| 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 | 37.8 | Very low | 35.1 | Very low | 225 Ų | 225 | 101.8 Ų | 101.8 | 100% | 1.108 | 62% | 0.624 | S | S | * | * | 0 | -12.7 | 0 | -112.1 | 82.3 | 162.1 | 0 | 0 | 114.3 | |||||
| 2 | E | 33.2 | Very low | 35 | Very low | 157 Ų | 157 | 100.8 Ų | 100.8 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | trans | -80.4 | -28.4 | -171.4 | -70.8 | -77.5 | 86.6 | 0 | 0 | 115.8 | S4 A5 L6 | E2-S4 VanDerWaalsContact C-N 3.25Å; E2-S4 PolarHBondContact O-N 3.38Å; E2-A5 PolarHBondContact O-N 3.39Å; E2-L6 WeakPolarHBondContact O-CD1 3.36Å | ||
| 3 | A | 30.3 | Very low | 35.4 | Very low | 79 Ų | 79 | 99 Ų | 99 | 65% | 0.653 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.7 | -22.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 4 | S | 32.3 | Very low | 35.8 | Very low | 86 Ų | 86 | 98.5 Ų | 98.5 | 60% | 0.601 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.8 | -21.9 | -176.8 | -54 | 0 | 0 | 0 | 0 | 113.2 | E2 T7 S8 | E2-S4 VanDerWaalsContact C-N 3.25Å; E2-S4 PolarHBondContact O-N 3.38Å; S4-T7 WeakPolarHBondContact O-CG2 3.5Å; S4-S8 WeakPolarHBondContact O-CB 3.4Å; S4-S8 PolarHBondContact O-N 2.96Å |
| 5 | A | 34.9 | Very low | 35.9 | Very low | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -80.6 | -34.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E2 S8 S9 | E2-A5 PolarHBondContact O-N 3.39Å; A5-S8 PolarHBondContact O-N 3.2Å; A5-S9 PolarHBondContact O-N 3.08Å; A5-S9 VanDerWaalsContact O-N 3.08Å; A5-S9 PolarHBondContact O-OG 3.4Å |
| 6 | L | 35.6 | Very low | 35.6 | Very low | 128 Ų | 128 | 99.1 Ų | 99.1 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.2 | -38.6 | 176.3 | -75.1 | 117.7 | 0 | 0 | 0 | 112.1 | E2 A10 | E2-L6 WeakPolarHBondContact O-CD1 3.36Å; L6-A10 WeakPolarHBondContact O-CB 3.34Å; L6-A10 PolarHBondContact O-N 3.48Å |
| 7 | T | 37.8 | Very low | 35.9 | Very low | 89 Ų | 89 | 99.3 Ų | 99.3 | 55% | 0.546 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.4 | -35.7 | 176.6 | -158.7 | 0 | 0 | 0 | 0 | 111.9 | S4 V11 | S4-T7 WeakPolarHBondContact O-CG2 3.5Å; T7-V11 VanDerWaalsContact O-CB 3.31Å; T7-V11 WeakPolarHBondContact O-CB 3.3Å; T7-V11 VanDerWaalsContact O-CG2 3.22Å; T7-V11 WeakPolarHBondContact O-CG2 3.49Å; T7-V11 PolarHBondContact O-N 3.22Å |
| 8 | S | 33.3 | Very low | 36.1 | Very low | 71 Ų | 71 | 98.9 Ų | 98.9 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.7 | -37.5 | 178.3 | -159.6 | 0 | 0 | 0 | 0 | 112.8 | S4 A5 T12 | S4-S8 WeakPolarHBondContact O-CB 3.4Å; S4-S8 PolarHBondContact O-N 2.96Å; A5-S8 PolarHBondContact O-N 3.2Å; S8-T12 WeakPolarHBondContact O-CB 3.4Å; S8-T12 PolarHBondContact O-N 3.1Å; S8-T12 PolarHBondContact O-OG1 3.05Å |
| 9 | S | 33.3 | Very low | 36.2 | Very low | 80 Ų | 80 | 105.1 Ų | 105.1 | 56% | 0.559 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.9 | -37.5 | 175.2 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | A5 T12 S13 | A5-S9 PolarHBondContact O-N 3.08Å; A5-S9 VanDerWaalsContact O-N 3.08Å; A5-S9 PolarHBondContact O-OG 3.4Å; S9-T12 PolarHBondContact O-N 3.26Å; S9-S13 PolarHBondContact O-N 2.8Å |
| 10 | A | 39.8 | Very low | 36.3 | Very low | 56 Ų | 56 | 105.2 Ų | 105.2 | 46% | 0.463 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.8 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L6 T12 S13 V14 | L6-A10 WeakPolarHBondContact O-CB 3.34Å; L6-A10 PolarHBondContact O-N 3.48Å; A10-T12 VanDerWaalsContact C-N 3.33Å; A10-T12 PolarHBondContact O-N 3.12Å; A10-S13 PolarHBondContact O-N 2.96Å; A10-V14 WeakPolarHBondContact O-CB 3.46Å; A10-V14 VanDerWaalsContact O-CG2 3.29Å; A10-V14 WeakPolarHBondContact O-CG2 3.32Å; A10-V14 PolarHBondContact O-N 3.05Å |
| 11 | V | 37.6 | Very low | 36.6 | Very low | 92 Ų | 92 | 101.5 Ų | 101.5 | 56% | 0.558 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -38.2 | 175.9 | 163 | 0 | 0 | 0 | 0 | 111.6 | T7 V14 A15 | T7-V11 VanDerWaalsContact O-CB 3.31Å; T7-V11 WeakPolarHBondContact O-CB 3.3Å; T7-V11 VanDerWaalsContact O-CG2 3.22Å; T7-V11 WeakPolarHBondContact O-CG2 3.49Å; T7-V11 PolarHBondContact O-N 3.22Å; V11-V14 PolarHBondContact O-N 3.04Å; V11-A15 VanDerWaalsContact O-CB 3.28Å; V11-A15 WeakPolarHBondContact O-CB 3.43Å; V11-A15 PolarHBondContact O-N 3.24Å |
| 12 | T | 34.6 | Very low | 36.9 | Very low | 89 Ų | 89 | 96 Ų | 96 | 55% | 0.546 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.4 | -39.1 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 112 | S8 S9 A10 A15 K16 | S8-T12 WeakPolarHBondContact O-CB 3.4Å; S8-T12 PolarHBondContact O-N 3.1Å; S8-T12 PolarHBondContact O-OG1 3.05Å; S9-T12 PolarHBondContact O-N 3.26Å; A10-T12 VanDerWaalsContact C-N 3.33Å; A10-T12 PolarHBondContact O-N 3.12Å; T12-A15 PolarHBondContact O-N 3.39Å; T12-K16 WeakPolarHBondContact O-CB 3.44Å; T12-K16 PolarHBondContact O-N 3.37Å |
| 13 | S | 39.4 | Very low | 37.5 | Very low | 78 Ų | 78 | 90.8 Ų | 90.8 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -40.8 | 173 | -83.8 | 0 | 0 | 0 | 0 | 112.7 | S9 A10 K16 V17 | S9-S13 PolarHBondContact O-N 2.8Å; A10-S13 PolarHBondContact O-N 2.96Å; S13-K16 PolarHBondContact O-N 3.44Å; S13-V17 WeakPolarHBondContact O-CB 3.22Å; S13-V17 WeakPolarHBondContact O-CG2 3.23Å; S13-V17 PolarHBondContact O-N 3.48Å |
| 14 | V | 42 | Very low | 38.2 | Very low | 92 Ų | 92 | 92.2 Ų | 92.2 | 56% | 0.558 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.8 | -41 | 174.6 | 168.3 | 0 | 0 | 0 | 0 | 111 | A10 V11 K16 V17 V18 | A10-V14 WeakPolarHBondContact O-CB 3.46Å; A10-V14 VanDerWaalsContact O-CG2 3.29Å; A10-V14 WeakPolarHBondContact O-CG2 3.32Å; A10-V14 PolarHBondContact O-N 3.05Å; V11-V14 PolarHBondContact O-N 3.04Å; V14-K16 VanDerWaalsContact C-N 3.35Å; V14-K16 PolarHBondContact O-N 3.46Å; V14-V17 PolarHBondContact O-N 2.95Å; V14-V18 HydrophobicContact CG1-CG2 4.43Å; V14-V18 WeakPolarHBondContact O-CB 3.31Å; V14-V18 VanDerWaalsContact O-CG2 3.29Å; V14-V18 WeakPolarHBondContact O-CG2 3.31Å; V14-V18 PolarHBondContact O-N 2.91Å |
| 15 | A | 37.3 | Very low | 38.7 | Very low | 50 Ų | 50 | 92.1 Ų | 92.1 | 41% | 0.413 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65 | -37.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V11 T12 R19 | V11-A15 VanDerWaalsContact O-CB 3.28Å; V11-A15 WeakPolarHBondContact O-CB 3.43Å; V11-A15 PolarHBondContact O-N 3.24Å; T12-A15 PolarHBondContact O-N 3.39Å; A15-R19 VanDerWaalsContact O-CB 3.32Å; A15-R19 WeakPolarHBondContact O-CB 3.18Å; A15-R19 WeakPolarHBondContact O-CG 3.29Å; A15-R19 PolarHBondContact O-N 3.31Å |
| 16 | K | 30.9 | Very low | 39 | Very low | 157 Ų | 157 | 93 Ų | 93 | 68% | 0.683 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.2 | -38.7 | 176 | -156 | 175.9 | -175.2 | 90 | 0 | 111.7 | T12 S13 V14 R19 V20 | T12-K16 WeakPolarHBondContact O-CB 3.44Å; T12-K16 PolarHBondContact O-N 3.37Å; S13-K16 PolarHBondContact O-N 3.44Å; V14-K16 VanDerWaalsContact C-N 3.35Å; V14-K16 PolarHBondContact O-N 3.46Å; K16-R19 PolarHBondContact O-N 2.89Å; K16-V20 VanDerWaalsContact O-CG2 3.29Å; K16-V20 WeakPolarHBondContact O-CG2 3.28Å; K16-V20 PolarHBondContact O-N 3.37Å |
| 17 | V | 40.4 | Very low | 39.3 | Very low | 102 Ų | 102 | 89.2 Ų | 89.2 | 62% | 0.618 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.3 | -43.7 | 172.8 | 162.9 | 0 | 0 | 0 | 0 | 111.6 | S13 V14 V20 A21 | S13-V17 WeakPolarHBondContact O-CB 3.22Å; S13-V17 WeakPolarHBondContact O-CG2 3.23Å; S13-V17 PolarHBondContact O-N 3.48Å; V14-V17 PolarHBondContact O-N 2.95Å; V17-V20 PolarHBondContact O-N 2.83Å; V17-A21 WeakPolarHBondContact O-CB 3.45Å; V17-A21 PolarHBondContact O-N 2.89Å |
| 18 | V | 38.6 | Very low | 39.6 | Very low | 93 Ų | 93 | 91.2 Ų | 91.2 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.7 | -37.2 | 177 | 166.1 | 0 | 0 | 0 | 0 | 111.8 | V14 A21 S22 | V14-V18 HydrophobicContact CG1-CG2 4.43Å; V14-V18 WeakPolarHBondContact O-CB 3.31Å; V14-V18 VanDerWaalsContact O-CG2 3.29Å; V14-V18 WeakPolarHBondContact O-CG2 3.31Å; V14-V18 PolarHBondContact O-N 2.91Å; V18-A21 PolarHBondContact O-N 2.85Å; V18-S22 PolarHBondContact O-N 3.36Å |
| 19 | R | 38.5 | Very low | 40.1 | Very low | 215 Ų | 215 | 91.3 Ų | 91.3 | 81% | 0.811 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.9 | -33.2 | 174.2 | -75.7 | -75.3 | -163.9 | 154.7 | 4.2 | 112.6 | A15 K16 | A15-R19 VanDerWaalsContact O-CB 3.32Å; A15-R19 WeakPolarHBondContact O-CB 3.18Å; A15-R19 WeakPolarHBondContact O-CG 3.29Å; A15-R19 PolarHBondContact O-N 3.31Å; K16-R19 PolarHBondContact O-N 2.89Å |
| 20 | V | 39.4 | Very low | 40.6 | Very low | 107 Ų | 107 | 92.7 Ų | 92.7 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.8 | -33.3 | 171.6 | 169 | 0 | 0 | 0 | 0 | 111.3 | K16 V17 S22 G23 | K16-V20 VanDerWaalsContact O-CG2 3.29Å; K16-V20 WeakPolarHBondContact O-CG2 3.28Å; K16-V20 PolarHBondContact O-N 3.37Å; V17-V20 PolarHBondContact O-N 2.83Å; V20-S22 VanDerWaalsContact C-N 3.26Å; V20-S22 PolarHBondContact O-N 3.43Å; V20-G23 PolarHBondContact O-N 2.89Å |
| 21 | A | 41.6 | Very low | 40.9 | Very low | 28 Ų | 28 | 93.6 Ų | 93.6 | 23% | 0.231 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -72.4 | -13.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V17 V18 G23 V26 | V17-A21 WeakPolarHBondContact O-CB 3.45Å; V17-A21 PolarHBondContact O-N 2.89Å; V18-A21 PolarHBondContact O-N 2.85Å; A21-G23 PolarHBondContact O-N 2.78Å; A21-V26 HydrophobicContact CB-CG2 4.26Å |
| 22 | S | 43.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 93.9 Ų | 93.9 | 78% | 0.776 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -8.7 | 175.4 | -167.7 | 0 | 0 | 0 | 0 | 113.2 | V18 V20 | V18-S22 PolarHBondContact O-N 3.36Å; V20-S22 VanDerWaalsContact C-N 3.26Å; V20-S22 PolarHBondContact O-N 3.43Å |
| 23 | G | 46.6 | Very low | 41.6 | Very low | 46 Ų | 46 | 92 Ų | 92 | 47% | 0.474 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -122.7 | 108.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V20 A21 | V20-G23 PolarHBondContact O-N 2.89Å; A21-G23 PolarHBondContact O-N 2.78Å |
| 24 | S | 43.8 | Very low | 41.9 | Very low | 109 Ų | 109 | 93.9 Ų | 93.9 | 76% | 0.762 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 75.1 | 121.4 | 158.5 | -55.9 | 0 | 0 | 0 | 0 | 118.8 | V26 | S24-V26 VanDerWaalsContact C-N 3.31Å; S24-V26 PolarHBondContact O-N 2.93Å |
| 25 | A | 43.7 | Very low | 42.3 | Very low | 84 Ų | 84 | 92 Ų | 92 | 69% | 0.694 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 64.7 | -13 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | P29 | A25-P29 VanDerWaalsContact O-CD 3.23Å; A25-P29 WeakPolarHBondContact O-CD 3.28Å |
| 26 | V | 40.5 | Very low | 42.4 | Very low | 76 Ų | 76 | 91.8 Ų | 91.8 | 46% | 0.461 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -93.9 | -12.9 | -177.9 | -78 | 0 | 0 | 0 | 0 | 115.5 | A21 S24 P29 L30 | A21-V26 HydrophobicContact CB-CG2 4.26Å; S24-V26 VanDerWaalsContact C-N 3.31Å; S24-V26 PolarHBondContact O-N 2.93Å; V26-P29 WeakPolarHBondContact O-CD 3.32Å; V26-P29 WeakPolarHBondContact O-CG 3.31Å; V26-L30 VanDerWaalsContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CB 3.14Å; V26-L30 PolarHBondContact O-N 3.16Å |
| 27 | V | 42.8 | Very low | 43 | Very low | 49 Ų | 49 | 89 Ų | 89 | 30% | 0.297 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | -178.2 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | V31 F95 | V27-V31 WeakPolarHBondContact O-CB 3.23Å; V27-V31 VanDerWaalsContact O-CG2 3.31Å; V27-V31 WeakPolarHBondContact O-CG2 3.28Å; V27-V31 PolarHBondContact O-N 3.39Å; V27-F95 HydrophobicContact CB-CE2 4.03Å; V27-F95 HydrophobicContact CB-CZ 3.92Å; V27-F95 HydrophobicContact CG1-CE2 3.65Å; V27-F95 HydrophobicContact CG1-CZ 4.09Å |
| 28 | L | 44.2 | Very low | 43.2 | Very low | 130 Ų | 130 | 87.5 Ų | 87.5 | 68% | 0.681 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -51.3 | 176.9 | -69.1 | 161.6 | 0 | 0 | 0 | 112.3 | L30 V31 V32 | L28-L30 VanDerWaalsContact C-N 3.28Å; L28-L30 PolarHBondContact O-N 2.95Å; L28-V31 PolarHBondContact O-N 2.87Å; L28-V32 WeakPolarHBondContact O-CB 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.32Å; L28-V32 PolarHBondContact O-N 2.95Å |
| 29 | P | 43.2 | Very low | 43.7 | Very low | 74 Ų | 74 | 89.9 Ų | 89.9 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.8 | -29 | 178.2 | 24.3 | -33.4 | 0 | 0 | 0 | 112.8 | A25 V26 A33 | A25-P29 VanDerWaalsContact O-CD 3.23Å; A25-P29 WeakPolarHBondContact O-CD 3.28Å; V26-P29 WeakPolarHBondContact O-CD 3.32Å; V26-P29 WeakPolarHBondContact O-CG 3.31Å; P29-A33 VanDerWaalsContact O-CB 3.28Å; P29-A33 WeakPolarHBondContact O-CB 3.29Å; P29-A33 PolarHBondContact O-N 3.47Å |
| 30 | L | 44.9 | Very low | 44 | Very low | 108 Ų | 108 | 84.3 Ų | 84.3 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.5 | -41.1 | 176.2 | -175.5 | 60.3 | 0 | 0 | 0 | 112.4 | V26 L28 A33 M34 | V26-L30 VanDerWaalsContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CB 3.14Å; V26-L30 PolarHBondContact O-N 3.16Å; L28-L30 VanDerWaalsContact C-N 3.28Å; L28-L30 PolarHBondContact O-N 2.95Å; L30-A33 PolarHBondContact O-N 3.5Å; L30-M34 WeakPolarHBondContact O-CB 3.38Å; L30-M34 PolarHBondContact O-N 3.43Å |
| 31 | V | 44.7 | Very low | 44.2 | Very low | 75 Ų | 75 | 83.8 Ų | 83.8 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 172.8 | 165.7 | 0 | 0 | 0 | 0 | 111 | V27 L28 M34 A35 F95 | V27-V31 WeakPolarHBondContact O-CB 3.23Å; V27-V31 VanDerWaalsContact O-CG2 3.31Å; V27-V31 WeakPolarHBondContact O-CG2 3.28Å; V27-V31 PolarHBondContact O-N 3.39Å; L28-V31 PolarHBondContact O-N 2.87Å; V31-M34 PolarHBondContact O-N 3.16Å; V31-A35 WeakPolarHBondContact O-CB 3.17Å; V31-A35 PolarHBondContact O-N 2.87Å; V31-F95 HydrophobicContact CG2-CE1 4.17Å |
| 32 | V | 46.1 | Very low | 44.3 | Very low | 98 Ų | 98 | 85.6 Ų | 85.6 | 59% | 0.594 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 176 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L28 M34 A35 A36 | L28-V32 WeakPolarHBondContact O-CB 3.29Å; L28-V32 WeakPolarHBondContact O-CG2 3.32Å; L28-V32 PolarHBondContact O-N 2.95Å; V32-M34 VanDerWaalsContact C-N 3.35Å; V32-M34 PolarHBondContact O-N 3.31Å; V32-A35 PolarHBondContact O-N 3.46Å; V32-A36 WeakPolarHBondContact O-CB 3.39Å; V32-A36 PolarHBondContact O-N 3.37Å |
| 33 | A | 42.2 | Very low | 44.3 | Very low | 50 Ų | 50 | 84.7 Ų | 84.7 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P29 L30 A35 A36 V37 | P29-A33 VanDerWaalsContact O-CB 3.28Å; P29-A33 WeakPolarHBondContact O-CB 3.29Å; P29-A33 PolarHBondContact O-N 3.47Å; L30-A33 PolarHBondContact O-N 3.5Å; A33-A35 VanDerWaalsContact C-N 3.28Å; A33-A35 PolarHBondContact O-N 2.88Å; A33-A36 PolarHBondContact O-N 2.96Å; A33-V37 VanDerWaalsContact O-CG2 3.31Å; A33-V37 WeakPolarHBondContact O-CG2 3.34Å; A33-V37 PolarHBondContact O-N 2.92Å |
| 34 | M | 45.7 | Very low | 44 | Very low | 117 Ų | 117 | 89.9 Ų | 89.9 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.8 | -23.1 | 176.6 | -153.3 | 100.1 | 75.8 | 0 | 0 | 113.3 | L30 V31 V32 P38 | L30-M34 WeakPolarHBondContact O-CB 3.38Å; L30-M34 PolarHBondContact O-N 3.43Å; V31-M34 PolarHBondContact O-N 3.16Å; V32-M34 VanDerWaalsContact C-N 3.35Å; V32-M34 PolarHBondContact O-N 3.31Å; M34-P38 WeakPolarHBondContact O-CD 3.3Å; M34-P38 VanDerWaalsContact O-CG 3.22Å; M34-P38 WeakPolarHBondContact O-CG 3.46Å |
| 35 | A | 48.6 | Very low | 44.1 | Very low | 53 Ų | 53 | 87.1 Ų | 87.1 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -85 | -30.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | V31 V32 A33 P38 M39 | V31-A35 WeakPolarHBondContact O-CB 3.17Å; V31-A35 PolarHBondContact O-N 2.87Å; V32-A35 PolarHBondContact O-N 3.46Å; A33-A35 VanDerWaalsContact C-N 3.28Å; A33-A35 PolarHBondContact O-N 2.88Å; A35-P38 WeakPolarHBondContact O-CD 3.18Å; A35-M39 WeakPolarHBondContact O-CG 3.48Å; A35-M39 PolarHBondContact O-N 3.5Å |
| 36 | A | 40.8 | Very low | 44.1 | Very low | 46 Ų | 46 | 89.9 Ų | 89.9 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.5 | -36.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V32 A33 M39 V40 | V32-A36 WeakPolarHBondContact O-CB 3.39Å; V32-A36 PolarHBondContact O-N 3.37Å; A33-A36 PolarHBondContact O-N 2.96Å; A36-M39 PolarHBondContact O-N 3.31Å; A36-M39 VanDerWaalsContact O-N 3.16Å; A36-V40 VanDerWaalsContact O-CG2 3.32Å; A36-V40 WeakPolarHBondContact O-CG2 3.35Å; A36-V40 PolarHBondContact O-N 3.4Å |
| 37 | V | 43.5 | Very low | 44.2 | Very low | 99 Ų | 99 | 90.8 Ų | 90.8 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.6 | -47.9 | 178.6 | 169.6 | 0 | 0 | 0 | 0 | 112.4 | A33 M39 L41 | A33-V37 VanDerWaalsContact O-CG2 3.31Å; A33-V37 WeakPolarHBondContact O-CG2 3.34Å; A33-V37 PolarHBondContact O-N 2.92Å; V37-M39 VanDerWaalsContact C-N 3.34Å; V37-M39 PolarHBondContact O-N 3.36Å; V37-L41 WeakPolarHBondContact O-CB 3.23Å; V37-L41 PolarHBondContact O-N 2.87Å |
| 38 | P | 45.1 | Very low | 44.1 | Very low | 69 Ų | 69 | 93.8 Ų | 93.8 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -35.4 | 171.7 | -22.6 | 30.8 | 0 | 0 | 0 | 113.5 | M34 A35 L41 S42 | M34-P38 WeakPolarHBondContact O-CD 3.3Å; M34-P38 VanDerWaalsContact O-CG 3.22Å; M34-P38 WeakPolarHBondContact O-CG 3.46Å; A35-P38 WeakPolarHBondContact O-CD 3.18Å; P38-L41 PolarHBondContact O-N 3.48Å; P38-S42 WeakPolarHBondContact O-CA 3.22Å; P38-S42 WeakPolarHBondContact O-CB 3.41Å; P38-S42 PolarHBondContact O-N 3.37Å |
| 39 | M | 47.4 | Very low | 43.8 | Very low | 144 Ų | 144 | 92 Ų | 92 | 71% | 0.709 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.3 | -40.7 | -179.8 | -67.9 | -107.4 | -117.8 | 0 | 0 | 112 | A35 A36 V37 L41 S42 A43 | A35-M39 WeakPolarHBondContact O-CG 3.48Å; A35-M39 PolarHBondContact O-N 3.5Å; A36-M39 PolarHBondContact O-N 3.31Å; A36-M39 VanDerWaalsContact O-N 3.16Å; V37-M39 VanDerWaalsContact C-N 3.34Å; V37-M39 PolarHBondContact O-N 3.36Å; M39-L41 VanDerWaalsContact C-N 3.35Å; M39-S42 PolarHBondContact O-N 3.31Å; M39-A43 VanDerWaalsContact O-CB 3.29Å; M39-A43 WeakPolarHBondContact O-CB 3.4Å; M39-A43 PolarHBondContact O-N 2.95Å |
| 40 | V | 46.2 | Very low | 43.5 | Very low | 97 Ų | 97 | 90.6 Ų | 90.6 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.4 | -36 | 174.2 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | A36 M44 | A36-V40 VanDerWaalsContact O-CG2 3.32Å; A36-V40 WeakPolarHBondContact O-CG2 3.35Å; A36-V40 PolarHBondContact O-N 3.4Å; V40-M44 VanDerWaalsContact O-CB 3.23Å; V40-M44 WeakPolarHBondContact O-CB 3.49Å; V40-M44 VanDerWaalsContact O-CG 3.3Å; V40-M44 WeakPolarHBondContact O-CG 3.44Å; V40-M44 PolarHBondContact O-N 3.26Å |
| 41 | L | 43.6 | Very low | 43.7 | Very low | 97 Ų | 97 | 91.8 Ų | 91.8 | 51% | 0.508 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72 | -32.6 | 175.1 | -172 | 60.8 | 0 | 0 | 0 | 113 | V37 P38 M39 M44 G45 F46 | V37-L41 WeakPolarHBondContact O-CB 3.23Å; V37-L41 PolarHBondContact O-N 2.87Å; P38-L41 PolarHBondContact O-N 3.48Å; M39-L41 VanDerWaalsContact C-N 3.35Å; L41-M44 CarbonylContact O-C 3.37Å; L41-M44 PolarHBondContact O-N 2.81Å; L41-G45 PolarHBondContact O-N 2.91Å; L41-F46 PolarHBondContact O-N 2.98Å |
| 42 | S | 42.5 | Very low | 43.3 | Very low | 65 Ų | 65 | 92.2 Ų | 92.2 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -77.1 | -36.2 | 176.3 | -163.7 | 0 | 0 | 0 | 0 | 111.4 | P38 M39 M44 G45 | P38-S42 WeakPolarHBondContact O-CA 3.22Å; P38-S42 WeakPolarHBondContact O-CB 3.41Å; P38-S42 PolarHBondContact O-N 3.37Å; M39-S42 PolarHBondContact O-N 3.31Å; S42-M44 VanDerWaalsContact C-N 3.29Å; S42-M44 PolarHBondContact O-N 2.81Å; S42-G45 PolarHBondContact O-N 3.35Å; S42-G45 VanDerWaalsContact O-N 3.16Å |
| 43 | A | 44.4 | Very low | 43.2 | Very low | 92 Ų | 92 | 92.7 Ų | 92.7 | 76% | 0.76 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.5 | -30.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M39 G45 | M39-A43 VanDerWaalsContact O-CB 3.29Å; M39-A43 WeakPolarHBondContact O-CB 3.4Å; M39-A43 PolarHBondContact O-N 2.95Å; A43-G45 PolarHBondContact O-N 3.43Å |
| 44 | M | 40.9 | Very low | 43.5 | Very low | 155 Ų | 155 | 95.7 Ų | 95.7 | 76% | 0.764 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 19.2 | 170 | -81.5 | -88.9 | -70.8 | 0 | 0 | 113.8 | V40 L41 S42 | V40-M44 VanDerWaalsContact O-CB 3.23Å; V40-M44 WeakPolarHBondContact O-CB 3.49Å; V40-M44 VanDerWaalsContact O-CG 3.3Å; V40-M44 WeakPolarHBondContact O-CG 3.44Å; V40-M44 PolarHBondContact O-N 3.26Å; L41-M44 CarbonylContact O-C 3.37Å; L41-M44 PolarHBondContact O-N 2.81Å; S42-M44 VanDerWaalsContact C-N 3.29Å; S42-M44 PolarHBondContact O-N 2.81Å |
| 45 | G | 44.7 | Very low | 43.8 | Very low | 52 Ų | 52 | 93.6 Ų | 93.6 | 54% | 0.536 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 91.6 | 18.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117 | L41 S42 A43 | L41-G45 PolarHBondContact O-N 2.91Å; S42-G45 PolarHBondContact O-N 3.35Å; S42-G45 VanDerWaalsContact O-N 3.16Å; A43-G45 PolarHBondContact O-N 3.43Å |
| 46 | F | 43.8 | Very low | 43.5 | Very low | 141 Ų | 141 | 98.1 Ų | 98.1 | 62% | 0.618 | 63% | 0.633 | S | S | * | * | trans | -100 | 76.7 | 168.1 | -105.3 | -89.7 | 0 | 0 | 0 | 110.9 | L41 I51 | L41-F46 PolarHBondContact O-N 2.98Å; F46-I51 HydrophobicContact CD1-CD1 4.47Å; F46-I51 HydrophobicContact CD2-CD1 4.45Å; F46-I51 HydrophobicContact CE1-CD1 4.01Å; F46-I51 HydrophobicContact CE2-CD1 3.99Å; F46-I51 HydrophobicContact CZ-CD1 3.76Å | ||
| 47 | T | 43.4 | Very low | 43.4 | Very low | 96 Ų | 96 | 99.8 Ų | 99.8 | 59% | 0.589 | 65% | 0.647 | S | S | * | * | trans | -97.1 | 144.7 | 171.6 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | A49 G50 | T47-A49 PolarHBondContact O-N 2.91Å; T47-G50 PolarHBondContact O-N 3.2Å | ||
| 48 | A | 40 | Very low | 43.2 | Very low | 112 Ų | 112 | 98.1 Ų | 98.1 | 93% | 0.926 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 4.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 49 | A | 37.4 | Very low | 42.9 | Very low | 93 Ų | 93 | 102.7 Ų | 102.7 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 5.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T47 | T47-A49 PolarHBondContact O-N 2.91Š|
| 50 | G | 38.1 | Very low | 42.6 | Very low | 44 Ų | 44 | 103 Ų | 103 | 45% | 0.454 | 66% | 0.658 | S | S | . | * | trans | 108.2 | 153.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T47 A52 | T47-G50 PolarHBondContact O-N 3.2Å; G50-A52 PolarHBondContact O-N 2.8Å | ||
| 51 | I | 48.5 | Very low | 42.3 | Very low | 132 Ų | 132 | 105.1 Ų | 105.1 | 68% | 0.677 | 66% | 0.663 | S | S | * | * | trans | -59.9 | 74.6 | 157.5 | -59.8 | -68.1 | 0 | 0 | 0 | 106.6 | F46 S53 | F46-I51 HydrophobicContact CD1-CD1 4.47Å; F46-I51 HydrophobicContact CD2-CD1 4.45Å; F46-I51 HydrophobicContact CE1-CD1 4.01Å; F46-I51 HydrophobicContact CE2-CD1 3.99Å; F46-I51 HydrophobicContact CZ-CD1 3.76Å; I51-S53 VanDerWaalsContact C-N 3.29Å; I51-S53 PolarHBondContact O-N 3.37Å | ||
| 52 | A | 36.8 | Very low | 42 | Very low | 85 Ų | 85 | 104.6 Ų | 104.6 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | trans | -84.2 | 86.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | G50 | G50-A52 PolarHBondContact O-N 2.8Š| ||
| 53 | S | 44.6 | Very low | 41.8 | Very low | 107 Ų | 107 | 105 Ų | 105 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 52.9 | 103.9 | 146.7 | -159.6 | 0 | 0 | 0 | 0 | 117.2 | I51 | I51-S53 VanDerWaalsContact C-N 3.29Å; I51-S53 PolarHBondContact O-N 3.37Å |
| 54 | S | 48.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 104.4 Ų | 104.4 | 79% | 0.79 | 67% | 0.669 | S | S | * | * | trans | 74.9 | 125.3 | 161.5 | -140.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 55 | S | 50.3 | Low | 41.6 | Very low | 74 Ų | 74 | 100.3 Ų | 100.3 | 52% | 0.517 | 66% | 0.661 | S | S | . | * | S | Bend | cis | -178.2 | 118.8 | 22.3 | -173.9 | 0 | 0 | 0 | 0 | 109 | ||
| 56 | I | 42.3 | Very low | 41.6 | Very low | 148 Ų | 148 | 104.9 Ų | 104.9 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -166.1 | -24.1 | 140.1 | -104.9 | 169.2 | 0 | 0 | 0 | 108.6 | ||
| 57 | A | 39.6 | Very low | 41.6 | Very low | 80 Ų | 80 | 102 Ų | 102 | 66% | 0.661 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -69 | -29.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K59 M60 M61 | A57-K59 VanDerWaalsContact C-N 3.34Å; A57-K59 PolarHBondContact O-N 2.94Å; A57-M60 PolarHBondContact O-N 3.38Å; A57-M61 WeakPolarHBondContact O-CB 3.35Å; A57-M61 PolarHBondContact O-N 3.25Å |
| 58 | A | 38 | Very low | 41.5 | Very low | 64 Ų | 64 | 104.9 Ų | 104.9 | 53% | 0.529 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -29.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 59 | K | 39.7 | Very low | 41.8 | Very low | 165 Ų | 165 | 103 Ų | 103 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -9.6 | 179.2 | -72.3 | -177.9 | 74.3 | -95 | 0 | 114.3 | A57 | A57-K59 VanDerWaalsContact C-N 3.34Å; A57-K59 PolarHBondContact O-N 2.94Å |
| 60 | M | 41.5 | Very low | 42.3 | Very low | 151 Ų | 151 | 102.8 Ų | 102.8 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -14.2 | 174.2 | -79.2 | -91.8 | 110.1 | 0 | 0 | 112.8 | A57 S62 | A57-M60 PolarHBondContact O-N 3.38Å; M60-S62 VanDerWaalsContact C-N 3.29Å |
| 61 | M | 40.1 | Very low | 42.6 | Very low | 142 Ų | 142 | 104.1 Ų | 104.1 | 70% | 0.7 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -85.9 | 0.4 | 164.4 | -162.5 | 171.4 | 179.6 | 0 | 0 | 112.7 | A57 A63 | A57-M61 WeakPolarHBondContact O-CB 3.35Å; A57-M61 PolarHBondContact O-N 3.25Å; M61-A63 VanDerWaalsContact C-N 3.3Å |
| 62 | S | 36.6 | Very low | 42.7 | Very low | 85 Ų | 85 | 104.1 Ų | 104.1 | 59% | 0.594 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -81.9 | -2.5 | 169.6 | -169.2 | 0 | 0 | 0 | 0 | 113.8 | M60 | M60-S62 VanDerWaalsContact C-N 3.29Å |
| 63 | A | 37.5 | Very low | 42.9 | Very low | 73 Ų | 73 | 103.9 Ų | 103.9 | 60% | 0.603 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -116.9 | -24.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | M61 | M61-A63 VanDerWaalsContact C-N 3.3Å |
| 64 | A | 38.2 | Very low | 42.9 | Very low | 80 Ų | 80 | 105.3 Ų | 105.3 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -94.3 | -13.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 65 | A | 43.6 | Very low | 43 | Very low | 70 Ų | 70 | 103.4 Ų | 103.4 | 58% | 0.579 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -83.7 | -12 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 66 | I | 45.7 | Very low | 42.8 | Very low | 148 Ų | 148 | 102.2 Ų | 102.2 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -98.4 | -18.6 | -171.7 | -58.2 | -180 | 0 | 0 | 0 | 113.2 | ||
| 67 | A | 42.2 | Very low | 42.9 | Very low | 79 Ų | 79 | 101.1 Ų | 101.1 | 65% | 0.653 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -105.2 | -15.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 68 | N | 43.1 | Very low | 43.1 | Very low | 157 Ų | 157 | 102 Ų | 102 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -142.4 | 69.4 | 178.7 | -83.7 | -64.7 | 0 | 0 | 0 | 111.9 | ||
| 69 | G | 45 | Very low | 43.3 | Very low | 72 Ų | 72 | 101.9 Ų | 101.9 | 74% | 0.742 | 69% | 0.692 | S | S | * | * | trans | -45.4 | 137.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 70 | G | 49 | Very low | 43.7 | Very low | 89 Ų | 89 | 97.9 Ų | 97.9 | 92% | 0.918 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 62.1 | 83.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 71 | G | 44.8 | Very low | 44.1 | Very low | 72 Ų | 72 | 96.1 Ų | 96.1 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | trans | 148.6 | 121.2 | 160 | 0 | 0 | 0 | 0 | 0 | 113.5 | A73 | G71-A73 PolarHBondContact O-N 2.95Å; G71-A73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | V | 48.7 | Very low | 44.6 | Very low | 133 Ų | 133 | 96.3 Ų | 96.3 | 81% | 0.806 | 67% | 0.674 | S | S | * | * | trans | -50 | 115.1 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | S74 | V72-S74 PolarHBondContact O-N 3.49Š| ||
| 73 | A | 40.9 | Very low | 45.1 | Very low | 79 Ų | 79 | 95.5 Ų | 95.5 | 65% | 0.653 | 67% | 0.668 | S | S | * | * | trans | -63.3 | 121.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G71 G75 S76 | G71-A73 PolarHBondContact O-N 2.95Å; G71-A73 VanDerWaalsContact O-N 3.12Å; A73-G75 PolarHBondContact O-N 2.92Å; A73-G75 VanDerWaalsContact O-N 3.1Å; A73-S76 PolarHBondContact O-N 2.99Å | ||
| 74 | S | 45.1 | Very low | 45.6 | Very low | 137 Ų | 137 | 97.1 Ų | 97.1 | 96% | 0.958 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 108.6 | 169.4 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | V72 | V72-S74 PolarHBondContact O-N 3.49Š|
| 75 | G | 50.9 | Low | 46.4 | Very low | 74 Ų | 74 | 95.2 Ų | 95.2 | 76% | 0.763 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.4 | 2.7 | -168 | 0 | 0 | 0 | 0 | 0 | 114.9 | A73 | A73-G75 PolarHBondContact O-N 2.92Å; A73-G75 VanDerWaalsContact O-N 3.1Å |
| 76 | S | 45.4 | Very low | 46.6 | Very low | 49 Ų | 49 | 95 Ų | 95 | 34% | 0.343 | 65% | 0.653 | S | S | . | * | trans | -57 | 142.6 | -174.9 | -177.7 | 0 | 0 | 0 | 0 | 116 | A73 V78 A79 | A73-S76 PolarHBondContact O-N 2.99Å; S76-V78 PolarHBondContact O-N 3.42Å; S76-A79 PolarHBondContact O-N 3.24Å | ||
| 77 | L | 45.2 | Very low | 46.9 | Very low | 125 Ų | 125 | 92.3 Ų | 92.3 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -21.4 | -32.1 | 161 | 178 | 58.9 | 0 | 0 | 0 | 116.9 | T80 L81 | L77-T80 PolarHBondContact O-N 3.26Å; L77-L81 HydrophobicContact CD1-CD1 4.32Å; L77-L81 WeakPolarHBondContact O-CB 3.22Å; L77-L81 PolarHBondContact O-N 3.44Å |
| 78 | V | 43.2 | Very low | 47.5 | Very low | 98 Ų | 98 | 90.2 Ų | 90.2 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.8 | -40.7 | 175.8 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | S76 L81 Q82 | S76-V78 PolarHBondContact O-N 3.42Å; V78-L81 PolarHBondContact O-N 2.88Å; V78-Q82 VanDerWaalsContact O-CB 3.28Å; V78-Q82 WeakPolarHBondContact O-CB 3.43Å; V78-Q82 PolarHBondContact O-N 2.87Å |
| 79 | A | 43.5 | Very low | 47.9 | Very low | 62 Ų | 62 | 88.1 Ų | 88.1 | 51% | 0.512 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.3 | -34.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S76 S83 | S76-A79 PolarHBondContact O-N 3.24Å; A79-S83 VanDerWaalsContact O-CB 3.23Å; A79-S83 WeakPolarHBondContact O-CB 3.48Å; A79-S83 PolarHBondContact O-N 3.04Å |
| 80 | T | 48.4 | Very low | 48.3 | Very low | 80 Ų | 80 | 87.5 Ų | 87.5 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.2 | -39.9 | 173.5 | -44.7 | 0 | 0 | 0 | 0 | 111.2 | L77 S83 L84 | L77-T80 PolarHBondContact O-N 3.26Å; T80-S83 PolarHBondContact O-N 3.44Å; T80-L84 HydrophobicContact CG2-CD1 4.06Å; T80-L84 HydrophobicContact CG2-CG 4.41Å; T80-L84 VanDerWaalsContact O-CB 3.31Å; T80-L84 WeakPolarHBondContact O-CB 2.84Å; T80-L84 WeakPolarHBondContact O-CG 3.15Å; T80-L84 PolarHBondContact O-N 3.41Å |
| 81 | L | 48.3 | Very low | 48.8 | Very low | 115 Ų | 115 | 85.1 Ų | 85.1 | 60% | 0.602 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.6 | -34.9 | 174.5 | -124.1 | 67.6 | 0 | 0 | 0 | 112.5 | L77 V78 G85 | L77-L81 HydrophobicContact CD1-CD1 4.32Å; L77-L81 WeakPolarHBondContact O-CB 3.22Å; L77-L81 PolarHBondContact O-N 3.44Å; V78-L81 PolarHBondContact O-N 2.88Å; L81-G85 WeakPolarHBondContact O-CA 3.29Å; L81-G85 PolarHBondContact O-N 2.91Å |
| 82 | Q | 51.3 | Low | 49.3 | Very low | 145 Ų | 145 | 85.4 Ų | 85.4 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.7 | -35.5 | 175.2 | -152.7 | 179.3 | -11.7 | 0 | 0 | 111.3 | V78 A86 | V78-Q82 VanDerWaalsContact O-CB 3.28Å; V78-Q82 WeakPolarHBondContact O-CB 3.43Å; V78-Q82 PolarHBondContact O-N 2.87Å; Q82-A86 WeakPolarHBondContact O-CB 3.02Å; Q82-A86 PolarHBondContact O-N 2.75Å |
| 83 | S | 47.9 | Very low | 49.6 | Very low | 69 Ų | 69 | 82.9 Ų | 82.9 | 48% | 0.483 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.7 | -50.1 | 173.2 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | A79 T80 G85 A86 T87 | A79-S83 VanDerWaalsContact O-CB 3.23Å; A79-S83 WeakPolarHBondContact O-CB 3.48Å; A79-S83 PolarHBondContact O-N 3.04Å; T80-S83 PolarHBondContact O-N 3.44Å; S83-G85 VanDerWaalsContact C-N 3.32Å; S83-G85 PolarHBondContact O-N 2.68Å; S83-A86 PolarHBondContact O-N 3.45Å; S83-T87 WeakPolarHBondContact O-CB 3.31Å; S83-T87 PolarHBondContact O-N 3.07Å; S83-T87 PolarHBondContact O-OG1 3.31Å |
| 84 | L | 48 | Very low | 50.5 | Low | 107 Ų | 107 | 86.1 Ų | 86.1 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65 | -34 | 175 | -66.9 | 171.9 | 0 | 0 | 0 | 112.5 | T80 G88 | T80-L84 HydrophobicContact CG2-CD1 4.06Å; T80-L84 HydrophobicContact CG2-CG 4.41Å; T80-L84 VanDerWaalsContact O-CB 3.31Å; T80-L84 WeakPolarHBondContact O-CB 2.84Å; T80-L84 WeakPolarHBondContact O-CG 3.15Å; T80-L84 PolarHBondContact O-N 3.41Å; L84-G88 WeakPolarHBondContact O-CA 3.3Å; L84-G88 PolarHBondContact O-N 3.39Å |
| 85 | G | 54 | Low | 51.3 | Low | 39 Ų | 39 | 83.7 Ų | 83.7 | 40% | 0.402 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L81 S83 L89 | L81-G85 WeakPolarHBondContact O-CA 3.29Å; L81-G85 PolarHBondContact O-N 2.91Å; S83-G85 VanDerWaalsContact C-N 3.32Å; S83-G85 PolarHBondContact O-N 2.68Å; G85-L89 WeakPolarHBondContact O-CB 3.4Å; G85-L89 PolarHBondContact O-N 3.45Å |
| 86 | A | 47.9 | Very low | 52 | Low | 67 Ų | 67 | 84.1 Ų | 84.1 | 55% | 0.554 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -78.1 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q82 S83 S90 | Q82-A86 WeakPolarHBondContact O-CB 3.02Å; Q82-A86 PolarHBondContact O-N 2.75Å; S83-A86 PolarHBondContact O-N 3.45Å; A86-S90 WeakPolarHBondContact O-CB 3.48Å; A86-S90 PolarHBondContact O-N 3.01Å |
| 87 | T | 53 | Low | 53.2 | Low | 90 Ų | 90 | 87.5 Ų | 87.5 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -82.9 | -35.2 | -178.7 | 61 | 0 | 0 | 0 | 0 | 112.9 | S83 G91 | S83-T87 WeakPolarHBondContact O-CB 3.31Å; S83-T87 PolarHBondContact O-N 3.07Å; S83-T87 PolarHBondContact O-OG1 3.31Å; T87-G91 PolarHBondContact O-N 2.9Å |
| 88 | G | 53.2 | Low | 54.6 | Low | 36 Ų | 36 | 83.7 Ų | 83.7 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L84 L92 | L84-G88 WeakPolarHBondContact O-CA 3.3Å; L84-G88 PolarHBondContact O-N 3.39Å; G88-L92 WeakPolarHBondContact O-CB 3.43Å; G88-L92 PolarHBondContact O-N 3.27Å |
| 89 | L | 52.3 | Low | 55.9 | Low | 113 Ų | 113 | 81.6 Ų | 81.6 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.8 | -41.9 | 175.3 | -167.8 | 67.6 | 0 | 0 | 0 | 111.3 | G85 G91 L92 T93 | G85-L89 WeakPolarHBondContact O-CB 3.4Å; G85-L89 PolarHBondContact O-N 3.45Å; L89-G91 PolarHBondContact O-N 2.84Å; L89-L92 PolarHBondContact O-N 2.92Å; L89-T93 WeakPolarHBondContact O-CB 3.13Å; L89-T93 PolarHBondContact O-N 2.98Å; L89-T93 PolarHBondContact O-OG1 3.48Å |
| 90 | S | 53.7 | Low | 57.3 | Low | 59 Ų | 59 | 82.9 Ų | 82.9 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -36.6 | 177.4 | -162.8 | 0 | 0 | 0 | 0 | 112.6 | A86 K94 | A86-S90 WeakPolarHBondContact O-CB 3.48Å; A86-S90 PolarHBondContact O-N 3.01Å; S90-K94 WeakPolarHBondContact O-CB 3.34Å; S90-K94 VanDerWaalsContact O-CG 3.3Å; S90-K94 WeakPolarHBondContact O-CG 2.99Å; S90-K94 PolarHBondContact O-N 3.22Å |
| 91 | G | 58.3 | Low | 58.5 | Low | 39 Ų | 39 | 80.8 Ų | 80.8 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T87 L89 K94 F95 | T87-G91 PolarHBondContact O-N 2.9Å; L89-G91 PolarHBondContact O-N 2.84Å; G91-K94 PolarHBondContact O-N 3.29Å; G91-F95 VanDerWaalsContact O-CB 3.31Å; G91-F95 WeakPolarHBondContact O-CB 3.31Å; G91-F95 PolarHBondContact O-N 2.98Å |
| 92 | L | 55.8 | Low | 59.4 | Low | 77 Ų | 77 | 79.1 Ų | 79.1 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 176.6 | -176.6 | 61.6 | 0 | 0 | 0 | 112.1 | G88 L89 K94 F95 I96 | G88-L92 WeakPolarHBondContact O-CB 3.43Å; G88-L92 PolarHBondContact O-N 3.27Å; L89-L92 PolarHBondContact O-N 2.92Å; L92-K94 PolarHBondContact O-N 3.43Å; L92-F95 PolarHBondContact O-N 3.47Å; L92-I96 HydrophobicContact CD1-CD1 3.92Å; L92-I96 HydrophobicContact CD1-CG1 4.16Å; L92-I96 HydrophobicContact CD2-CD1 4.46Å; L92-I96 HydrophobicContact CG-CD1 3.78Å; L92-I96 HydrophobicContact CG-CG1 4.41Å; L92-I96 WeakPolarHBondContact O-CB 3.11Å; L92-I96 VanDerWaalsContact O-CG1 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.31Å; L92-I96 PolarHBondContact O-N 3.22Å |
| 93 | T | 54.3 | Low | 60.1 | Low | 80 Ų | 80 | 75 Ų | 75 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | L89 F95 L97 | L89-T93 WeakPolarHBondContact O-CB 3.13Å; L89-T93 PolarHBondContact O-N 2.98Å; L89-T93 PolarHBondContact O-OG1 3.48Å; T93-F95 VanDerWaalsContact C-N 3.34Å; T93-L97 WeakPolarHBondContact O-CB 3.43Å; T93-L97 PolarHBondContact O-N 2.81Å |
| 94 | K | 61 | Low | 61.2 | Low | 148 Ų | 148 | 76.1 Ų | 76.1 | 64% | 0.643 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.2 | -35.8 | 175.3 | -75 | 173.7 | 178.5 | -72.5 | 0 | 112.3 | S90 G91 L92 G98 | S90-K94 WeakPolarHBondContact O-CB 3.34Å; S90-K94 VanDerWaalsContact O-CG 3.3Å; S90-K94 WeakPolarHBondContact O-CG 2.99Å; S90-K94 PolarHBondContact O-N 3.22Å; G91-K94 PolarHBondContact O-N 3.29Å; L92-K94 PolarHBondContact O-N 3.43Å; K94-G98 WeakPolarHBondContact O-CA 3.28Å; K94-G98 PolarHBondContact O-N 3.47Å |
| 95 | F | 62.1 | Low | 62.2 | Low | 85 Ų | 85 | 73.7 Ų | 73.7 | 37% | 0.373 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.6 | -44.2 | 176.7 | -179.5 | -100.5 | 0 | 0 | 0 | 112.6 | V27 V31 G91 L92 T93 G98 S99 | V27-F95 HydrophobicContact CB-CE2 4.03Å; V27-F95 HydrophobicContact CB-CZ 3.92Å; V27-F95 HydrophobicContact CG1-CE2 3.65Å; V27-F95 HydrophobicContact CG1-CZ 4.09Å; V31-F95 HydrophobicContact CG2-CE1 4.17Å; G91-F95 VanDerWaalsContact O-CB 3.31Å; G91-F95 WeakPolarHBondContact O-CB 3.31Å; G91-F95 PolarHBondContact O-N 2.98Å; L92-F95 PolarHBondContact O-N 3.47Å; T93-F95 VanDerWaalsContact C-N 3.34Å; F95-G98 PolarHBondContact O-N 2.87Å; F95-S99 VanDerWaalsContact O-CB 3.31Å; F95-S99 WeakPolarHBondContact O-CB 3.45Å; F95-S99 PolarHBondContact O-N 2.83Å; F95-S99 PolarHBondContact O-OG 2.84Å |
| 96 | I | 65.4 | Low | 62.6 | Low | 84 Ų | 84 | 74.7 Ų | 74.7 | 43% | 0.431 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.5 | -48.3 | 175.8 | -68.6 | 169.2 | 0 | 0 | 0 | 109.9 | L92 G98 S99 I100 | L92-I96 HydrophobicContact CD1-CD1 3.92Å; L92-I96 HydrophobicContact CD1-CG1 4.16Å; L92-I96 HydrophobicContact CD2-CD1 4.46Å; L92-I96 HydrophobicContact CG-CD1 3.78Å; L92-I96 HydrophobicContact CG-CG1 4.41Å; L92-I96 WeakPolarHBondContact O-CB 3.11Å; L92-I96 VanDerWaalsContact O-CG1 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.31Å; L92-I96 PolarHBondContact O-N 3.22Å; I96-G98 VanDerWaalsContact C-N 3.31Å; I96-G98 PolarHBondContact O-N 2.81Å; I96-S99 PolarHBondContact O-N 3.22Å; I96-I100 HydrophobicContact CG2-CD1 3.64Å; I96-I100 HydrophobicContact CG2-CG1 4.45Å; I96-I100 WeakPolarHBondContact O-CB 3.27Å; I96-I100 VanDerWaalsContact O-CG1 3.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.2Å; I96-I100 PolarHBondContact O-N 2.9Å |
| 97 | L | 70.8 | Confident | 63.4 | Low | 120 Ų | 120 | 75.7 Ų | 75.7 | 63% | 0.628 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.6 | -37.3 | 178.5 | -173 | 60.2 | 0 | 0 | 0 | 111.7 | T93 G101 | T93-L97 WeakPolarHBondContact O-CB 3.43Å; T93-L97 PolarHBondContact O-N 2.81Å; L97-G101 PolarHBondContact O-N 3.4Å |
| 98 | G | 73.3 | Confident | 64.3 | Low | 44 Ų | 44 | 76.5 Ų | 76.5 | 45% | 0.454 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.3 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K94 F95 I96 S102 | K94-G98 WeakPolarHBondContact O-CA 3.28Å; K94-G98 PolarHBondContact O-N 3.47Å; F95-G98 PolarHBondContact O-N 2.87Å; I96-G98 VanDerWaalsContact C-N 3.31Å; I96-G98 PolarHBondContact O-N 2.81Å; G98-S102 VanDerWaalsContact O-CB 3.24Å; G98-S102 WeakPolarHBondContact O-CB 3.26Å; G98-S102 PolarHBondContact O-N 2.9Å |
| 99 | S | 70.6 | Confident | 64.8 | Low | 54 Ų | 54 | 78 Ų | 78 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 176.7 | -63 | 0 | 0 | 0 | 0 | 111.7 | F95 I96 S102 A103 | F95-S99 VanDerWaalsContact O-CB 3.31Å; F95-S99 WeakPolarHBondContact O-CB 3.45Å; F95-S99 PolarHBondContact O-N 2.83Å; F95-S99 PolarHBondContact O-OG 2.84Å; I96-S99 PolarHBondContact O-N 3.22Å; S99-S102 PolarHBondContact O-N 2.84Å; S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 2.94Å |
| 100 | I | 73.4 | Confident | 64.7 | Low | 89 Ų | 89 | 82.3 Ų | 82.3 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 176.1 | -65.9 | 166.4 | 0 | 0 | 0 | 110 | I96 S102 A103 I104 | I96-I100 HydrophobicContact CG2-CD1 3.64Å; I96-I100 HydrophobicContact CG2-CG1 4.45Å; I96-I100 WeakPolarHBondContact O-CB 3.27Å; I96-I100 VanDerWaalsContact O-CG1 3.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.2Å; I96-I100 PolarHBondContact O-N 2.9Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 3.24Å; I100-A103 PolarHBondContact O-N 2.89Å; I100-I104 HydrophobicContact CG2-CD1 3.65Å; I100-I104 HydrophobicContact CG2-CG1 4.4Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.24Å; I100-I104 PolarHBondContact O-N 2.84Å |
| 101 | G | 73.5 | Confident | 64.6 | Low | 36 Ų | 36 | 87.6 Ų | 87.6 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L97 A105 | L97-G101 PolarHBondContact O-N 3.4Å; G101-A105 WeakPolarHBondContact O-CB 3.43Å; G101-A105 PolarHBondContact O-N 3.38Å |
| 102 | S | 67.1 | Low | 63.9 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 56% | 0.559 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.8 | -38.7 | 175.9 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | G98 S99 I100 A106 | G98-S102 VanDerWaalsContact O-CB 3.24Å; G98-S102 WeakPolarHBondContact O-CB 3.26Å; G98-S102 PolarHBondContact O-N 2.9Å; S99-S102 PolarHBondContact O-N 2.84Å; I100-S102 VanDerWaalsContact C-N 3.31Å; I100-S102 PolarHBondContact O-N 3.24Å; S102-A106 VanDerWaalsContact O-CB 3.27Å; S102-A106 WeakPolarHBondContact O-CB 3.28Å; S102-A106 PolarHBondContact O-N 2.92Å |
| 103 | A | 66.3 | Low | 64.3 | Low | 59 Ų | 59 | 99.5 Ų | 99.5 | 49% | 0.488 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S99 I100 A106 V107 | S99-A103 WeakPolarHBondContact O-CB 3.48Å; S99-A103 PolarHBondContact O-N 2.94Å; I100-A103 PolarHBondContact O-N 2.89Å; A103-A106 PolarHBondContact O-N 3.15Å; A103-V107 WeakPolarHBondContact O-CG2 3.29Å; A103-V107 PolarHBondContact O-N 2.83Å |
| 104 | I | 71.8 | Confident | 64.9 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 176.3 | -65.2 | 166.5 | 0 | 0 | 0 | 110.3 | I100 A106 V107 I108 | I100-I104 HydrophobicContact CG2-CD1 3.65Å; I100-I104 HydrophobicContact CG2-CG1 4.4Å; I100-I104 VanDerWaalsContact O-CG1 3.26Å; I100-I104 WeakPolarHBondContact O-CG1 3.24Å; I100-I104 PolarHBondContact O-N 2.84Å; I104-A106 VanDerWaalsContact C-N 3.32Å; I104-A106 PolarHBondContact O-N 3.03Å; I104-V107 PolarHBondContact O-N 3.25Å; I104-I108 HydrophobicContact CG2-CD1 3.67Å; I104-I108 HydrophobicContact CG2-CG1 4.37Å; I104-I108 VanDerWaalsContact O-CG1 3.29Å; I104-I108 WeakPolarHBondContact O-CG1 3.18Å; I104-I108 PolarHBondContact O-N 3.42Å |
| 105 | A | 68.7 | Low | 65.1 | Low | 56 Ų | 56 | 97.8 Ų | 97.8 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G101 I108 A109 | G101-A105 WeakPolarHBondContact O-CB 3.43Å; G101-A105 PolarHBondContact O-N 3.38Å; A105-I108 PolarHBondContact O-N 2.9Å; A105-A109 WeakPolarHBondContact O-CB 3.5Å; A105-A109 PolarHBondContact O-N 3.42Å |
| 106 | A | 62.8 | Low | 65.2 | Low | 60 Ų | 60 | 98.6 Ų | 98.6 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.4 | -38.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S102 A103 I104 R110 | S102-A106 VanDerWaalsContact O-CB 3.27Å; S102-A106 WeakPolarHBondContact O-CB 3.28Å; S102-A106 PolarHBondContact O-N 2.92Å; A103-A106 PolarHBondContact O-N 3.15Å; I104-A106 VanDerWaalsContact C-N 3.32Å; I104-A106 PolarHBondContact O-N 3.03Å; A106-R110 VanDerWaalsContact O-CB 3.24Å; A106-R110 WeakPolarHBondContact O-CB 3.24Å; A106-R110 PolarHBondContact O-N 3.42Å |
| 107 | V | 64.9 | Low | 65.2 | Low | 87 Ų | 87 | 99.5 Ų | 99.5 | 53% | 0.527 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -45.7 | 174 | 166.8 | 0 | 0 | 0 | 0 | 110.8 | A103 I104 R110 F111 | A103-V107 WeakPolarHBondContact O-CG2 3.29Å; A103-V107 PolarHBondContact O-N 2.83Å; I104-V107 PolarHBondContact O-N 3.25Å; V107-R110 WeakPolarHBondContact O-CB 3.4Å; V107-R110 PolarHBondContact O-N 3.23Å; V107-R110 VanDerWaalsContact O-N 3.15Å; V107-F111 HydrophobicContact CG1-CD2 4.36Å; V107-F111 WeakPolarHBondContact O-CD2 3.39Å; V107-F111 PolarHBondContact O-N 3.34Å |
| 108 | I | 70.5 | Confident | 64.9 | Low | 107 Ų | 107 | 98.1 Ų | 98.1 | 55% | 0.549 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 178.7 | -66.4 | 167.3 | 0 | 0 | 0 | 110.8 | I104 A105 R110 F111 Y112 | I104-I108 HydrophobicContact CG2-CD1 3.67Å; I104-I108 HydrophobicContact CG2-CG1 4.37Å; I104-I108 VanDerWaalsContact O-CG1 3.29Å; I104-I108 WeakPolarHBondContact O-CG1 3.18Å; I104-I108 PolarHBondContact O-N 3.42Å; A105-I108 PolarHBondContact O-N 2.9Å; I108-R110 PolarHBondContact O-N 3.01Å; I108-F111 PolarHBondContact O-N 3.39Å; I108-Y112 PolarHBondContact O-N 3.05Å |
| 109 | A | 63.4 | Low | 64.3 | Low | 67 Ų | 67 | 102 Ų | 102 | 55% | 0.554 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66 | -19.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | A105 F111 | A105-A109 WeakPolarHBondContact O-CB 3.5Å; A105-A109 PolarHBondContact O-N 3.42Å; A109-F111 VanDerWaalsContact C-N 3.32Å |
| 110 | R | 49.9 | Very low | 63.8 | Low | 204 Ų | 204 | 105.7 Ų | 105.7 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -9.7 | 174.9 | -166.9 | -104.1 | 168.3 | 148.2 | -0.9 | 112.7 | A106 V107 I108 | A106-R110 VanDerWaalsContact O-CB 3.24Å; A106-R110 WeakPolarHBondContact O-CB 3.24Å; A106-R110 PolarHBondContact O-N 3.42Å; V107-R110 WeakPolarHBondContact O-CB 3.4Å; V107-R110 PolarHBondContact O-N 3.23Å; V107-R110 VanDerWaalsContact O-N 3.15Å; I108-R110 PolarHBondContact O-N 3.01Å |
| 111 | F | 52 | Low | 63 | Low | 170 Ų | 170 | 107.1 Ų | 107.1 | 75% | 0.746 | 59% | 0.587 | S | S | * | * | trans | -110.6 | 2.3 | 177.9 | -87.7 | -80.5 | 0 | 0 | 0 | 113.6 | V107 I108 A109 | V107-F111 HydrophobicContact CG1-CD2 4.36Å; V107-F111 WeakPolarHBondContact O-CD2 3.39Å; V107-F111 PolarHBondContact O-N 3.34Å; I108-F111 PolarHBondContact O-N 3.39Å; A109-F111 VanDerWaalsContact C-N 3.32Å | ||
| 112 | Y | 44.5 | Very low | 62 | Low | 266 Ų | 266 | 113.5 Ų | 113.5 | 100% | 1.043 | 61% | 0.606 | S | S | * | * | trans | -116.2 | 0 | 173.8 | -149.8 | -84.5 | 0 | 0 | 0 | 109.3 | I108 | I108-Y112 PolarHBondContact O-N 3.05Š|
Retrieved 112 of 112 residues in 166.2 ms
(Link to these results)