 | Very low | 76 Ų | 76 | 118.6 Ų | 118.6 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | trans | 93.9 | 147.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 17 | P | 42.9 | Very low | 42.8 | Very low | 127 Ų | 127 | 116.6 Ų | 116.6 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | cis | -127.9 | 115 | 4.8 | 35.1 | -15.2 | 0 | 0 | 0 | 113.8 | ||||
| 18 | T | 47.1 | Very low | 44 | Very low | 137 Ų | 137 | 110.7 Ų | 110.7 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | trans | -110.4 | 3.4 | 170.5 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | R20 | T18-R20 PolarHBondContact O-N 3.02Š| ||
| 19 | L | 46.5 | Very low | 45.1 | Very low | 129 Ų | 129 | 112.4 Ų | 112.4 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.2 | -10.8 | -170.9 | -148.2 | 78.7 | 0 | 0 | 0 | 114.8 | ||
| 20 | R | 44.5 | Very low | 46.8 | Very low | 232 Ų | 232 | 111.4 Ų | 111.4 | 88% | 0.875 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.2 | -24.1 | -176.4 | -147.3 | 174.7 | -156.8 | -174.4 | 5.5 | 113.8 | T18 | T18-R20 PolarHBondContact O-N 3.02Å |
| 21 | G | 39.9 | Very low | 48.1 | Very low | 44 Ų | 44 | 111.5 Ų | 111.5 | 45% | 0.454 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -83.3 | -24.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T24 M25 | G21-T24 PolarHBondContact O-OG1 3.07Å; G21-T24 VanDerWaalsContact O-OG1 3.09Å; G21-M25 PolarHBondContact O-N 2.92Å |
| 22 | R | 42.5 | Very low | 48.8 | Very low | 209 Ų | 209 | 109.1 Ų | 109.1 | 79% | 0.789 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.6 | -28.3 | -175.2 | -157.3 | 172.6 | -168.7 | -176.1 | 2.7 | 113.3 | S26 | R22-S26 PolarHBondContact O-N 3.03Å; R22-S26 VanDerWaalsContact O-N 3.11Å |
| 23 | R | 46 | Very low | 50.5 | Low | 195 Ų | 195 | 110.9 Ų | 110.9 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77.5 | -32.4 | -178.3 | -126.8 | -177.5 | -80.9 | -176.4 | -6.2 | 112.8 | S26 G27 | R23-S26 PolarHBondContact O-N 3.48Å; R23-G27 PolarHBondContact O-N 3.26Å |
| 24 | T | 46.3 | Very low | 51.2 | Low | 97 Ų | 97 | 110.1 Ų | 110.1 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.4 | -37.6 | 175.3 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | G21 S26 S28 | G21-T24 PolarHBondContact O-OG1 3.07Å; G21-T24 VanDerWaalsContact O-OG1 3.09Å; T24-S26 VanDerWaalsContact C-N 3.3Å; T24-S26 PolarHBondContact O-N 3.35Å; T24-S28 PolarHBondContact O-N 3.44Å |
| 25 | M | 51.7 | Low | 52.4 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 70% | 0.695 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.7 | -40.6 | 169.5 | -78.8 | -103.7 | 117.7 | 0 | 0 | 111 | G21 G27 S28 W29 | G21-M25 PolarHBondContact O-N 2.92Å; M25-G27 PolarHBondContact O-N 2.95Å; M25-S28 PolarHBondContact O-N 3.2Å; M25-S28 VanDerWaalsContact O-N 3.14Å; M25-W29 VanDerWaalsContact O-CD1 3.27Å; M25-W29 PolarHBondContact O-N 3.35Å |
| 26 | S | 52.1 | Low | 53.8 | Low | 40 Ų | 40 | 104.9 Ų | 104.9 | 28% | 0.28 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | -179.2 | -154.4 | 0 | 0 | 0 | 0 | 113.1 | R22 R23 T24 S28 W29 E30 | R22-S26 PolarHBondContact O-N 3.03Å; R22-S26 VanDerWaalsContact O-N 3.11Å; R23-S26 PolarHBondContact O-N 3.48Å; T24-S26 VanDerWaalsContact C-N 3.3Å; T24-S26 PolarHBondContact O-N 3.35Å; S26-S28 PolarHBondContact O-N 3.09Å; S26-W29 VanDerWaalsContact C-CD1 3.47Å; S26-W29 PolarHBondContact O-NE1 2.99Å; S26-W29 PolarHBondContact OG-NE1 3.06Å; S26-E30 WeakPolarHBondContact O-CG 3.43Å; S26-E30 PolarHBondContact O-N 3.49Å; S26-E30 PolarHBondContact OG-OE1 3.5Å |
| 27 | G | 57.5 | Low | 55.5 | Low | 25 Ų | 25 | 103.8 Ų | 103.8 | 26% | 0.258 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.6 | -13.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R23 M25 R31 | R23-G27 PolarHBondContact O-N 3.26Å; M25-G27 PolarHBondContact O-N 2.95Å; G27-R31 WeakPolarHBondContact O-CB 3.38Å; G27-R31 WeakPolarHBondContact O-CD 3.27Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å; G27-R31 PolarHBondContact O-N 3.47Å; G27-R31 PolarHBondContact O-NE 2.94Å |
| 28 | S | 58.3 | Low | 56.1 | Low | 35 Ų | 35 | 98.6 Ų | 98.6 | 25% | 0.245 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -81.7 | -49.1 | 174.8 | -154 | 0 | 0 | 0 | 0 | 111.9 | T24 M25 S26 E30 R31 D32 | T24-S28 PolarHBondContact O-N 3.44Å; M25-S28 PolarHBondContact O-N 3.2Å; M25-S28 VanDerWaalsContact O-N 3.14Å; S26-S28 PolarHBondContact O-N 3.09Å; S28-E30 VanDerWaalsContact C-N 3.28Å; S28-E30 PolarHBondContact O-N 2.97Å; S28-R31 VanDerWaalsContact CB-NH2 3.32Å; S28-R31 WeakPolarHBondContact O-CB 3.11Å; S28-R31 PolarHBondContact O-N 2.88Å; S28-R31 VanDerWaalsContact O-N 3.09Å; S28-R31 PolarHBondContact OG-NH2 3.47Å; S28-R31 VanDerWaalsContact OG-NH2 3.14Å; S28-D32 WeakPolarHBondContact O-CB 3.35Å; S28-D32 PolarHBondContact O-N 2.94Å; S28-D32 VanDerWaalsContact O-OD2 3.05Å |
| 29 | W | 60 | Low | 56.7 | Low | 132 Ų | 132 | 94.5 Ų | 94.5 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 179.4 | 73.4 | -96.8 | 0 | 0 | 0 | 112.1 | M25 S26 R31 D32 Q33 | M25-W29 VanDerWaalsContact O-CD1 3.27Å; M25-W29 PolarHBondContact O-N 3.35Å; S26-W29 VanDerWaalsContact C-CD1 3.47Å; S26-W29 PolarHBondContact O-NE1 2.99Å; S26-W29 PolarHBondContact OG-NE1 3.06Å; W29-R31 VanDerWaalsContact C-N 3.35Å; W29-D32 PolarHBondContact O-N 2.75Å; W29-Q33 VanDerWaalsContact CZ3-OE1 3.23Å; W29-Q33 VanDerWaalsContact O-CB 3.3Å; W29-Q33 WeakPolarHBondContact O-CB 3.34Å; W29-Q33 PolarHBondContact O-N 2.97Å |
| 30 | E | 67.2 | Low | 57.4 | Low | 84 Ų | 84 | 95.4 Ų | 95.4 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 174.5 | -72.9 | 163.5 | -158.5 | 0 | 0 | 111.9 | S26 S28 Q34 | S26-E30 WeakPolarHBondContact O-CG 3.43Å; S26-E30 PolarHBondContact O-N 3.49Å; S26-E30 PolarHBondContact OG-OE1 3.5Å; S28-E30 VanDerWaalsContact C-N 3.28Å; S28-E30 PolarHBondContact O-N 2.97Å; E30-Q34 WeakPolarHBondContact O-CB 3.29Å; E30-Q34 VanDerWaalsContact O-CG 3.28Å; E30-Q34 WeakPolarHBondContact O-CG 3.47Å; E30-Q34 PolarHBondContact O-N 3.4Å |
| 31 | R | 61.5 | Low | 58.2 | Low | 99 Ų | 99 | 86.8 Ų | 86.8 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.7 | -47 | 174 | -80.3 | -178.4 | -66.7 | 107.5 | -5.6 | 110.7 | G27 S28 W29 Q33 Q34 V35 I153 | G27-R31 WeakPolarHBondContact O-CB 3.38Å; G27-R31 WeakPolarHBondContact O-CD 3.27Å; G27-R31 WeakPolarHBondContact O-CG 3.46Å; G27-R31 PolarHBondContact O-N 3.47Å; G27-R31 PolarHBondContact O-NE 2.94Å; S28-R31 VanDerWaalsContact CB-NH2 3.32Å; S28-R31 WeakPolarHBondContact O-CB 3.11Å; S28-R31 PolarHBondContact O-N 2.88Å; S28-R31 VanDerWaalsContact O-N 3.09Å; S28-R31 PolarHBondContact OG-NH2 3.47Å; S28-R31 VanDerWaalsContact OG-NH2 3.14Å; W29-R31 VanDerWaalsContact C-N 3.35Å; R31-Q33 VanDerWaalsContact C-N 3.25Å; R31-Q33 PolarHBondContact O-N 3.27Å; R31-Q34 PolarHBondContact O-N 3.46Å; R31-Q34 VanDerWaalsContact O-N 3.14Å; R31-V35 WeakPolarHBondContact O-CB 3.48Å; R31-V35 VanDerWaalsContact O-CG2 3.24Å; R31-V35 WeakPolarHBondContact O-CG2 3.39Å; R31-V35 PolarHBondContact O-N 3.23Å; R31-I153 VanDerWaalsContact CD-CD1 3.44Å; R31-I153 HydrophobicContact CG-CD1 3.88Å |
| 32 | D | 67.9 | Low | 59 | Low | 80 Ų | 80 | 86.6 Ų | 86.6 | 43% | 0.428 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | -179.3 | -60.7 | -26.2 | 0 | 0 | 0 | 110.3 | S28 W29 V35 E36 | S28-D32 WeakPolarHBondContact O-CB 3.35Å; S28-D32 PolarHBondContact O-N 2.94Å; S28-D32 VanDerWaalsContact O-OD2 3.05Å; W29-D32 PolarHBondContact O-N 2.75Å; D32-V35 WeakPolarHBondContact O-CB 3.46Å; D32-V35 PolarHBondContact O-N 3.47Å; D32-E36 WeakPolarHBondContact O-CG 3.49Å; D32-E36 PolarHBondContact O-N 3.38Å |
| 33 | Q | 70.7 | Confident | 59.9 | Low | 110 Ų | 110 | 80.3 Ų | 80.3 | 51% | 0.514 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.2 | -35.3 | 175.6 | -162.9 | 172.1 | 7.3 | 0 | 0 | 113.3 | W29 R31 A37 | W29-Q33 VanDerWaalsContact CZ3-OE1 3.23Å; W29-Q33 VanDerWaalsContact O-CB 3.3Å; W29-Q33 WeakPolarHBondContact O-CB 3.34Å; W29-Q33 PolarHBondContact O-N 2.97Å; R31-Q33 VanDerWaalsContact C-N 3.25Å; R31-Q33 PolarHBondContact O-N 3.27Å; Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 3.49Å |
| 34 | Q | 64.8 | Low | 60.6 | Low | 106 Ų | 106 | 78.8 Ų | 78.8 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 172.2 | -75.7 | 176.1 | 3.7 | 0 | 0 | 112.1 | E30 R31 E36 A37 A38 | E30-Q34 WeakPolarHBondContact O-CB 3.29Å; E30-Q34 VanDerWaalsContact O-CG 3.28Å; E30-Q34 WeakPolarHBondContact O-CG 3.47Å; E30-Q34 PolarHBondContact O-N 3.4Å; R31-Q34 PolarHBondContact O-N 3.46Å; R31-Q34 VanDerWaalsContact O-N 3.14Å; Q34-E36 VanDerWaalsContact C-N 3.34Å; Q34-A37 PolarHBondContact O-N 2.95Å; Q34-A38 VanDerWaalsContact O-CB 3.29Å; Q34-A38 WeakPolarHBondContact O-CB 3.42Å; Q34-A38 PolarHBondContact O-N 3.43Å |
| 35 | V | 60.6 | Low | 61.1 | Low | 17 Ų | 17 | 78.8 Ų | 78.8 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 172.5 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | R31 D32 A37 A38 Q39 A145 V149 | R31-V35 WeakPolarHBondContact O-CB 3.48Å; R31-V35 VanDerWaalsContact O-CG2 3.24Å; R31-V35 WeakPolarHBondContact O-CG2 3.39Å; R31-V35 PolarHBondContact O-N 3.23Å; D32-V35 WeakPolarHBondContact O-CB 3.46Å; D32-V35 PolarHBondContact O-N 3.47Å; V35-A37 PolarHBondContact O-N 3.1Å; V35-A38 PolarHBondContact O-N 3.41Å; V35-Q39 WeakPolarHBondContact O-CB 3.48Å; V35-Q39 PolarHBondContact O-N 3.47Å; V35-A145 HydrophobicContact CG1-CB 3.88Å; V35-V149 HydrophobicContact CB-CG2 4.28Å; V35-V149 HydrophobicContact CG2-CB 3.73Å; V35-V149 HydrophobicContact CG2-CG1 3.88Å; V35-V149 HydrophobicContact CG2-CG2 3.49Å; V35-V149 VanDerWaalsContact CG2-CG2 3.49Å |
| 36 | E | 67.9 | Low | 61.2 | Low | 88 Ų | 88 | 74.8 Ų | 74.8 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 178.8 | -75.9 | -175.5 | -166.5 | 0 | 0 | 113.1 | D32 Q34 Q39 R40 | D32-E36 WeakPolarHBondContact O-CG 3.49Å; D32-E36 PolarHBondContact O-N 3.38Å; Q34-E36 VanDerWaalsContact C-N 3.34Å; E36-Q39 PolarHBondContact O-N 2.83Å; E36-R40 VanDerWaalsContact O-CG 3.3Å; E36-R40 WeakPolarHBondContact O-CG 3.02Å; E36-R40 PolarHBondContact O-N 3.31Å; E36-R40 IonicContact OE2-CZ 3.65Å; E36-R40 IonicContact OE2-NH1 3.64Å; E36-R40 IonicContact OE2-NH2 2.81Å; E36-R40 PolarHBondContact OE2-NH2 3.32Å |
| 37 | A | 69.2 | Low | 61.4 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 44% | 0.438 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q33 Q34 V35 Q39 R40 A41 | Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 3.49Å; Q34-A37 PolarHBondContact O-N 2.95Å; V35-A37 PolarHBondContact O-N 3.1Å; A37-Q39 VanDerWaalsContact C-N 3.33Å; A37-R40 PolarHBondContact O-N 2.88Å; A37-A41 PolarHBondContact O-N 3.24Å |
| 38 | A | 55.8 | Low | 61.6 | Low | 17 Ų | 17 | 77.9 Ų | 77.9 | 14% | 0.14 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q34 V35 A41 L42 | Q34-A38 VanDerWaalsContact O-CB 3.29Å; Q34-A38 WeakPolarHBondContact O-CB 3.42Å; Q34-A38 PolarHBondContact O-N 3.43Å; V35-A38 PolarHBondContact O-N 3.41Å; A38-A41 PolarHBondContact O-N 2.97Å; A38-L42 WeakPolarHBondContact O-CB 3.37Å; A38-L42 PolarHBondContact O-N 3.17Å |
| 39 | Q | 59.8 | Low | 61.3 | Low | 51 Ų | 51 | 82.6 Ų | 82.6 | 24% | 0.238 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 174.3 | -175.6 | -177.5 | -7 | 0 | 0 | 110.8 | V35 E36 A37 A41 L42 V43 C141 A145 | V35-Q39 WeakPolarHBondContact O-CB 3.48Å; V35-Q39 PolarHBondContact O-N 3.47Å; E36-Q39 PolarHBondContact O-N 2.83Å; A37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-A41 PolarHBondContact O-N 3.49Å; Q39-L42 PolarHBondContact O-N 3.46Å; Q39-V43 WeakPolarHBondContact O-CB 3.17Å; Q39-V43 WeakPolarHBondContact O-CG2 3.33Å; Q39-V43 PolarHBondContact O-N 3.3Å; Q39-C141 VanDerWaalsContact CG-SG 3.6Å; Q39-A145 HydrophobicContact CB-CB 4.37Å |
| 40 | R | 61.6 | Low | 61.1 | Low | 148 Ų | 148 | 81.2 Ų | 81.2 | 56% | 0.558 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 177.6 | -71.3 | 178 | -163.5 | 106.5 | 4.8 | 112.2 | E36 A37 V43 E44 | E36-R40 VanDerWaalsContact O-CG 3.3Å; E36-R40 WeakPolarHBondContact O-CG 3.02Å; E36-R40 PolarHBondContact O-N 3.31Å; E36-R40 IonicContact OE2-CZ 3.65Å; E36-R40 IonicContact OE2-NH1 3.64Å; E36-R40 IonicContact OE2-NH2 2.81Å; E36-R40 PolarHBondContact OE2-NH2 3.32Å; A37-R40 PolarHBondContact O-N 2.88Å; R40-V43 PolarHBondContact O-N 2.82Å; R40-E44 PolarHBondContact O-N 3.26Å |
| 41 | A | 61.3 | Low | 60.6 | Low | 51 Ų | 51 | 79.8 Ų | 79.8 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A37 A38 Q39 V45 | A37-A41 PolarHBondContact O-N 3.24Å; A38-A41 PolarHBondContact O-N 2.97Å; Q39-A41 PolarHBondContact O-N 3.49Å; A41-V45 VanDerWaalsContact O-CG2 3.3Å; A41-V45 WeakPolarHBondContact O-CG2 3.17Å; A41-V45 PolarHBondContact O-N 3.31Å; A41-V45 VanDerWaalsContact O-N 3.16Å |
| 42 | L | 57.1 | Low | 60.3 | Low | 41 Ų | 41 | 79.3 Ų | 79.3 | 22% | 0.215 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 173.7 | -112.8 | 85.3 | 0 | 0 | 0 | 111.2 | A38 Q39 V45 L46 V144 | A38-L42 WeakPolarHBondContact O-CB 3.37Å; A38-L42 PolarHBondContact O-N 3.17Å; Q39-L42 PolarHBondContact O-N 3.46Å; L42-V45 PolarHBondContact O-N 2.79Å; L42-L46 HydrophobicContact CG-CD1 4.43Å; L42-L46 WeakPolarHBondContact O-CB 3.31Å; L42-L46 WeakPolarHBondContact O-CD1 3.44Å; L42-L46 PolarHBondContact O-N 2.85Å; L42-V144 HydrophobicContact CD2-CB 4.31Å; L42-V144 HydrophobicContact CD2-CG1 3.57Å |
| 43 | V | 61.1 | Low | 59.7 | Low | 77 Ų | 77 | 78.1 Ų | 78.1 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 179.9 | 169 | 0 | 0 | 0 | 0 | 111.5 | Q39 R40 G47 | Q39-V43 WeakPolarHBondContact O-CB 3.17Å; Q39-V43 WeakPolarHBondContact O-CG2 3.33Å; Q39-V43 PolarHBondContact O-N 3.3Å; R40-V43 PolarHBondContact O-N 2.82Å; V43-G47 WeakPolarHBondContact O-CA 3.26Å; V43-G47 PolarHBondContact O-N 3.46Å |
| 44 | E | 61.3 | Low | 59.2 | Low | 162 Ų | 162 | 75.3 Ų | 75.3 | 76% | 0.757 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.2 | -38.8 | 173.9 | -80.7 | -174.5 | 150.7 | 0 | 0 | 112.5 | R40 | R40-E44 PolarHBondContact O-N 3.26Å |
| 45 | V | 56.1 | Low | 58.9 | Low | 98 Ų | 98 | 77.8 Ų | 77.8 | 59% | 0.594 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -78.4 | -33.3 | -179.9 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | A41 L42 Y49 | A41-V45 VanDerWaalsContact O-CG2 3.3Å; A41-V45 WeakPolarHBondContact O-CG2 3.17Å; A41-V45 PolarHBondContact O-N 3.31Å; A41-V45 VanDerWaalsContact O-N 3.16Å; L42-V45 PolarHBondContact O-N 2.79Å; V45-Y49 WeakPolarHBondContact O-CD2 3.32Å |
| 46 | L | 54.5 | Low | 58.8 | Low | 56 Ų | 56 | 80.8 Ų | 80.8 | 29% | 0.293 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -91.6 | -14 | -179.5 | -90.4 | 63.4 | 0 | 0 | 0 | 113.7 | L42 P48 Y49 E50 L53 | L42-L46 HydrophobicContact CG-CD1 4.43Å; L42-L46 WeakPolarHBondContact O-CB 3.31Å; L42-L46 WeakPolarHBondContact O-CD1 3.44Å; L42-L46 PolarHBondContact O-N 2.85Å; L46-P48 VanDerWaalsContact C-CD 3.45Å; L46-P48 VanDerWaalsContact C-N 3.31Å; L46-Y49 CarbonylContact O-C 3.37Å; L46-Y49 WeakPolarHBondContact O-CA 3.4Å; L46-Y49 PolarHBondContact O-N 2.81Å; L46-E50 PolarHBondContact O-N 3.3Å; L46-L53 HydrophobicContact CB-CD1 4.35Å; L46-L53 HydrophobicContact CD2-CD1 3.76Å; L46-L53 HydrophobicContact CD2-CD2 3.77Å; L46-L53 HydrophobicContact CD2-CG 4.44Å; L46-L53 HydrophobicContact CG-CD1 3.78Å |
| 47 | G | 55.6 | Low | 58.5 | Low | 36 Ų | 36 | 77.5 Ų | 77.5 | 37% | 0.371 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -50.3 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V43 Y49 | V43-G47 WeakPolarHBondContact O-CA 3.26Å; V43-G47 PolarHBondContact O-N 3.46Å; G47-Y49 PolarHBondContact O-N 2.8Å |
| 48 | P | 61.9 | Low | 58.1 | Low | 95 Ų | 95 | 76.4 Ų | 76.4 | 62% | 0.617 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -68.4 | -18 | 174.3 | -19 | 31.8 | 0 | 0 | 0 | 114.5 | L46 | L46-P48 VanDerWaalsContact C-CD 3.45Å; L46-P48 VanDerWaalsContact C-N 3.31Å |
| 49 | Y | 51.3 | Low | 58.3 | Low | 133 Ų | 133 | 76.3 Ų | 76.3 | 52% | 0.522 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -108 | 2.9 | -174.8 | -60.4 | -80.1 | 0 | 0 | 0 | 113.3 | V45 L46 G47 P51 L52 L53 | V45-Y49 WeakPolarHBondContact O-CD2 3.32Å; L46-Y49 CarbonylContact O-C 3.37Å; L46-Y49 WeakPolarHBondContact O-CA 3.4Å; L46-Y49 PolarHBondContact O-N 2.81Å; G47-Y49 PolarHBondContact O-N 2.8Å; Y49-P51 VanDerWaalsContact C-CD 3.44Å; Y49-P51 VanDerWaalsContact C-N 3.35Å; Y49-L52 HydrophobicContact CD1-CD1 3.86Å; Y49-L52 CarbonylContact O-C 3.6Å; Y49-L52 WeakPolarHBondContact O-CA 3.48Å; Y49-L52 WeakPolarHBondContact O-CB 3.37Å; Y49-L52 PolarHBondContact O-N 2.86Å; Y49-L53 WeakPolarHBondContact O-CD1 3.4Å; Y49-L53 PolarHBondContact O-N 2.76Å |
| 50 | E | 57 | Low | 58.2 | Low | 104 Ų | 104 | 76.4 Ų | 76.4 | 49% | 0.486 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -47.4 | -44.6 | 175.6 | -171.3 | 173.3 | -168 | 0 | 0 | 114.4 | L46 L52 S54 V137 | L46-E50 PolarHBondContact O-N 3.3Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.34Å; E50-S54 WeakPolarHBondContact O-CB 3.37Å; E50-S54 PolarHBondContact O-N 3.07Å; E50-S54 PolarHBondContact O-OG 3.5Å; E50-V137 HydrophobicContact CG-CG1 4.44Å; E50-V137 HydrophobicContact CG-CG2 4.24Å |
| 51 | P | 56.9 | Low | 58.3 | Low | 54 Ų | 54 | 70 Ų | 70 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.6 | -19.6 | 177.2 | 28.6 | -35.6 | 0 | 0 | 0 | 113.7 | Y49 S54 R55 | Y49-P51 VanDerWaalsContact C-CD 3.44Å; Y49-P51 VanDerWaalsContact C-N 3.35Å; P51-S54 WeakPolarHBondContact CA-OG 3.45Å; P51-S54 PolarHBondContact O-OG 3.35Å; P51-S54 VanDerWaalsContact O-OG 3.13Å; P51-R55 VanDerWaalsContact O-CG 3.25Å; P51-R55 WeakPolarHBondContact O-CG 3.45Å; P51-R55 PolarHBondContact O-N 2.81Å; P51-R55 PolarHBondContact O-NE 3.46Å |
| 52 | L | 53.8 | Low | 58.3 | Low | 88 Ų | 88 | 71 Ų | 71 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -84.1 | -43.3 | 175.2 | -79.9 | 159.3 | 0 | 0 | 0 | 110.8 | Y49 E50 S54 R55 V56 | Y49-L52 HydrophobicContact CD1-CD1 3.86Å; Y49-L52 CarbonylContact O-C 3.6Å; Y49-L52 WeakPolarHBondContact O-CA 3.48Å; Y49-L52 WeakPolarHBondContact O-CB 3.37Å; Y49-L52 PolarHBondContact O-N 2.86Å; E50-L52 VanDerWaalsContact C-N 3.3Å; E50-L52 PolarHBondContact O-N 3.34Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.19Å; L52-R55 PolarHBondContact O-N 3.21Å; L52-V56 WeakPolarHBondContact O-CB 3.35Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.22Å; L52-V56 PolarHBondContact O-N 3.13Å |
| 53 | L | 56.2 | Low | 58.4 | Low | 56 Ų | 56 | 72.5 Ų | 72.5 | 29% | 0.293 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.1 | -92 | 111.6 | 0 | 0 | 0 | 111.5 | L46 Y49 R55 V56 Q57 L140 | L46-L53 HydrophobicContact CB-CD1 4.35Å; L46-L53 HydrophobicContact CD2-CD1 3.76Å; L46-L53 HydrophobicContact CD2-CD2 3.77Å; L46-L53 HydrophobicContact CD2-CG 4.44Å; L46-L53 HydrophobicContact CG-CD1 3.78Å; Y49-L53 WeakPolarHBondContact O-CD1 3.4Å; Y49-L53 PolarHBondContact O-N 2.76Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.19Å; L53-V56 PolarHBondContact O-N 2.81Å; L53-Q57 WeakPolarHBondContact O-CB 3.16Å; L53-Q57 PolarHBondContact O-N 3.37Å; L53-L140 HydrophobicContact CD2-CD2 4.05Å |
| 54 | S | 60.5 | Low | 58.3 | Low | 50 Ų | 50 | 75 Ų | 75 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 176.1 | 58 | 0 | 0 | 0 | 0 | 112.7 | E50 P51 L52 A58 | E50-S54 WeakPolarHBondContact O-CB 3.37Å; E50-S54 PolarHBondContact O-N 3.07Å; E50-S54 PolarHBondContact O-OG 3.5Å; P51-S54 WeakPolarHBondContact CA-OG 3.45Å; P51-S54 PolarHBondContact O-OG 3.35Å; P51-S54 VanDerWaalsContact O-OG 3.13Å; L52-S54 VanDerWaalsContact C-N 3.34Å; L52-S54 PolarHBondContact O-N 3.19Å; S54-A58 VanDerWaalsContact O-CB 3.23Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.18Å |
| 55 | R | 58 | Low | 58.4 | Low | 159 Ų | 159 | 71.3 Ų | 71.3 | 60% | 0.6 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.2 | -42.7 | 174 | -74.6 | 178.3 | -139.6 | 152.2 | 3.9 | 112.8 | P51 L52 L53 Q57 A58 A59 | P51-R55 VanDerWaalsContact O-CG 3.25Å; P51-R55 WeakPolarHBondContact O-CG 3.45Å; P51-R55 PolarHBondContact O-N 2.81Å; P51-R55 PolarHBondContact O-NE 3.46Å; L52-R55 PolarHBondContact O-N 3.21Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.19Å; R55-Q57 VanDerWaalsContact C-N 3.32Å; R55-A58 PolarHBondContact O-N 2.8Å; R55-A59 VanDerWaalsContact O-CB 3.3Å; R55-A59 WeakPolarHBondContact O-CB 3.47Å; R55-A59 PolarHBondContact O-N 3.47Å |
| 56 | V | 57.8 | Low | 58.9 | Low | 80 Ų | 80 | 70.4 Ų | 70.4 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 109.6 | L52 L53 A59 L60 | L52-V56 WeakPolarHBondContact O-CB 3.35Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.22Å; L52-V56 PolarHBondContact O-N 3.13Å; L53-V56 PolarHBondContact O-N 2.81Å; V56-A59 PolarHBondContact O-N 3.21Å; V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 VanDerWaalsContact O-CB 3.32Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 WeakPolarHBondContact O-CD1 3.06Å; V56-L60 PolarHBondContact O-N 3.41Å |
| 57 | Q | 62 | Low | 59.4 | Low | 19 Ų | 19 | 75 Ų | 75 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 174.9 | -174.5 | -179.8 | -17.8 | 0 | 0 | 111.4 | L53 R55 A59 L60 V61 L135 | L53-Q57 WeakPolarHBondContact O-CB 3.16Å; L53-Q57 PolarHBondContact O-N 3.37Å; R55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-A59 VanDerWaalsContact C-N 3.27Å; Q57-A59 PolarHBondContact O-N 2.96Å; Q57-L60 CarbonylContact O-C 3.52Å; Q57-L60 PolarHBondContact O-N 3.16Å; Q57-V61 HydrophobicContact CG-CG2 3.98Å; Q57-V61 WeakPolarHBondContact O-CB 3.28Å; Q57-V61 WeakPolarHBondContact O-CG2 3.23Å; Q57-V61 PolarHBondContact O-N 3.03Å; Q57-L135 PolarHBondContact NE2-O 2.76Å |
| 58 | A | 61.5 | Low | 60.1 | Low | 30 Ų | 30 | 73.4 Ų | 73.4 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S54 R55 W62 L134 | S54-A58 VanDerWaalsContact O-CB 3.23Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.18Å; R55-A58 PolarHBondContact O-N 2.8Å; A58-W62 PolarHBondContact O-N 3.34Å; A58-L134 HydrophobicContact CB-CD2 4.1Å |
| 59 | A | 59.3 | Low | 60.5 | Low | 15 Ų | 15 | 70.8 Ų | 70.8 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R55 V56 Q57 S68 W71 | R55-A59 VanDerWaalsContact O-CB 3.3Å; R55-A59 WeakPolarHBondContact O-CB 3.47Å; R55-A59 PolarHBondContact O-N 3.47Å; V56-A59 PolarHBondContact O-N 3.21Å; Q57-A59 VanDerWaalsContact C-N 3.27Å; Q57-A59 PolarHBondContact O-N 2.96Å; A59-S68 WeakPolarHBondContact O-CB 3.22Å; A59-W71 HydrophobicContact CB-CB 4.46Å; A59-W71 HydrophobicContact CB-CG 4.18Å |
| 60 | L | 58 | Low | 61.8 | Low | 53 Ų | 53 | 70.2 Ų | 70.2 | 28% | 0.277 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.3 | -30.1 | 177 | -102.6 | 65.4 | 0 | 0 | 0 | 113.3 | V56 Q57 W62 P204 | V56-L60 HydrophobicContact CG1-CD1 4.05Å; V56-L60 VanDerWaalsContact O-CB 3.32Å; V56-L60 WeakPolarHBondContact O-CB 3.42Å; V56-L60 WeakPolarHBondContact O-CD1 3.06Å; V56-L60 PolarHBondContact O-N 3.41Å; Q57-L60 CarbonylContact O-C 3.52Å; Q57-L60 PolarHBondContact O-N 3.16Å; L60-W62 VanDerWaalsContact C-N 3.29Å; L60-P204 HydrophobicContact CB-CB 4.16Å; L60-P204 HydrophobicContact CB-CG 3.91Å; L60-P204 HydrophobicContact CD2-CB 4.23Å; L60-P204 HydrophobicContact CD2-CG 3.67Å; L60-P204 HydrophobicContact CG-CB 4.36Å; L60-P204 HydrophobicContact CG-CG 3.64Å |
| 61 | V | 63.2 | Low | 62.7 | Low | 13 Ų | 13 | 73.1 Ų | 73.1 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.4 | -179.4 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | Q57 E63 Y208 | Q57-V61 HydrophobicContact CG-CG2 3.98Å; Q57-V61 WeakPolarHBondContact O-CB 3.28Å; Q57-V61 WeakPolarHBondContact O-CG2 3.23Å; Q57-V61 PolarHBondContact O-N 3.03Å; V61-E63 PolarHBondContact O-N 2.91Å; V61-Y208 HydrophobicContact CG1-CD2 3.9Å; V61-Y208 HydrophobicContact CG1-CE1 4.31Å; V61-Y208 HydrophobicContact CG1-CE2 3.66Å; V61-Y208 HydrophobicContact CG1-CG 4.32Å |
| 62 | W | 60.3 | Low | 63.6 | Low | 71 Ų | 71 | 71.9 Ų | 71.9 | 27% | 0.269 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 33.9 | 177 | -75.4 | 53.7 | 0 | 0 | 0 | 113.7 | A58 L60 R64 P65 A69 L205 | A58-W62 PolarHBondContact O-N 3.34Å; L60-W62 VanDerWaalsContact C-N 3.29Å; W62-R64 PolarHBondContact O-N 3.35Å; W62-R64 VanDerWaalsContact O-N 3.08Å; W62-P65 HydrophobicContact CE3-CB 4.17Å; W62-A69 HydrophobicContact CH2-CB 4.37Å; W62-A69 HydrophobicContact CZ3-CB 4.48Å; W62-L205 HydrophobicContact CB-CD1 3.87Å; W62-L205 HydrophobicContact CD2-CD1 3.66Å; W62-L205 HydrophobicContact CD2-CD2 4.46Å; W62-L205 HydrophobicContact CG-CD1 3.34Å; W62-L205 HydrophobicContact CZ2-CD2 4.15Å |
| 63 | E | 59.8 | Low | 64.9 | Low | 74 Ų | 74 | 73.4 Ų | 73.4 | 35% | 0.346 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -59.4 | -26.4 | 178.6 | -163.8 | -178 | -168.8 | 0 | 0 | 111.8 | V61 H131 L134 | V61-E63 PolarHBondContact O-N 2.91Å; E63-H131 IonicContact OE1-CD2 3.28Å; E63-H131 IonicContact OE1-CG 2.69Å; E63-L134 WeakPolarHBondContact OE1-CD1 3.33Å |
| 64 | R | 60.3 | Low | 66.1 | Low | 128 Ų | 128 | 72.5 Ų | 72.5 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -127.8 | 99.3 | 168.5 | -62 | -177.6 | -166.9 | -163.3 | 4.9 | 109.5 | W62 A66 R67 S68 | W62-R64 PolarHBondContact O-N 3.35Å; W62-R64 VanDerWaalsContact O-N 3.08Å; R64-A66 PolarHBondContact O-N 2.74Å; R64-A66 VanDerWaalsContact O-N 3.11Å; R64-R67 HydrophobicContact CB-CB 4.27Å; R64-R67 HydrophobicContact CB-CG 4.41Å; R64-R67 VanDerWaalsContact NH1-CZ 3.34Å; R64-R67 PolarHBondContact O-N 3.36Å; R64-S68 PolarHBondContact O-N 3.38Å; R64-S68 PolarHBondContact O-OG 2.87Å |
| 65 | P | 63.3 | Low | 67.1 | Low | 85 Ų | 85 | 73.5 Ų | 73.5 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.2 | -32.8 | -168.7 | 22.7 | -34 | 0 | 0 | 0 | 113.1 | W62 S68 A69 | W62-P65 HydrophobicContact CE3-CB 4.17Å; P65-S68 VanDerWaalsContact CA-OG 3.31Å; P65-S68 WeakPolarHBondContact CA-OG 3.46Å; P65-S68 PolarHBondContact O-OG 3.43Å; P65-A69 WeakPolarHBondContact O-CB 3.24Å; P65-A69 PolarHBondContact O-N 2.88Å |
| 66 | A | 66 | Low | 68.3 | Low | 80 Ų | 80 | 67.3 Ų | 67.3 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.7 | -37.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R64 L70 | R64-A66 PolarHBondContact O-N 2.74Å; R64-A66 VanDerWaalsContact O-N 3.11Å; A66-L70 WeakPolarHBondContact O-CB 3.34Å; A66-L70 PolarHBondContact O-N 2.95Å |
| 67 | R | 65.7 | Low | 69.3 | Low | 152 Ų | 152 | 66 Ų | 66 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -80.4 | -38.7 | -179.8 | -65.3 | -175.2 | -173.2 | 174.8 | -1.3 | 111.3 | R64 L70 W71 | R64-R67 HydrophobicContact CB-CB 4.27Å; R64-R67 HydrophobicContact CB-CG 4.41Å; R64-R67 VanDerWaalsContact NH1-CZ 3.34Å; R64-R67 PolarHBondContact O-N 3.36Å; R67-L70 WeakPolarHBondContact O-CB 3.3Å; R67-L70 PolarHBondContact O-N 2.93Å; R67-W71 VanDerWaalsContact O-CD1 3.23Å; R67-W71 PolarHBondContact O-N 2.75Å |
| 68 | S | 68.9 | Low | 70.2 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 173 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | A59 R64 P65 L70 W71 C72 | A59-S68 WeakPolarHBondContact O-CB 3.22Å; R64-S68 PolarHBondContact O-N 3.38Å; R64-S68 PolarHBondContact O-OG 2.87Å; P65-S68 VanDerWaalsContact CA-OG 3.31Å; P65-S68 WeakPolarHBondContact CA-OG 3.46Å; P65-S68 PolarHBondContact O-OG 3.43Å; S68-L70 VanDerWaalsContact C-N 3.34Å; S68-W71 PolarHBondContact O-N 2.84Å; S68-C72 VanDerWaalsContact O-CB 3.26Å; S68-C72 WeakPolarHBondContact O-CB 3.45Å; S68-C72 PolarHBondContact O-N 3.43Å |
| 69 | A | 71 | Confident | 71.1 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W62 P65 C72 L73 | W62-A69 HydrophobicContact CH2-CB 4.37Å; W62-A69 HydrophobicContact CZ3-CB 4.48Å; P65-A69 WeakPolarHBondContact O-CB 3.24Å; P65-A69 PolarHBondContact O-N 2.88Å; A69-C72 WeakPolarHBondContact O-CB 3.3Å; A69-C72 PolarHBondContact O-N 2.91Å; A69-L73 WeakPolarHBondContact O-CB 3.42Å; A69-L73 PolarHBondContact O-N 2.83Å |
| 70 | L | 77.6 | Confident | 72.2 | Confident | 121 Ų | 121 | 71.8 Ų | 71.8 | 63% | 0.634 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 173.7 | -167.3 | 80.6 | 0 | 0 | 0 | 111.9 | A66 R67 S68 L73 G74 | A66-L70 WeakPolarHBondContact O-CB 3.34Å; A66-L70 PolarHBondContact O-N 2.95Å; R67-L70 WeakPolarHBondContact O-CB 3.3Å; R67-L70 PolarHBondContact O-N 2.93Å; S68-L70 VanDerWaalsContact C-N 3.34Å; L70-L73 PolarHBondContact O-N 3.45Å; L70-G74 PolarHBondContact O-N 2.9Å |
| 71 | W | 76.6 | Confident | 73.2 | Confident | 165 Ų | 165 | 74.7 Ų | 74.7 | 63% | 0.625 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 174.1 | -89.1 | 99.8 | 0 | 0 | 0 | 112.2 | A59 R67 S68 G74 L75 | A59-W71 HydrophobicContact CB-CB 4.46Å; A59-W71 HydrophobicContact CB-CG 4.18Å; R67-W71 VanDerWaalsContact O-CD1 3.23Å; R67-W71 PolarHBondContact O-N 2.75Å; S68-W71 PolarHBondContact O-N 2.84Å; W71-G74 PolarHBondContact O-N 3.26Å; W71-L75 WeakPolarHBondContact O-CB 3.24Å; W71-L75 WeakPolarHBondContact O-CG 3.29Å; W71-L75 PolarHBondContact O-N 3.03Å |
| 72 | C | 75.2 | Confident | 73.7 | Confident | 29 Ų | 29 | 79.7 Ų | 79.7 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 173.8 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | S68 A69 G74 L75 N76 M201 | S68-C72 VanDerWaalsContact O-CB 3.26Å; S68-C72 WeakPolarHBondContact O-CB 3.45Å; S68-C72 PolarHBondContact O-N 3.43Å; A69-C72 WeakPolarHBondContact O-CB 3.3Å; A69-C72 PolarHBondContact O-N 2.91Å; C72-G74 VanDerWaalsContact C-N 3.29Å; C72-G74 PolarHBondContact O-N 2.89Å; C72-L75 PolarHBondContact O-N 2.95Å; C72-N76 WeakPolarHBondContact O-CB 3.3Å; C72-N76 PolarHBondContact O-N 3.36Å; C72-N76 PolarHBondContact O-ND2 3Å; C72-N76 PolarHBondContact SG-ND2 3.33Å; C72-N76 VanDerWaalsContact SG-ND2 3.4Å; C72-M201 HydrophobicContact CB-CE 3.48Å; C72-M201 VanDerWaalsContact CB-CE 3.48Å; C72-M201 HydrophobicContact CB-SD 3.96Å; C72-M201 VanDerWaalsContact SG-CE 3.54Å; C72-M201 PolarHBondContact SG-SD 2.74Å |
| 73 | L | 80.9 | Confident | 74.4 | Confident | 120 Ų | 120 | 77.9 Ų | 77.9 | 63% | 0.628 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.2 | -36.8 | 178.4 | -169.2 | 133.7 | 0 | 0 | 0 | 111.4 | A69 L70 A77 | A69-L73 WeakPolarHBondContact O-CB 3.42Å; A69-L73 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.45Å; L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 3.19Å |
| 74 | G | 81.3 | Confident | 75.1 | Confident | 36 Ų | 36 | 80.7 Ų | 80.7 | 37% | 0.371 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L70 W71 C72 A77 A78 | L70-G74 PolarHBondContact O-N 2.9Å; W71-G74 PolarHBondContact O-N 3.26Å; C72-G74 VanDerWaalsContact C-N 3.29Å; C72-G74 PolarHBondContact O-N 2.89Å; G74-A77 PolarHBondContact O-N 2.82Å; G74-A78 VanDerWaalsContact O-CB 3.28Å; G74-A78 WeakPolarHBondContact O-CB 3.36Å; G74-A78 PolarHBondContact O-N 2.99Å |
| 75 | L | 82.1 | Confident | 75.6 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 175.4 | -74.7 | 169.9 | 0 | 0 | 0 | 111.8 | W71 C72 A78 F79 M201 | W71-L75 WeakPolarHBondContact O-CB 3.24Å; W71-L75 WeakPolarHBondContact O-CG 3.29Å; W71-L75 PolarHBondContact O-N 3.03Å; C72-L75 PolarHBondContact O-N 2.95Å; L75-A78 PolarHBondContact O-N 3.41Å; L75-F79 WeakPolarHBondContact O-CB 3.19Å; L75-F79 PolarHBondContact O-N 3.16Å; L75-M201 HydrophobicContact CB-SD 4.43Å; L75-M201 HydrophobicContact CD1-CE 4.47Å; L75-M201 HydrophobicContact CD1-CG 4.49Å; L75-M201 HydrophobicContact CD1-SD 3.84Å |
| 76 | N | 82.5 | Confident | 75.3 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.15 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 173.8 | -78.8 | -81.6 | 0 | 0 | 0 | 110.9 | C72 A78 F79 W80 Y194 | C72-N76 WeakPolarHBondContact O-CB 3.3Å; C72-N76 PolarHBondContact O-N 3.36Å; C72-N76 PolarHBondContact O-ND2 3Å; C72-N76 PolarHBondContact SG-ND2 3.33Å; C72-N76 VanDerWaalsContact SG-ND2 3.4Å; N76-A78 VanDerWaalsContact C-N 3.34Å; N76-A78 PolarHBondContact O-N 3.3Å; N76-F79 PolarHBondContact O-N 2.75Å; N76-W80 WeakPolarHBondContact O-CB 3.44Å; N76-W80 PolarHBondContact O-N 2.81Å; N76-Y194 WeakPolarHBondContact OD1-CE2 3.48Å |
| 77 | A | 80.4 | Confident | 75.1 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 45% | 0.446 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L73 G74 W80 F81 | L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 3.19Å; G74-A77 PolarHBondContact O-N 2.82Å; A77-W80 PolarHBondContact O-N 3.28Å; A77-F81 WeakPolarHBondContact O-CB 3.3Å; A77-F81 PolarHBondContact O-N 3.36Å |
| 78 | A | 79.3 | Confident | 75.3 | Confident | 39 Ų | 39 | 80.8 Ų | 80.8 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | G74 L75 N76 F81 F82 | G74-A78 VanDerWaalsContact O-CB 3.28Å; G74-A78 WeakPolarHBondContact O-CB 3.36Å; G74-A78 PolarHBondContact O-N 2.99Å; L75-A78 PolarHBondContact O-N 3.41Å; N76-A78 VanDerWaalsContact C-N 3.34Å; N76-A78 PolarHBondContact O-N 3.3Å; A78-F81 WeakPolarHBondContact O-CB 3.45Å; A78-F81 PolarHBondContact O-N 3.05Å; A78-F82 HydrophobicContact CB-CE2 4.46Å; A78-F82 WeakPolarHBondContact O-CD2 3.33Å; A78-F82 PolarHBondContact O-N 3.29Å |
| 79 | F | 81.8 | Confident | 75 | Confident | 36 Ų | 36 | 87.7 Ų | 87.7 | 16% | 0.158 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 175.8 | 176.5 | -89.5 | 0 | 0 | 0 | 111.8 | L75 N76 F81 F82 A83 L190 S193 Y194 L197 | L75-F79 WeakPolarHBondContact O-CB 3.19Å; L75-F79 PolarHBondContact O-N 3.16Å; N76-F79 PolarHBondContact O-N 2.75Å; F79-F81 VanDerWaalsContact C-N 3.32Å; F79-F81 PolarHBondContact O-N 3.29Å; F79-F82 PolarHBondContact O-N 2.83Å; F79-A83 VanDerWaalsContact O-CB 3.26Å; F79-A83 WeakPolarHBondContact O-CB 3.13Å; F79-A83 PolarHBondContact O-N 3.49Å; F79-L190 HydrophobicContact CE1-CD2 4.48Å; F79-L190 HydrophobicContact CE1-CG 4.36Å; F79-L190 HydrophobicContact CZ-CG 4.2Å; F79-L190 WeakPolarHBondContact CZ-O 3.41Å; F79-S193 WeakPolarHBondContact CE2-OG 3.27Å; F79-S193 VanDerWaalsContact CZ-OG 3.24Å; F79-S193 WeakPolarHBondContact CZ-OG 3.31Å; F79-Y194 AromaticContact CD1-CD2 3.69Å; F79-Y194 HydrophobicContact CD1-CD2 3.69Å; F79-Y194 AromaticContact CE1-CD2 3.66Å; F79-Y194 HydrophobicContact CE1-CD2 3.66Å; F79-Y194 HydrophobicContact CE1-CG 4.07Å; F79-Y194 HydrophobicContact CZ-CD2 4.43Å; F79-L197 HydrophobicContact CB-CD2 3.64Å; F79-L197 HydrophobicContact CD2-CD2 3.88Å; F79-L197 HydrophobicContact CG-CD2 3.77Å |
| 80 | W | 82.5 | Confident | 74.9 | Confident | 109 Ų | 109 | 91.1 Ų | 91.1 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 176.1 | -77.8 | 108.4 | 0 | 0 | 0 | 112.1 | N76 A77 A83 L84 L190 Y194 | N76-W80 WeakPolarHBondContact O-CB 3.44Å; N76-W80 PolarHBondContact O-N 2.81Å; A77-W80 PolarHBondContact O-N 3.28Å; W80-A83 HydrophobicContact CE3-CB 4.36Å; W80-A83 WeakPolarHBondContact O-CB 3.42Å; W80-A83 PolarHBondContact O-N 3.42Å; W80-L84 HydrophobicContact CB-CD1 4.47Å; W80-L84 HydrophobicContact CE3-CG 4.47Å; W80-L84 WeakPolarHBondContact O-CB 2.97Å; W80-L84 WeakPolarHBondContact O-CD1 3.45Å; W80-L84 WeakPolarHBondContact O-CG 3.27Å; W80-L84 PolarHBondContact O-N 3.31Å; W80-L190 HydrophobicContact CH2-CD2 4.44Å; W80-L190 HydrophobicContact CZ3-CD2 4Å; W80-Y194 AromaticContact NE1-CE2 3.71Å |
| 81 | F | 78.3 | Confident | 74.6 | Confident | 115 Ų | 115 | 90.9 Ų | 90.9 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 172.3 | 178 | -96.8 | 0 | 0 | 0 | 110.3 | A77 A78 F79 A83 L84 T85 | A77-F81 WeakPolarHBondContact O-CB 3.3Å; A77-F81 PolarHBondContact O-N 3.36Å; A78-F81 WeakPolarHBondContact O-CB 3.45Å; A78-F81 PolarHBondContact O-N 3.05Å; F79-F81 VanDerWaalsContact C-N 3.32Å; F79-F81 PolarHBondContact O-N 3.29Å; F81-A83 VanDerWaalsContact C-N 3.33Å; F81-A83 PolarHBondContact O-N 3.01Å; F81-L84 PolarHBondContact O-N 2.84Å; F81-T85 HydrophobicContact CD2-CG2 4.36Å; F81-T85 HydrophobicContact CE1-CG2 4.15Å; F81-T85 HydrophobicContact CE2-CG2 3.96Å; F81-T85 HydrophobicContact CZ-CG2 3.84Å; F81-T85 WeakPolarHBondContact O-CB 3.42Å; F81-T85 PolarHBondContact O-N 2.55Å; F81-T85 PolarHBondContact O-OG1 2.8Å |
| 82 | F | 73.6 | Confident | 74.3 | Confident | 118 Ų | 118 | 84.1 Ų | 84.1 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65 | -33.6 | 175.5 | -74.1 | -61.8 | 0 | 0 | 0 | 113.4 | A78 F79 T85 L92 | A78-F82 HydrophobicContact CB-CE2 4.46Å; A78-F82 WeakPolarHBondContact O-CD2 3.33Å; A78-F82 PolarHBondContact O-N 3.29Å; F79-F82 PolarHBondContact O-N 2.83Å; F82-T85 WeakPolarHBondContact CA-OG1 3.44Å; F82-L92 HydrophobicContact CD1-CD1 3.63Å; F82-L92 HydrophobicContact CD1-CD2 4.5Å; F82-L92 HydrophobicContact CE1-CB 4.48Å; F82-L92 HydrophobicContact CE1-CD1 3.79Å; F82-L92 HydrophobicContact CE1-CD2 4.04Å; F82-L92 HydrophobicContact CE1-CG 4.32Å |
| 83 | A | 75.2 | Confident | 74.1 | Confident | 33 Ų | 33 | 88.4 Ų | 88.4 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F79 W80 F81 L190 | F79-A83 VanDerWaalsContact O-CB 3.26Å; F79-A83 WeakPolarHBondContact O-CB 3.13Å; F79-A83 PolarHBondContact O-N 3.49Å; W80-A83 HydrophobicContact CE3-CB 4.36Å; W80-A83 WeakPolarHBondContact O-CB 3.42Å; W80-A83 PolarHBondContact O-N 3.42Å; F81-A83 VanDerWaalsContact C-N 3.33Å; F81-A83 PolarHBondContact O-N 3.01Å; A83-L190 HydrophobicContact CB-CD1 3.33Å; A83-L190 HydrophobicContact CB-CD2 3.75Å; A83-L190 HydrophobicContact CB-CG 3.94Å |
| 84 | L | 74.5 | Confident | 73.8 | Confident | 133 Ų | 133 | 85.3 Ų | 85.3 | 70% | 0.696 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -90.7 | -20.7 | -175.8 | -65.1 | 169.6 | 0 | 0 | 0 | 112.3 | W80 F81 S86 | W80-L84 HydrophobicContact CB-CD1 4.47Å; W80-L84 HydrophobicContact CE3-CG 4.47Å; W80-L84 WeakPolarHBondContact O-CB 2.97Å; W80-L84 WeakPolarHBondContact O-CD1 3.45Å; W80-L84 WeakPolarHBondContact O-CG 3.27Å; W80-L84 PolarHBondContact O-N 3.31Å; F81-L84 PolarHBondContact O-N 2.84Å; L84-S86 PolarHBondContact O-N 3.46Å |
| 85 | T | 70.4 | Confident | 73.5 | Confident | 32 Ų | 32 | 88.9 Ų | 88.9 | 20% | 0.196 | 47% | 0.465 | C | S | . | . | trans | -80.3 | 107.8 | 172 | 37.5 | 0 | 0 | 0 | 0 | 110.1 | F81 F82 L87 | F81-T85 HydrophobicContact CD2-CG2 4.36Å; F81-T85 HydrophobicContact CE1-CG2 4.15Å; F81-T85 HydrophobicContact CE2-CG2 3.96Å; F81-T85 HydrophobicContact CZ-CG2 3.84Å; F81-T85 WeakPolarHBondContact O-CB 3.42Å; F81-T85 PolarHBondContact O-N 2.55Å; F81-T85 PolarHBondContact O-OG1 2.8Å; F82-T85 WeakPolarHBondContact CA-OG1 3.44Å; T85-L87 HydrophobicContact CG2-CD1 3.69Å; T85-L87 HydrophobicContact CG2-CG 4.14Å; T85-L87 PolarHBondContact O-N 2.79Å | ||
| 86 | S | 58.3 | Low | 73.1 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 87% | 0.874 | 46% | 0.464 | S | S | * | . | trans | -70.9 | 20.3 | 164.3 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | L84 R88 | L84-S86 PolarHBondContact O-N 3.46Å; S86-R88 PolarHBondContact O-N 3.31Å | ||
| 87 | L | 60.1 | Low | 72.5 | Confident | 73 Ų | 73 | 89.3 Ų | 89.3 | 38% | 0.382 | 48% | 0.476 | S | S | . | . | trans | -71.3 | 122.2 | 176.8 | -67.4 | 169.7 | 0 | 0 | 0 | 107.5 | T85 L89 F91 L92 | T85-L87 HydrophobicContact CG2-CD1 3.69Å; T85-L87 HydrophobicContact CG2-CG 4.14Å; T85-L87 PolarHBondContact O-N 2.79Å; L87-L89 PolarHBondContact O-N 2.85Å; L87-F91 HydrophobicContact CB-CD1 4.17Å; L87-F91 HydrophobicContact CD1-CD1 4.18Å; L87-F91 HydrophobicContact CD1-CE1 4.15Å; L87-F91 HydrophobicContact CD2-CD1 4.08Å; L87-F91 HydrophobicContact CD2-CE1 4.21Å; L87-F91 HydrophobicContact CG-CD1 4.38Å; L87-L92 HydrophobicContact CB-CD1 4.36Å; L87-L92 HydrophobicContact CB-CG 4.2Å; L87-L92 HydrophobicContact CD1-CD2 4.26Å | ||
| 88 | R | 69.9 | Low | 72.6 | Confident | 216 Ų | 216 | 91.8 Ų | 91.8 | 82% | 0.815 | 48% | 0.48 | S | S | * | . | trans | -44.7 | 128.3 | 177 | -74.3 | 177.8 | 173 | 170.8 | -2.3 | 109.1 | S86 V90 F91 L92 | S86-R88 PolarHBondContact O-N 3.31Å; R88-V90 PolarHBondContact O-N 3.27Å; R88-F91 WeakPolarHBondContact O-CA 3.25Å; R88-F91 WeakPolarHBondContact O-CB 3.49Å; R88-F91 PolarHBondContact O-N 2.85Å; R88-L92 PolarHBondContact O-N 3.35Å | ||
| 89 | L | 63.1 | Low | 72.5 | Confident | 147 Ų | 147 | 93.3 Ų | 93.3 | 77% | 0.77 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -47 | -32.8 | -179.6 | -72.4 | 169.4 | 0 | 0 | 0 | 112.8 | L87 L92 L93 | L87-L89 PolarHBondContact O-N 2.85Å; L89-L92 PolarHBondContact O-N 3.39Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 2.85Å |
| 90 | V | 69.4 | Low | 72.1 | Confident | 112 Ų | 112 | 96.9 Ų | 96.9 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 175 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | R88 L93 A94 | R88-V90 PolarHBondContact O-N 3.27Å; V90-L93 PolarHBondContact O-N 3.22Å; V90-A94 VanDerWaalsContact O-CB 3.32Å; V90-A94 WeakPolarHBondContact O-CB 3.45Å; V90-A94 PolarHBondContact O-N 3.07Å |
| 91 | F | 71.4 | Confident | 71.8 | Confident | 116 Ų | 116 | 95.7 Ų | 95.7 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.6 | 178 | -99.1 | 0 | 0 | 0 | 111.4 | L87 R88 A94 F95 | L87-F91 HydrophobicContact CB-CD1 4.17Å; L87-F91 HydrophobicContact CD1-CD1 4.18Å; L87-F91 HydrophobicContact CD1-CE1 4.15Å; L87-F91 HydrophobicContact CD2-CD1 4.08Å; L87-F91 HydrophobicContact CD2-CE1 4.21Å; L87-F91 HydrophobicContact CG-CD1 4.38Å; R88-F91 WeakPolarHBondContact O-CA 3.25Å; R88-F91 WeakPolarHBondContact O-CB 3.49Å; R88-F91 PolarHBondContact O-N 2.85Å; F91-A94 PolarHBondContact O-N 3.25Å; F91-F95 VanDerWaalsContact O-CB 3.24Å; F91-F95 WeakPolarHBondContact O-CB 3.34Å; F91-F95 PolarHBondContact O-N 3.49Å |
| 92 | L | 70 | Confident | 71.5 | Confident | 23 Ų | 23 | 93 Ų | 93 | 12% | 0.12 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.7 | -70.2 | 168.5 | 0 | 0 | 0 | 112.1 | F82 L87 R88 L89 F95 S96 | F82-L92 HydrophobicContact CD1-CD1 3.63Å; F82-L92 HydrophobicContact CD1-CD2 4.5Å; F82-L92 HydrophobicContact CE1-CB 4.48Å; F82-L92 HydrophobicContact CE1-CD1 3.79Å; F82-L92 HydrophobicContact CE1-CD2 4.04Å; F82-L92 HydrophobicContact CE1-CG 4.32Å; L87-L92 HydrophobicContact CB-CD1 4.36Å; L87-L92 HydrophobicContact CB-CG 4.2Å; L87-L92 HydrophobicContact CD1-CD2 4.26Å; R88-L92 PolarHBondContact O-N 3.35Å; L89-L92 PolarHBondContact O-N 3.39Å; L92-F95 PolarHBondContact O-N 2.91Å; L92-S96 VanDerWaalsContact O-CB 3.3Å; L92-S96 WeakPolarHBondContact O-CB 3.42Å; L92-S96 PolarHBondContact O-N 3.48Å; L92-S96 PolarHBondContact O-OG 3.13Å |
| 93 | L | 71.3 | Confident | 71.4 | Confident | 119 Ų | 119 | 92.4 Ų | 92.4 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 174.2 | -165.9 | 99.7 | 0 | 0 | 0 | 111.1 | L89 V90 S96 S97 | L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 2.85Å; V90-L93 PolarHBondContact O-N 3.22Å; L93-S96 WeakPolarHBondContact CA-OG 3.45Å; L93-S96 PolarHBondContact O-OG 3.01Å; L93-S97 VanDerWaalsContact O-CB 3.3Å; L93-S97 WeakPolarHBondContact O-CB 3.23Å; L93-S97 PolarHBondContact O-N 2.99Å; L93-S97 PolarHBondContact O-OG 3.21Å |
| 94 | A | 75.6 | Confident | 71.1 | Confident | 56 Ų | 56 | 94.5 Ų | 94.5 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V90 F91 S97 M98 | V90-A94 VanDerWaalsContact O-CB 3.32Å; V90-A94 WeakPolarHBondContact O-CB 3.45Å; V90-A94 PolarHBondContact O-N 3.07Å; F91-A94 PolarHBondContact O-N 3.25Å; A94-S97 PolarHBondContact O-N 2.9Å; A94-M98 WeakPolarHBondContact O-CB 3.29Å; A94-M98 PolarHBondContact O-N 2.78Å |
| 95 | F | 74.5 | Confident | 71 | Confident | 110 Ų | 110 | 92.6 Ų | 92.6 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 178.3 | -176.3 | -107 | 0 | 0 | 0 | 112.6 | F91 L92 M98 I99 | F91-F95 VanDerWaalsContact O-CB 3.24Å; F91-F95 WeakPolarHBondContact O-CB 3.34Å; F91-F95 PolarHBondContact O-N 3.49Å; L92-F95 PolarHBondContact O-N 2.91Å; F95-M98 WeakPolarHBondContact O-CB 3.19Å; F95-M98 PolarHBondContact O-N 3.47Å; F95-I99 HydrophobicContact CD1-CD1 3.7Å; F95-I99 HydrophobicContact CE1-CD1 3.27Å; F95-I99 HydrophobicContact CE1-CG1 4.27Å; F95-I99 HydrophobicContact CE2-CD1 4.47Å; F95-I99 HydrophobicContact CG-CD1 4.48Å; F95-I99 HydrophobicContact CZ-CD1 3.71Å; F95-I99 HydrophobicContact CZ-CG1 4.34Å; F95-I99 WeakPolarHBondContact O-CG1 3.37Å; F95-I99 PolarHBondContact O-N 3.4Å |
| 96 | S | 72.9 | Confident | 70.9 | Confident | 51 Ų | 51 | 97.8 Ų | 97.8 | 36% | 0.357 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -42 | 174.1 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | L92 L93 M98 I99 I100 | L92-S96 VanDerWaalsContact O-CB 3.3Å; L92-S96 WeakPolarHBondContact O-CB 3.42Å; L92-S96 PolarHBondContact O-N 3.48Å; L92-S96 PolarHBondContact O-OG 3.13Å; L93-S96 WeakPolarHBondContact CA-OG 3.45Å; L93-S96 PolarHBondContact O-OG 3.01Å; S96-M98 VanDerWaalsContact C-N 3.3Å; S96-M98 PolarHBondContact O-N 3.41Å; S96-I99 PolarHBondContact O-N 3.14Å; S96-I100 VanDerWaalsContact O-CG1 3.24Å; S96-I100 WeakPolarHBondContact O-CG1 3.25Å; S96-I100 PolarHBondContact O-N 2.91Å |
| 97 | S | 70.7 | Confident | 71.4 | Confident | 58 Ų | 58 | 98.6 Ų | 98.6 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 173.2 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | L93 A94 I100 V101 | L93-S97 VanDerWaalsContact O-CB 3.3Å; L93-S97 WeakPolarHBondContact O-CB 3.23Å; L93-S97 PolarHBondContact O-N 2.99Å; L93-S97 PolarHBondContact O-OG 3.21Å; A94-S97 PolarHBondContact O-N 2.9Å; S97-I100 PolarHBondContact O-N 2.95Å; S97-V101 WeakPolarHBondContact O-CG2 3.32Å; S97-V101 PolarHBondContact O-N 3.46Å |
| 98 | M | 82.1 | Confident | 71.8 | Confident | 107 Ų | 107 | 99.5 Ų | 99.5 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.7 | -176 | -91.6 | -177.8 | 0 | 0 | 111.7 | A94 F95 S96 I100 V101 C102 | A94-M98 WeakPolarHBondContact O-CB 3.29Å; A94-M98 PolarHBondContact O-N 2.78Å; F95-M98 WeakPolarHBondContact O-CB 3.19Å; F95-M98 PolarHBondContact O-N 3.47Å; S96-M98 VanDerWaalsContact C-N 3.3Å; S96-M98 PolarHBondContact O-N 3.41Å; M98-I100 PolarHBondContact O-N 2.99Å; M98-V101 PolarHBondContact O-N 2.9Å; M98-C102 VanDerWaalsContact CE-SG 3.58Å; M98-C102 WeakPolarHBondContact O-CB 3.41Å; M98-C102 PolarHBondContact O-N 3.36Å; M98-C102 PolarHBondContact O-SG 2.79Å |
| 99 | I | 76.9 | Confident | 71.3 | Confident | 70 Ų | 70 | 95.6 Ų | 95.6 | 36% | 0.359 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.4 | -70.6 | 168.8 | 0 | 0 | 0 | 111.3 | F95 S96 V101 C102 I103 | F95-I99 HydrophobicContact CD1-CD1 3.7Å; F95-I99 HydrophobicContact CE1-CD1 3.27Å; F95-I99 HydrophobicContact CE1-CG1 4.27Å; F95-I99 HydrophobicContact CE2-CD1 4.47Å; F95-I99 HydrophobicContact CG-CD1 4.48Å; F95-I99 HydrophobicContact CZ-CD1 3.71Å; F95-I99 HydrophobicContact CZ-CG1 4.34Å; F95-I99 WeakPolarHBondContact O-CG1 3.37Å; F95-I99 PolarHBondContact O-N 3.4Å; S96-I99 PolarHBondContact O-N 3.14Å; I99-V101 VanDerWaalsContact C-N 3.34Å; I99-V101 PolarHBondContact O-N 3.23Å; I99-C102 WeakPolarHBondContact O-CB 3.47Å; I99-C102 PolarHBondContact O-N 2.82Å; I99-I103 HydrophobicContact CG2-CD1 3.63Å; I99-I103 HydrophobicContact CG2-CG1 4.21Å; I99-I103 VanDerWaalsContact O-CG1 3.29Å; I99-I103 WeakPolarHBondContact O-CG1 3.14Å; I99-I103 PolarHBondContact O-N 3.48Å |
| 100 | I | 74.2 | Confident | 71.4 | Confident | 111 Ų | 111 | 91.5 Ų | 91.5 | 57% | 0.569 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.7 | -46.5 | 178.4 | -69.6 | 162.8 | 0 | 0 | 0 | 110.2 | S96 S97 M98 C102 I103 D104 | S96-I100 VanDerWaalsContact O-CG1 3.24Å; S96-I100 WeakPolarHBondContact O-CG1 3.25Å; S96-I100 PolarHBondContact O-N 2.91Å; S97-I100 PolarHBondContact O-N 2.95Å; M98-I100 PolarHBondContact O-N 2.99Å; I100-C102 VanDerWaalsContact C-N 3.35Å; I100-C102 PolarHBondContact O-N 2.76Å; I100-I103 PolarHBondContact O-N 3.03Å; I100-D104 WeakPolarHBondContact O-CB 3.28Å; I100-D104 PolarHBondContact O-N 2.81Å |
| 101 | V | 76.4 | Confident | 70.9 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | S97 M98 I99 I103 D104 Q105 | S97-V101 WeakPolarHBondContact O-CG2 3.32Å; S97-V101 PolarHBondContact O-N 3.46Å; M98-V101 PolarHBondContact O-N 2.9Å; I99-V101 VanDerWaalsContact C-N 3.34Å; I99-V101 PolarHBondContact O-N 3.23Å; V101-I103 PolarHBondContact O-N 3.5Å; V101-D104 PolarHBondContact O-N 2.91Å; V101-Q105 HydrophobicContact CG1-CG 4.12Å; V101-Q105 WeakPolarHBondContact O-CB 3.3Å; V101-Q105 WeakPolarHBondContact O-CG 3.45Å; V101-Q105 PolarHBondContact O-N 3.26Å |
| 102 | C | 71.7 | Confident | 70.2 | Confident | 60 Ų | 60 | 91.4 Ų | 91.4 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 175.9 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | M98 I99 I100 W106 | M98-C102 VanDerWaalsContact CE-SG 3.58Å; M98-C102 WeakPolarHBondContact O-CB 3.41Å; M98-C102 PolarHBondContact O-N 3.36Å; M98-C102 PolarHBondContact O-SG 2.79Å; I99-C102 WeakPolarHBondContact O-CB 3.47Å; I99-C102 PolarHBondContact O-N 2.82Å; I100-C102 VanDerWaalsContact C-N 3.35Å; I100-C102 PolarHBondContact O-N 2.76Å; C102-W106 WeakPolarHBondContact O-CB 3.35Å; C102-W106 PolarHBondContact O-N 3.25Å |
| 103 | I | 71.4 | Confident | 69.9 | Low | 104 Ų | 104 | 98.1 Ų | 98.1 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 176.4 | -68.4 | 168.6 | 0 | 0 | 0 | 110.4 | I99 I100 V101 W106 K107 | I99-I103 HydrophobicContact CG2-CD1 3.63Å; I99-I103 HydrophobicContact CG2-CG1 4.21Å; I99-I103 VanDerWaalsContact O-CG1 3.29Å; I99-I103 WeakPolarHBondContact O-CG1 3.14Å; I99-I103 PolarHBondContact O-N 3.48Å; I100-I103 PolarHBondContact O-N 3.03Å; V101-I103 PolarHBondContact O-N 3.5Å; I103-W106 PolarHBondContact O-N 2.91Å; I103-K107 VanDerWaalsContact O-CB 3.22Å; I103-K107 WeakPolarHBondContact O-CB 3.42Å; I103-K107 PolarHBondContact O-N 3.34Å |
| 104 | D | 68.1 | Low | 69.1 | Low | 77 Ų | 77 | 98.6 Ų | 98.6 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 177.2 | -172.7 | 66.1 | 0 | 0 | 0 | 111.1 | I100 V101 W106 K107 N108 | I100-D104 WeakPolarHBondContact O-CB 3.28Å; I100-D104 PolarHBondContact O-N 2.81Å; V101-D104 PolarHBondContact O-N 2.91Å; D104-W106 VanDerWaalsContact C-N 3.35Å; D104-W106 PolarHBondContact O-N 2.84Å; D104-K107 PolarHBondContact O-N 2.88Å; D104-N108 WeakPolarHBondContact O-CB 3.49Å; D104-N108 PolarHBondContact O-N 3.25Å; D104-N108 PolarHBondContact O-ND2 3.47Å; D104-N108 PolarHBondContact OD1-ND2 3.46Å; D104-N108 PolarHBondContact OD2-ND2 2.81Å; D104-N108 VanDerWaalsContact OD2-ND2 3.13Å |
| 105 | Q | 72.3 | Confident | 67.7 | Low | 93 Ų | 93 | 101.9 Ų | 101.9 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 173.9 | -67.7 | -62.6 | -38.8 | 0 | 0 | 111.6 | V101 K109 I110 | V101-Q105 HydrophobicContact CG1-CG 4.12Å; V101-Q105 WeakPolarHBondContact O-CB 3.3Å; V101-Q105 WeakPolarHBondContact O-CG 3.45Å; V101-Q105 PolarHBondContact O-N 3.26Å; Q105-K109 WeakPolarHBondContact O-CA 3.5Å; Q105-K109 WeakPolarHBondContact O-CB 3.24Å; Q105-K109 PolarHBondContact O-N 2.76Å; Q105-I110 PolarHBondContact O-N 2.77Å |
| 106 | W | 69.6 | Low | 66.2 | Low | 142 Ų | 142 | 102.2 Ų | 102.2 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | I | π-helix | trans | -64.2 | -44.9 | 177 | -170.6 | -78.5 | 0 | 0 | 0 | 111.5 | C102 I103 D104 I110 W111 | C102-W106 WeakPolarHBondContact O-CB 3.35Å; C102-W106 PolarHBondContact O-N 3.25Å; I103-W106 PolarHBondContact O-N 2.91Å; D104-W106 VanDerWaalsContact C-N 3.35Å; D104-W106 PolarHBondContact O-N 2.84Å; W106-I110 HydrophobicContact CB-CD1 4.44Å; W106-I110 HydrophobicContact CD2-CB 4.22Å; W106-I110 HydrophobicContact CD2-CD1 3.84Å; W106-I110 HydrophobicContact CD2-CG2 4.19Å; W106-I110 HydrophobicContact CE3-CD1 3.36Å; W106-I110 HydrophobicContact CE3-CG2 4.46Å; W106-I110 HydrophobicContact CG-CB 4.33Å; W106-I110 HydrophobicContact CG-CD1 4.34Å; W106-I110 HydrophobicContact CH2-CG2 4.4Å; W106-I110 HydrophobicContact CZ2-CG2 4.14Å; W106-I110 HydrophobicContact CZ3-CD1 3.82Å; W106-I110 CarbonylContact O-C 3.57Å; W106-I110 WeakPolarHBondContact O-CA 3.12Å; W106-I110 WeakPolarHBondContact O-CB 3.18Å; W106-I110 PolarHBondContact O-N 3.41Å; W106-I110 VanDerWaalsContact O-N 3.07Å; W106-W111 AromaticContact NE1-CE3 3.93Å; W106-W111 PolarHBondContact O-N 3.26Å |
| 107 | K | 68.6 | Low | 64.8 | Low | 142 Ų | 142 | 105.8 Ų | 105.8 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | I | π-helix | trans | -71.3 | -39 | -179.4 | -175.4 | -178.4 | 168.5 | -174.8 | 0 | 112.2 | I103 D104 W111 P112 | I103-K107 VanDerWaalsContact O-CB 3.22Å; I103-K107 WeakPolarHBondContact O-CB 3.42Å; I103-K107 PolarHBondContact O-N 3.34Å; D104-K107 PolarHBondContact O-N 2.88Å; K107-W111 WeakPolarHBondContact O-CB 3.48Å; K107-P112 VanDerWaalsContact O-CD 3.28Å; K107-P112 WeakPolarHBondContact O-CD 3.26Å |
| 108 | N | 67.7 | Low | 63.2 | Low | 92 Ų | 92 | 113.4 Ų | 113.4 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | I | π-helix | trans | -90.3 | -22.4 | -173.7 | -61.7 | -22.6 | 0 | 0 | 0 | 112.9 | D104 P112 | D104-N108 WeakPolarHBondContact O-CB 3.49Å; D104-N108 PolarHBondContact O-N 3.25Å; D104-N108 PolarHBondContact O-ND2 3.47Å; D104-N108 PolarHBondContact OD1-ND2 3.46Å; D104-N108 PolarHBondContact OD2-ND2 2.81Å; D104-N108 VanDerWaalsContact OD2-ND2 3.13Å; N108-P112 VanDerWaalsContact O-CG 3.31Å; N108-P112 WeakPolarHBondContact O-CG 3.13Å |
| 109 | K | 59.4 | Low | 61.4 | Low | 134 Ų | 134 | 114 Ų | 114 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | I | π-helix | trans | -116.8 | -45.8 | -174.4 | -156.5 | 175.9 | 179.2 | 178.5 | 0 | 113.1 | Q105 | Q105-K109 WeakPolarHBondContact O-CA 3.5Å; Q105-K109 WeakPolarHBondContact O-CB 3.24Å; Q105-K109 PolarHBondContact O-N 2.76Å |
| 110 | I | 65.3 | Low | 59.5 | Low | 60 Ų | 60 | 116.2 Ų | 116.2 | 31% | 0.308 | 58% | 0.58 | S | S | . | * | I | π-helix | trans | -88.9 | -41.6 | -172.1 | -58.8 | 172.7 | 0 | 0 | 0 | 111.6 | Q105 W106 E113 I114 | Q105-I110 PolarHBondContact O-N 2.77Å; W106-I110 HydrophobicContact CB-CD1 4.44Å; W106-I110 HydrophobicContact CD2-CB 4.22Å; W106-I110 HydrophobicContact CD2-CD1 3.84Å; W106-I110 HydrophobicContact CD2-CG2 4.19Å; W106-I110 HydrophobicContact CE3-CD1 3.36Å; W106-I110 HydrophobicContact CE3-CG2 4.46Å; W106-I110 HydrophobicContact CG-CB 4.33Å; W106-I110 HydrophobicContact CG-CD1 4.34Å; W106-I110 HydrophobicContact CH2-CG2 4.4Å; W106-I110 HydrophobicContact CZ2-CG2 4.14Å; W106-I110 HydrophobicContact CZ3-CD1 3.82Å; W106-I110 CarbonylContact O-C 3.57Å; W106-I110 WeakPolarHBondContact O-CA 3.12Å; W106-I110 WeakPolarHBondContact O-CB 3.18Å; W106-I110 PolarHBondContact O-N 3.41Å; W106-I110 VanDerWaalsContact O-N 3.07Å; I110-E113 PolarHBondContact O-N 3.23Å; I110-I114 HydrophobicContact CG2-CD1 3.58Å; I110-I114 HydrophobicContact CG2-CG1 4.47Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 2.86Å |
| 111 | W | 58.5 | Low | 57.6 | Low | 149 Ų | 149 | 114 Ų | 114 | 56% | 0.564 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63 | -43.5 | 179.7 | -160.8 | -93.1 | 0 | 0 | 0 | 114.3 | W106 K107 E113 K115 | W106-W111 AromaticContact NE1-CE3 3.93Å; W106-W111 PolarHBondContact O-N 3.26Å; K107-W111 WeakPolarHBondContact O-CB 3.48Å; W111-E113 VanDerWaalsContact C-N 3.3Å; W111-E113 PolarHBondContact O-N 2.78Å; W111-K115 WeakPolarHBondContact O-CB 3.43Å; W111-K115 PolarHBondContact O-N 3.43Å |
| 112 | P | 57.7 | Low | 55.9 | Low | 77 Ų | 77 | 117.4 Ų | 117.4 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.8 | -24.7 | 176.5 | 24.7 | -32.5 | 0 | 0 | 0 | 113.2 | K107 N108 | K107-P112 VanDerWaalsContact O-CD 3.28Å; K107-P112 WeakPolarHBondContact O-CD 3.26Å; N108-P112 VanDerWaalsContact O-CG 3.31Å; N108-P112 WeakPolarHBondContact O-CG 3.13Å |
| 113 | E | 62.6 | Low | 54 | Low | 165 Ų | 165 | 120.9 Ų | 120.9 | 77% | 0.771 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.2 | -26.5 | -178.4 | -164.8 | 155 | -170.1 | 0 | 0 | 112.7 | I110 W111 | I110-E113 PolarHBondContact O-N 3.23Å; W111-E113 VanDerWaalsContact C-N 3.3Å; W111-E113 PolarHBondContact O-N 2.78Å |
| 114 | I | 54.2 | Low | 52.2 | Low | 129 Ų | 129 | 122.4 Ų | 122.4 | 66% | 0.662 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -92.4 | -21.2 | 177.1 | -62.6 | 171.2 | 0 | 0 | 0 | 112 | I110 V116 | I110-I114 HydrophobicContact CG2-CD1 3.58Å; I110-I114 HydrophobicContact CG2-CG1 4.47Å; I110-I114 WeakPolarHBondContact O-CG1 3.33Å; I110-I114 PolarHBondContact O-N 2.86Å; I114-V116 PolarHBondContact O-N 2.87Å |
| 115 | K | 45.9 | Very low | 50.9 | Low | 124 Ų | 124 | 126.7 Ų | 126.7 | 54% | 0.539 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -88.2 | 93.6 | -177.3 | -154.7 | 161.8 | -174.7 | -177.7 | 0 | 109.9 | W111 | W111-K115 WeakPolarHBondContact O-CB 3.43Å; W111-K115 PolarHBondContact O-N 3.43Å |
| 116 | V | 44.7 | Very low | 49.3 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | trans | -43.6 | 131.7 | 166.4 | 178.5 | 0 | 0 | 0 | 0 | 109 | I114 R118 | I114-V116 PolarHBondContact O-N 2.87Å; V116-R118 PolarHBondContact O-N 3.08Å | ||
| 117 | P | 42.2 | Very low | 48.1 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | trans | -55 | 99 | 176.7 | -25.4 | 33.7 | 0 | 0 | 0 | 110.8 | ||||
| 118 | R | 38.4 | Very low | 46.6 | Very low | 219 Ų | 219 | 127 Ų | 127 | 83% | 0.826 | 66% | 0.661 | S | S | * | * | trans | -103 | 115.8 | 161.6 | -91.7 | -169.1 | 178.1 | 169.2 | 0.4 | 107.1 | V116 D120 | V116-R118 PolarHBondContact O-N 3.08Å; R118-D120 PolarHBondContact O-N 3.39Å | ||
| 119 | P | 43.8 | Very low | 45.1 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -78.2 | 28.4 | -174.5 | 31.4 | -33.5 | 0 | 0 | 0 | 114.7 | ||
| 120 | D | 35.7 | Very low | 44 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | trans | -136.4 | 36.2 | -170 | -49.9 | -46.5 | 0 | 0 | 0 | 114.7 | R118 N124 | R118-D120 PolarHBondContact O-N 3.39Å; D120-N124 PolarHBondContact O-ND2 3.29Å | ||
| 121 | A | 35.9 | Very low | 42.5 | Very low | 64 Ų | 64 | 130.8 Ų | 130.8 | 53% | 0.529 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -115.7 | -0.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 122 | L | 40.4 | Very low | 41.8 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -90.4 | -12.5 | 174.4 | -90.6 | 158.6 | 0 | 0 | 0 | 113.5 | ||
| 123 | D | 32 | Very low | 40.9 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -103 | 0.7 | -177 | -69 | -18 | 0 | 0 | 0 | 114.3 | ||
| 124 | N | 33.8 | Very low | 39.8 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 5.2 | -179.2 | -72.4 | -30.1 | 0 | 0 | 0 | 114.6 | D120 | D120-N124 PolarHBondContact O-ND2 3.29Š|
| 125 | E | 40.2 | Very low | 39.5 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -0.1 | 175.7 | -69.6 | -176.7 | 125.1 | 0 | 0 | 113.3 | ||
| 126 | S | 39.5 | Very low | 39.8 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 57% | 0.573 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -100.2 | -13 | -171.7 | 176.7 | 0 | 0 | 0 | 0 | 116 | ||
| 127 | W | 42.9 | Very low | 40 | Very low | 237 Ų | 237 | 120.6 Ų | 120.6 | 90% | 0.898 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -141.9 | 110.7 | -174.1 | -70.3 | 92.7 | 0 | 0 | 0 | 113 | ||
| 128 | G | 38 | Very low | 40.4 | Very low | 65 Ų | 65 | 118.3 Ų | 118.3 | 67% | 0.67 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 108.1 | 53 | 148.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 129 | F | 35.9 | Very low | 41.1 | Very low | 150 Ų | 150 | 112.6 Ų | 112.6 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | trans | -139.8 | 53.1 | 147.4 | -119.2 | -96.9 | 0 | 0 | 0 | 110.7 | H131 | F129-H131 AromaticContact CD1-CE1 3.32Å; F129-H131 WeakPolarHBondContact CD1-CE1 3.33Å; F129-H131 AromaticContact CD1-CG 3.83Å; F129-H131 AromaticContact CD1-ND1 3.07Å; F129-H131 WeakPolarHBondContact CD1-ND1 3.18Å; F129-H131 AromaticContact CE1-CD2 3.99Å; F129-H131 AromaticContact CE1-CE1 2.86Å; F129-H131 WeakPolarHBondContact CE1-CE1 3.28Å; F129-H131 AromaticContact CE1-CG 3.88Å; F129-H131 AromaticContact CE1-ND1 3.17Å; F129-H131 WeakPolarHBondContact CE1-ND1 3.32Å; F129-H131 AromaticContact CE1-NE2 3.4Å; F129-H131 WeakPolarHBondContact CE1-NE2 3.2Å; F129-H131 AromaticContact CG-ND1 3.89Å; F129-H131 AromaticContact CZ-CE1 3.34Å; F129-H131 WeakPolarHBondContact CZ-CE1 3.38Å; F129-H131 AromaticContact CZ-NE2 3.95Å; F129-H131 PolarHBondContact O-N 3.32Å | ||
| 130 | V | 36.5 | Very low | 41.7 | Very low | 136 Ų | 136 | 109.5 Ų | 109.5 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | trans | -73 | 81.1 | 160.8 | -172.6 | 0 | 0 | 0 | 0 | 106.9 | P132 | V130-P132 WeakPolarHBondContact O-CD 3.49Š| ||
| 131 | H | 33.3 | Very low | 42.6 | Very low | 79 Ų | 79 | 104.6 Ų | 104.6 | 37% | 0.366 | 56% | 0.561 | S | S | . | * | trans | -80.1 | 118.8 | 164.5 | -89.5 | 47.6 | 0 | 0 | 0 | 107.6 | E63 F129 R133 L134 | E63-H131 IonicContact OE1-CD2 3.28Å; E63-H131 IonicContact OE1-CG 2.69Å; F129-H131 AromaticContact CD1-CE1 3.32Å; F129-H131 WeakPolarHBondContact CD1-CE1 3.33Å; F129-H131 AromaticContact CD1-CG 3.83Å; F129-H131 AromaticContact CD1-ND1 3.07Å; F129-H131 WeakPolarHBondContact CD1-ND1 3.18Å; F129-H131 AromaticContact CE1-CD2 3.99Å; F129-H131 AromaticContact CE1-CE1 2.86Å; F129-H131 WeakPolarHBondContact CE1-CE1 3.28Å; F129-H131 AromaticContact CE1-CG 3.88Å; F129-H131 AromaticContact CE1-ND1 3.17Å; F129-H131 WeakPolarHBondContact CE1-ND1 3.32Å; F129-H131 AromaticContact CE1-NE2 3.4Å; F129-H131 WeakPolarHBondContact CE1-NE2 3.2Å; F129-H131 AromaticContact CG-ND1 3.89Å; F129-H131 AromaticContact CZ-CE1 3.34Å; F129-H131 WeakPolarHBondContact CZ-CE1 3.38Å; F129-H131 AromaticContact CZ-NE2 3.95Å; F129-H131 PolarHBondContact O-N 3.32Å; H131-R133 PolarHBondContact O-N 2.76Å; H131-L134 HydrophobicContact CB-CD1 3.6Å; H131-L134 PolarHBondContact O-N 2.79Å | ||
| 132 | P | 43.4 | Very low | 43.4 | Very low | 129 Ų | 129 | 105.9 Ų | 105.9 | 84% | 0.838 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 27.2 | -173.2 | 29.6 | -35.5 | 0 | 0 | 0 | 114 | V130 | V130-P132 WeakPolarHBondContact O-CD 3.49Š|
| 133 | R | 39.3 | Very low | 44.1 | Very low | 188 Ų | 188 | 102.9 Ų | 102.9 | 71% | 0.709 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 0 | -179.5 | -76.7 | -161.8 | 175.6 | -162.9 | 1.6 | 114.8 | H131 | H131-R133 PolarHBondContact O-N 2.76Š|
| 134 | L | 39.3 | Very low | 45.4 | Very low | 48 Ų | 48 | 99.8 Ų | 99.8 | 25% | 0.251 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -94 | 119 | 167 | -69.8 | 117 | 0 | 0 | 0 | 107.9 | A58 E63 H131 S136 | A58-L134 HydrophobicContact CB-CD2 4.1Å; E63-L134 WeakPolarHBondContact OE1-CD1 3.33Å; H131-L134 HydrophobicContact CB-CD1 3.6Å; H131-L134 PolarHBondContact O-N 2.79Å; L134-S136 PolarHBondContact O-N 3.31Å |
| 135 | L | 47.8 | Very low | 46.4 | Very low | 70 Ų | 70 | 93.3 Ų | 93.3 | 37% | 0.366 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -47.6 | 125.6 | 171.6 | -91.5 | 79.8 | 0 | 0 | 0 | 108.6 | Q57 | Q57-L135 PolarHBondContact NE2-O 2.76Š|
| 136 | S | 51.7 | Low | 47.6 | Very low | 48 Ų | 48 | 90.2 Ų | 90.2 | 34% | 0.336 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 142.2 | -176.4 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | L134 P138 E139 L140 | L134-S136 PolarHBondContact O-N 3.31Å; S136-P138 VanDerWaalsContact O-N 3.09Å; S136-E139 PolarHBondContact N-OE2 3.42Å; S136-E139 WeakPolarHBondContact O-CA 3.16Å; S136-E139 WeakPolarHBondContact O-CB 3.35Å; S136-E139 PolarHBondContact O-N 3.35Å; S136-E139 VanDerWaalsContact OG-CD 3.3Å; S136-E139 VanDerWaalsContact OG-CG 3.23Å; S136-E139 WeakPolarHBondContact OG-CG 3.08Å; S136-E139 PolarHBondContact OG-N 3.43Å; S136-E139 PolarHBondContact OG-OE2 2.83Å; S136-L140 PolarHBondContact O-N 2.93Å; S136-L140 VanDerWaalsContact O-N 3.08Å |
| 137 | V | 50.6 | Low | 48.8 | Very low | 64 Ų | 64 | 91.4 Ų | 91.4 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -42.3 | -39.8 | 171.2 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | E50 C141 | E50-V137 HydrophobicContact CG-CG1 4.44Å; E50-V137 HydrophobicContact CG-CG2 4.24Å; V137-C141 VanDerWaalsContact O-CB 3.31Å; V137-C141 WeakPolarHBondContact O-CB 3.23Å; V137-C141 PolarHBondContact O-N 3.36Å |
| 138 | P | 49 | Very low | 49.9 | Very low | 78 Ų | 78 | 87.6 Ų | 87.6 | 51% | 0.506 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.1 | -33.1 | 171.7 | 19.2 | -30.9 | 0 | 0 | 0 | 116 | S136 H142 | S136-P138 VanDerWaalsContact O-N 3.09Å; P138-H142 WeakPolarHBondContact O-CB 3.32Å; P138-H142 PolarHBondContact O-N 3.21Å |
| 139 | E | 54.2 | Low | 51.3 | Low | 98 Ų | 98 | 84.8 Ų | 84.8 | 46% | 0.458 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.8 | -38.8 | 174.4 | -79.2 | 168.9 | 147.6 | 0 | 0 | 112.3 | S136 C141 H142 H143 | S136-E139 PolarHBondContact N-OE2 3.42Å; S136-E139 WeakPolarHBondContact O-CA 3.16Å; S136-E139 WeakPolarHBondContact O-CB 3.35Å; S136-E139 PolarHBondContact O-N 3.35Å; S136-E139 VanDerWaalsContact OG-CD 3.3Å; S136-E139 VanDerWaalsContact OG-CG 3.23Å; S136-E139 WeakPolarHBondContact OG-CG 3.08Å; S136-E139 PolarHBondContact OG-N 3.43Å; S136-E139 PolarHBondContact OG-OE2 2.83Å; E139-C141 VanDerWaalsContact C-N 3.32Å; E139-H142 PolarHBondContact O-N 2.89Å; E139-H143 PolarHBondContact O-CD2 3.37Å; E139-H143 PolarHBondContact O-N 3.14Å |
| 140 | L | 56.9 | Low | 52.9 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 29% | 0.293 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 174.5 | -154.4 | 82.1 | 0 | 0 | 0 | 110.4 | L53 S136 H142 H143 V144 | L53-L140 HydrophobicContact CD2-CD2 4.05Å; S136-L140 PolarHBondContact O-N 2.93Å; S136-L140 VanDerWaalsContact O-N 3.08Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.84Å; L140-H143 PolarHBondContact O-N 3.36Å; L140-V144 WeakPolarHBondContact O-CB 3.44Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 2.94Å |
| 141 | C | 53.2 | Low | 54.1 | Low | 12 Ų | 12 | 76.1 Ų | 76.1 | 8% | 0.081 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 174.8 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | Q39 V137 E139 A145 | Q39-C141 VanDerWaalsContact CG-SG 3.6Å; V137-C141 VanDerWaalsContact O-CB 3.31Å; V137-C141 WeakPolarHBondContact O-CB 3.23Å; V137-C141 PolarHBondContact O-N 3.36Å; E139-C141 VanDerWaalsContact C-N 3.32Å; C141-A145 WeakPolarHBondContact O-CB 3.47Å; C141-A145 PolarHBondContact O-N 3.47Å |
| 142 | H | 54.1 | Low | 55.4 | Low | 91 Ų | 91 | 75.1 Ų | 75.1 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.3 | -171.7 | 70.2 | 0 | 0 | 0 | 112.1 | P138 E139 L140 A145 E146 | P138-H142 WeakPolarHBondContact O-CB 3.32Å; P138-H142 PolarHBondContact O-N 3.21Å; E139-H142 PolarHBondContact O-N 2.89Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.84Å; H142-A145 PolarHBondContact O-N 3.47Å; H142-E146 VanDerWaalsContact O-CB 3.3Å; H142-E146 WeakPolarHBondContact O-CB 3.3Å; H142-E146 PolarHBondContact O-N 3.3Å |
| 143 | H | 55.1 | Low | 56.8 | Low | 94 Ų | 94 | 71.4 Ų | 71.4 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 176.8 | -76 | -48 | 0 | 0 | 0 | 113.2 | E139 L140 A145 E146 V147 | E139-H143 PolarHBondContact O-CD2 3.37Å; E139-H143 PolarHBondContact O-N 3.14Å; L140-H143 PolarHBondContact O-N 3.36Å; H143-A145 VanDerWaalsContact C-N 3.35Å; H143-E146 IonicContact ND1-OE2 3.42Å; H143-E146 PolarHBondContact ND1-OE2 2.88Å; H143-E146 PolarHBondContact O-N 3.24Å; H143-V147 WeakPolarHBondContact O-CB 3.3Å; H143-V147 VanDerWaalsContact O-CG2 3.26Å; H143-V147 WeakPolarHBondContact O-CG2 3.4Å; H143-V147 PolarHBondContact O-N 2.81Å |
| 144 | V | 59.6 | Low | 58.2 | Low | 67 Ų | 67 | 68.9 Ų | 68.9 | 41% | 0.406 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | L42 L140 V147 W148 | L42-V144 HydrophobicContact CD2-CB 4.31Å; L42-V144 HydrophobicContact CD2-CG1 3.57Å; L140-V144 WeakPolarHBondContact O-CB 3.44Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 2.94Å; V144-V147 PolarHBondContact O-N 3.33Å; V144-W148 WeakPolarHBondContact O-CB 3.23Å; V144-W148 PolarHBondContact O-N 3.22Å |
| 145 | A | 53 | Low | 59.6 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V35 Q39 C141 H142 H143 W148 V149 | V35-A145 HydrophobicContact CG1-CB 3.88Å; Q39-A145 HydrophobicContact CB-CB 4.37Å; C141-A145 WeakPolarHBondContact O-CB 3.47Å; C141-A145 PolarHBondContact O-N 3.47Å; H142-A145 PolarHBondContact O-N 3.47Å; H143-A145 VanDerWaalsContact C-N 3.35Å; A145-W148 PolarHBondContact O-N 2.78Å; A145-V149 WeakPolarHBondContact O-CB 3.32Å; A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.24Å; A145-V149 PolarHBondContact O-N 3.48Å |
| 146 | E | 65.9 | Low | 60.7 | Low | 103 Ų | 103 | 75.9 Ų | 75.9 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 175.2 | -169.6 | -176.7 | -173 | 0 | 0 | 111.6 | H142 H143 V149 S150 | H142-E146 VanDerWaalsContact O-CB 3.3Å; H142-E146 WeakPolarHBondContact O-CB 3.3Å; H142-E146 PolarHBondContact O-N 3.3Å; H143-E146 IonicContact ND1-OE2 3.42Å; H143-E146 PolarHBondContact ND1-OE2 2.88Å; H143-E146 PolarHBondContact O-N 3.24Å; E146-V149 PolarHBondContact O-N 2.84Å; E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 3.22Å |
| 147 | V | 64.3 | Low | 61.7 | Low | 106 Ų | 106 | 77.7 Ų | 77.7 | 64% | 0.642 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | H143 V144 G151 | H143-V147 WeakPolarHBondContact O-CB 3.3Å; H143-V147 VanDerWaalsContact O-CG2 3.26Å; H143-V147 WeakPolarHBondContact O-CG2 3.4Å; H143-V147 PolarHBondContact O-N 2.81Å; V144-V147 PolarHBondContact O-N 3.33Å; V147-G151 PolarHBondContact O-N 3.44Å |
| 148 | W | 67.1 | Low | 62.5 | Low | 157 Ų | 157 | 77.3 Ų | 77.3 | 60% | 0.595 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | 177 | -177.9 | -94.8 | 0 | 0 | 0 | 111.7 | V144 A145 G151 T152 | V144-W148 WeakPolarHBondContact O-CB 3.23Å; V144-W148 PolarHBondContact O-N 3.22Å; A145-W148 PolarHBondContact O-N 2.78Å; W148-G151 PolarHBondContact O-N 3.39Å; W148-T152 VanDerWaalsContact O-CG2 3.32Å; W148-T152 WeakPolarHBondContact O-CG2 3.29Å; W148-T152 PolarHBondContact O-N 3.35Å; W148-T152 PolarHBondContact O-OG1 3.49Å |
| 149 | V | 67.4 | Low | 63.4 | Low | 7 Ų | 7 | 78 Ų | 78 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69 | -40.6 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | V35 A145 E146 G151 T152 I153 | V35-V149 HydrophobicContact CB-CG2 4.28Å; V35-V149 HydrophobicContact CG2-CB 3.73Å; V35-V149 HydrophobicContact CG2-CG1 3.88Å; V35-V149 HydrophobicContact CG2-CG2 3.49Å; V35-V149 VanDerWaalsContact CG2-CG2 3.49Å; A145-V149 WeakPolarHBondContact O-CB 3.32Å; A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.24Å; A145-V149 PolarHBondContact O-N 3.48Å; E146-V149 PolarHBondContact O-N 2.84Å; V149-G151 VanDerWaalsContact C-N 3.34Å; V149-G151 PolarHBondContact O-N 2.84Å; V149-T152 WeakPolarHBondContact CA-OG1 3.31Å; V149-T152 PolarHBondContact O-N 2.78Å; V149-T152 PolarHBondContact O-OG1 3.46Å; V149-I153 HydrophobicContact CG1-CD1 3.69Å; V149-I153 HydrophobicContact CG1-CG1 4.41Å; V149-I153 WeakPolarHBondContact O-CB 3.49Å; V149-I153 VanDerWaalsContact O-CD1 3.3Å; V149-I153 WeakPolarHBondContact O-CD1 3.15Å; V149-I153 WeakPolarHBondContact O-CG1 3.43Å; V149-I153 PolarHBondContact O-N 3.02Å |
| 150 | S | 68.3 | Low | 64.1 | Low | 75 Ų | 75 | 76.9 Ų | 76.9 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 172.4 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | E146 I153 F154 | E146-S150 WeakPolarHBondContact O-CB 3.41Å; E146-S150 PolarHBondContact O-N 3.22Å; S150-I153 PolarHBondContact O-N 3.39Å; S150-F154 VanDerWaalsContact O-CB 3.29Å; S150-F154 WeakPolarHBondContact O-CB 3.22Å; S150-F154 PolarHBondContact O-N 3.44Å |
| 151 | G | 61.9 | Low | 64.4 | Low | 28 Ų | 28 | 77.7 Ų | 77.7 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V147 W148 V149 F154 I155 | V147-G151 PolarHBondContact O-N 3.44Å; W148-G151 PolarHBondContact O-N 3.39Å; V149-G151 VanDerWaalsContact C-N 3.34Å; V149-G151 PolarHBondContact O-N 2.84Å; G151-F154 PolarHBondContact O-N 3.3Å; G151-I155 WeakPolarHBondContact O-CB 3.43Å; G151-I155 VanDerWaalsContact O-CG1 3.23Å; G151-I155 WeakPolarHBondContact O-CG1 3.15Å; G151-I155 PolarHBondContact O-N 2.86Å |
| 152 | T | 61.1 | Low | 65.2 | Low | 58 Ų | 58 | 82.4 Ų | 82.4 | 36% | 0.356 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 112 | W148 V149 R156 | W148-T152 VanDerWaalsContact O-CG2 3.32Å; W148-T152 WeakPolarHBondContact O-CG2 3.29Å; W148-T152 PolarHBondContact O-N 3.35Å; W148-T152 PolarHBondContact O-OG1 3.49Å; V149-T152 WeakPolarHBondContact CA-OG1 3.31Å; V149-T152 PolarHBondContact O-N 2.78Å; V149-T152 PolarHBondContact O-OG1 3.46Å; T152-R156 VanDerWaalsContact O-CB 3.25Å; T152-R156 WeakPolarHBondContact O-CB 3.41Å; T152-R156 PolarHBondContact O-N 3.05Å |
| 153 | I | 73.1 | Confident | 65.8 | Low | 52 Ų | 52 | 86.6 Ų | 86.6 | 27% | 0.267 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 172.5 | -67.7 | 161.3 | 0 | 0 | 0 | 110.7 | R31 V149 S150 R156 N157 | R31-I153 VanDerWaalsContact CD-CD1 3.44Å; R31-I153 HydrophobicContact CG-CD1 3.88Å; V149-I153 HydrophobicContact CG1-CD1 3.69Å; V149-I153 HydrophobicContact CG1-CG1 4.41Å; V149-I153 WeakPolarHBondContact O-CB 3.49Å; V149-I153 VanDerWaalsContact O-CD1 3.3Å; V149-I153 WeakPolarHBondContact O-CD1 3.15Å; V149-I153 WeakPolarHBondContact O-CG1 3.43Å; V149-I153 PolarHBondContact O-N 3.02Å; S150-I153 PolarHBondContact O-N 3.39Å; I153-R156 PolarHBondContact O-N 3.4Å; I153-N157 WeakPolarHBondContact O-CB 3.31Å; I153-N157 PolarHBondContact O-N 3.49Å; I153-N157 PolarHBondContact O-ND2 2.81Å |
| 154 | F | 69.5 | Low | 66.4 | Low | 134 Ų | 134 | 89 Ų | 89 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.6 | -46.3 | 177.8 | 180 | -99.8 | 0 | 0 | 0 | 111.6 | S150 G151 R156 N157 L158 | S150-F154 VanDerWaalsContact O-CB 3.29Å; S150-F154 WeakPolarHBondContact O-CB 3.22Å; S150-F154 PolarHBondContact O-N 3.44Å; G151-F154 PolarHBondContact O-N 3.3Å; F154-R156 VanDerWaalsContact C-N 3.31Å; F154-R156 PolarHBondContact O-N 2.88Å; F154-N157 CarbonylContact O-C 3.6Å; F154-N157 PolarHBondContact O-N 3.34Å; F154-L158 VanDerWaalsContact O-CB 3.3Å; F154-L158 WeakPolarHBondContact O-CB 3.3Å; F154-L158 PolarHBondContact O-N 2.89Å |
| 155 | I | 68.1 | Low | 66.6 | Low | 96 Ų | 96 | 88.6 Ų | 88.6 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.8 | -68.2 | 164.2 | 0 | 0 | 0 | 110.1 | G151 N157 L158 L159 | G151-I155 WeakPolarHBondContact O-CB 3.43Å; G151-I155 VanDerWaalsContact O-CG1 3.23Å; G151-I155 WeakPolarHBondContact O-CG1 3.15Å; G151-I155 PolarHBondContact O-N 2.86Å; I155-N157 PolarHBondContact O-N 2.89Å; I155-L158 WeakPolarHBondContact O-CB 3.35Å; I155-L158 PolarHBondContact O-N 2.81Å; I155-L159 HydrophobicContact CG2-CD1 3.93Å; I155-L159 HydrophobicContact CG2-CG 4.29Å; I155-L159 WeakPolarHBondContact O-CB 3.37Å; I155-L159 VanDerWaalsContact O-CG 3.23Å; I155-L159 WeakPolarHBondContact O-CG 3.16Å; I155-L159 PolarHBondContact O-N 2.81Å |
| 156 | R | 71.4 | Confident | 67.5 | Low | 170 Ų | 170 | 92.9 Ų | 92.9 | 64% | 0.642 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 175.9 | -163.6 | 172.3 | 90.7 | 158.8 | 3.9 | 111.3 | T152 I153 F154 L158 L159 L160 | T152-R156 VanDerWaalsContact O-CB 3.25Å; T152-R156 WeakPolarHBondContact O-CB 3.41Å; T152-R156 PolarHBondContact O-N 3.05Å; I153-R156 PolarHBondContact O-N 3.4Å; F154-R156 VanDerWaalsContact C-N 3.31Å; F154-R156 PolarHBondContact O-N 2.88Å; R156-L158 VanDerWaalsContact C-N 3.33Å; R156-L158 PolarHBondContact O-N 3.39Å; R156-L159 PolarHBondContact O-N 3.3Å; R156-L160 WeakPolarHBondContact O-CB 3.3Å; R156-L160 WeakPolarHBondContact O-CG 3.47Å; R156-L160 PolarHBondContact O-N 2.86Å |
| 157 | N | 72.8 | Confident | 67.8 | Low | 86 Ų | 86 | 90.1 Ų | 90.1 | 46% | 0.46 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 175 | -71.6 | -21.6 | 0 | 0 | 0 | 112 | I153 F154 I155 L160 F161 | I153-N157 WeakPolarHBondContact O-CB 3.31Å; I153-N157 PolarHBondContact O-N 3.49Å; I153-N157 PolarHBondContact O-ND2 2.81Å; F154-N157 CarbonylContact O-C 3.6Å; F154-N157 PolarHBondContact O-N 3.34Å; I155-N157 PolarHBondContact O-N 2.89Å; N157-L160 PolarHBondContact O-N 3.32Å; N157-F161 VanDerWaalsContact O-CB 3.3Å; N157-F161 WeakPolarHBondContact O-CB 3.15Å; N157-F161 PolarHBondContact O-N 2.83Å |
| 158 | L | 67.3 | Low | 68.2 | Low | 55 Ų | 55 | 91 Ų | 91 | 29% | 0.288 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 175.6 | -169.8 | 67.9 | 0 | 0 | 0 | 111.6 | F154 I155 R156 F161 K162 F169 L172 | F154-L158 VanDerWaalsContact O-CB 3.3Å; F154-L158 WeakPolarHBondContact O-CB 3.3Å; F154-L158 PolarHBondContact O-N 2.89Å; I155-L158 WeakPolarHBondContact O-CB 3.35Å; I155-L158 PolarHBondContact O-N 2.81Å; R156-L158 VanDerWaalsContact C-N 3.33Å; R156-L158 PolarHBondContact O-N 3.39Å; L158-F161 WeakPolarHBondContact O-CB 3.24Å; L158-F161 PolarHBondContact O-N 2.82Å; L158-K162 PolarHBondContact O-N 3.48Å; L158-F169 HydrophobicContact CD1-CD2 4.01Å; L158-F169 HydrophobicContact CD1-CE2 3.78Å; L158-F169 HydrophobicContact CD2-CE2 4.18Å; L158-F169 HydrophobicContact CG-CD2 4.3Å; L158-F169 HydrophobicContact CG-CE2 3.69Å; L158-L172 HydrophobicContact CD1-CD2 4.33Å |
| 159 | L | 66.1 | Low | 68.5 | Low | 94 Ų | 94 | 85.7 Ų | 85.7 | 49% | 0.492 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 173.6 | -70.7 | 172.6 | 0 | 0 | 0 | 112.1 | I155 R156 F161 K162 K163 | I155-L159 HydrophobicContact CG2-CD1 3.93Å; I155-L159 HydrophobicContact CG2-CG 4.29Å; I155-L159 WeakPolarHBondContact O-CB 3.37Å; I155-L159 VanDerWaalsContact O-CG 3.23Å; I155-L159 WeakPolarHBondContact O-CG 3.16Å; I155-L159 PolarHBondContact O-N 2.81Å; R156-L159 PolarHBondContact O-N 3.3Å; L159-F161 VanDerWaalsContact C-N 3.32Å; L159-K162 WeakPolarHBondContact O-CB 3.49Å; L159-K162 PolarHBondContact O-N 2.82Å; L159-K163 PolarHBondContact O-N 2.81Å; L159-K163 VanDerWaalsContact O-N 3.07Å |
| 160 | L | 70.2 | Confident | 68.7 | Low | 74 Ų | 74 | 88.9 Ų | 88.9 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 170.5 | -71.3 | 171.7 | 0 | 0 | 0 | 110.9 | R156 N157 K163 Q164 | R156-L160 WeakPolarHBondContact O-CB 3.3Å; R156-L160 WeakPolarHBondContact O-CG 3.47Å; R156-L160 PolarHBondContact O-N 2.86Å; N157-L160 PolarHBondContact O-N 3.32Å; L160-K163 PolarHBondContact O-N 2.89Å; L160-Q164 WeakPolarHBondContact O-CB 3.43Å; L160-Q164 WeakPolarHBondContact O-CG 3.36Å; L160-Q164 PolarHBondContact O-N 3.36Å |
| 161 | F | 63.8 | Low | 69.2 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 32% | 0.316 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 174.5 | -169.3 | -104.7 | 0 | 0 | 0 | 112.1 | N157 L158 L159 K163 Q164 N165 K168 F169 | N157-F161 VanDerWaalsContact O-CB 3.3Å; N157-F161 WeakPolarHBondContact O-CB 3.15Å; N157-F161 PolarHBondContact O-N 2.83Å; L158-F161 WeakPolarHBondContact O-CB 3.24Å; L158-F161 PolarHBondContact O-N 2.82Å; L159-F161 VanDerWaalsContact C-N 3.32Å; F161-K163 VanDerWaalsContact C-N 3.32Å; F161-K163 PolarHBondContact O-N 3.41Å; F161-Q164 PolarHBondContact O-N 2.93Å; F161-N165 CarbonylContact O-C 3.57Å; F161-N165 PolarHBondContact O-N 2.82Å; F161-K168 HydrophobicContact CE1-CB 3.87Å; F161-K168 HydrophobicContact CZ-CB 3.67Å; F161-K168 HydrophobicContact CZ-CD 4.33Å; F161-F169 HydrophobicContact CD1-CB 3.93Å; F161-F169 HydrophobicContact CD1-CD2 4.24Å; F161-F169 HydrophobicContact CE1-CB 4.22Å |
| 162 | K | 69.9 | Low | 69.9 | Low | 112 Ų | 112 | 94.3 Ų | 94.3 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 170.4 | -179.8 | 179.7 | 177.3 | 177.5 | 0 | 112 | L158 L159 F169 | L158-K162 PolarHBondContact O-N 3.48Å; L159-K162 WeakPolarHBondContact O-CB 3.49Å; L159-K162 PolarHBondContact O-N 2.82Å; K162-F169 HydrophobicContact CB-CB 4.43Å; K162-F169 HydrophobicContact CB-CD1 3.93Å; K162-F169 HydrophobicContact CB-CD2 4.18Å; K162-F169 HydrophobicContact CB-CE1 4.24Å; K162-F169 HydrophobicContact CB-CE2 4.49Å; K162-F169 HydrophobicContact CB-CG 3.89Å; K162-F169 HydrophobicContact CD-CD1 4.17Å; K162-F169 HydrophobicContact CD-CE1 3.87Å; K162-F169 HydrophobicContact CD-CZ 4.39Å; K162-F169 HydrophobicContact CG-CD1 3.78Å; K162-F169 HydrophobicContact CG-CE1 4Å; K162-F169 HydrophobicContact CG-CG 4.24Å |
| 163 | K | 65.8 | Low | 70.3 | Confident | 179 Ų | 179 | 93.3 Ų | 93.3 | 78% | 0.778 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -73.6 | -39.2 | 178.4 | -74.4 | -172.6 | 176.6 | -173.5 | 0 | 113.3 | L159 L160 F161 | L159-K163 PolarHBondContact O-N 2.81Å; L159-K163 VanDerWaalsContact O-N 3.07Å; L160-K163 PolarHBondContact O-N 2.89Å; F161-K163 VanDerWaalsContact C-N 3.32Å; F161-K163 PolarHBondContact O-N 3.41Å |
| 164 | Q | 67.6 | Low | 70.1 | Confident | 144 Ų | 144 | 93.9 Ų | 93.9 | 67% | 0.673 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -80.5 | -34.2 | -177.2 | -72 | 178.5 | 7.3 | 0 | 0 | 113.4 | L160 F161 | L160-Q164 WeakPolarHBondContact O-CB 3.43Å; L160-Q164 WeakPolarHBondContact O-CG 3.36Å; L160-Q164 PolarHBondContact O-N 3.36Å; F161-Q164 PolarHBondContact O-N 2.93Å |
| 165 | N | 64.8 | Low | 70.5 | Confident | 59 Ų | 59 | 89.2 Ų | 89.2 | 32% | 0.316 | 47% | 0.467 | S | S | . | . | trans | -144.6 | 78.6 | -177 | -68.2 | -75.9 | 0 | 0 | 0 | 111 | F161 G167 K168 F169 | F161-N165 CarbonylContact O-C 3.57Å; F161-N165 PolarHBondContact O-N 2.82Å; N165-G167 PolarHBondContact O-N 3.09Å; N165-K168 HydrophobicContact CB-CB 4.14Å; N165-K168 HydrophobicContact CB-CD 4.16Å; N165-K168 HydrophobicContact CB-CG 4.35Å; N165-K168 PolarHBondContact O-N 3.28Å; N165-F169 PolarHBondContact O-N 3.34Å; N165-F169 VanDerWaalsContact O-N 3.14Å | ||
| 166 | P | 71.7 | Confident | 70.7 | Confident | 89 Ų | 89 | 88.8 Ų | 88.8 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.4 | -33.6 | -175.7 | 23.7 | -33.8 | 0 | 0 | 0 | 112.8 | C170 | P166-C170 VanDerWaalsContact O-CB 3.3Å; P166-C170 WeakPolarHBondContact O-CB 3.45Å; P166-C170 PolarHBondContact O-N 3.49Å |
| 167 | G | 72.3 | Confident | 70.8 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 46% | 0.464 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | N165 C170 L171 | N165-G167 PolarHBondContact O-N 3.09Å; G167-C170 PolarHBondContact O-N 3.27Å; G167-L171 WeakPolarHBondContact O-CG 3.49Å; G167-L171 PolarHBondContact O-N 3.47Å |
| 168 | K | 72.6 | Confident | 71 | Confident | 125 Ų | 125 | 85.6 Ų | 85.6 | 54% | 0.543 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.8 | -37.3 | 178.3 | -68.1 | 177.1 | -178.1 | 158.7 | 0 | 111.7 | F161 N165 L171 L172 | F161-K168 HydrophobicContact CE1-CB 3.87Å; F161-K168 HydrophobicContact CZ-CB 3.67Å; F161-K168 HydrophobicContact CZ-CD 4.33Å; N165-K168 HydrophobicContact CB-CB 4.14Å; N165-K168 HydrophobicContact CB-CD 4.16Å; N165-K168 HydrophobicContact CB-CG 4.35Å; N165-K168 PolarHBondContact O-N 3.28Å; K168-L171 PolarHBondContact O-N 3.39Å; K168-L172 WeakPolarHBondContact O-CB 3.5Å; K168-L172 PolarHBondContact O-N 2.99Å |
| 169 | F | 72.6 | Confident | 71.4 | Confident | 46 Ų | 46 | 89.3 Ų | 89.3 | 20% | 0.202 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 172.8 | 178.1 | -99.7 | 0 | 0 | 0 | 111.4 | L158 F161 K162 N165 L172 S173 | L158-F169 HydrophobicContact CD1-CD2 4.01Å; L158-F169 HydrophobicContact CD1-CE2 3.78Å; L158-F169 HydrophobicContact CD2-CE2 4.18Å; L158-F169 HydrophobicContact CG-CD2 4.3Å; L158-F169 HydrophobicContact CG-CE2 3.69Å; F161-F169 HydrophobicContact CD1-CB 3.93Å; F161-F169 HydrophobicContact CD1-CD2 4.24Å; F161-F169 HydrophobicContact CE1-CB 4.22Å; K162-F169 HydrophobicContact CB-CB 4.43Å; K162-F169 HydrophobicContact CB-CD1 3.93Å; K162-F169 HydrophobicContact CB-CD2 4.18Å; K162-F169 HydrophobicContact CB-CE1 4.24Å; K162-F169 HydrophobicContact CB-CE2 4.49Å; K162-F169 HydrophobicContact CB-CG 3.89Å; K162-F169 HydrophobicContact CD-CD1 4.17Å; K162-F169 HydrophobicContact CD-CE1 3.87Å; K162-F169 HydrophobicContact CD-CZ 4.39Å; K162-F169 HydrophobicContact CG-CD1 3.78Å; K162-F169 HydrophobicContact CG-CE1 4Å; K162-F169 HydrophobicContact CG-CG 4.24Å; N165-F169 PolarHBondContact O-N 3.34Å; N165-F169 VanDerWaalsContact O-N 3.14Å; F169-L172 PolarHBondContact O-N 3.29Å; F169-S173 WeakPolarHBondContact O-CB 3.43Å; F169-S173 PolarHBondContact O-N 2.97Å; F169-S173 PolarHBondContact O-OG 3.02Å; F169-S173 VanDerWaalsContact O-OG 3.08Å |
| 170 | C | 71.9 | Confident | 71.7 | Confident | 73 Ų | 73 | 89.4 Ų | 89.4 | 49% | 0.493 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.5 | -50.5 | 174.1 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | P166 G167 L172 S173 C174 | P166-C170 VanDerWaalsContact O-CB 3.3Å; P166-C170 WeakPolarHBondContact O-CB 3.45Å; P166-C170 PolarHBondContact O-N 3.49Å; G167-C170 PolarHBondContact O-N 3.27Å; C170-L172 VanDerWaalsContact C-N 3.34Å; C170-L172 PolarHBondContact O-N 2.83Å; C170-S173 PolarHBondContact O-N 2.9Å; C170-S173 PolarHBondContact O-OG 3.47Å; C170-C174 WeakPolarHBondContact O-CB 3.41Å; C170-C174 PolarHBondContact O-N 2.91Å |
| 171 | L | 77.9 | Confident | 71.8 | Confident | 133 Ų | 133 | 88.6 Ų | 88.6 | 70% | 0.696 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.1 | -39.7 | 177 | -71.9 | 177.3 | 0 | 0 | 0 | 113 | G167 K168 G175 | G167-L171 WeakPolarHBondContact O-CG 3.49Å; G167-L171 PolarHBondContact O-N 3.47Å; K168-L171 PolarHBondContact O-N 3.39Å; L171-G175 PolarHBondContact O-N 3.28Å |
| 172 | L | 77.1 | Confident | 72.6 | Confident | 85 Ų | 85 | 88 Ų | 88 | 45% | 0.445 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -49.7 | 175.6 | -176 | 75.7 | 0 | 0 | 0 | 111.1 | L158 K168 F169 C170 G175 I176 | L158-L172 HydrophobicContact CD1-CD2 4.33Å; K168-L172 WeakPolarHBondContact O-CB 3.5Å; K168-L172 PolarHBondContact O-N 2.99Å; F169-L172 PolarHBondContact O-N 3.29Å; C170-L172 VanDerWaalsContact C-N 3.34Å; C170-L172 PolarHBondContact O-N 2.83Å; L172-G175 PolarHBondContact O-N 3.44Å; L172-I176 HydrophobicContact CD1-CD1 4.45Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 VanDerWaalsContact O-CG1 3.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 2.76Å |
| 173 | S | 69.7 | Low | 72.7 | Confident | 37 Ų | 37 | 85.2 Ų | 85.2 | 26% | 0.259 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 179.3 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | F169 C170 I176 L177 | F169-S173 WeakPolarHBondContact O-CB 3.43Å; F169-S173 PolarHBondContact O-N 2.97Å; F169-S173 PolarHBondContact O-OG 3.02Å; F169-S173 VanDerWaalsContact O-OG 3.08Å; C170-S173 PolarHBondContact O-N 2.9Å; C170-S173 PolarHBondContact O-OG 3.47Å; S173-I176 PolarHBondContact O-N 3.09Å; S173-L177 VanDerWaalsContact O-CB 3.32Å; S173-L177 WeakPolarHBondContact O-CB 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.45Å; S173-L177 PolarHBondContact O-N 2.86Å |
| 174 | C | 69.1 | Low | 73 | Confident | 64 Ų | 64 | 78.6 Ų | 78.6 | 43% | 0.432 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 174 | -174.4 | 0 | 0 | 0 | 0 | 111 | C170 L177 T178 | C170-C174 WeakPolarHBondContact O-CB 3.41Å; C170-C174 PolarHBondContact O-N 2.91Å; C174-L177 PolarHBondContact O-N 3.32Å; C174-T178 VanDerWaalsContact O-CB 3.27Å; C174-T178 WeakPolarHBondContact O-CB 3.19Å; C174-T178 WeakPolarHBondContact O-CG2 3.21Å; C174-T178 PolarHBondContact O-N 2.91Å; C174-T178 PolarHBondContact O-OG1 2.86Å |
| 175 | G | 77.6 | Confident | 73.6 | Confident | 36 Ų | 36 | 81.5 Ų | 81.5 | 37% | 0.371 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L171 L172 T178 F179 | L171-G175 PolarHBondContact O-N 3.28Å; L172-G175 PolarHBondContact O-N 3.44Å; G175-T178 WeakPolarHBondContact CA-OG1 3.4Å; G175-T178 PolarHBondContact O-OG1 3.27Å; G175-F179 WeakPolarHBondContact O-CB 3.44Å; G175-F179 PolarHBondContact O-N 3.4Å |
| 176 | I | 73.8 | Confident | 74.1 | Confident | 87 Ų | 87 | 87.8 Ų | 87.8 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 176.4 | -67 | 165.3 | 0 | 0 | 0 | 110.4 | L172 S173 F179 L180 | L172-I176 HydrophobicContact CD1-CD1 4.45Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 VanDerWaalsContact O-CG1 3.28Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 2.76Å; S173-I176 PolarHBondContact O-N 3.09Å; I176-F179 PolarHBondContact O-N 2.75Å; I176-L180 HydrophobicContact CG2-CD1 4Å; I176-L180 WeakPolarHBondContact O-CB 3.48Å; I176-L180 VanDerWaalsContact O-CD1 3.31Å; I176-L180 WeakPolarHBondContact O-CD1 3.5Å; I176-L180 PolarHBondContact O-N 2.87Å |
| 177 | L | 71.7 | Confident | 74.4 | Confident | 115 Ų | 115 | 85.5 Ų | 85.5 | 60% | 0.602 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | -179.9 | -70.9 | 171.7 | 0 | 0 | 0 | 112.3 | S173 C174 L180 A181 | S173-L177 VanDerWaalsContact O-CB 3.32Å; S173-L177 WeakPolarHBondContact O-CB 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.45Å; S173-L177 PolarHBondContact O-N 2.86Å; C174-L177 PolarHBondContact O-N 3.32Å; L177-L180 PolarHBondContact O-N 3.36Å; L177-A181 WeakPolarHBondContact O-CB 3.24Å; L177-A181 PolarHBondContact O-N 2.8Å |
| 178 | T | 76.8 | Confident | 74.7 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | C174 G175 A181 V182 | C174-T178 VanDerWaalsContact O-CB 3.27Å; C174-T178 WeakPolarHBondContact O-CB 3.19Å; C174-T178 WeakPolarHBondContact O-CG2 3.21Å; C174-T178 PolarHBondContact O-N 2.91Å; C174-T178 PolarHBondContact O-OG1 2.86Å; G175-T178 WeakPolarHBondContact CA-OG1 3.4Å; G175-T178 PolarHBondContact O-OG1 3.27Å; T178-A181 PolarHBondContact O-N 3.39Å; T178-V182 WeakPolarHBondContact O-CB 3.42Å; T178-V182 VanDerWaalsContact O-CG2 3.24Å; T178-V182 WeakPolarHBondContact O-CG2 3.26Å; T178-V182 PolarHBondContact O-N 2.78Å |
| 179 | F | 77.2 | Confident | 74.8 | Confident | 132 Ų | 132 | 84 Ų | 84 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.6 | -48.9 | 172.5 | 177.7 | -102.9 | 0 | 0 | 0 | 111.6 | G175 I176 A181 V182 L183 | G175-F179 WeakPolarHBondContact O-CB 3.44Å; G175-F179 PolarHBondContact O-N 3.4Å; I176-F179 PolarHBondContact O-N 2.75Å; F179-A181 VanDerWaalsContact C-N 3.3Å; F179-A181 PolarHBondContact O-N 3.31Å; F179-V182 PolarHBondContact O-N 2.83Å; F179-L183 HydrophobicContact CE1-CD2 4.17Å; F179-L183 HydrophobicContact CZ-CD2 4.39Å; F179-L183 VanDerWaalsContact O-CB 3.26Å; F179-L183 WeakPolarHBondContact O-CB 3.45Å; F179-L183 PolarHBondContact O-N 3.43Å |
| 180 | L | 71.2 | Confident | 74.9 | Confident | 97 Ų | 97 | 85.2 Ų | 85.2 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 175 | -96.9 | 65.1 | 0 | 0 | 0 | 111.8 | I176 L177 L183 G184 | I176-L180 HydrophobicContact CG2-CD1 4Å; I176-L180 WeakPolarHBondContact O-CB 3.48Å; I176-L180 VanDerWaalsContact O-CD1 3.31Å; I176-L180 WeakPolarHBondContact O-CD1 3.5Å; I176-L180 PolarHBondContact O-N 2.87Å; L177-L180 PolarHBondContact O-N 3.36Å; L180-L183 PolarHBondContact O-N 3.31Å; L180-G184 PolarHBondContact O-N 2.82Å |
| 181 | A | 72.3 | Confident | 75 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L177 T178 F179 G184 R185 | L177-A181 WeakPolarHBondContact O-CB 3.24Å; L177-A181 PolarHBondContact O-N 2.8Å; T178-A181 PolarHBondContact O-N 3.39Å; F179-A181 VanDerWaalsContact C-N 3.3Å; F179-A181 PolarHBondContact O-N 3.31Å; A181-G184 PolarHBondContact O-N 3.43Å; A181-R185 WeakPolarHBondContact O-CG 3.47Å; A181-R185 PolarHBondContact O-N 3.46Å |
| 182 | V | 81.8 | Confident | 74.9 | Confident | 59 Ų | 59 | 81.8 Ų | 81.8 | 36% | 0.358 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 173.7 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | T178 F179 G184 R185 Y186 | T178-V182 WeakPolarHBondContact O-CB 3.42Å; T178-V182 VanDerWaalsContact O-CG2 3.24Å; T178-V182 WeakPolarHBondContact O-CG2 3.26Å; T178-V182 PolarHBondContact O-N 2.78Å; F179-V182 PolarHBondContact O-N 2.83Å; V182-G184 VanDerWaalsContact C-N 3.32Å; V182-G184 PolarHBondContact O-N 3.44Å; V182-R185 PolarHBondContact O-N 3.4Å; V182-R185 VanDerWaalsContact O-N 3.09Å; V182-Y186 HydrophobicContact CG1-CD2 3.8Å; V182-Y186 HydrophobicContact CG1-CE2 4.06Å; V182-Y186 WeakPolarHBondContact O-CD2 3.33Å; V182-Y186 PolarHBondContact O-N 2.81Å |
| 183 | L | 71.9 | Confident | 75.1 | Confident | 53 Ų | 53 | 80.1 Ų | 80.1 | 28% | 0.277 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 177.8 | -160.2 | 68.3 | 0 | 0 | 0 | 111.6 | F179 L180 R185 Y186 I187 L192 | F179-L183 HydrophobicContact CE1-CD2 4.17Å; F179-L183 HydrophobicContact CZ-CD2 4.39Å; F179-L183 VanDerWaalsContact O-CB 3.26Å; F179-L183 WeakPolarHBondContact O-CB 3.45Å; F179-L183 PolarHBondContact O-N 3.43Å; L180-L183 PolarHBondContact O-N 3.31Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 3.33Å; L183-Y186 PolarHBondContact O-N 2.83Å; L183-I187 HydrophobicContact CD1-CD1 4.06Å; L183-I187 HydrophobicContact CG-CD1 4.37Å; L183-I187 WeakPolarHBondContact O-CB 3.42Å; L183-I187 PolarHBondContact O-N 3.43Å; L183-L192 HydrophobicContact CD2-CD1 3.82Å; L183-L192 HydrophobicContact CG-CD1 4.22Å |
| 184 | G | 72.1 | Confident | 75.6 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.3 | -19.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L180 A181 V182 I187 | L180-G184 PolarHBondContact O-N 2.82Å; A181-G184 PolarHBondContact O-N 3.43Å; V182-G184 VanDerWaalsContact C-N 3.32Å; V182-G184 PolarHBondContact O-N 3.44Å; G184-I187 CarbonylContact C-O 3.58Å; G184-I187 VanDerWaalsContact O-O 3.11Å |
| 185 | R | 78.7 | Confident | 76 | Confident | 206 Ų | 206 | 82.3 Ų | 82.3 | 78% | 0.777 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -82.1 | -35.3 | 168.7 | -75.4 | -160.5 | -71.1 | 139.9 | -8.4 | 112.5 | A181 V182 L183 | A181-R185 WeakPolarHBondContact O-CG 3.47Å; A181-R185 PolarHBondContact O-N 3.46Å; V182-R185 PolarHBondContact O-N 3.4Å; V182-R185 VanDerWaalsContact O-N 3.09Å; L183-R185 VanDerWaalsContact C-N 3.3Å; L183-R185 PolarHBondContact O-N 3.33Å |
| 186 | Y | 76.6 | Confident | 76 | Confident | 191 Ų | 191 | 85.3 Ų | 85.3 | 75% | 0.749 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -76.3 | -31.6 | 178.9 | -98.6 | -86.5 | 0 | 0 | 0 | 113 | V182 L183 | V182-Y186 HydrophobicContact CG1-CD2 3.8Å; V182-Y186 HydrophobicContact CG1-CE2 4.06Å; V182-Y186 WeakPolarHBondContact O-CD2 3.33Å; V182-Y186 PolarHBondContact O-N 2.81Å; L183-Y186 PolarHBondContact O-N 2.83Å |
| 187 | I | 77.4 | Confident | 76.3 | Confident | 40 Ų | 40 | 83.4 Ų | 83.4 | 21% | 0.205 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -125.5 | 125 | -172.8 | -62.3 | 176.6 | 0 | 0 | 0 | 108.2 | L183 G184 G189 L191 L192 | L183-I187 HydrophobicContact CD1-CD1 4.06Å; L183-I187 HydrophobicContact CG-CD1 4.37Å; L183-I187 WeakPolarHBondContact O-CB 3.42Å; L183-I187 PolarHBondContact O-N 3.43Å; G184-I187 CarbonylContact C-O 3.58Å; G184-I187 VanDerWaalsContact O-O 3.11Å; I187-G189 PolarHBondContact O-N 3.41Å; I187-L191 HydrophobicContact CG2-CB 3.58Å; I187-L191 HydrophobicContact CG2-CD2 3.6Å; I187-L191 HydrophobicContact CG2-CG 3.89Å; I187-L192 HydrophobicContact CG2-CB 4.38Å |
| 188 | P | 79.8 | Confident | 76.5 | Confident | 88 Ų | 88 | 80.2 Ų | 80.2 | 57% | 0.571 | 43% | 0.43 | S | S | * | . | trans | -55.4 | 132.1 | 173.7 | 22.6 | -31.5 | 0 | 0 | 0 | 108.7 | L190 L191 L192 | P188-L190 CarbonylContact O-C 3.59Å; P188-L190 PolarHBondContact O-N 2.83Å; P188-L191 HydrophobicContact CG-CB 3.96Å; P188-L191 WeakPolarHBondContact O-CA 3.45Å; P188-L191 WeakPolarHBondContact O-CB 3.46Å; P188-L191 PolarHBondContact O-N 2.97Å; P188-L192 PolarHBondContact O-N 2.79Å | ||
| 189 | G | 73 | Confident | 76.4 | Confident | 51 Ų | 51 | 80.8 Ų | 80.8 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -52.7 | -26.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I187 L192 S193 | I187-G189 PolarHBondContact O-N 3.41Å; G189-L192 PolarHBondContact O-N 3.27Å; G189-S193 WeakPolarHBondContact O-CB 3.29Å; G189-S193 PolarHBondContact O-N 3.45Å; G189-S193 PolarHBondContact O-OG 2.93Å |
| 190 | L | 75 | Confident | 76.3 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.8 | -51 | 169.7 | -156.5 | 99.5 | 0 | 0 | 0 | 112.6 | F79 W80 A83 P188 L192 S193 Y194 | F79-L190 HydrophobicContact CE1-CD2 4.48Å; F79-L190 HydrophobicContact CE1-CG 4.36Å; F79-L190 HydrophobicContact CZ-CG 4.2Å; F79-L190 WeakPolarHBondContact CZ-O 3.41Å; W80-L190 HydrophobicContact CH2-CD2 4.44Å; W80-L190 HydrophobicContact CZ3-CD2 4Å; A83-L190 HydrophobicContact CB-CD1 3.33Å; A83-L190 HydrophobicContact CB-CD2 3.75Å; A83-L190 HydrophobicContact CB-CG 3.94Å; P188-L190 CarbonylContact O-C 3.59Å; P188-L190 PolarHBondContact O-N 2.83Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.31Å; L190-S193 PolarHBondContact O-N 3.46Å; L190-S193 PolarHBondContact O-OG 3.29Å; L190-Y194 WeakPolarHBondContact O-CB 3.45Å; L190-Y194 PolarHBondContact O-N 3.18Å |
| 191 | L | 74.4 | Confident | 76.3 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 41% | 0.408 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -36.1 | 179.2 | -172 | 75.4 | 0 | 0 | 0 | 111.1 | I187 P188 Y194 L195 | I187-L191 HydrophobicContact CG2-CB 3.58Å; I187-L191 HydrophobicContact CG2-CD2 3.6Å; I187-L191 HydrophobicContact CG2-CG 3.89Å; P188-L191 HydrophobicContact CG-CB 3.96Å; P188-L191 WeakPolarHBondContact O-CA 3.45Å; P188-L191 WeakPolarHBondContact O-CB 3.46Å; P188-L191 PolarHBondContact O-N 2.97Å; L191-Y194 WeakPolarHBondContact O-CB 3.2Å; L191-Y194 PolarHBondContact O-N 3.48Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.26Å; L191-L195 PolarHBondContact O-N 3.37Å |
| 192 | L | 76.4 | Confident | 76 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 29% | 0.293 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 174.1 | -166.1 | 80.7 | 0 | 0 | 0 | 111.2 | L183 I187 P188 G189 L190 Y194 L195 I196 | L183-L192 HydrophobicContact CD2-CD1 3.82Å; L183-L192 HydrophobicContact CG-CD1 4.22Å; I187-L192 HydrophobicContact CG2-CB 4.38Å; P188-L192 PolarHBondContact O-N 2.79Å; G189-L192 PolarHBondContact O-N 3.27Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-L192 PolarHBondContact O-N 3.31Å; L192-Y194 VanDerWaalsContact C-N 3.31Å; L192-Y194 PolarHBondContact O-N 3.04Å; L192-L195 PolarHBondContact O-N 3Å; L192-I196 HydrophobicContact CG-CD1 4.43Å; L192-I196 WeakPolarHBondContact O-CG1 3.37Å; L192-I196 PolarHBondContact O-N 2.78Å |
| 193 | S | 79.8 | Confident | 75.2 | Confident | 50 Ų | 50 | 82.6 Ų | 82.6 | 35% | 0.35 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 176.9 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | F79 G189 L190 I196 L197 | F79-S193 WeakPolarHBondContact CE2-OG 3.27Å; F79-S193 VanDerWaalsContact CZ-OG 3.24Å; F79-S193 WeakPolarHBondContact CZ-OG 3.31Å; G189-S193 WeakPolarHBondContact O-CB 3.29Å; G189-S193 PolarHBondContact O-N 3.45Å; G189-S193 PolarHBondContact O-OG 2.93Å; L190-S193 PolarHBondContact O-N 3.46Å; L190-S193 PolarHBondContact O-OG 3.29Å; S193-I196 PolarHBondContact O-N 3.39Å; S193-L197 WeakPolarHBondContact O-CB 3.19Å; S193-L197 PolarHBondContact O-N 2.9Å |
| 194 | Y | 81.9 | Confident | 74.8 | Confident | 66 Ų | 66 | 81.3 Ų | 81.3 | 26% | 0.259 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 172.1 | -178.6 | -108.2 | 0 | 0 | 0 | 111.9 | N76 F79 W80 L190 L191 L192 I196 L197 V198 | N76-Y194 WeakPolarHBondContact OD1-CE2 3.48Å; F79-Y194 AromaticContact CD1-CD2 3.69Å; F79-Y194 HydrophobicContact CD1-CD2 3.69Å; F79-Y194 AromaticContact CE1-CD2 3.66Å; F79-Y194 HydrophobicContact CE1-CD2 3.66Å; F79-Y194 HydrophobicContact CE1-CG 4.07Å; F79-Y194 HydrophobicContact CZ-CD2 4.43Å; W80-Y194 AromaticContact NE1-CE2 3.71Å; L190-Y194 WeakPolarHBondContact O-CB 3.45Å; L190-Y194 PolarHBondContact O-N 3.18Å; L191-Y194 WeakPolarHBondContact O-CB 3.2Å; L191-Y194 PolarHBondContact O-N 3.48Å; L192-Y194 VanDerWaalsContact C-N 3.31Å; L192-Y194 PolarHBondContact O-N 3.04Å; Y194-I196 VanDerWaalsContact C-N 3.3Å; Y194-I196 PolarHBondContact O-N 2.85Å; Y194-L197 WeakPolarHBondContact O-CB 3.13Å; Y194-L197 PolarHBondContact O-N 2.91Å; Y194-V198 HydrophobicContact CD1-CG2 4.16Å; Y194-V198 HydrophobicContact CD2-CG2 4.34Å; Y194-V198 HydrophobicContact CE1-CG2 3.78Å; Y194-V198 HydrophobicContact CE2-CG2 4Å; Y194-V198 HydrophobicContact CG-CG2 4.42Å; Y194-V198 WeakPolarHBondContact O-CB 3.3Å; Y194-V198 VanDerWaalsContact O-CG2 3.29Å; Y194-V198 WeakPolarHBondContact O-CG2 3.29Å; Y194-V198 PolarHBondContact O-N 2.89Å |
| 195 | L | 76.8 | Confident | 74.2 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 176 | -73.2 | 172 | 0 | 0 | 0 | 111.7 | L191 L192 T199 | L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.26Å; L191-L195 PolarHBondContact O-N 3.37Å; L192-L195 PolarHBondContact O-N 3Å; L195-T199 WeakPolarHBondContact O-CB 3.13Å; L195-T199 WeakPolarHBondContact O-CG2 3.43Å; L195-T199 PolarHBondContact O-N 2.7Å; L195-T199 PolarHBondContact O-OG1 3.01Å |
| 196 | I | 78.1 | Confident | 73.3 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 173.4 | -67.3 | 166.9 | 0 | 0 | 0 | 110.5 | L192 S193 Y194 V198 T199 V200 | L192-I196 HydrophobicContact CG-CD1 4.43Å; L192-I196 WeakPolarHBondContact O-CG1 3.37Å; L192-I196 PolarHBondContact O-N 2.78Å; S193-I196 PolarHBondContact O-N 3.39Å; Y194-I196 VanDerWaalsContact C-N 3.3Å; Y194-I196 PolarHBondContact O-N 2.85Å; I196-V198 PolarHBondContact O-N 3.39Å; I196-T199 VanDerWaalsContact CA-OG1 3.3Å; I196-T199 WeakPolarHBondContact CA-OG1 3.12Å; I196-T199 PolarHBondContact O-N 3.35Å; I196-T199 PolarHBondContact O-OG1 3.33Å; I196-V200 HydrophobicContact CG2-CG2 4.43Å; I196-V200 WeakPolarHBondContact O-CB 3.16Å; I196-V200 VanDerWaalsContact O-CG2 3.29Å; I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.26Å |
| 197 | L | 79.9 | Confident | 72.7 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 177 | -178.9 | 71.2 | 0 | 0 | 0 | 111.8 | F79 S193 Y194 V200 M201 | F79-L197 HydrophobicContact CB-CD2 3.64Å; F79-L197 HydrophobicContact CD2-CD2 3.88Å; F79-L197 HydrophobicContact CG-CD2 3.77Å; S193-L197 WeakPolarHBondContact O-CB 3.19Å; S193-L197 PolarHBondContact O-N 2.9Å; Y194-L197 WeakPolarHBondContact O-CB 3.13Å; Y194-L197 PolarHBondContact O-N 2.91Å; L197-V200 PolarHBondContact O-N 2.8Å; L197-M201 PolarHBondContact O-N 2.82Å |
| 198 | V | 75.9 | Confident | 71.7 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 29% | 0.285 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 178.3 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | Y194 I196 V200 M201 M202 | Y194-V198 HydrophobicContact CD1-CG2 4.16Å; Y194-V198 HydrophobicContact CD2-CG2 4.34Å; Y194-V198 HydrophobicContact CE1-CG2 3.78Å; Y194-V198 HydrophobicContact CE2-CG2 4Å; Y194-V198 HydrophobicContact CG-CG2 4.42Å; Y194-V198 WeakPolarHBondContact O-CB 3.3Å; Y194-V198 VanDerWaalsContact O-CG2 3.29Å; Y194-V198 WeakPolarHBondContact O-CG2 3.29Å; Y194-V198 PolarHBondContact O-N 2.89Å; I196-V198 PolarHBondContact O-N 3.39Å; V198-V200 PolarHBondContact O-N 3.26Å; V198-M201 PolarHBondContact O-N 2.86Å; V198-M202 HydrophobicContact CG1-CG 3.95Å; V198-M202 WeakPolarHBondContact O-CB 3.07Å; V198-M202 WeakPolarHBondContact O-CG 3.3Å; V198-M202 PolarHBondContact O-N 2.93Å |
| 199 | T | 73.9 | Confident | 70.7 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 178.2 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | L195 I196 M202 W203 | L195-T199 WeakPolarHBondContact O-CB 3.13Å; L195-T199 WeakPolarHBondContact O-CG2 3.43Å; L195-T199 PolarHBondContact O-N 2.7Å; L195-T199 PolarHBondContact O-OG1 3.01Å; I196-T199 VanDerWaalsContact CA-OG1 3.3Å; I196-T199 WeakPolarHBondContact CA-OG1 3.12Å; I196-T199 PolarHBondContact O-N 3.35Å; I196-T199 PolarHBondContact O-OG1 3.33Å; T199-M202 PolarHBondContact O-N 3.47Å; T199-W203 VanDerWaalsContact O-CB 3.29Å; T199-W203 WeakPolarHBondContact O-CB 3.28Å; T199-W203 PolarHBondContact O-N 2.95Å |
| 200 | V | 76.6 | Confident | 70.2 | Confident | 92 Ų | 92 | 75.8 Ų | 75.8 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | I196 L197 V198 P204 | I196-V200 HydrophobicContact CG2-CG2 4.43Å; I196-V200 WeakPolarHBondContact O-CB 3.16Å; I196-V200 VanDerWaalsContact O-CG2 3.29Å; I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.26Å; L197-V200 PolarHBondContact O-N 2.8Å; V198-V200 PolarHBondContact O-N 3.26Å; V200-P204 WeakPolarHBondContact O-CD 3.34Å |
| 201 | M | 69.8 | Low | 69.4 | Low | 19 Ų | 19 | 75.8 Ų | 75.8 | 9% | 0.094 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 174.2 | -86.4 | -147.1 | 70.7 | 0 | 0 | 113.2 | C72 L75 L197 V198 P204 | C72-M201 HydrophobicContact CB-CE 3.48Å; C72-M201 VanDerWaalsContact CB-CE 3.48Å; C72-M201 HydrophobicContact CB-SD 3.96Å; C72-M201 VanDerWaalsContact SG-CE 3.54Å; C72-M201 PolarHBondContact SG-SD 2.74Å; L75-M201 HydrophobicContact CB-SD 4.43Å; L75-M201 HydrophobicContact CD1-CE 4.47Å; L75-M201 HydrophobicContact CD1-CG 4.49Å; L75-M201 HydrophobicContact CD1-SD 3.84Å; L197-M201 PolarHBondContact O-N 2.82Å; V198-M201 PolarHBondContact O-N 2.86Å; M201-P204 WeakPolarHBondContact O-CD 3.17Å; M201-P204 WeakPolarHBondContact O-CG 3.32Å |
| 202 | M | 65.9 | Low | 68.6 | Low | 92 Ų | 92 | 79.9 Ų | 79.9 | 45% | 0.453 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -81.5 | -22.5 | -177.3 | -70.5 | -65.1 | -66 | 0 | 0 | 112.7 | V198 T199 L205 A206 | V198-M202 HydrophobicContact CG1-CG 3.95Å; V198-M202 WeakPolarHBondContact O-CB 3.07Å; V198-M202 WeakPolarHBondContact O-CG 3.3Å; V198-M202 PolarHBondContact O-N 2.93Å; T199-M202 PolarHBondContact O-N 3.47Å; M202-L205 HydrophobicContact CE-CD2 4.22Å; M202-L205 CarbonylContact O-C 3.6Å; M202-L205 WeakPolarHBondContact O-CB 3.26Å; M202-L205 PolarHBondContact O-N 2.9Å; M202-L205 HydrophobicContact SD-CD2 3.87Å; M202-A206 VanDerWaalsContact O-CB 3.32Å; M202-A206 WeakPolarHBondContact O-CB 3.4Å; M202-A206 PolarHBondContact O-N 3.18Å |
| 203 | W | 66.4 | Low | 68 | Low | 181 Ų | 181 | 81.3 Ų | 81.3 | 69% | 0.686 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -53.7 | -57.2 | 178.4 | -179.4 | -84.7 | 0 | 0 | 0 | 114 | T199 L205 A206 V207 | T199-W203 VanDerWaalsContact O-CB 3.29Å; T199-W203 WeakPolarHBondContact O-CB 3.28Å; T199-W203 PolarHBondContact O-N 2.95Å; W203-L205 PolarHBondContact O-N 3.47Å; W203-A206 PolarHBondContact O-N 3.36Å; W203-V207 VanDerWaalsContact O-CG2 3.29Å; W203-V207 WeakPolarHBondContact O-CG2 2.86Å; W203-V207 PolarHBondContact O-N 3.41Å; W203-V207 VanDerWaalsContact O-N 3.11Å |
| 204 | P | 62.4 | Low | 67.4 | Low | 25 Ų | 25 | 87.8 Ų | 87.8 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.4 | -31.3 | 177 | 26.8 | -35.8 | 0 | 0 | 0 | 111.8 | L60 V200 M201 Y208 | L60-P204 HydrophobicContact CB-CB 4.16Å; L60-P204 HydrophobicContact CB-CG 3.91Å; L60-P204 HydrophobicContact CD2-CB 4.23Å; L60-P204 HydrophobicContact CD2-CG 3.67Å; L60-P204 HydrophobicContact CG-CB 4.36Å; L60-P204 HydrophobicContact CG-CG 3.64Å; V200-P204 WeakPolarHBondContact O-CD 3.34Å; M201-P204 WeakPolarHBondContact O-CD 3.17Å; M201-P204 WeakPolarHBondContact O-CG 3.32Å; P204-Y208 VanDerWaalsContact O-CB 3.22Å; P204-Y208 WeakPolarHBondContact O-CB 3.32Å; P204-Y208 PolarHBondContact O-N 2.95Å |
| 205 | L | 59.1 | Low | 66.6 | Low | 17 Ų | 17 | 87.1 Ų | 87.1 | 9% | 0.089 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 177 | -152.6 | 64.7 | 0 | 0 | 0 | 111.9 | W62 M202 W203 H209 | W62-L205 HydrophobicContact CB-CD1 3.87Å; W62-L205 HydrophobicContact CD2-CD1 3.66Å; W62-L205 HydrophobicContact CD2-CD2 4.46Å; W62-L205 HydrophobicContact CG-CD1 3.34Å; W62-L205 HydrophobicContact CZ2-CD2 4.15Å; M202-L205 HydrophobicContact CE-CD2 4.22Å; M202-L205 CarbonylContact O-C 3.6Å; M202-L205 WeakPolarHBondContact O-CB 3.26Å; M202-L205 PolarHBondContact O-N 2.9Å; M202-L205 HydrophobicContact SD-CD2 3.87Å; W203-L205 PolarHBondContact O-N 3.47Å; L205-H209 WeakPolarHBondContact O-CB 3.44Å; L205-H209 PolarHBondContact O-N 2.72Å |
| 206 | A | 61 | Low | 66.2 | Low | 17 Ų | 17 | 89.7 Ų | 89.7 | 14% | 0.14 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M202 W203 L211 | M202-A206 VanDerWaalsContact O-CB 3.32Å; M202-A206 WeakPolarHBondContact O-CB 3.4Å; M202-A206 PolarHBondContact O-N 3.18Å; W203-A206 PolarHBondContact O-N 3.36Å; A206-L211 PolarHBondContact O-N 2.95Å |
| 207 | V | 62.8 | Low | 65.9 | Low | 92 Ų | 92 | 89.9 Ų | 89.9 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.9 | -46.5 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | W203 R210 | W203-V207 VanDerWaalsContact O-CG2 3.29Å; W203-V207 WeakPolarHBondContact O-CG2 2.86Å; W203-V207 PolarHBondContact O-N 3.41Å; W203-V207 VanDerWaalsContact O-N 3.11Å; V207-R210 PolarHBondContact O-N 3.36Å |
| 208 | Y | 56.3 | Low | 65.5 | Low | 81 Ų | 81 | 97.1 Ų | 97.1 | 32% | 0.318 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.3 | -44.4 | -175.7 | -171.6 | -101 | 0 | 0 | 0 | 113.3 | V61 P204 R210 | V61-Y208 HydrophobicContact CG1-CD2 3.9Å; V61-Y208 HydrophobicContact CG1-CE1 4.31Å; V61-Y208 HydrophobicContact CG1-CE2 3.66Å; V61-Y208 HydrophobicContact CG1-CG 4.32Å; P204-Y208 VanDerWaalsContact O-CB 3.22Å; P204-Y208 WeakPolarHBondContact O-CB 3.32Å; P204-Y208 PolarHBondContact O-N 2.95Å; Y208-R210 PolarHBondContact O-N 3.42Å |
| 209 | H | 60 | Low | 65.4 | Low | 113 Ų | 113 | 99.3 Ų | 99.3 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 6.5 | -179.3 | -88.6 | -76.5 | 0 | 0 | 0 | 114.2 | L205 L211 | L205-H209 WeakPolarHBondContact O-CB 3.44Å; L205-H209 PolarHBondContact O-N 2.72Å; H209-L211 HydrophobicContact CB-CD1 3.86Å; H209-L211 HydrophobicContact CB-CD2 4.23Å; H209-L211 HydrophobicContact CB-CG 3.58Å; H209-L211 PolarHBondContact O-N 3.35Å |
| 210 | R | 61.5 | Low | 65.7 | Low | 180 Ų | 180 | 100.4 Ų | 100.4 | 68% | 0.679 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 33.3 | -170.4 | -67.6 | -172.7 | 167.6 | -142.7 | 6.2 | 112.1 | V207 Y208 W212 D213 R214 | V207-R210 PolarHBondContact O-N 3.36Å; Y208-R210 PolarHBondContact O-N 3.42Å; R210-W212 PolarHBondContact O-N 3.08Å; R210-D213 HydrophobicContact CB-CB 4.35Å; R210-D213 WeakPolarHBondContact CD-OD2 3.15Å; R210-D213 IonicContact NH1-OD2 3.19Å; R210-D213 PolarHBondContact NH1-OD2 2.96Å; R210-D213 WeakPolarHBondContact O-CB 3.48Å; R210-D213 PolarHBondContact O-N 2.94Å; R210-R214 PolarHBondContact O-N 2.8Å |
| 211 | L | 57.9 | Low | 65.9 | Low | 72 Ų | 72 | 99.1 Ų | 99.1 | 38% | 0.377 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.2 | -27.5 | 179.3 | -68.4 | 167.1 | 0 | 0 | 0 | 109.7 | A206 H209 R214 A215 | A206-L211 PolarHBondContact O-N 2.95Å; H209-L211 HydrophobicContact CB-CD1 3.86Å; H209-L211 HydrophobicContact CB-CD2 4.23Å; H209-L211 HydrophobicContact CB-CG 3.58Å; H209-L211 PolarHBondContact O-N 3.35Å; L211-R214 PolarHBondContact O-N 2.93Å; L211-A215 WeakPolarHBondContact O-CA 3.43Å; L211-A215 WeakPolarHBondContact O-CB 3.23Å; L211-A215 PolarHBondContact O-N 3.29Å |
| 212 | W | 57.6 | Low | 66.2 | Low | 164 Ų | 164 | 100.3 Ų | 100.3 | 62% | 0.621 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.8 | -42.8 | 169.4 | -91.2 | 112.5 | 0 | 0 | 0 | 112.9 | R210 Y216 | R210-W212 PolarHBondContact O-N 3.08Å; W212-Y216 WeakPolarHBondContact O-CA 3.5Å; W212-Y216 WeakPolarHBondContact O-CB 3.45Å; W212-Y216 PolarHBondContact O-N 3.44Å |
| 213 | D | 64.8 | Low | 66.7 | Low | 86 Ų | 86 | 100 Ų | 100 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 176 | -69.7 | -25.4 | 0 | 0 | 0 | 110.6 | R210 V217 | R210-D213 HydrophobicContact CB-CB 4.35Å; R210-D213 WeakPolarHBondContact CD-OD2 3.15Å; R210-D213 IonicContact NH1-OD2 3.19Å; R210-D213 PolarHBondContact NH1-OD2 2.96Å; R210-D213 WeakPolarHBondContact O-CB 3.48Å; R210-D213 PolarHBondContact O-N 2.94Å; D213-V217 VanDerWaalsContact O-CB 3.28Å; D213-V217 WeakPolarHBondContact O-CB 3.39Å; D213-V217 WeakPolarHBondContact O-CG2 3.02Å; D213-V217 PolarHBondContact O-N 2.8Å |
| 214 | R | 66.7 | Low | 67.4 | Low | 186 Ų | 186 | 96 Ų | 96 | 70% | 0.702 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -71.7 | -37.9 | -178 | -154.2 | 171.2 | -164.4 | 172 | 3.2 | 112.9 | R210 L211 R218 | R210-R214 PolarHBondContact O-N 2.8Å; L211-R214 PolarHBondContact O-N 2.93Å; R214-R218 WeakPolarHBondContact O-CB 3.21Å; R214-R218 PolarHBondContact O-N 3.5Å; R214-R218 VanDerWaalsContact O-N 3.07Å |
| 215 | A | 64.6 | Low | 68.3 | Low | 51 Ų | 51 | 104.5 Ų | 104.5 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.9 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L211 V217 R218 L219 | L211-A215 WeakPolarHBondContact O-CA 3.43Å; L211-A215 WeakPolarHBondContact O-CB 3.23Å; L211-A215 PolarHBondContact O-N 3.29Å; A215-V217 VanDerWaalsContact C-N 3.34Å; A215-V217 PolarHBondContact O-N 3.18Å; A215-R218 CarbonylContact O-C 3.57Å; A215-R218 PolarHBondContact O-N 3.26Å; A215-R218 VanDerWaalsContact O-N 3.17Å; A215-L219 WeakPolarHBondContact O-CB 3.29Å; A215-L219 PolarHBondContact O-N 3.14Å |
| 216 | Y | 68.7 | Low | 69.3 | Low | 137 Ų | 137 | 108.6 Ų | 108.6 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 175.8 | -173.2 | -103.1 | 0 | 0 | 0 | 111.3 | W212 R218 L219 K220 | W212-Y216 WeakPolarHBondContact O-CA 3.5Å; W212-Y216 WeakPolarHBondContact O-CB 3.45Å; W212-Y216 PolarHBondContact O-N 3.44Å; Y216-R218 PolarHBondContact O-N 3.14Å; Y216-L219 PolarHBondContact O-N 3.25Å; Y216-K220 VanDerWaalsContact O-CB 3.22Å; Y216-K220 WeakPolarHBondContact O-CB 3.32Å; Y216-K220 PolarHBondContact O-N 3.44Å |
| 217 | V | 71.6 | Confident | 70.4 | Confident | 101 Ų | 101 | 113.1 Ų | 113.1 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.1 | -37.3 | 173.9 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | D213 A215 P221 | D213-V217 VanDerWaalsContact O-CB 3.28Å; D213-V217 WeakPolarHBondContact O-CB 3.39Å; D213-V217 WeakPolarHBondContact O-CG2 3.02Å; D213-V217 PolarHBondContact O-N 2.8Å; A215-V217 VanDerWaalsContact C-N 3.34Å; A215-V217 PolarHBondContact O-N 3.18Å; V217-P221 WeakPolarHBondContact O-CD 3.47Å |
| 218 | R | 71.6 | Confident | 70.9 | Confident | 201 Ų | 201 | 116.1 Ų | 116.1 | 76% | 0.758 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.7 | -30.3 | 173.7 | -85.1 | -168.4 | 171.5 | 174.1 | -2.3 | 114 | R214 A215 Y216 P221 | R214-R218 WeakPolarHBondContact O-CB 3.21Å; R214-R218 PolarHBondContact O-N 3.5Å; R214-R218 VanDerWaalsContact O-N 3.07Å; A215-R218 CarbonylContact O-C 3.57Å; A215-R218 PolarHBondContact O-N 3.26Å; A215-R218 VanDerWaalsContact O-N 3.17Å; Y216-R218 PolarHBondContact O-N 3.14Å; R218-P221 VanDerWaalsContact O-CD 3.29Å; R218-P221 WeakPolarHBondContact O-CD 3.48Å; R218-P221 VanDerWaalsContact O-CG 3.23Å; R218-P221 WeakPolarHBondContact O-CG 3.35Å |
| 219 | L | 74.1 | Confident | 72.1 | Confident | 93 Ų | 93 | 115.9 Ų | 115.9 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -84.5 | -27.9 | -178.2 | -157.1 | 80.1 | 0 | 0 | 0 | 111 | A215 Y216 A222 L223 | A215-L219 WeakPolarHBondContact O-CB 3.29Å; A215-L219 PolarHBondContact O-N 3.14Å; Y216-L219 PolarHBondContact O-N 3.25Å; L219-A222 CarbonylContact O-C 3.56Å; L219-A222 WeakPolarHBondContact O-CA 3.31Å; L219-A222 WeakPolarHBondContact O-CB 3.22Å; L219-A222 PolarHBondContact O-N 3.47Å; L219-L223 HydrophobicContact CD2-CD1 3.86Å; L219-L223 HydrophobicContact CD2-CG 4.25Å; L219-L223 HydrophobicContact CG-CD1 4.14Å; L219-L223 HydrophobicContact CG-CG 4.18Å; L219-L223 WeakPolarHBondContact O-CB 3.29Å; L219-L223 PolarHBondContact O-N 3.11Å |
| 220 | K | 80.9 | Confident | 73.3 | Confident | 109 Ų | 109 | 114.1 Ų | 114.1 | 47% | 0.474 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -49.7 | -49 | 175.3 | -173.3 | 172.4 | -175.7 | 174.9 | 0 | 113.5 | Y216 A222 L223 Q224 | Y216-K220 VanDerWaalsContact O-CB 3.22Å; Y216-K220 WeakPolarHBondContact O-CB 3.32Å; Y216-K220 PolarHBondContact O-N 3.44Å; K220-A222 VanDerWaalsContact C-N 3.33Å; K220-A222 PolarHBondContact O-N 2.78Å; K220-L223 PolarHBondContact O-N 2.86Å; K220-Q224 WeakPolarHBondContact O-CB 3.48Å; K220-Q224 VanDerWaalsContact O-CG 3.24Å; K220-Q224 WeakPolarHBondContact O-CG 3.1Å; K220-Q224 PolarHBondContact O-N 2.87Å |
| 221 | P | 79.3 | Confident | 74.3 | Confident | 65 Ų | 65 | 113.7 Ų | 113.7 | 42% | 0.422 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.3 | -31.7 | 176.1 | 25.7 | -35.1 | 0 | 0 | 0 | 113 | V217 R218 R225 | V217-P221 WeakPolarHBondContact O-CD 3.47Å; R218-P221 VanDerWaalsContact O-CD 3.29Å; R218-P221 WeakPolarHBondContact O-CD 3.48Å; R218-P221 VanDerWaalsContact O-CG 3.23Å; R218-P221 WeakPolarHBondContact O-CG 3.35Å; P221-R225 WeakPolarHBondContact O-CG 3.01Å; P221-R225 PolarHBondContact O-N 3.11Å |
| 222 | A | 76.3 | Confident | 75.4 | Confident | 44 Ų | 44 | 112.2 Ų | 112.2 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L219 K220 Q224 R225 L226 | L219-A222 CarbonylContact O-C 3.56Å; L219-A222 WeakPolarHBondContact O-CA 3.31Å; L219-A222 WeakPolarHBondContact O-CB 3.22Å; L219-A222 PolarHBondContact O-N 3.47Å; K220-A222 VanDerWaalsContact C-N 3.33Å; K220-A222 PolarHBondContact O-N 2.78Å; A222-Q224 VanDerWaalsContact C-N 3.33Å; A222-R225 PolarHBondContact O-N 3.15Å; A222-L226 WeakPolarHBondContact O-CG 3.43Å; A222-L226 PolarHBondContact O-N 2.82Å |
| 223 | L | 76.8 | Confident | 76.6 | Confident | 85 Ų | 85 | 111 Ų | 111 | 45% | 0.445 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 173.4 | -78.8 | 170.2 | 0 | 0 | 0 | 111.2 | L219 K220 L226 D227 | L219-L223 HydrophobicContact CD2-CD1 3.86Å; L219-L223 HydrophobicContact CD2-CG 4.25Å; L219-L223 HydrophobicContact CG-CD1 4.14Å; L219-L223 HydrophobicContact CG-CG 4.18Å; L219-L223 WeakPolarHBondContact O-CB 3.29Å; L219-L223 PolarHBondContact O-N 3.11Å; K220-L223 PolarHBondContact O-N 2.86Å; L223-L226 PolarHBondContact O-N 3.29Å; L223-D227 WeakPolarHBondContact O-CB 3.32Å; L223-D227 PolarHBondContact O-N 3.08Å |
| 224 | Q | 82.3 | Confident | 77.5 | Confident | 98 Ų | 98 | 112.6 Ų | 112.6 | 46% | 0.458 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 173.4 | -75.8 | 174.5 | -20.3 | 0 | 0 | 111.3 | K220 A222 L226 D227 F228 | K220-Q224 WeakPolarHBondContact O-CB 3.48Å; K220-Q224 VanDerWaalsContact O-CG 3.24Å; K220-Q224 WeakPolarHBondContact O-CG 3.1Å; K220-Q224 PolarHBondContact O-N 2.87Å; A222-Q224 VanDerWaalsContact C-N 3.33Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 2.8Å; Q224-D227 PolarHBondContact O-N 3.34Å; Q224-F228 HydrophobicContact CB-CE2 4.43Å; Q224-F228 WeakPolarHBondContact O-CD2 3.47Å; Q224-F228 PolarHBondContact O-N 3.21Å |
| 225 | R | 79.8 | Confident | 78.2 | Confident | 202 Ų | 202 | 109.2 Ų | 109.2 | 76% | 0.762 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.5 | -39.1 | 174.5 | -77.3 | -175 | -179.3 | -147.7 | 1.3 | 112.6 | P221 A222 S229 | P221-R225 WeakPolarHBondContact O-CG 3.01Å; P221-R225 PolarHBondContact O-N 3.11Å; A222-R225 PolarHBondContact O-N 3.15Å; R225-S229 WeakPolarHBondContact O-CB 3.49Å; R225-S229 PolarHBondContact O-N 2.96Å |
| 226 | L | 81.2 | Confident | 78.9 | Confident | 103 Ų | 103 | 109.9 Ų | 109.9 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 175.2 | -75.2 | 167.1 | 0 | 0 | 0 | 111.7 | A222 L223 Q224 F228 S229 V230 | A222-L226 WeakPolarHBondContact O-CG 3.43Å; A222-L226 PolarHBondContact O-N 2.82Å; L223-L226 PolarHBondContact O-N 3.29Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 2.8Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-F228 PolarHBondContact O-N 2.9Å; L226-S229 PolarHBondContact O-N 3.17Å; L226-V230 VanDerWaalsContact O-CB 3.3Å; L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 WeakPolarHBondContact O-CG2 3.48Å; L226-V230 PolarHBondContact O-N 2.79Å |
| 227 | D | 83.1 | Confident | 79.6 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.1 | -40 | 178.1 | -156.7 | 26.8 | 0 | 0 | 0 | 110.7 | L223 Q224 R231 | L223-D227 WeakPolarHBondContact O-CB 3.32Å; L223-D227 PolarHBondContact O-N 3.08Å; Q224-D227 PolarHBondContact O-N 3.34Å; D227-R231 WeakPolarHBondContact O-CB 2.92Å; D227-R231 PolarHBondContact O-N 3.33Å |
| 228 | F | 74.6 | Confident | 80.2 | Confident | 155 Ų | 155 | 106.9 Ų | 106.9 | 68% | 0.68 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.6 | -39.9 | 170.8 | -75.2 | -64.3 | 0 | 0 | 0 | 112.8 | Q224 L226 G232 | Q224-F228 HydrophobicContact CB-CE2 4.43Å; Q224-F228 WeakPolarHBondContact O-CD2 3.47Å; Q224-F228 PolarHBondContact O-N 3.21Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-F228 PolarHBondContact O-N 2.9Å; F228-G232 PolarHBondContact O-N 2.77Å |
| 229 | S | 79.9 | Confident | 80.7 | Confident | 76 Ų | 76 | 105.6 Ų | 105.6 | 53% | 0.531 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 178.3 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | R225 L226 G232 Y233 | R225-S229 WeakPolarHBondContact O-CB 3.49Å; R225-S229 PolarHBondContact O-N 2.96Å; L226-S229 PolarHBondContact O-N 3.17Å; S229-G232 PolarHBondContact O-N 3.11Å; S229-Y233 VanDerWaalsContact O-CB 3.25Å; S229-Y233 WeakPolarHBondContact O-CB 3.47Å; S229-Y233 PolarHBondContact O-N 3.28Å |
| 230 | V | 85.5 | Confident | 81.3 | Confident | 75 Ų | 75 | 105 Ų | 105 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | L226 Y233 M234 | L226-V230 VanDerWaalsContact O-CB 3.3Å; L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 WeakPolarHBondContact O-CG2 3.48Å; L226-V230 PolarHBondContact O-N 2.79Å; V230-Y233 PolarHBondContact O-N 3.21Å; V230-M234 HydrophobicContact CG1-SD 4.37Å; V230-M234 WeakPolarHBondContact O-CB 3.22Å; V230-M234 WeakPolarHBondContact O-CG 3.4Å; V230-M234 PolarHBondContact O-N 3.21Å |
| 231 | R | 82.3 | Confident | 81.3 | Confident | 172 Ų | 172 | 106.7 Ų | 106.7 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -39 | 174.8 | -166.9 | 169.6 | -175.8 | 173.8 | -0.3 | 111.6 | D227 M234 M235 | D227-R231 WeakPolarHBondContact O-CB 2.92Å; D227-R231 PolarHBondContact O-N 3.33Å; R231-M234 PolarHBondContact O-N 3.02Å; R231-M235 WeakPolarHBondContact O-CB 3.11Å; R231-M235 WeakPolarHBondContact O-CG 3.12Å; R231-M235 PolarHBondContact O-N 3.49Å |
| 232 | G | 82.6 | Confident | 81.4 | Confident | 40 Ų | 40 | 108.5 Ų | 108.5 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F228 S229 M235 S236 | F228-G232 PolarHBondContact O-N 2.77Å; S229-G232 PolarHBondContact O-N 3.11Å; G232-M235 PolarHBondContact O-N 3.3Å; G232-S236 WeakPolarHBondContact O-CB 3.44Å; G232-S236 PolarHBondContact O-N 3.24Å; G232-S236 PolarHBondContact O-OG 3.38Å |
| 233 | Y | 82.7 | Confident | 81.7 | Confident | 140 Ų | 140 | 111.2 Ų | 111.2 | 55% | 0.549 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 174.5 | -179.8 | -98.5 | 0 | 0 | 0 | 111.8 | S229 V230 S236 K237 | S229-Y233 VanDerWaalsContact O-CB 3.25Å; S229-Y233 WeakPolarHBondContact O-CB 3.47Å; S229-Y233 PolarHBondContact O-N 3.28Å; V230-Y233 PolarHBondContact O-N 3.21Å; Y233-S236 WeakPolarHBondContact CA-OG 3.35Å; Y233-S236 PolarHBondContact O-OG 3.09Å; Y233-K237 HydrophobicContact CE1-CG 4.24Å; Y233-K237 WeakPolarHBondContact O-CB 3.25Å; Y233-K237 PolarHBondContact O-N 3.4Å; Y233-K237 WeakPolarHBondContact OH-CE 3.2Å |
| 234 | M | 83.9 | Confident | 81.7 | Confident | 118 Ų | 118 | 114.8 Ų | 114.8 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 175.6 | -82.3 | -176.6 | 55 | 0 | 0 | 112 | V230 R231 K237 Q238 | V230-M234 HydrophobicContact CG1-SD 4.37Å; V230-M234 WeakPolarHBondContact O-CB 3.22Å; V230-M234 WeakPolarHBondContact O-CG 3.4Å; V230-M234 PolarHBondContact O-N 3.21Å; R231-M234 PolarHBondContact O-N 3.02Å; M234-K237 PolarHBondContact O-N 2.98Å; M234-Q238 WeakPolarHBondContact O-CB 3.44Å; M234-Q238 PolarHBondContact O-N 2.79Å |
| 235 | M | 79.6 | Confident | 81.3 | Confident | 116 Ų | 116 | 117.9 Ų | 117.9 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.5 | -37.9 | 179.2 | -69.5 | -66 | -90.8 | 0 | 0 | 111.7 | R231 G232 Q238 R239 | R231-M235 WeakPolarHBondContact O-CB 3.11Å; R231-M235 WeakPolarHBondContact O-CG 3.12Å; R231-M235 PolarHBondContact O-N 3.49Å; G232-M235 PolarHBondContact O-N 3.3Å; M235-Q238 PolarHBondContact O-N 3Å; M235-R239 WeakPolarHBondContact O-CB 3.28Å; M235-R239 PolarHBondContact O-N 2.77Å |
| 236 | S | 80.1 | Confident | 80.9 | Confident | 64 Ų | 64 | 117 Ų | 117 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 173.6 | 55.7 | 0 | 0 | 0 | 0 | 112 | G232 Y233 Q238 R239 E240 | G232-S236 WeakPolarHBondContact O-CB 3.44Å; G232-S236 PolarHBondContact O-N 3.24Å; G232-S236 PolarHBondContact O-OG 3.38Å; Y233-S236 WeakPolarHBondContact CA-OG 3.35Å; Y233-S236 PolarHBondContact O-OG 3.09Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 PolarHBondContact O-N 3.33Å; S236-R239 PolarHBondContact O-N 2.71Å; S236-E240 WeakPolarHBondContact O-CB 3.47Å; S236-E240 PolarHBondContact O-N 2.99Å |
| 237 | K | 84.2 | Confident | 80.5 | Confident | 81 Ų | 81 | 115.6 Ų | 115.6 | 35% | 0.352 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 171.8 | -96 | -119.9 | 174 | 176.4 | 0 | 112.8 | Y233 M234 R241 | Y233-K237 HydrophobicContact CE1-CG 4.24Å; Y233-K237 WeakPolarHBondContact O-CB 3.25Å; Y233-K237 PolarHBondContact O-N 3.4Å; Y233-K237 WeakPolarHBondContact OH-CE 3.2Å; M234-K237 PolarHBondContact O-N 2.98Å; K237-R241 WeakPolarHBondContact O-CB 3.45Å; K237-R241 WeakPolarHBondContact O-CD 3.41Å; K237-R241 WeakPolarHBondContact O-CG 3.18Å; K237-R241 PolarHBondContact O-N 3.17Å |
| 238 | Q | 83.4 | Confident | 79.8 | Confident | 94 Ų | 94 | 117 Ų | 117 | 44% | 0.439 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 176.7 | -178.9 | 173 | -26 | 0 | 0 | 111.1 | M234 M235 S236 R241 Q242 | M234-Q238 WeakPolarHBondContact O-CB 3.44Å; M234-Q238 PolarHBondContact O-N 2.79Å; M235-Q238 PolarHBondContact O-N 3Å; S236-Q238 VanDerWaalsContact C-N 3.29Å; S236-Q238 PolarHBondContact O-N 3.33Å; Q238-R241 PolarHBondContact O-N 3.07Å; Q238-Q242 WeakPolarHBondContact O-CG 3.45Å; Q238-Q242 PolarHBondContact O-N 3.46Å |
| 239 | R | 82.7 | Confident | 79 | Confident | 175 Ų | 175 | 114.9 Ų | 114.9 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 175.1 | -172.1 | 177.7 | -176.7 | 178.9 | 1 | 111.4 | M235 S236 R241 Q242 L243 | M235-R239 WeakPolarHBondContact O-CB 3.28Å; M235-R239 PolarHBondContact O-N 2.77Å; S236-R239 PolarHBondContact O-N 2.71Å; R239-R241 PolarHBondContact O-N 2.73Å; R239-Q242 WeakPolarHBondContact O-CB 3.35Å; R239-Q242 PolarHBondContact O-N 3.18Å; R239-L243 HydrophobicContact CG-CD1 4.19Å; R239-L243 WeakPolarHBondContact O-CB 3.22Å; R239-L243 WeakPolarHBondContact O-CG 3.3Å; R239-L243 PolarHBondContact O-N 2.86Å |
| 240 | E | 85.5 | Confident | 78 | Confident | 80 Ų | 80 | 115.5 Ų | 115.5 | 37% | 0.374 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.2 | -168.5 | -167 | 168.3 | 0 | 0 | 111.4 | S236 Q242 L243 R244 | S236-E240 WeakPolarHBondContact O-CB 3.47Å; S236-E240 PolarHBondContact O-N 2.99Å; E240-Q242 VanDerWaalsContact C-N 3.33Å; E240-Q242 PolarHBondContact O-N 3.33Å; E240-L243 PolarHBondContact O-N 2.7Å; E240-R244 WeakPolarHBondContact O-CB 3.08Å; E240-R244 WeakPolarHBondContact O-CG 3.41Å; E240-R244 PolarHBondContact O-N 3.38Å; E240-R244 IonicContact OE1-CZ 3.53Å; E240-R244 VanDerWaalsContact OE1-CZ 3.28Å; E240-R244 IonicContact OE1-NE 2.73Å; E240-R244 PolarHBondContact OE1-NE 3.49Å; E240-R244 IonicContact OE1-NH2 3.95Å; E240-R244 PolarHBondContact OE1-NH2 2.93Å |
| 241 | R | 82 | Confident | 76.5 | Confident | 144 Ų | 144 | 119.9 Ų | 119.9 | 54% | 0.543 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.7 | -37 | 174.5 | -73.4 | 168.2 | 179.1 | -177.1 | -0.8 | 112.6 | K237 Q238 R239 R245 | K237-R241 WeakPolarHBondContact O-CB 3.45Å; K237-R241 WeakPolarHBondContact O-CD 3.41Å; K237-R241 WeakPolarHBondContact O-CG 3.18Å; K237-R241 PolarHBondContact O-N 3.17Å; Q238-R241 PolarHBondContact O-N 3.07Å; R239-R241 PolarHBondContact O-N 2.73Å; R241-R245 WeakPolarHBondContact O-CB 3.32Å; R241-R245 WeakPolarHBondContact O-CG 3.29Å; R241-R245 PolarHBondContact O-N 2.76Å |
| 242 | Q | 80.6 | Confident | 75 | Confident | 104 Ų | 104 | 120.6 Ų | 120.6 | 49% | 0.486 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.3 | -43.2 | 175 | -76.1 | 179.4 | -7.6 | 0 | 0 | 111.4 | Q238 R239 E240 R245 R246 | Q238-Q242 WeakPolarHBondContact O-CG 3.45Å; Q238-Q242 PolarHBondContact O-N 3.46Å; R239-Q242 WeakPolarHBondContact O-CB 3.35Å; R239-Q242 PolarHBondContact O-N 3.18Å; E240-Q242 VanDerWaalsContact C-N 3.33Å; E240-Q242 PolarHBondContact O-N 3.33Å; Q242-R245 PolarHBondContact O-N 3.36Å; Q242-R246 WeakPolarHBondContact O-CB 3.11Å; Q242-R246 PolarHBondContact O-N 2.89Å |
| 243 | L | 83.8 | Confident | 73.5 | Confident | 100 Ų | 100 | 120.9 Ų | 120.9 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.8 | -44.8 | 176.1 | -71.7 | 170.1 | 0 | 0 | 0 | 111.6 | R239 E240 R245 R246 A247 | R239-L243 HydrophobicContact CG-CD1 4.19Å; R239-L243 WeakPolarHBondContact O-CB 3.22Å; R239-L243 WeakPolarHBondContact O-CG 3.3Å; R239-L243 PolarHBondContact O-N 2.86Å; E240-L243 PolarHBondContact O-N 2.7Å; L243-R245 VanDerWaalsContact C-N 3.32Å; L243-R245 PolarHBondContact O-N 3.43Å; L243-R246 PolarHBondContact O-N 3.33Å; L243-R246 VanDerWaalsContact O-N 3.13Å; L243-A247 WeakPolarHBondContact O-CB 3.23Å; L243-A247 PolarHBondContact O-N 2.76Å |
| 244 | R | 76.9 | Confident | 71.9 | Confident | 160 Ų | 160 | 122.1 Ų | 122.1 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.3 | -40.7 | 173.3 | -72.7 | -174.6 | -171 | -152.3 | 2.6 | 111.8 | E240 R246 A247 L248 | E240-R244 WeakPolarHBondContact O-CB 3.08Å; E240-R244 WeakPolarHBondContact O-CG 3.41Å; E240-R244 PolarHBondContact O-N 3.38Å; E240-R244 IonicContact OE1-CZ 3.53Å; E240-R244 VanDerWaalsContact OE1-CZ 3.28Å; E240-R244 IonicContact OE1-NE 2.73Å; E240-R244 PolarHBondContact OE1-NE 3.49Å; E240-R244 IonicContact OE1-NH2 3.95Å; E240-R244 PolarHBondContact OE1-NH2 2.93Å; R244-R246 VanDerWaalsContact C-N 3.34Å; R244-A247 PolarHBondContact O-N 2.91Å; R244-L248 WeakPolarHBondContact O-CB 2.98Å; R244-L248 WeakPolarHBondContact O-CD1 3.38Å; R244-L248 VanDerWaalsContact O-CG 3.26Å; R244-L248 WeakPolarHBondContact O-CG 3.24Å; R244-L248 PolarHBondContact O-N 3.5Å |
| 245 | R | 73.4 | Confident | 70.1 | Confident | 163 Ų | 163 | 122.8 Ų | 122.8 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.9 | -35.6 | 174 | -84.5 | -166.3 | -79.9 | -109.7 | 5.2 | 113.1 | R241 Q242 L243 H249 | R241-R245 WeakPolarHBondContact O-CB 3.32Å; R241-R245 WeakPolarHBondContact O-CG 3.29Å; R241-R245 PolarHBondContact O-N 2.76Å; Q242-R245 PolarHBondContact O-N 3.36Å; L243-R245 VanDerWaalsContact C-N 3.32Å; L243-R245 PolarHBondContact O-N 3.43Å; R245-H249 PolarHBondContact O-N 2.77Å |
| 246 | R | 72.1 | Confident | 68.7 | Low | 183 Ų | 183 | 123.8 Ų | 123.8 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.4 | -37.7 | 176.9 | -146.1 | 168.4 | -164.9 | 133.7 | 0.8 | 111.7 | Q242 L243 R244 H249 | Q242-R246 WeakPolarHBondContact O-CB 3.11Å; Q242-R246 PolarHBondContact O-N 2.89Å; L243-R246 PolarHBondContact O-N 3.33Å; L243-R246 VanDerWaalsContact O-N 3.13Å; R244-R246 VanDerWaalsContact C-N 3.34Å; R246-H249 CarbonylContact O-C 3.43Å; R246-H249 PolarHBondContact O-N 2.88Å |
| 247 | A | 72.4 | Confident | 67 | Low | 74 Ų | 74 | 126 Ų | 126 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.4 | -31.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L243 R244 H249 P250 | L243-A247 WeakPolarHBondContact O-CB 3.23Å; L243-A247 PolarHBondContact O-N 2.76Å; R244-A247 PolarHBondContact O-N 2.91Å; A247-H249 VanDerWaalsContact C-N 3.31Å; A247-P250 WeakPolarHBondContact O-CG 3.26Å |
| 248 | L | 68.7 | Low | 65.2 | Low | 144 Ų | 144 | 126 Ų | 126 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -12.8 | 174.7 | -75.8 | 162.4 | 0 | 0 | 0 | 113.5 | R244 P250 | R244-L248 WeakPolarHBondContact O-CB 2.98Å; R244-L248 WeakPolarHBondContact O-CD1 3.38Å; R244-L248 VanDerWaalsContact O-CG 3.26Å; R244-L248 WeakPolarHBondContact O-CG 3.24Å; R244-L248 PolarHBondContact O-N 3.5Å; L248-P250 VanDerWaalsContact C-CD 3.48Å |
| 249 | H | 56.8 | Low | 63.7 | Low | 109 Ų | 109 | 127.8 Ų | 127.8 | 51% | 0.505 | 61% | 0.612 | S | S | . | * | trans | -128.7 | 63.4 | 177.2 | -119.7 | -48.7 | 0 | 0 | 0 | 112.1 | R245 R246 A247 E251 R252 | R245-H249 PolarHBondContact O-N 2.77Å; R246-H249 CarbonylContact O-C 3.43Å; R246-H249 PolarHBondContact O-N 2.88Å; A247-H249 VanDerWaalsContact C-N 3.31Å; H249-E251 VanDerWaalsContact C-N 3.27Å; H249-E251 PolarHBondContact O-N 3.4Å; H249-R252 PolarHBondContact O-N 3.22Å | ||
| 250 | P | 58.1 | Low | 62.2 | Low | 89 Ų | 89 | 123.6 Ų | 123.6 | 58% | 0.578 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -63.2 | -34.3 | 179.5 | -16.7 | 30.5 | 0 | 0 | 0 | 112.7 | A247 L248 R252 A253 | A247-P250 WeakPolarHBondContact O-CG 3.26Å; L248-P250 VanDerWaalsContact C-CD 3.48Å; P250-R252 PolarHBondContact O-N 2.78Å; P250-R252 VanDerWaalsContact O-N 3.1Å; P250-A253 PolarHBondContact O-N 3.21Å; P250-A253 VanDerWaalsContact O-N 3.12Å |
| 251 | E | 54.1 | Low | 60.6 | Low | 167 Ų | 167 | 125.2 Ų | 125.2 | 78% | 0.78 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -64.8 | -11.8 | -177.5 | -74.5 | -79.4 | 141.3 | 0 | 0 | 114.8 | H249 | H249-E251 VanDerWaalsContact C-N 3.27Å; H249-E251 PolarHBondContact O-N 3.4Å |
| 252 | R | 52.4 | Low | 59.4 | Low | 187 Ų | 187 | 124.8 Ų | 124.8 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -105.1 | -2.1 | 176.6 | -120.6 | -177.3 | -173.6 | 96.8 | 3 | 113.8 | H249 P250 | H249-R252 PolarHBondContact O-N 3.22Å; P250-R252 PolarHBondContact O-N 2.78Å; P250-R252 VanDerWaalsContact O-N 3.1Å |
| 253 | A | 50.7 | Low | 58.1 | Low | 46 Ų | 46 | 126.7 Ų | 126.7 | 38% | 0.38 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | -18.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | P250 D255 | P250-A253 PolarHBondContact O-N 3.21Å; P250-A253 VanDerWaalsContact O-N 3.12Å; A253-D255 VanDerWaalsContact C-N 3.32Å |
| 254 | M | 48.2 | Very low | 56.5 | Low | 167 Ų | 167 | 128.7 Ų | 128.7 | 82% | 0.823 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -68.5 | -32.1 | 175.5 | -160.1 | 83 | 149.7 | 0 | 0 | 111.8 | N256 | M254-N256 VanDerWaalsContact C-N 3.3Å; M254-N256 PolarHBondContact O-N 3.27Å |
| 255 | D | 47.1 | Very low | 55.7 | Low | 132 Ų | 132 | 124.3 Ų | 124.3 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -83.3 | -0.8 | -172.6 | -57.6 | -16.3 | 0 | 0 | 0 | 114.2 | A253 | A253-D255 VanDerWaalsContact C-N 3.32Š|
| 256 | N | 49.2 | Very low | 55 | Low | 136 Ų | 136 | 120.3 Ų | 120.3 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -133.5 | 20.7 | -172.6 | -151 | 87.4 | 0 | 0 | 0 | 113.5 | M254 | M254-N256 VanDerWaalsContact C-N 3.3Å; M254-N256 PolarHBondContact O-N 3.27Å |
| 257 | H | 44.6 | Very low | 54.1 | Low | 112 Ų | 112 | 120.4 Ų | 120.4 | 52% | 0.519 | 65% | 0.646 | S | S | . | * | trans | -93.8 | -0.7 | 175 | -157.8 | -88.4 | 0 | 0 | 0 | 113.4 | E261 | H257-E261 IonicContact CE1-OE1 3.94Å; H257-E261 PolarHBondContact CE1-OE1 3.24Å; H257-E261 IonicContact CE1-OE2 3.35Å; H257-E261 PolarHBondContact CE1-OE2 3.02Å; H257-E261 IonicContact ND1-OE1 2.98Å; H257-E261 PolarHBondContact ND1-OE1 2.84Å; H257-E261 IonicContact ND1-OE2 3.38Å | ||
| 258 | S | 46.8 | Very low | 53.3 | Low | 80 Ų | 80 | 121 Ų | 121 | 56% | 0.559 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -82.9 | -16.3 | -166.7 | -152.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 259 | D | 52.7 | Low | 52.6 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -116 | -11.3 | -165.1 | -67.6 | -11.9 | 0 | 0 | 0 | 115.4 | ||
| 260 | S | 50.2 | Low | 52.6 | Low | 86 Ų | 86 | 123.5 Ų | 123.5 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -107.8 | -12.8 | -170.7 | 50.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 261 | E | 52.5 | Low | 52.4 | Low | 115 Ų | 115 | 125.2 Ų | 125.2 | 54% | 0.537 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -93 | -21 | 176.2 | 65.5 | -176.2 | 146.7 | 0 | 0 | 113.4 | H257 A265 | H257-E261 IonicContact CE1-OE1 3.94Å; H257-E261 PolarHBondContact CE1-OE1 3.24Å; H257-E261 IonicContact CE1-OE2 3.35Å; H257-E261 PolarHBondContact CE1-OE2 3.02Å; H257-E261 IonicContact ND1-OE1 2.98Å; H257-E261 PolarHBondContact ND1-OE1 2.84Å; H257-E261 IonicContact ND1-OE2 3.38Å; E261-A265 PolarHBondContact O-N 2.89Å |
| 262 | E | 55.7 | Low | 52 | Low | 135 Ų | 135 | 122.8 Ų | 122.8 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.1 | -27.6 | 179.8 | -62.9 | -172.6 | 161.1 | 0 | 0 | 112.7 | A266 | E262-A266 PolarHBondContact O-N 2.94Å |
| 263 | E | 52.7 | Low | 52.3 | Low | 144 Ų | 144 | 120.2 Ų | 120.2 | 67% | 0.673 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78 | -28.8 | -179.5 | -62.1 | -167.2 | 160.7 | 0 | 0 | 113.7 | F267 | E263-F267 WeakPolarHBondContact O-CD2 3.37Å |
| 264 | L | 51.8 | Low | 52.5 | Low | 141 Ų | 141 | 122.3 Ų | 122.3 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.4 | -28.9 | 173.7 | -98.5 | 87.2 | 0 | 0 | 0 | 112.5 | A266 F267 | L264-A266 VanDerWaalsContact C-N 3.26Å; L264-A266 PolarHBondContact O-N 3.5Å; L264-F267 PolarHBondContact O-N 3.46Å |
| 265 | A | 58.6 | Low | 52.7 | Low | 68 Ų | 68 | 117.9 Ų | 117.9 | 56% | 0.562 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.2 | -24.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E261 F267 C268 | E261-A265 PolarHBondContact O-N 2.89Å; A265-F267 PolarHBondContact O-N 3.33Å; A265-C268 PolarHBondContact O-N 3.44Å |
| 266 | A | 59.2 | Low | 53.1 | Low | 80 Ų | 80 | 114.4 Ų | 114.4 | 66% | 0.661 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -12.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E262 L264 | E262-A266 PolarHBondContact O-N 2.94Å; L264-A266 VanDerWaalsContact C-N 3.26Å; L264-A266 PolarHBondContact O-N 3.5Å |
| 267 | F | 54.5 | Low | 53.4 | Low | 184 Ų | 184 | 111 Ų | 111 | 81% | 0.807 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -1.1 | -179.8 | -73.1 | -79.5 | 0 | 0 | 0 | 114.4 | E263 L264 A265 | E263-F267 WeakPolarHBondContact O-CD2 3.37Å; L264-F267 PolarHBondContact O-N 3.46Å; A265-F267 PolarHBondContact O-N 3.33Å |
| 268 | C | 54.2 | Low | 53.8 | Low | 88 Ų | 88 | 114.8 Ų | 114.8 | 60% | 0.595 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -87.6 | 124 | 169.2 | -67.8 | 0 | 0 | 0 | 0 | 108.7 | A265 Q270 | A265-C268 PolarHBondContact O-N 3.44Å; C268-Q270 PolarHBondContact O-N 3.31Å |
| 269 | P | 54.5 | Low | 54.2 | Low | 110 Ų | 110 | 118 Ų | 118 | 71% | 0.714 | 64% | 0.643 | S | S | * | * | trans | -58.2 | 125.8 | 170.6 | -2.4 | 9.8 | 0 | 0 | 0 | 108.3 | L271 | P269-L271 PolarHBondContact O-N 3.44Š| ||
| 270 | Q | 56 | Low | 54.3 | Low | 195 Ų | 195 | 118.3 Ų | 118.3 | 91% | 0.911 | 64% | 0.644 | S | S | * | * | trans | -62.6 | 98.9 | 175.5 | -73.7 | 179 | -12.3 | 0 | 0 | 108.4 | C268 D272 | C268-Q270 PolarHBondContact O-N 3.31Å; Q270-D272 PolarHBondContact O-N 2.69Å | ||
| 271 | L | 54.4 | Low | 54.4 | Low | 124 Ų | 124 | 118.2 Ų | 118.2 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | trans | -76 | 113.1 | 165.4 | -93 | 101.1 | 0 | 0 | 0 | 107.5 | P269 D273 V276 | P269-L271 PolarHBondContact O-N 3.44Å; L271-D273 PolarHBondContact O-N 2.83Å; L271-V276 HydrophobicContact CD2-CG2 3.58Å | ||
| 272 | D | 45.9 | Very low | 54.6 | Low | 116 Ų | 116 | 119 Ų | 119 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | trans | -67.4 | 111.6 | 166.3 | -103.2 | -29.6 | 0 | 0 | 0 | 108.8 | Q270 S274 T275 | Q270-D272 PolarHBondContact O-N 2.69Å; D272-S274 PolarHBondContact O-N 3.19Å; D272-T275 WeakPolarHBondContact CB-OG1 3.33Å; D272-T275 PolarHBondContact O-N 2.93Å; D272-T275 PolarHBondContact O-OG1 3.43Å | ||
| 273 | D | 58.7 | Low | 54.2 | Low | 133 Ų | 133 | 119 Ų | 119 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -56.9 | -18.8 | 177.3 | -75.5 | -30.8 | 0 | 0 | 0 | 113 | L271 A277 | L271-D273 PolarHBondContact O-N 2.83Å; D273-A277 WeakPolarHBondContact O-CB 3.35Å; D273-A277 PolarHBondContact O-N 3.45Å |
| 274 | S | 55.2 | Low | 53.8 | Low | 90 Ų | 90 | 120 Ų | 120 | 63% | 0.629 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.5 | -21.7 | 177.8 | 70.5 | 0 | 0 | 0 | 0 | 114.1 | D272 R278 | D272-S274 PolarHBondContact O-N 3.19Å; S274-R278 WeakPolarHBondContact O-CB 3.44Å |
| 275 | T | 53.3 | Low | 53.5 | Low | 75 Ų | 75 | 117.6 Ų | 117.6 | 46% | 0.46 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -87.4 | -39.4 | 175.4 | 4.2 | 0 | 0 | 0 | 0 | 111.5 | D272 R278 E279 | D272-T275 WeakPolarHBondContact CB-OG1 3.33Å; D272-T275 PolarHBondContact O-N 2.93Å; D272-T275 PolarHBondContact O-OG1 3.43Å; T275-R278 PolarHBondContact O-N 3.49Å; T275-E279 WeakPolarHBondContact O-CG 3.39Å; T275-E279 PolarHBondContact O-N 3.26Å |
| 276 | V | 55.3 | Low | 52.5 | Low | 59 Ų | 59 | 122.1 Ų | 122.1 | 36% | 0.358 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -68 | -38.8 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | L271 R278 E279 L280 | L271-V276 HydrophobicContact CD2-CG2 3.58Å; V276-R278 VanDerWaalsContact C-N 3.26Å; V276-R278 PolarHBondContact O-N 2.84Å; V276-E279 PolarHBondContact O-N 3.31Å; V276-L280 HydrophobicContact CG1-CD1 4.14Å; V276-L280 PolarHBondContact O-N 3.38Å; V276-L280 VanDerWaalsContact O-N 3.09Å |
| 277 | A | 55.5 | Low | 51.5 | Low | 65 Ų | 65 | 126.3 Ų | 126.3 | 54% | 0.537 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -68.5 | -24.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D273 | D273-A277 WeakPolarHBondContact O-CB 3.35Å; D273-A277 PolarHBondContact O-N 3.45Å |
| 278 | R | 52.6 | Low | 50.6 | Low | 190 Ų | 190 | 123.3 Ų | 123.3 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -81.4 | -28.9 | 176.5 | -172.7 | 173.6 | 174.4 | 164.2 | -1.8 | 112.5 | S274 T275 V276 | S274-R278 WeakPolarHBondContact O-CB 3.44Å; T275-R278 PolarHBondContact O-N 3.49Å; V276-R278 VanDerWaalsContact C-N 3.26Å; V276-R278 PolarHBondContact O-N 2.84Å |
| 279 | E | 55.3 | Low | 50.3 | Low | 147 Ų | 147 | 126.2 Ų | 126.2 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -84.9 | -23.4 | 176.7 | -65.5 | -165.4 | -179.9 | 0 | 0 | 113.1 | T275 V276 A281 | T275-E279 WeakPolarHBondContact O-CG 3.39Å; T275-E279 PolarHBondContact O-N 3.26Å; V276-E279 PolarHBondContact O-N 3.31Å; E279-A281 VanDerWaalsContact C-N 3.3Å; E279-A281 PolarHBondContact O-N 2.85Å |
| 280 | L | 54.8 | Low | 49.6 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -10.6 | 170.2 | -80.2 | 164.9 | 0 | 0 | 0 | 114.4 | V276 | V276-L280 HydrophobicContact CG1-CD1 4.14Å; V276-L280 PolarHBondContact O-N 3.38Å; V276-L280 VanDerWaalsContact O-N 3.09Å |
| 281 | A | 52.4 | Low | 48.9 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 2.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E279 | E279-A281 VanDerWaalsContact C-N 3.3Å; E279-A281 PolarHBondContact O-N 2.85Å |
| 282 | I | 55.2 | Low | 48.2 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -129 | 56.4 | -177.2 | -34.4 | 171 | 0 | 0 | 0 | 109.9 | ||
| 283 | T | 47.8 | Very low | 47.8 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | -153.5 | 74.1 | 162.7 | -16.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 284 | D | 45.8 | Very low | 47 | Very low | 165 Ų | 165 | 122.9 Ų | 122.9 | 88% | 0.882 | 71% | 0.706 | S | S | * | * | trans | -120.9 | 100.1 | 162.8 | -174.5 | 21.4 | 0 | 0 | 0 | 107.8 | ||||
| 285 | S | 44.1 | Very low | 46.5 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -168.1 | 95.4 | 160.1 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 286 | E | 38.9 | Very low | 45.7 | Very low | 162 Ų | 162 | 128 Ų | 128 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | trans | 40.5 | 121.5 | 136.9 | 76.9 | -150.5 | 101.8 | 0 | 0 | 122.7 | ||||
| 287 | H | 36.9 | Very low | 44.9 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | 45.1 | 115.8 | 130.3 | -98.2 | 69.9 | 0 | 0 | 0 | 120.4 | ||||
| 288 | S | 37.1 | Very low | 44.3 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | -167.4 | 131.3 | 115 | -87.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 289 | D | 47.1 | Very low | 43.4 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -55.2 | 133 | 159.7 | -57.7 | -51.5 | 0 | 0 | 0 | 110.5 | ||||
| 290 | A | 38.6 | Very low | 42.5 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -172.5 | 105.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 291 | E | 42.2 | Very low | 41.8 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -37.7 | 159.4 | 146.2 | 49.3 | -149.2 | 127.4 | 0 | 0 | 115.5 | ||||
| 292 | V | 38.8 | Very low | 41.1 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 104.7 | 104.7 | 162.7 | -174.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 293 | S | 38.5 | Very low | 40.7 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | 32.7 | 123.3 | 124.8 | -168 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 294 | C | 42.9 | Very low | 40.4 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | 178.8 | 134.6 | 103.3 | -91.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 295 | T | 44.4 | Very low | 40.1 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -35.3 | 133.7 | 158.1 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 296 | D | 35.2 | Very low | 39.7 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -150.8 | 106.8 | 146.1 | -157.9 | 17.3 | 0 | 0 | 0 | 112.7 | ||||
| 297 | N | 40 | Very low | 39.6 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 11.3 | 136.6 | 147.9 | -57.1 | -31.7 | 0 | 0 | 0 | 121.1 | ||||
| 298 | G | 40.9 | Very low | 40.1 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -179.8 | 38.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 299 | T | 35.2 | Very low | 40.1 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | trans | 29.2 | 118 | 144 | -31.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 300 | F | 36.1 | Very low | 39.5 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | 175.8 | 126.2 | 103.9 | -106.8 | -85 | 0 | 0 | 0 | 114.7 | |||||
| 301 | N | 39.7 | Very low | 39.6 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | trans | -20.3 | 144.7 | 163.5 | -58.9 | -85.8 | 0 | 0 | 0 | 120.6 | ||||
| 302 | L | 38.5 | Very low | 39.2 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | -160.5 | 130.3 | 116.3 | -95.9 | 174.1 | 0 | 0 | 0 | 112.9 | |||||
| 303 | S | 47.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 85.7 | 91.6 | 155.2 | -63.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 304 | R | 41.4 | Very low | 39.3 | Very low | 241 Ų | 241 | 136 Ų | 136 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 142.8 | 158.8 | -171.3 | -177.3 | -175.5 | 119.5 | -0.7 | 109.8 | ||||
| 305 | G | 38.9 | Very low | 39.3 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | 172 | 77 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 306 | Q | 36.1 | Very low | 39.2 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | 90.6 | 104.6 | 89.9 | -165.4 | 85.4 | -5.4 | 0 | 0 | 113.7 | |||||
| 307 | T | 35 | Very low | 40 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -162.9 | 154.9 | 132.2 | 31.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 308 | P | 48.9 | Very low | 40.3 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -109.3 | 152.4 | -130.4 | 38.2 | -33.1 | 0 | 0 | 0 | 117.5 | ||||
| 309 | L | 35.8 | Very low | 40.1 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | 15.2 | 129.5 | 142.9 | -59.5 | 175.1 | 0 | 0 | 0 | 121.1 | ||||
| 310 | T | 35.3 | Very low | 40.7 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -146 | 114.8 | 112.3 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 311 | E | 39.7 | Very low | 40.9 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -86.5 | 156.7 | 158.5 | -84.7 | -174.3 | 142.1 | 0 | 0 | 110 | ||||
| 312 | G | 33.8 | Very low | 41.6 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | 132.9 | 81.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 313 | S | 41.2 | Very low | 42.1 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 79.1 | 143.8 | 79.6 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 314 | E | 40 | Very low | 42.2 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 99.2 | 106.9 | 154.2 | 90.4 | -161.9 | 85.8 | 0 | 0 | 119.4 | ||||
| 315 | D | 41.7 | Very low | 42.7 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -58.6 | 129.7 | 166.7 | -55.3 | -66.6 | 0 | 0 | 0 | 111.3 | ||||
| 316 | L | 42.7 | Very low | 43.3 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -129.5 | 106.2 | 157.8 | -95.3 | 163.7 | 0 | 0 | 0 | 107.8 | G318 | L316-G318 PolarHBondContact O-N 3.29Š| ||
| 317 | D | 52.6 | Low | 44 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -45.4 | 125 | 163.8 | -85.1 | -41.9 | 0 | 0 | 0 | 110.8 | ||||
| 318 | G | 45 | Very low | 44.6 | Very low | 56 Ų | 56 | 143.2 Ų | 143.2 | 58% | 0.577 | 79% | 0.792 | S | S | * | * | trans | 159.1 | 101.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L316 | L316-G318 PolarHBondContact O-N 3.29Š| ||
| 319 | H | 37.1 | Very low | 44.8 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 115.4 | 92.1 | 147 | -59.4 | -64.5 | 0 | 0 | 0 | 117.1 | ||||
| 320 | S | 47.5 | Very low | 45.4 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | 45.7 | 100.3 | 122.7 | 46.7 | 0 | 0 | 0 | 0 | 117.9 | P322 | S320-P322 WeakPolarHBondContact O-CD 3.34Š| |||
| 321 | D | 40.7 | Very low | 46.3 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -76 | 125.7 | 154 | -94.2 | -36.7 | 0 | 0 | 0 | 110.7 | ||||
| 322 | P | 55.3 | Low | 46.7 | Very low | 101 Ų | 101 | 142 Ų | 142 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | -126.1 | 39.6 | 168.5 | 39.2 | -21.7 | 0 | 0 | 0 | 112.3 | S320 | S320-P322 WeakPolarHBondContact O-CD 3.34Š| ||
| 323 | E | 48.2 | Very low | 47 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -111.7 | 3.4 | 178.3 | -63.7 | -143.9 | 126.2 | 0 | 0 | 115.4 | ||||
| 324 | E | 49.3 | Very low | 47.1 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -97 | 6.8 | 175 | -64.3 | -161.2 | 147.3 | 0 | 0 | 115 | ||
| 325 | S | 52 | Low | 47.1 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -102.9 | 0.6 | -176.3 | -163.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 326 | F | 50.9 | Low | 46.9 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -102.3 | 0.4 | -177.6 | -88.5 | -78.4 | 0 | 0 | 0 | 115.5 | ||
| 327 | A | 50.5 | Low | 46.6 | Very low | 99 Ų | 99 | 144 Ų | 144 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -103 | 13.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 328 | R | 48.8 | Very low | 46.1 | Very low | 220 Ų | 220 | 142 Ų | 142 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -105.4 | -1.4 | -173.5 | -112.2 | -178.5 | -176.8 | 148 | 3.1 | 117.2 | ||
| 329 | D | 52.3 | Low | 45.7 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -141.7 | 58.7 | -177.6 | -71.5 | -51.1 | 0 | 0 | 0 | 114 | ||||
| 330 | L | 49.9 | Very low | 46.4 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -114.9 | 130.2 | 158.9 | -97.5 | 88.3 | 0 | 0 | 0 | 110.1 | ||||
| 331 | P | 53.3 | Low | 46.1 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 142.6 | 177 | 28.8 | -32.1 | 0 | 0 | 0 | 111.2 | F333 | P331-F333 PolarHBondContact O-N 3.42Š|
| 332 | D | 47.2 | Very low | 45.7 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 127.9 | -179.2 | -67.8 | -49.4 | 0 | 0 | 0 | 112.8 | ||
| 333 | F | 41 | Very low | 44.9 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 136.7 | 169.2 | -76.9 | -85.2 | 0 | 0 | 0 | 110.1 | P331 S335 | P331-F333 PolarHBondContact O-N 3.42Å; F333-S335 PolarHBondContact O-N 3.3Å |
| 334 | P | 43.9 | Very low | 44.3 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 122.8 | -177.6 | 27.8 | -31.6 | 0 | 0 | 0 | 110.6 | I336 | P334-I336 PolarHBondContact O-N 3.18Š|
| 335 | S | 40.2 | Very low | 43.9 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -71.2 | 114.9 | 168.5 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | F333 N337 | F333-S335 PolarHBondContact O-N 3.3Å; S335-N337 PolarHBondContact O-N 2.97Å | ||
| 336 | I | 36.1 | Very low | 43.4 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -80.7 | 106.8 | 169 | -163.1 | 122.1 | 0 | 0 | 0 | 108.5 | P334 V338 | P334-I336 PolarHBondContact O-N 3.18Å; I336-V338 PolarHBondContact O-N 2.9Å | ||
| 337 | N | 36.2 | Very low | 43.2 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -68.8 | 119.1 | 163.4 | -83.3 | -32.4 | 0 | 0 | 0 | 107.9 | S335 | S335-N337 PolarHBondContact O-N 2.97Š| ||
| 338 | V | 42.8 | Very low | 42.8 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -99.3 | 98.1 | 163.1 | 176.5 | 0 | 0 | 0 | 0 | 106.3 | I336 | I336-V338 PolarHBondContact O-N 2.9Š| ||
| 339 | D | 37.3 | Very low | 42.2 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -72.4 | 141.9 | 166.4 | -85.7 | -37.5 | 0 | 0 | 0 | 110.1 | ||||
| 340 | P | 51.6 | Low | 41.5 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -94.8 | 112.5 | 178.2 | 34.4 | -27.6 | 0 | 0 | 0 | 110.7 | ||||
| 341 | A | 39.8 | Very low | 40.9 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -160.6 | 127.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 342 | G | 33.9 | Very low | 39.9 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 117.3 | 83.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 343 | L | 38.5 | Very low | 39.4 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | 44.7 | 85.7 | 62.3 | -77.6 | 172.9 | 0 | 0 | 0 | 112.7 | |||||
| 344 | D | 35.1 | Very low | 39.1 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -177 | 101.4 | 130.9 | -131.2 | 24.7 | 0 | 0 | 0 | 106.5 | ||||
| 345 | D | 40.9 | Very low | 38.3 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | 75.4 | 130 | 81.1 | -99.4 | 17.8 | 0 | 0 | 0 | 114.9 | |||||
| 346 | E | 41.3 | Very low | 37.8 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | trans | 63.5 | 106.1 | 159.4 | -40.9 | -51.3 | 87.6 | 0 | 0 | 120.6 | ||||
| 347 | D | 46.3 | Very low | 37.3 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | 172.6 | 134.4 | 99.6 | -91.7 | -33 | 0 | 0 | 0 | 113.6 | |||||
| 348 | D | 42.8 | Very low | 36.9 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -78.6 | 153.1 | -172.9 | -90 | -47 | 0 | 0 | 0 | 115.1 | ||||
| 349 | T | 36.7 | Very low | 36.1 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -13.1 | 128.6 | 155 | 54.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 350 | S | 36.2 | Very low | 35.6 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -143.5 | 97.9 | 151.5 | -151.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 351 | I | 38.6 | Very low | 35.7 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -121.2 | 103.8 | 154.8 | -71.3 | 178.6 | 0 | 0 | 0 | 106.1 | ||||
| 352 | G | 30.7 | Very low | 36 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -73 | 130.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 353 | M | 36.9 | Very low | 35.6 | Very low | 156 Ų | 156 | 142 Ų | 142 | 77% | 0.768 | 79% | 0.794 | S | S | * | * | trans | -76.2 | 164.4 | 157.1 | -70.7 | -76.8 | -80 | 0 | 0 | 109.9 | ||||
| 354 | P | 35.2 | Very low | 35.1 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -129.8 | 144.6 | 124.3 | 34.7 | -25 | 0 | 0 | 0 | 112.7 | |||||
| 355 | S | 27.7 | Very low | 34.7 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -111.4 | 160.1 | 167.3 | -67.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 356 | L | 29.3 | Very low | 34 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | 91.7 | 110.9 | 159.4 | -84.1 | 163.9 | 0 | 0 | 0 | 119.6 | ||||
| 357 | M | 25.3 | Very low | 33.3 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 97% | 0.966 | 79% | 0.793 | S | S | * | * | -156.3 | 151.7 | 102.5 | -126.2 | -165.2 | 177.2 | 0 | 0 | 113.2 | |||||
| 358 | Y | 28.9 | Very low | 32.3 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -106.9 | 137.6 | -166.9 | -167.2 | -91.6 | 0 | 0 | 0 | 109.7 | ||||
| 359 | R | 24.4 | Very low | 31.4 | Very low | 246 Ų | 246 | 140.8 Ų | 140.8 | 93% | 0.928 | 79% | 0.79 | S | S | * | * | trans | -158.5 | 128.2 | 151.8 | -154 | 152.4 | -172.8 | 138 | 0.5 | 113.2 | ||||
| 360 | S | 26.7 | Very low | 31.9 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | -133.4 | 178.7 | 167.5 | -73.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 361 | P | 55.3 | Low | 32.1 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -129.2 | -142.4 | -34.6 | 32.4 | -7.9 | 0 | 0 | 0 | 108.1 | ||||
| 362 | P | 45.2 | Very low | 31.5 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -142.2 | 173.7 | -7.3 | 38.3 | -16.6 | 0 | 0 | 0 | 118.3 | ||||
| 363 | G | 26.5 | Very low | 31.4 | Very low | 72 Ų | 72 | 138.1 Ų | 138.1 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | 117.7 | 115.2 | 127.7 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 364 | A | 27.6 | Very low | 31 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 80 | 117.9 | 132.3 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 365 | E | 27.2 | Very low | 30.7 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | 71.5 | 125.2 | 128.3 | -60.9 | -159.1 | 139 | 0 | 0 | 124.9 | |||||
| 366 | E | 25.9 | Very low | 31.1 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | 64.6 | 132 | 136.3 | -119 | 179.9 | 158.6 | 0 | 0 | 124.4 | ||||
| 367 | L | 26.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | trans | 101.7 | 126.5 | 133.3 | -148 | 69.2 | 0 | 0 | 0 | 121.1 | ||||
| 368 | Q | 25.7 | Very low | 31.9 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 83.4 | 143 | 145.9 | -89.6 | 160.2 | 29.4 | 0 | 0 | 123.3 | ||||
| 369 | N | 24.1 | Very low | 32.5 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -99.3 | -173 | -177.7 | -147.3 | 23.2 | 0 | 0 | 0 | 109.3 | ||||
| 370 | P | 46.8 | Very low | 33.2 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | -103.7 | -167.5 | -111.6 | 45.7 | -29.8 | 0 | 0 | 0 | 113.5 | |||||
| 371 | P | 40.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | -155 | 159.5 | 69.9 | 38.9 | -15.6 | 0 | 0 | 0 | 119.6 | |||||
| 372 | A | 25.8 | Very low | 33 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 59.2 | 119.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 373 | S | 28.2 | Very low | 32.7 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | -177.3 | 111.8 | 118.2 | 31.1 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 374 | Q | 29.2 | Very low | 33.5 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | 40.8 | 112.8 | 95.4 | -69.8 | 178.6 | 23.5 | 0 | 0 | 111.1 | |||||
| 375 | D | 29 | Very low | 34.1 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | cis | -165.6 | 179.3 | 47.8 | -110.4 | -33.1 | 0 | 0 | 0 | 110 | ||||
| 376 | E | 35.1 | Very low | 34.9 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 85.2 | 87.5 | 166.6 | -76.5 | -95.9 | 100.8 | 0 | 0 | 118.2 | ||||
| 377 | A | 36.2 | Very low | 35.5 | Very low | 91 Ų | 91 | 131 Ų | 131 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | 179.9 | 50.4 | 134.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 378 | V | 35.6 | Very low | 36.2 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -109.6 | 78.5 | 167.2 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 379 | L | 40.3 | Very low | 37 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | -139.5 | -8.2 | 176.3 | -108.7 | 171.1 | 0 | 0 | 0 | 117.1 | ||||
| 380 | P | 40.3 | Very low | 37.7 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -89 | -21.4 | 173.3 | -15 | 31.4 | 0 | 0 | 0 | 115.8 | ||
| 381 | E | 41.5 | Very low | 37.6 | Very low | 179 Ų | 179 | 123 Ų | 123 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -87.1 | -21.7 | -169.9 | -74 | -158.3 | 146.4 | 0 | 0 | 114.9 | ||
| 382 | L | 35.8 | Very low | 38.1 | Very low | 150 Ų | 150 | 122.2 Ų | 122.2 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -83.6 | -13.9 | -178.9 | -111.7 | 160.5 | 0 | 0 | 0 | 114 | ||
| 383 | L | 39.6 | Very low | 39 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -91.9 | -14.3 | 180 | -82.6 | 168.8 | 0 | 0 | 0 | 114.1 | ||
| 384 | L | 42.2 | Very low | 40 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -88.8 | -11.7 | 178.3 | -118.1 | 73.1 | 0 | 0 | 0 | 113.7 | ||
| 385 | G | 39.9 | Very low | 41.1 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -96.2 | -1.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 386 | A | 43.8 | Very low | 42.6 | Very low | 80 Ų | 80 | 116.4 Ų | 116.4 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | trans | -123.7 | 38.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | P388 | A386-P388 WeakPolarHBondContact O-CD 3.44Š| ||
| 387 | L | 40.1 | Very low | 43.9 | Very low | 143 Ų | 143 | 113.1 Ų | 113.1 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | -97.7 | 111.3 | 170.8 | -88.2 | 159.5 | 0 | 0 | 0 | 110.5 | ||||
| 388 | P | 40.4 | Very low | 45 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | -72.6 | 142.4 | 163.1 | 29.9 | -28.3 | 0 | 0 | 0 | 109.4 | A386 | A386-P388 WeakPolarHBondContact O-CD 3.44Š| ||
| 389 | A | 42.5 | Very low | 46.3 | Very low | 107 Ų | 107 | 108.6 Ų | 108.6 | 88% | 0.884 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -58.5 | 139.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 390 | G | 38.2 | Very low | 47.6 | Very low | 61 Ų | 61 | 108.4 Ų | 108.4 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 112.1 | 104.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 391 | S | 46 | Very low | 49.1 | Very low | 108 Ų | 108 | 107.6 Ų | 107.6 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 60.1 | 147.3 | 161.5 | 58.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 392 | N | 49.9 | Very low | 50.3 | Low | 104 Ų | 104 | 101.6 Ų | 101.6 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | trans | 92.4 | 35.3 | 172.2 | -33.2 | -37.4 | 0 | 0 | 0 | 117.5 | T394 N396 | N392-T394 PolarHBondContact O-N 3.33Å; N392-N396 PolarHBondContact O-ND2 3.47Å | ||
| 393 | L | 45.6 | Very low | 51.7 | Low | 130 Ų | 130 | 100.4 Ų | 100.4 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.3 | -31.3 | 179 | -159.2 | 85.7 | 0 | 0 | 0 | 113.6 | ||
| 394 | T | 48.4 | Very low | 53.1 | Low | 122 Ų | 122 | 96.2 Ų | 96.2 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -84.1 | -37.7 | -170.6 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | N392 A398 | N392-T394 PolarHBondContact O-N 3.33Å; T394-A398 PolarHBondContact O-N 2.99Å |
| 395 | S | 53.7 | Low | 54.1 | Low | 72 Ų | 72 | 95.1 Ų | 95.1 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.4 | -36.5 | -177.6 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | S399 | S395-S399 PolarHBondContact O-N 2.8Å |
| 396 | N | 59.7 | Low | 55.3 | Low | 93 Ų | 93 | 96.3 Ų | 96.3 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.2 | -31.4 | -178.8 | -67.4 | -57.4 | 0 | 0 | 0 | 112.6 | N392 S399 L400 | N392-N396 PolarHBondContact O-ND2 3.47Å; N396-S399 PolarHBondContact O-N 2.9Å; N396-L400 WeakPolarHBondContact O-CB 3.42Å; N396-L400 WeakPolarHBondContact O-CG 3.37Å; N396-L400 PolarHBondContact O-N 3.48Å |
| 397 | L | 62.1 | Low | 56 | Low | 101 Ų | 101 | 99.2 Ų | 99.2 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.3 | -40.5 | 176.6 | -127.1 | 164.4 | 0 | 0 | 0 | 111.6 | S399 L400 V401 | L397-S399 VanDerWaalsContact C-N 3.34Å; L397-L400 PolarHBondContact O-N 2.87Å; L397-V401 HydrophobicContact CD2-CG2 3.93Å; L397-V401 WeakPolarHBondContact O-CB 3.49Å; L397-V401 VanDerWaalsContact O-CG2 3.26Å; L397-V401 WeakPolarHBondContact O-CG2 3.41Å; L397-V401 PolarHBondContact O-N 2.8Å |
| 398 | A | 60.4 | Low | 56.8 | Low | 65 Ų | 65 | 98.7 Ų | 98.7 | 54% | 0.537 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.5 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T394 S402 | T394-A398 PolarHBondContact O-N 2.99Å; A398-S402 VanDerWaalsContact O-CB 3.29Å; A398-S402 WeakPolarHBondContact O-CB 3.36Å; A398-S402 PolarHBondContact O-N 2.86Å; A398-S402 PolarHBondContact O-OG 3.4Å |
| 399 | S | 61 | Low | 57.3 | Low | 63 Ų | 63 | 96.7 Ų | 96.7 | 44% | 0.441 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.3 | -47.7 | 175 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | S395 N396 L397 V401 S402 Q403 | S395-S399 PolarHBondContact O-N 2.8Å; N396-S399 PolarHBondContact O-N 2.9Å; L397-S399 VanDerWaalsContact C-N 3.34Å; S399-V401 PolarHBondContact O-N 3.37Å; S399-S402 PolarHBondContact O-N 3.43Å; S399-S402 PolarHBondContact O-OG 3.36Å; S399-Q403 WeakPolarHBondContact O-CB 3.19Å; S399-Q403 PolarHBondContact O-N 2.83Å |
| 400 | L | 69.4 | Low | 57.8 | Low | 118 Ų | 118 | 97.4 Ų | 97.4 | 62% | 0.618 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.1 | -40.8 | 179.2 | -83.7 | 160.8 | 0 | 0 | 0 | 113.3 | N396 L397 Q403 G404 | N396-L400 WeakPolarHBondContact O-CB 3.42Å; N396-L400 WeakPolarHBondContact O-CG 3.37Å; N396-L400 PolarHBondContact O-N 3.48Å; L397-L400 PolarHBondContact O-N 2.87Å; L400-Q403 PolarHBondContact O-N 3.13Å; L400-G404 PolarHBondContact O-N 2.83Å |
| 401 | V | 71.1 | Confident | 58.5 | Low | 87 Ų | 87 | 98.1 Ų | 98.1 | 53% | 0.527 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -40.3 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | L397 S399 Q403 G404 M405 | L397-V401 HydrophobicContact CD2-CG2 3.93Å; L397-V401 WeakPolarHBondContact O-CB 3.49Å; L397-V401 VanDerWaalsContact O-CG2 3.26Å; L397-V401 WeakPolarHBondContact O-CG2 3.41Å; L397-V401 PolarHBondContact O-N 2.8Å; S399-V401 PolarHBondContact O-N 3.37Å; V401-Q403 PolarHBondContact O-N 2.9Å; V401-G404 PolarHBondContact O-N 3.1Å; V401-M405 WeakPolarHBondContact O-CB 3.34Å; V401-M405 PolarHBondContact O-N 3.12Å |
| 402 | S | 67.4 | Low | 58.5 | Low | 52 Ų | 52 | 96.3 Ų | 96.3 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.3 | -40.8 | 176 | 74.3 | 0 | 0 | 0 | 0 | 112 | A398 S399 M405 I406 | A398-S402 VanDerWaalsContact O-CB 3.29Å; A398-S402 WeakPolarHBondContact O-CB 3.36Å; A398-S402 PolarHBondContact O-N 2.86Å; A398-S402 PolarHBondContact O-OG 3.4Å; S399-S402 PolarHBondContact O-N 3.43Å; S399-S402 PolarHBondContact O-OG 3.36Å; S402-M405 PolarHBondContact O-N 3.36Å; S402-I406 WeakPolarHBondContact O-CB 3.34Å; S402-I406 VanDerWaalsContact O-CD1 3.27Å; S402-I406 WeakPolarHBondContact O-CD1 3.39Å; S402-I406 WeakPolarHBondContact O-CG1 3.15Å; S402-I406 PolarHBondContact O-N 3.33Å |
| 403 | Q | 64.9 | Low | 58.3 | Low | 126 Ų | 126 | 95.4 Ų | 95.4 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.6 | -36.9 | -179.2 | -160.9 | 171.3 | 1.3 | 0 | 0 | 112 | S399 L400 V401 H407 | S399-Q403 WeakPolarHBondContact O-CB 3.19Å; S399-Q403 PolarHBondContact O-N 2.83Å; L400-Q403 PolarHBondContact O-N 3.13Å; V401-Q403 PolarHBondContact O-N 2.9Å; Q403-H407 WeakPolarHBondContact O-CB 3.44Å; Q403-H407 PolarHBondContact O-N 2.73Å |
| 404 | G | 68.9 | Low | 58 | Low | 46 Ų | 46 | 93.9 Ų | 93.9 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -38.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | L400 V401 H407 L408 | L400-G404 PolarHBondContact O-N 2.83Å; V401-G404 PolarHBondContact O-N 3.1Å; G404-H407 PolarHBondContact O-N 2.98Å; G404-L408 WeakPolarHBondContact O-CB 3.4Å; G404-L408 PolarHBondContact O-N 3.5Å; G404-L408 VanDerWaalsContact O-N 3.09Å |
| 405 | M | 62.8 | Low | 57.6 | Low | 133 Ų | 133 | 97 Ų | 97 | 66% | 0.655 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.1 | -33.1 | 178.4 | -158 | 163 | 69.8 | 0 | 0 | 112.4 | V401 S402 A409 | V401-M405 WeakPolarHBondContact O-CB 3.34Å; V401-M405 PolarHBondContact O-N 3.12Å; S402-M405 PolarHBondContact O-N 3.36Å; M405-A409 WeakPolarHBondContact O-CB 3.48Å; M405-A409 PolarHBondContact O-N 3.49Å |
| 406 | I | 66 | Low | 56.9 | Low | 100 Ų | 100 | 99.6 Ų | 99.6 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.2 | -39 | 173.6 | -67 | 160.2 | 0 | 0 | 0 | 111 | S402 A409 L410 | S402-I406 WeakPolarHBondContact O-CB 3.34Å; S402-I406 VanDerWaalsContact O-CD1 3.27Å; S402-I406 WeakPolarHBondContact O-CD1 3.39Å; S402-I406 WeakPolarHBondContact O-CG1 3.15Å; S402-I406 PolarHBondContact O-N 3.33Å; I406-A409 PolarHBondContact O-N 3.45Å; I406-L410 HydrophobicContact CG2-CD1 3.68Å; I406-L410 HydrophobicContact CG2-CG 4.49Å; I406-L410 WeakPolarHBondContact O-CB 3.46Å; I406-L410 WeakPolarHBondContact O-CD1 3.41Å; I406-L410 WeakPolarHBondContact O-CG 3.33Å; I406-L410 PolarHBondContact O-N 3.43Å |
| 407 | H | 56.9 | Low | 55.5 | Low | 141 Ų | 141 | 98.8 Ų | 98.8 | 65% | 0.653 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.2 | -33.5 | 178.1 | -148.7 | -92.3 | 0 | 0 | 0 | 112.3 | Q403 G404 S411 | Q403-H407 WeakPolarHBondContact O-CB 3.44Å; Q403-H407 PolarHBondContact O-N 2.73Å; G404-H407 PolarHBondContact O-N 2.98Å; H407-S411 WeakPolarHBondContact O-CB 3.45Å; H407-S411 PolarHBondContact O-N 3.49Å; H407-S411 VanDerWaalsContact O-N 3.07Å; H407-S411 PolarHBondContact O-OG 3.35Å |
| 408 | L | 56.6 | Low | 54.4 | Low | 132 Ų | 132 | 99.7 Ų | 99.7 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.5 | -31.8 | 174 | -156.2 | 77 | 0 | 0 | 0 | 112.5 | G404 S411 G412 | G404-L408 WeakPolarHBondContact O-CB 3.4Å; G404-L408 PolarHBondContact O-N 3.5Å; G404-L408 VanDerWaalsContact O-N 3.09Å; L408-S411 WeakPolarHBondContact CA-OG 3.32Å; L408-S411 PolarHBondContact O-OG 3.3Å; L408-G412 PolarHBondContact O-N 2.88Å |
| 409 | A | 51.8 | Low | 53.1 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.4 | -33.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | M405 I406 | M405-A409 WeakPolarHBondContact O-CB 3.48Å; M405-A409 PolarHBondContact O-N 3.49Å; I406-A409 PolarHBondContact O-N 3.45Å |
| 410 | L | 53.6 | Low | 51.8 | Low | 122 Ų | 122 | 103 Ų | 103 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.2 | -28.6 | 176.4 | -78.7 | 160.2 | 0 | 0 | 0 | 113 | I406 | I406-L410 HydrophobicContact CG2-CD1 3.68Å; I406-L410 HydrophobicContact CG2-CG 4.49Å; I406-L410 WeakPolarHBondContact O-CB 3.46Å; I406-L410 WeakPolarHBondContact O-CD1 3.41Å; I406-L410 WeakPolarHBondContact O-CG 3.33Å; I406-L410 PolarHBondContact O-N 3.43Å |
| 411 | S | 53.1 | Low | 50.7 | Low | 75 Ų | 75 | 103.5 Ų | 103.5 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -82.4 | -15 | 176.4 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | H407 L408 | H407-S411 WeakPolarHBondContact O-CB 3.45Å; H407-S411 PolarHBondContact O-N 3.49Å; H407-S411 VanDerWaalsContact O-N 3.07Å; H407-S411 PolarHBondContact O-OG 3.35Å; L408-S411 WeakPolarHBondContact CA-OG 3.32Å; L408-S411 PolarHBondContact O-OG 3.3Å |
| 412 | G | 46.3 | Very low | 49.7 | Very low | 71 Ų | 71 | 104.8 Ų | 104.8 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -2.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L408 | L408-G412 PolarHBondContact O-N 2.88Š|
| 413 | A | 44.5 | Very low | 49.2 | Very low | 84 Ų | 84 | 107.5 Ų | 107.5 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -112.7 | 17.5 | -169 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 414 | S | 39.6 | Very low | 47.5 | Very low | 98 Ų | 98 | 111.6 Ų | 111.6 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | trans | -122.6 | 87.4 | -179.6 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 415 | Q | 39.3 | Very low | 45.7 | Very low | 188 Ų | 188 | 119.6 Ų | 119.6 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | trans | -134.1 | 123.2 | 154.3 | -90.5 | -110.3 | 25.8 | 0 | 0 | 108.9 | ||||
| 416 | P | 39.5 | Very low | 44.1 | Very low | 126 Ų | 126 | 116.7 Ų | 116.7 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -96.6 | 133.6 | -176.9 | 35 | -28.6 | 0 | 0 | 0 | 112 | ||||
| 417 | G | 30.2 | Very low | 42.4 | Very low | 76 Ų | 76 | 117.6 Ų | 117.6 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | trans | -122.2 | 132.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 418 | P | 39.9 | Very low | 41.1 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -96.3 | 156.4 | -163.3 | 36.1 | -33.9 | 0 | 0 | 0 | 115.6 | ||||
| 419 | S | 33.2 | Very low | 39.8 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | 89.7 | 118.1 | 142.4 | 71.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 420 | G | 33.6 | Very low | 38.7 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | 121.8 | 144.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 421 | P | 45 | Very low | 37.8 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -123.3 | -160 | -133.7 | 47.4 | -32.1 | 0 | 0 | 0 | 114.2 | ||||
| 422 | P | 51.6 | Low | 36.6 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | -127 | -141.9 | -112.4 | 36.1 | -10.5 | 0 | 0 | 0 | 112.3 | |||||
| 423 | P | 55.8 | Low | 36.1 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | -122.6 | 171.1 | -65.4 | 29 | -10.7 | 0 | 0 | 0 | 112.7 | |||||
| 424 | R | 29.9 | Very low | 36.2 | Very low | 213 Ų | 213 | 137.3 Ų | 137.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -174.9 | 116.2 | 140.8 | -106.5 | 160.3 | 123.8 | 138.1 | -3.2 | 109.7 | ||||
| 425 | R | 30.2 | Very low | 35.7 | Very low | 213 Ų | 213 | 137.9 Ų | 137.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | 71.3 | 130.9 | 97.3 | -175.5 | -172.4 | -100.8 | 177.2 | -2.4 | 110.6 | |||||
| 426 | A | 29.2 | Very low | 35.3 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 60% | 0.595 | 78% | 0.779 | S | S | * | * | cis | -173.7 | 178.1 | -11.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 427 | T | 30.1 | Very low | 35 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | 73.8 | 122.7 | 150.2 | 47.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 428 | R | 31 | Very low | 35.3 | Very low | 243 Ų | 243 | 138.8 Ų | 138.8 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | 51 | 120.5 | 132.4 | -70.7 | 174.5 | 166.5 | 155 | -5 | 116 | ||||
| 429 | G | 27.8 | Very low | 35.3 | Very low | 73 Ų | 73 | 139.7 Ų | 139.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | 115.7 | 148.7 | 50 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 430 | F | 29.7 | Very low | 35.8 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 89.7 | 112.3 | 165.6 | -123.5 | -100.9 | 0 | 0 | 0 | 119.8 | ||||
| 431 | L | 34.4 | Very low | 36.3 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 11.2 | 131.7 | 144.2 | -70.6 | 156 | 0 | 0 | 0 | 119.5 | ||||
| 432 | R | 28.3 | Very low | 36.7 | Very low | 245 Ų | 245 | 141.6 Ų | 141.6 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | 155 | 118.5 | 119 | -169.9 | 165.7 | -148.8 | 157.4 | 3.2 | 110.6 | |||||
| 433 | A | 34.6 | Very low | 36.3 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -84.8 | 178.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 434 | P | 47.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -132.9 | 169.6 | -16.1 | 35.2 | -17.4 | 0 | 0 | 0 | 113.2 | ||||
| 435 | S | 29.6 | Very low | 36.8 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -172 | 145.3 | 148.1 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 436 | S | 29.9 | Very low | 38.2 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 81.5 | 116.2 | 141.2 | 78.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 437 | D | 33.1 | Very low | 39.7 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 74.1 | 108.8 | 130.7 | -51.5 | -15.4 | 0 | 0 | 0 | 119.9 | ||||
| 438 | L | 36.9 | Very low | 41.4 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | -159.7 | 110.9 | 126.1 | -146.7 | 86.9 | 0 | 0 | 0 | 110.6 | |||||
| 439 | D | 39.9 | Very low | 43.1 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -67.2 | 142.1 | 164.5 | -66.9 | -48.1 | 0 | 0 | 0 | 110.7 | ||||
| 440 | T | 43.5 | Very low | 45 | Very low | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -160.4 | 123.1 | 135.2 | -11.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 441 | D | 43.5 | Very low | 47.1 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -76.3 | 152.2 | -175.7 | -46 | -63.5 | 0 | 0 | 0 | 112.9 | ||||
| 442 | A | 52.8 | Low | 48.5 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -154.8 | 110.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 443 | E | 44.5 | Very low | 50.2 | Low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -35.6 | 130 | -176.7 | -86.8 | 77.2 | -178.1 | 0 | 0 | 117.3 | ||||
| 444 | G | 45.6 | Very low | 51.9 | Low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | -97.6 | 117.1 | 147 | 0 | 0 | 0 | 0 | 0 | 109 | D446 | G444-D446 PolarHBondContact O-N 3.19Å; G444-D446 VanDerWaalsContact O-N 3.1Å | ||
| 445 | D | 50.1 | Low | 52.7 | Low | 130 Ų | 130 | 132.2 Ų | 132.2 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | -76.8 | 85.5 | 169.8 | -86.5 | -24.6 | 0 | 0 | 0 | 109.6 | F447 | D445-F447 HydrophobicContact CB-CD2 4.24Å; D445-F447 HydrophobicContact CB-CE2 3.87Å; D445-F447 PolarHBondContact O-N 3.23Å | ||
| 446 | D | 59.8 | Low | 54.2 | Low | 158 Ų | 158 | 133.7 Ų | 133.7 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | trans | -83 | 91.9 | 165.1 | -75.7 | -29.8 | 0 | 0 | 0 | 108.8 | G444 E448 | G444-D446 PolarHBondContact O-N 3.19Å; G444-D446 VanDerWaalsContact O-N 3.1Å; D446-E448 PolarHBondContact O-N 2.9Å | ||
| 447 | F | 60.3 | Low | 55.8 | Low | 180 Ų | 180 | 137.1 Ų | 137.1 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | trans | -70.4 | 95.7 | 168.5 | -72.8 | -85.3 | 0 | 0 | 0 | 109.7 | D445 L449 | D445-F447 HydrophobicContact CB-CD2 4.24Å; D445-F447 HydrophobicContact CB-CE2 3.87Å; D445-F447 PolarHBondContact O-N 3.23Å; F447-L449 PolarHBondContact O-N 3.02Å | ||
| 448 | E | 67 | Low | 57.1 | Low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -72 | 113.1 | 169.7 | -139 | 170 | -161.5 | 0 | 0 | 108.9 | D446 L450 | D446-E448 PolarHBondContact O-N 2.9Å; E448-L450 PolarHBondContact O-N 3.03Å; E448-L450 VanDerWaalsContact O-N 3.16Å | ||
| 449 | L | 65.9 | Low | 58.1 | Low | 172 Ų | 172 | 135 Ų | 135 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | trans | -65.8 | 111.1 | 176.9 | -73.7 | 165.6 | 0 | 0 | 0 | 109.3 | F447 D451 | F447-L449 PolarHBondContact O-N 3.02Å; L449-D451 PolarHBondContact O-N 3.41Å | ||
| 450 | L | 67.3 | Low | 58.9 | Low | 127 Ų | 127 | 134 Ų | 134 | 67% | 0.665 | 73% | 0.725 | S | S | * | * | trans | -59.8 | 126.9 | 173.2 | -73 | 164.1 | 0 | 0 | 0 | 110.4 | E448 E454 | E448-L450 PolarHBondContact O-N 3.03Å; E448-L450 VanDerWaalsContact O-N 3.16Å; L450-E454 VanDerWaalsContact CD2-OE2 3.23Å; L450-E454 WeakPolarHBondContact CD2-OE2 3.5Å | ||
| 451 | D | 73.7 | Confident | 59.5 | Low | 106 Ų | 106 | 131.9 Ų | 131.9 | 57% | 0.567 | 72% | 0.722 | S | S | * | * | trans | -67.6 | 141.8 | 177 | -174 | 27 | 0 | 0 | 0 | 110.4 | L449 S453 E454 | L449-D451 PolarHBondContact O-N 3.41Å; D451-S453 PolarHBondContact O-N 3.09Å; D451-S453 PolarHBondContact OD2-OG 3.4Å; D451-E454 PolarHBondContact O-N 3.18Å | ||
| 452 | Q | 63.3 | Low | 59.9 | Low | 162 Ų | 162 | 130.8 Ų | 130.8 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -61.4 | -15.1 | -174.6 | -70.6 | -171.9 | -0.1 | 0 | 0 | 113.4 | ||
| 453 | S | 64.5 | Low | 59.6 | Low | 65 Ų | 65 | 131.5 Ų | 131.5 | 46% | 0.455 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -72.4 | -27.2 | 174.8 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | D451 | D451-S453 PolarHBondContact O-N 3.09Å; D451-S453 PolarHBondContact OD2-OG 3.4Å |
| 454 | E | 69.8 | Low | 59.7 | Low | 110 Ų | 110 | 135.4 Ų | 135.4 | 51% | 0.514 | 73% | 0.732 | S | S | . | * | H | α-helix | trans | -83.7 | -32.5 | 176.9 | -64.2 | -168.4 | 162 | 0 | 0 | 112 | L450 D451 N456 Q457 | L450-E454 VanDerWaalsContact CD2-OE2 3.23Å; L450-E454 WeakPolarHBondContact CD2-OE2 3.5Å; D451-E454 PolarHBondContact O-N 3.18Å; E454-N456 VanDerWaalsContact C-N 3.27Å; E454-N456 PolarHBondContact O-N 3.19Å; E454-Q457 PolarHBondContact O-N 3.37Å |
| 455 | L | 66.6 | Low | 59.5 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 64% | 0.644 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -64 | -33.6 | 175.8 | -143.5 | 88.8 | 0 | 0 | 0 | 112.1 | Q457 L458 | L455-Q457 VanDerWaalsContact C-N 3.29Å; L455-Q457 PolarHBondContact O-N 3.48Å; L455-L458 PolarHBondContact O-N 3.06Å |
| 456 | N | 60.4 | Low | 59 | Low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -10 | 178.8 | -100.1 | -27.2 | 0 | 0 | 0 | 114.2 | E454 | E454-N456 VanDerWaalsContact C-N 3.27Å; E454-N456 PolarHBondContact O-N 3.19Å |
| 457 | Q | 63.4 | Low | 59 | Low | 165 Ų | 165 | 142.3 Ų | 142.3 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -10.8 | 175.2 | -81.3 | -179.3 | 51.6 | 0 | 0 | 113.5 | E454 L455 | E454-Q457 PolarHBondContact O-N 3.37Å; L455-Q457 VanDerWaalsContact C-N 3.29Å; L455-Q457 PolarHBondContact O-N 3.48Å |
| 458 | L | 60.5 | Low | 58.9 | Low | 144 Ų | 144 | 140.3 Ų | 140.3 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -94.4 | 5.9 | -175.7 | -81.4 | 166.3 | 0 | 0 | 0 | 115 | L455 P460 | L455-L458 PolarHBondContact O-N 3.06Å; L458-P460 WeakPolarHBondContact O-CD 3.5Å |
| 459 | D | 57.3 | Low | 58.5 | Low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | trans | -109.1 | 78.4 | 176.6 | -152 | 1.1 | 0 | 0 | 0 | 112.9 | ||||
| 460 | P | 57.6 | Low | 58 | Low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -102.6 | 50 | 170.2 | 40.7 | -33.7 | 0 | 0 | 0 | 111.1 | L458 | L458-P460 WeakPolarHBondContact O-CD 3.5Š| ||
| 461 | A | 56.3 | Low | 57.4 | Low | 90 Ų | 90 | 136.4 Ų | 136.4 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | -163.3 | 60.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 462 | S | 51.2 | Low | 56.4 | Low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -137 | 68.5 | 155.6 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 463 | S | 46.6 | Very low | 55.9 | Low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -153.2 | 131 | 149 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 464 | R | 46.4 | Very low | 55.2 | Low | 247 Ų | 247 | 142.2 Ų | 142.2 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | trans | 84.1 | 120.8 | -177.8 | -66 | 177.6 | 170.8 | 155.7 | -1 | 114 | ||||
| 465 | S | 40.8 | Very low | 54 | Low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | -170.2 | 154.2 | 28.5 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 466 | H | 40.8 | Very low | 52.8 | Low | 261 Ų | 261 | 146.9 Ų | 146.9 | 100% | 1.208 | 81% | 0.806 | S | S | * | * | trans | 87.9 | 0 | 160.5 | -74.2 | -71.6 | 0 | 0 | 0 | 119.9 |
Retrieved 466 of 466 residues in 153.6 ms
(Link to these results)