| 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 | I | 38.3 | Very low | 38.3 | Very low | 142 Ų | 142 | 104.9 Ų | 104.9 | 73% | 0.728 | 58% | 0.581 | S | S | * | * | 0 | -54.3 | 0 | -62.9 | 172.4 | 0 | 0 | 0 | 112.2 | K3 F4 L125 | I1-K3 VanDerWaalsContact C-N 3.26Å; I1-K3 PolarHBondContact O-N 2.73Å; I1-K3 VanDerWaalsContact O-N 3.15Å; I1-F4 PolarHBondContact O-N 3.1Å; I1-L125 HydrophobicContact CD1-CD1 3.66Å; I1-L125 HydrophobicContact CG2-CD2 4.22Å | |||
| 2 | M | 30.1 | Very low | 38.5 | Very low | 170 Ų | 170 | 105.1 Ų | 105.1 | 84% | 0.837 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -56.6 | -30.6 | 178.3 | -72 | -108.1 | -84.7 | 0 | 0 | 115.5 | A6 | M2-A6 PolarHBondContact O-N 2.74Å |
| 3 | K | 32 | Very low | 38.6 | Very low | 180 Ų | 180 | 105.8 Ų | 105.8 | 78% | 0.783 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.7 | -27.8 | -178.5 | -60.8 | -178.9 | -179.9 | 179.7 | 0 | 113.8 | I1 L7 | I1-K3 VanDerWaalsContact C-N 3.26Å; I1-K3 PolarHBondContact O-N 2.73Å; I1-K3 VanDerWaalsContact O-N 3.15Å; K3-L7 WeakPolarHBondContact O-CB 3.41Å; K3-L7 PolarHBondContact O-N 3.23Å; K3-L7 VanDerWaalsContact O-N 3.17Å |
| 4 | F | 37.5 | Very low | 38.8 | Very low | 123 Ų | 123 | 103.6 Ų | 103.6 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.6 | -38.4 | 177.5 | -92.8 | -89.9 | 0 | 0 | 0 | 112 | I1 L7 A8 L55 | I1-F4 PolarHBondContact O-N 3.1Å; F4-L7 PolarHBondContact O-N 3.38Å; F4-A8 PolarHBondContact O-N 3.31Å; F4-L55 HydrophobicContact CE2-CD1 4.09Å; F4-L55 HydrophobicContact CE2-CD2 3.99Å; F4-L55 HydrophobicContact CZ-CD1 4.04Å |
| 5 | V | 37.8 | Very low | 39.1 | Very low | 91 Ų | 91 | 104.4 Ų | 104.4 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.9 | -40.1 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | L7 L9 | V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 PolarHBondContact O-N 2.59Å; V5-L9 WeakPolarHBondContact O-CB 3.3Å; V5-L9 PolarHBondContact O-N 3.27Å |
| 6 | A | 38.5 | Very low | 38.7 | Very low | 61 Ų | 61 | 101.5 Ų | 101.5 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.8 | -35.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | M2 A10 | M2-A6 PolarHBondContact O-N 2.74Å; A6-A10 VanDerWaalsContact O-CB 3.31Å; A6-A10 WeakPolarHBondContact O-CB 3.17Å; A6-A10 PolarHBondContact O-N 2.88Å |
| 7 | L | 41.7 | Very low | 38.5 | Very low | 84 Ų | 84 | 100.8 Ų | 100.8 | 44% | 0.44 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.9 | -40.7 | -179.6 | -150.4 | 149.3 | 0 | 0 | 0 | 111.5 | K3 F4 V5 A10 V11 A51 | K3-L7 WeakPolarHBondContact O-CB 3.41Å; K3-L7 PolarHBondContact O-N 3.23Å; K3-L7 VanDerWaalsContact O-N 3.17Å; F4-L7 PolarHBondContact O-N 3.38Å; V5-L7 VanDerWaalsContact C-N 3.31Å; V5-L7 PolarHBondContact O-N 2.59Å; L7-A10 PolarHBondContact O-N 2.88Å; L7-V11 HydrophobicContact CD2-CG2 4.46Å; L7-V11 WeakPolarHBondContact O-CG2 3.29Å; L7-V11 PolarHBondContact O-N 3.46Å; L7-V11 VanDerWaalsContact O-N 3.11Å; L7-A51 HydrophobicContact CD1-CB 4.11Å |
| 8 | A | 40.8 | Very low | 38.6 | Very low | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.4 | -40.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | F4 L12 | F4-A8 PolarHBondContact O-N 3.31Å; A8-L12 WeakPolarHBondContact O-CB 3.46Å; A8-L12 PolarHBondContact O-N 3.48Å |
| 9 | L | 35.3 | Very low | 38.6 | Very low | 101 Ų | 101 | 101.7 Ų | 101.7 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.1 | -39.6 | 176.8 | -129.1 | 96.9 | 0 | 0 | 0 | 112.4 | V5 L12 L13 | V5-L9 WeakPolarHBondContact O-CB 3.3Å; V5-L9 PolarHBondContact O-N 3.27Å; L9-L12 PolarHBondContact O-N 3.43Å; L9-L13 HydrophobicContact CD2-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.87Å |
| 10 | A | 43 | Very low | 38.3 | Very low | 59 Ų | 59 | 101.9 Ų | 101.9 | 49% | 0.488 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.4 | -39.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A6 L7 A14 | A6-A10 VanDerWaalsContact O-CB 3.31Å; A6-A10 WeakPolarHBondContact O-CB 3.17Å; A6-A10 PolarHBondContact O-N 2.88Å; L7-A10 PolarHBondContact O-N 2.88Å; A10-A14 VanDerWaalsContact O-CB 3.25Å; A10-A14 WeakPolarHBondContact O-CB 3.28Å; A10-A14 PolarHBondContact O-N 3.05Å |
| 11 | V | 46.7 | Very low | 38.2 | Very low | 86 Ų | 86 | 100.4 Ų | 100.4 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.3 | -41.4 | 174.8 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L7 A14 V15 | L7-V11 HydrophobicContact CD2-CG2 4.46Å; L7-V11 WeakPolarHBondContact O-CG2 3.29Å; L7-V11 PolarHBondContact O-N 3.46Å; L7-V11 VanDerWaalsContact O-N 3.11Å; V11-A14 PolarHBondContact O-N 3.24Å; V11-V15 VanDerWaalsContact O-CG2 3.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.4Å; V11-V15 PolarHBondContact O-N 3.07Å; V11-V15 VanDerWaalsContact O-N 3.11Å |
| 12 | L | 40.9 | Very low | 38.4 | Very low | 107 Ų | 107 | 99.5 Ų | 99.5 | 56% | 0.56 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.6 | -40.7 | 176.6 | -107.2 | 154.6 | 0 | 0 | 0 | 113 | A8 L9 G16 | A8-L12 WeakPolarHBondContact O-CB 3.46Å; A8-L12 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.43Å; L12-G16 PolarHBondContact O-N 3.24Å |
| 13 | L | 39.8 | Very low | 38.9 | Very low | 114 Ų | 114 | 100.8 Ų | 100.8 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.5 | -35.9 | 178.1 | -77.9 | 165.2 | 0 | 0 | 0 | 112.5 | L9 S17 | L9-L13 HydrophobicContact CD2-CD1 4.12Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.87Å; L13-S17 VanDerWaalsContact O-CB 3.3Å; L13-S17 WeakPolarHBondContact O-CB 3.47Å; L13-S17 PolarHBondContact O-N 3.46Å |
| 14 | A | 40.8 | Very low | 39.3 | Very low | 76 Ų | 76 | 96.4 Ų | 96.4 | 63% | 0.628 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.5 | -35.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A10 V11 | A10-A14 VanDerWaalsContact O-CB 3.25Å; A10-A14 WeakPolarHBondContact O-CB 3.28Å; A10-A14 PolarHBondContact O-N 3.05Å; V11-A14 PolarHBondContact O-N 3.24Å |
| 15 | V | 42.9 | Very low | 39 | Very low | 115 Ų | 115 | 97.3 Ų | 97.3 | 70% | 0.697 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -83.3 | -30 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | V11 | V11-V15 VanDerWaalsContact O-CG2 3.3Å; V11-V15 WeakPolarHBondContact O-CG2 3.4Å; V11-V15 PolarHBondContact O-N 3.07Å; V11-V15 VanDerWaalsContact O-N 3.11Å |
| 16 | G | 32.5 | Very low | 39 | Very low | 58 Ų | 58 | 95.1 Ų | 95.1 | 60% | 0.598 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -78.4 | -27.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L12 Q18 | L12-G16 PolarHBondContact O-N 3.24Å; G16-Q18 PolarHBondContact O-N 3.1Å |
| 17 | S | 35.7 | Very low | 39.3 | Very low | 90 Ų | 90 | 97.3 Ų | 97.3 | 63% | 0.629 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -90.6 | 3.4 | -164 | -161.1 | 0 | 0 | 0 | 0 | 116.5 | L13 | L13-S17 VanDerWaalsContact O-CB 3.3Å; L13-S17 WeakPolarHBondContact O-CB 3.47Å; L13-S17 PolarHBondContact O-N 3.46Å |
| 18 | Q | 40.1 | Very low | 39.6 | Very low | 129 Ų | 129 | 97.1 Ų | 97.1 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -132.2 | 6.4 | -179.2 | -64.7 | -70.1 | 7.1 | 0 | 0 | 115 | G16 A20 S21 | G16-Q18 PolarHBondContact O-N 3.1Å; Q18-A20 PolarHBondContact O-N 3.45Å; Q18-S21 PolarHBondContact OE1-OG 2.98Å |
| 19 | A | 38.4 | Very low | 39.6 | Very low | 89 Ų | 89 | 99.3 Ų | 99.3 | 74% | 0.736 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -6.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 20 | A | 33.5 | Very low | 40.3 | Very low | 106 Ų | 106 | 98.5 Ų | 98.5 | 88% | 0.876 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -3.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q18 | Q18-A20 PolarHBondContact O-N 3.45Š|
| 21 | S | 36.9 | Very low | 40.6 | Very low | 71 Ų | 71 | 98.6 Ų | 98.6 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -114.4 | 1.7 | -167.2 | 61.8 | 0 | 0 | 0 | 0 | 116.7 | Q18 | Q18-S21 PolarHBondContact OE1-OG 2.98Š|
| 22 | L | 41.7 | Very low | 40.6 | Very low | 122 Ų | 122 | 101.1 Ų | 101.1 | 64% | 0.639 | 63% | 0.627 | S | S | * | * | trans | -125.3 | 53.6 | -171.6 | -71.1 | 170.8 | 0 | 0 | 0 | 113.8 | ||||
| 23 | Q | 39.9 | Very low | 41 | Very low | 197 Ų | 197 | 99.3 Ų | 99.3 | 92% | 0.921 | 62% | 0.617 | S | S | * | * | trans | -112.6 | 70.9 | 162.7 | -159.7 | 165.5 | 14.1 | 0 | 0 | 109.4 | ||||
| 24 | A | 40.4 | Very low | 41.6 | Very low | 89 Ų | 89 | 98.5 Ų | 98.5 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 176.9 | 117.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 25 | D | 32.6 | Very low | 42.2 | Very low | 142 Ų | 142 | 97.4 Ų | 97.4 | 76% | 0.759 | 60% | 0.597 | S | S | * | * | trans | 105 | 122.7 | 136.1 | -137.9 | 15.1 | 0 | 0 | 0 | 121 | ||||
| 26 | A | 35.9 | Very low | 42.6 | Very low | 45 Ų | 45 | 94.1 Ų | 94.1 | 37% | 0.372 | 58% | 0.582 | S | S | . | * | trans | 68.1 | 135.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | S28 Q29 | A26-S28 PolarHBondContact O-N 3.41Å; A26-Q29 PolarHBondContact O-N 3.33Å | ||
| 27 | P | 45 | Very low | 43.5 | Very low | 107 Ų | 107 | 94 Ų | 94 | 70% | 0.695 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.7 | -16.3 | -171.1 | 28.1 | -35.4 | 0 | 0 | 0 | 116 | ||
| 28 | S | 48.7 | Very low | 44.5 | Very low | 80 Ų | 80 | 91.8 Ų | 91.8 | 56% | 0.559 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75 | -27.4 | 175.1 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | A26 H32 | A26-S28 PolarHBondContact O-N 3.41Å; S28-H32 PolarHBondContact O-CD2 2.82Å |
| 29 | Q | 41.8 | Very low | 45.6 | Very low | 102 Ų | 102 | 90 Ų | 90 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73 | -30.6 | 175.1 | -60.2 | -166.2 | 16.4 | 0 | 0 | 111.8 | A26 A31 H32 I33 | A26-Q29 PolarHBondContact O-N 3.33Å; Q29-A31 VanDerWaalsContact C-N 3.29Å; Q29-A31 PolarHBondContact O-N 3.47Å; Q29-H32 CarbonylContact O-C 3.55Å; Q29-H32 PolarHBondContact O-N 3.01Å; Q29-H32 VanDerWaalsContact O-N 3.16Å; Q29-I33 HydrophobicContact CB-CD1 4.33Å; Q29-I33 WeakPolarHBondContact O-CB 3.49Å; Q29-I33 WeakPolarHBondContact O-CD1 3.19Å; Q29-I33 WeakPolarHBondContact O-CG1 3.42Å; Q29-I33 PolarHBondContact O-N 3.17Å |
| 30 | L | 49 | Very low | 46.2 | Very low | 84 Ų | 84 | 93.6 Ų | 93.6 | 44% | 0.44 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 176.7 | -66.2 | 175.9 | 0 | 0 | 0 | 112.8 | R34 T89 | L30-R34 WeakPolarHBondContact O-CB 3.2Å; L30-R34 PolarHBondContact O-N 3.4Å; L30-T89 HydrophobicContact CD1-CG2 3.88Å |
| 31 | A | 49.8 | Very low | 47.3 | Very low | 62 Ų | 62 | 92 Ų | 92 | 51% | 0.512 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q29 R34 A35 | Q29-A31 VanDerWaalsContact C-N 3.29Å; Q29-A31 PolarHBondContact O-N 3.47Å; A31-R34 PolarHBondContact O-N 2.87Å; A31-A35 WeakPolarHBondContact O-CB 3.45Å; A31-A35 PolarHBondContact O-N 3.42Å |
| 32 | H | 46.6 | Very low | 48.7 | Very low | 139 Ų | 139 | 90.5 Ų | 90.5 | 64% | 0.644 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.8 | -37.2 | 175.1 | -70.7 | -64.5 | 0 | 0 | 0 | 112.8 | S28 Q29 A35 A36 | S28-H32 PolarHBondContact O-CD2 2.82Å; Q29-H32 CarbonylContact O-C 3.55Å; Q29-H32 PolarHBondContact O-N 3.01Å; Q29-H32 VanDerWaalsContact O-N 3.16Å; H32-A35 PolarHBondContact O-N 2.85Å; H32-A36 WeakPolarHBondContact O-CB 3.5Å; H32-A36 PolarHBondContact O-N 3.48Å |
| 33 | I | 49.2 | Very low | 49.5 | Very low | 68 Ų | 68 | 89.8 Ų | 89.8 | 35% | 0.349 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 174.5 | -68.8 | 162.4 | 0 | 0 | 0 | 110.2 | Q29 A36 A37 | Q29-I33 HydrophobicContact CB-CD1 4.33Å; Q29-I33 WeakPolarHBondContact O-CB 3.49Å; Q29-I33 WeakPolarHBondContact O-CD1 3.19Å; Q29-I33 WeakPolarHBondContact O-CG1 3.42Å; Q29-I33 PolarHBondContact O-N 3.17Å; I33-A36 PolarHBondContact O-N 3.37Å; I33-A37 WeakPolarHBondContact O-CB 3.5Å; I33-A37 PolarHBondContact O-N 2.93Å |
| 34 | R | 51.3 | Low | 50.3 | Low | 98 Ų | 98 | 83.2 Ų | 83.2 | 37% | 0.37 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 175.3 | 177.9 | 177.9 | -103.4 | -177 | -6.6 | 111.4 | L30 A31 A37 D38 Q82 V85 | L30-R34 WeakPolarHBondContact O-CB 3.2Å; L30-R34 PolarHBondContact O-N 3.4Å; A31-R34 PolarHBondContact O-N 2.87Å; R34-A37 PolarHBondContact O-N 3.47Å; R34-D38 WeakPolarHBondContact O-CB 3.31Å; R34-D38 PolarHBondContact O-N 3.01Å; R34-Q82 HydrophobicContact CG-CG 4.26Å; R34-Q82 PolarHBondContact NH2-O 2.96Å; R34-V85 VanDerWaalsContact CZ-O 3.31Å; R34-V85 PolarHBondContact NH1-O 3.43Å; R34-V85 PolarHBondContact NH2-O 2.9Å |
| 35 | A | 54.8 | Low | 51.4 | Low | 53 Ų | 53 | 80.5 Ų | 80.5 | 44% | 0.438 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A31 H32 D38 V39 | A31-A35 WeakPolarHBondContact O-CB 3.45Å; A31-A35 PolarHBondContact O-N 3.42Å; H32-A35 PolarHBondContact O-N 2.85Å; A35-D38 PolarHBondContact O-N 3.49Å; A35-V39 VanDerWaalsContact O-CG2 3.28Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.26Å |
| 36 | A | 50.5 | Low | 53 | Low | 45 Ų | 45 | 78.5 Ų | 78.5 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | H32 I33 D38 V39 Y40 | H32-A36 WeakPolarHBondContact O-CB 3.5Å; H32-A36 PolarHBondContact O-N 3.48Å; I33-A36 PolarHBondContact O-N 3.37Å; A36-D38 PolarHBondContact O-N 3.4Å; A36-V39 PolarHBondContact O-N 3.21Å; A36-Y40 WeakPolarHBondContact O-CB 3.23Å; A36-Y40 VanDerWaalsContact O-CD2 3.23Å; A36-Y40 WeakPolarHBondContact O-CD2 3.47Å; A36-Y40 PolarHBondContact O-N 2.92Å |
| 37 | A | 52.5 | Low | 54 | Low | 55 Ų | 55 | 79.6 Ų | 79.6 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I33 R34 Y40 M41 | I33-A37 WeakPolarHBondContact O-CB 3.5Å; I33-A37 PolarHBondContact O-N 2.93Å; R34-A37 PolarHBondContact O-N 3.47Å; A37-Y40 PolarHBondContact O-N 3.34Å; A37-M41 WeakPolarHBondContact O-CB 3.34Å; A37-M41 PolarHBondContact O-N 2.93Å |
| 38 | D | 55.8 | Low | 54.5 | Low | 45 Ų | 45 | 75.5 Ų | 75.5 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 177.2 | -164.3 | 31 | 0 | 0 | 0 | 111.7 | R34 A35 A36 M41 T42 K79 | R34-D38 WeakPolarHBondContact O-CB 3.31Å; R34-D38 PolarHBondContact O-N 3.01Å; A35-D38 PolarHBondContact O-N 3.49Å; A36-D38 PolarHBondContact O-N 3.4Å; D38-M41 PolarHBondContact O-N 3.49Å; D38-T42 VanDerWaalsContact O-CB 3.3Å; D38-T42 WeakPolarHBondContact O-CB 3.42Å; D38-T42 PolarHBondContact O-N 3.03Å; D38-T42 PolarHBondContact O-OG1 3.44Å; D38-K79 WeakPolarHBondContact OD1-CE 3.37Å; D38-K79 IonicContact OD1-NZ 3.64Å; D38-K79 IonicContact OD2-NZ 3.27Å |
| 39 | V | 63.1 | Low | 55.2 | Low | 90 Ų | 90 | 74 Ų | 74 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 173.6 | 171.5 | 0 | 0 | 0 | 0 | 111 | A35 A36 M41 T42 Q43 | A35-V39 VanDerWaalsContact O-CG2 3.28Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.26Å; A36-V39 PolarHBondContact O-N 3.21Å; V39-M41 PolarHBondContact O-N 3.36Å; V39-T42 PolarHBondContact O-N 3.33Å; V39-Q43 VanDerWaalsContact O-CB 3.28Å; V39-Q43 WeakPolarHBondContact O-CB 3.4Å; V39-Q43 PolarHBondContact O-N 2.9Å |
| 40 | Y | 51.1 | Low | 56.3 | Low | 165 Ų | 165 | 75.2 Ų | 75.2 | 65% | 0.647 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 178.2 | -91.7 | -73.7 | 0 | 0 | 0 | 112.2 | A36 A37 Q43 A44 | A36-Y40 WeakPolarHBondContact O-CB 3.23Å; A36-Y40 VanDerWaalsContact O-CD2 3.23Å; A36-Y40 WeakPolarHBondContact O-CD2 3.47Å; A36-Y40 PolarHBondContact O-N 2.92Å; A37-Y40 PolarHBondContact O-N 3.34Å; Y40-Q43 PolarHBondContact O-N 2.78Å; Y40-A44 VanDerWaalsContact O-CB 3.26Å; Y40-A44 WeakPolarHBondContact O-CB 3.35Å; Y40-A44 PolarHBondContact O-N 3.29Å |
| 41 | M | 57.2 | Low | 56.7 | Low | 74 Ų | 74 | 72.7 Ų | 72.7 | 37% | 0.365 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -41 | 178.6 | -160.7 | 76.9 | -172.4 | 0 | 0 | 111.1 | A37 D38 V39 K45 I74 I78 | A37-M41 WeakPolarHBondContact O-CB 3.34Å; A37-M41 PolarHBondContact O-N 2.93Å; D38-M41 PolarHBondContact O-N 3.49Å; V39-M41 PolarHBondContact O-N 3.36Å; M41-K45 WeakPolarHBondContact O-CB 3.35Å; M41-K45 PolarHBondContact O-N 3.33Å; M41-I74 HydrophobicContact CE-CG2 4.31Å; M41-I78 HydrophobicContact CE-CD1 3.36Å; M41-I78 HydrophobicContact SD-CD1 4.5Å |
| 42 | T | 65.4 | Low | 57.1 | Low | 39 Ų | 39 | 70.7 Ų | 70.7 | 24% | 0.239 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | D38 V39 A44 K45 E46 | D38-T42 VanDerWaalsContact O-CB 3.3Å; D38-T42 WeakPolarHBondContact O-CB 3.42Å; D38-T42 PolarHBondContact O-N 3.03Å; D38-T42 PolarHBondContact O-OG1 3.44Å; V39-T42 PolarHBondContact O-N 3.33Å; T42-A44 PolarHBondContact O-N 3.49Å; T42-K45 PolarHBondContact O-N 2.91Å; T42-E46 WeakPolarHBondContact O-CG 3.49Å; T42-E46 PolarHBondContact O-N 3.01Å |
| 43 | Q | 59.1 | Low | 57.8 | Low | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 178.8 | -169.2 | 171.9 | 5.8 | 0 | 0 | 112.5 | V39 Y40 S47 | V39-Q43 VanDerWaalsContact O-CB 3.28Å; V39-Q43 WeakPolarHBondContact O-CB 3.4Å; V39-Q43 PolarHBondContact O-N 2.9Å; Y40-Q43 PolarHBondContact O-N 2.78Å; Q43-S47 VanDerWaalsContact O-CB 3.25Å; Q43-S47 WeakPolarHBondContact O-CB 3.37Å; Q43-S47 PolarHBondContact O-N 2.94Å; Q43-S47 PolarHBondContact O-OG 3.21Å |
| 44 | A | 55.8 | Low | 58.2 | Low | 58 Ų | 58 | 73 Ų | 73 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y40 T42 S47 A48 | Y40-A44 VanDerWaalsContact O-CB 3.26Å; Y40-A44 WeakPolarHBondContact O-CB 3.35Å; Y40-A44 PolarHBondContact O-N 3.29Å; T42-A44 PolarHBondContact O-N 3.49Å; A44-S47 PolarHBondContact O-N 2.93Å; A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 2.87Å |
| 45 | K | 64.8 | Low | 58.5 | Low | 33 Ų | 33 | 71.2 Ų | 71.2 | 14% | 0.143 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.8 | -53.7 | 172.7 | 178.3 | -167.5 | 171.2 | -177.8 | 0 | 110.6 | M41 T42 S47 A48 I49 E72 H75 | M41-K45 WeakPolarHBondContact O-CB 3.35Å; M41-K45 PolarHBondContact O-N 3.33Å; T42-K45 PolarHBondContact O-N 2.91Å; K45-S47 VanDerWaalsContact C-N 3.31Å; K45-S47 PolarHBondContact O-N 2.95Å; K45-A48 PolarHBondContact O-N 2.91Å; K45-I49 HydrophobicContact CD-CD1 4.31Å; K45-I49 HydrophobicContact CG-CD1 3.79Å; K45-I49 WeakPolarHBondContact O-CG1 3.2Å; K45-I49 PolarHBondContact O-N 2.87Å; K45-E72 IonicContact NZ-OE1 3.93Å; K45-E72 PolarHBondContact NZ-OE1 3.33Å; K45-H75 HydrophobicContact CD-CB 4Å |
| 46 | E | 66.1 | Low | 58.2 | Low | 100 Ų | 100 | 74.1 Ų | 74.1 | 47% | 0.467 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | -178.2 | -76.2 | -174.2 | -171.1 | 0 | 0 | 112.7 | T42 I49 K50 | T42-E46 WeakPolarHBondContact O-CG 3.49Å; T42-E46 PolarHBondContact O-N 3.01Å; E46-I49 PolarHBondContact O-N 3.46Å; E46-K50 WeakPolarHBondContact O-CB 3.41Å; E46-K50 WeakPolarHBondContact O-CG 3.42Å; E46-K50 PolarHBondContact O-N 3.41Å |
| 47 | S | 56.3 | Low | 58.2 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 47% | 0.469 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | Q43 A44 K45 A51 | Q43-S47 VanDerWaalsContact O-CB 3.25Å; Q43-S47 WeakPolarHBondContact O-CB 3.37Å; Q43-S47 PolarHBondContact O-N 2.94Å; Q43-S47 PolarHBondContact O-OG 3.21Å; A44-S47 PolarHBondContact O-N 2.93Å; K45-S47 VanDerWaalsContact C-N 3.31Å; K45-S47 PolarHBondContact O-N 2.95Å; S47-A51 VanDerWaalsContact O-CB 3.26Å; S47-A51 WeakPolarHBondContact O-CB 3.28Å; S47-A51 PolarHBondContact O-N 3.47Å |
| 48 | A | 56.1 | Low | 58.4 | Low | 22 Ų | 22 | 80.2 Ų | 80.2 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A44 K45 A51 L52 L71 | A44-A48 WeakPolarHBondContact O-CB 3.41Å; A44-A48 PolarHBondContact O-N 2.87Å; K45-A48 PolarHBondContact O-N 2.91Å; A48-A51 PolarHBondContact O-N 3.33Å; A48-L52 WeakPolarHBondContact O-CB 3.33Å; A48-L52 VanDerWaalsContact O-CG 3.26Å; A48-L52 WeakPolarHBondContact O-CG 3.21Å; A48-L52 PolarHBondContact O-N 3.34Å; A48-L71 HydrophobicContact CB-CD1 4.05Å; A48-L71 HydrophobicContact CB-CD2 4.05Å |
| 49 | I | 63 | Low | 58.2 | Low | 47 Ų | 47 | 83.6 Ų | 83.6 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 176.7 | -67.2 | 171.8 | 0 | 0 | 0 | 110.9 | K45 E46 A51 L52 D53 | K45-I49 HydrophobicContact CD-CD1 4.31Å; K45-I49 HydrophobicContact CG-CD1 3.79Å; K45-I49 WeakPolarHBondContact O-CG1 3.2Å; K45-I49 PolarHBondContact O-N 2.87Å; E46-I49 PolarHBondContact O-N 3.46Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 2.92Å; I49-L52 CarbonylContact O-C 3.58Å; I49-L52 WeakPolarHBondContact O-CA 3.34Å; I49-L52 WeakPolarHBondContact O-CB 3.36Å; I49-L52 PolarHBondContact O-N 2.96Å; I49-L52 VanDerWaalsContact O-N 3.13Å; I49-D53 PolarHBondContact O-N 3.34Å |
| 50 | K | 65 | Low | 57.7 | Low | 129 Ų | 129 | 86.7 Ų | 86.7 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.8 | -37.3 | 176 | -78.4 | 175.3 | 179.7 | 166 | 0 | 112.8 | E46 L52 D53 Q54 | E46-K50 WeakPolarHBondContact O-CB 3.41Å; E46-K50 WeakPolarHBondContact O-CG 3.42Å; E46-K50 PolarHBondContact O-N 3.41Å; K50-L52 VanDerWaalsContact C-N 3.33Å; K50-D53 PolarHBondContact O-N 2.94Å; K50-Q54 WeakPolarHBondContact O-CG 3.2Å; K50-Q54 PolarHBondContact O-N 2.86Å |
| 51 | A | 57.7 | Low | 57.9 | Low | 30 Ų | 30 | 84 Ų | 84 | 25% | 0.248 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L7 S47 A48 I49 D53 Q54 L55 | L7-A51 HydrophobicContact CD1-CB 4.11Å; S47-A51 VanDerWaalsContact O-CB 3.26Å; S47-A51 WeakPolarHBondContact O-CB 3.28Å; S47-A51 PolarHBondContact O-N 3.47Å; A48-A51 PolarHBondContact O-N 3.33Å; I49-A51 VanDerWaalsContact C-N 3.32Å; I49-A51 PolarHBondContact O-N 2.92Å; A51-D53 VanDerWaalsContact C-N 3.33Å; A51-Q54 PolarHBondContact O-N 3.17Å; A51-L55 WeakPolarHBondContact O-CD1 3.23Å |
| 52 | L | 57.7 | Low | 57.8 | Low | 20 Ų | 20 | 89 Ų | 89 | 11% | 0.105 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66 | -32.8 | 171.6 | -71.7 | 170 | 0 | 0 | 0 | 112.4 | A48 I49 K50 L55 K64 L67 L71 | A48-L52 WeakPolarHBondContact O-CB 3.33Å; A48-L52 VanDerWaalsContact O-CG 3.26Å; A48-L52 WeakPolarHBondContact O-CG 3.21Å; A48-L52 PolarHBondContact O-N 3.34Å; I49-L52 CarbonylContact O-C 3.58Å; I49-L52 WeakPolarHBondContact O-CA 3.34Å; I49-L52 WeakPolarHBondContact O-CB 3.36Å; I49-L52 PolarHBondContact O-N 2.96Å; I49-L52 VanDerWaalsContact O-N 3.13Å; K50-L52 VanDerWaalsContact C-N 3.33Å; L52-L55 HydrophobicContact CD2-CD1 4.35Å; L52-L55 WeakPolarHBondContact O-CB 3.23Å; L52-L55 PolarHBondContact O-N 3.37Å; L52-K64 HydrophobicContact CB-CG 4.21Å; L52-K64 HydrophobicContact CD2-CG 4.39Å; L52-K64 WeakPolarHBondContact O-CD 3.15Å; L52-K64 WeakPolarHBondContact O-CE 3.31Å; L52-K64 PolarHBondContact O-NZ 3.37Å; L52-L67 HydrophobicContact CD1-CB 4.27Å; L52-L71 HydrophobicContact CD1-CD1 4.36Å |
| 53 | D | 62.3 | Low | 57.2 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.9 | -29.1 | 174.9 | -74.1 | -21.7 | 0 | 0 | 0 | 113.7 | I49 K50 A51 L55 K64 | I49-D53 PolarHBondContact O-N 3.34Å; K50-D53 PolarHBondContact O-N 2.94Å; A51-D53 VanDerWaalsContact C-N 3.33Å; D53-L55 PolarHBondContact O-N 2.85Å; D53-K64 VanDerWaalsContact OD1-CE 3.31Å; D53-K64 WeakPolarHBondContact OD1-CE 3.32Å; D53-K64 IonicContact OD1-NZ 2.74Å; D53-K64 PolarHBondContact OD1-NZ 2.87Å |
| 54 | Q | 57.5 | Low | 57 | Low | 172 Ų | 172 | 89.1 Ų | 89.1 | 80% | 0.804 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.8 | 174.8 | -70.7 | 179.4 | -0.3 | 0 | 0 | 114.4 | K50 A51 D56 | K50-Q54 WeakPolarHBondContact O-CG 3.2Å; K50-Q54 PolarHBondContact O-N 2.86Å; A51-Q54 PolarHBondContact O-N 3.17Å; Q54-D56 VanDerWaalsContact C-N 3.35Å |
| 55 | L | 56.6 | Low | 57.3 | Low | 62 Ų | 62 | 89.2 Ų | 89.2 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 20.4 | -178.7 | -90.2 | 151.9 | 0 | 0 | 0 | 113.6 | F4 A51 L52 D53 D57 T58 | F4-L55 HydrophobicContact CE2-CD1 4.09Å; F4-L55 HydrophobicContact CE2-CD2 3.99Å; F4-L55 HydrophobicContact CZ-CD1 4.04Å; A51-L55 WeakPolarHBondContact O-CD1 3.23Å; L52-L55 HydrophobicContact CD2-CD1 4.35Å; L52-L55 WeakPolarHBondContact O-CB 3.23Å; L52-L55 PolarHBondContact O-N 3.37Å; D53-L55 PolarHBondContact O-N 2.85Å; L55-D57 PolarHBondContact O-N 3.3Å; L55-T58 PolarHBondContact O-N 3.46Å; L55-T58 PolarHBondContact O-OG1 2.7Å |
| 56 | D | 48.6 | Very low | 57.1 | Low | 113 Ų | 113 | 90 Ų | 90 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -8.7 | -168.3 | -87.5 | -17.5 | 0 | 0 | 0 | 117.7 | Q54 | Q54-D56 VanDerWaalsContact C-N 3.35Š|
| 57 | D | 51.6 | Low | 56.6 | Low | 166 Ų | 166 | 88.7 Ų | 88.7 | 89% | 0.888 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 25.1 | -177.7 | -76.7 | -36.9 | 0 | 0 | 0 | 115.1 | L55 | L55-D57 PolarHBondContact O-N 3.3Š|
| 58 | T | 56.3 | Low | 57 | Low | 63 Ų | 63 | 86.9 Ų | 86.9 | 39% | 0.387 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -128.4 | 143.1 | -178.5 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | L55 Y60 | L55-T58 PolarHBondContact O-N 3.46Å; L55-T58 PolarHBondContact O-OG1 2.7Å; T58-Y60 PolarHBondContact O-N 2.89Å |
| 59 | P | 50.6 | Low | 57.6 | Low | 115 Ų | 115 | 90.8 Ų | 90.8 | 75% | 0.747 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -72.4 | 18.6 | -174.4 | 30.7 | -36.8 | 0 | 0 | 0 | 115 | ||
| 60 | Y | 52.4 | Low | 57.6 | Low | 155 Ų | 155 | 96.3 Ų | 96.3 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | trans | -106.5 | 39.2 | -171.1 | -59 | -73.6 | 0 | 0 | 0 | 113.3 | T58 E62 L63 K64 | T58-Y60 PolarHBondContact O-N 2.89Å; Y60-E62 VanDerWaalsContact C-N 3.3Å; Y60-E62 PolarHBondContact O-N 2.89Å; Y60-L63 PolarHBondContact O-N 3.49Å; Y60-L63 VanDerWaalsContact O-N 3.14Å; Y60-K64 PolarHBondContact O-N 3.37Å | ||
| 61 | Q | 56.1 | Low | 57.3 | Low | 110 Ų | 110 | 92.5 Ų | 92.5 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.9 | -36.7 | -177.2 | -70.8 | -69.2 | -8.4 | 0 | 0 | 113.2 | K64 A65 | Q61-K64 PolarHBondContact O-N 2.82Å; Q61-A65 PolarHBondContact O-N 3.4Å |
| 62 | E | 54.3 | Low | 57.8 | Low | 177 Ų | 177 | 94.7 Ų | 94.7 | 83% | 0.827 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.9 | -37.3 | 176.4 | -67.9 | -176.4 | 170.2 | 0 | 0 | 112.7 | Y60 A65 S66 | Y60-E62 VanDerWaalsContact C-N 3.3Å; Y60-E62 PolarHBondContact O-N 2.89Å; E62-A65 PolarHBondContact O-N 3.06Å; E62-S66 WeakPolarHBondContact O-CB 2.95Å; E62-S66 PolarHBondContact O-N 3.44Å |
| 63 | L | 53.8 | Low | 58.5 | Low | 107 Ų | 107 | 97 Ų | 97 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.9 | -39.2 | 177.3 | -168 | 72.5 | 0 | 0 | 0 | 110.8 | Y60 S66 L67 | Y60-L63 PolarHBondContact O-N 3.49Å; Y60-L63 VanDerWaalsContact O-N 3.14Å; L63-S66 PolarHBondContact O-N 2.87Å; L63-L67 HydrophobicContact CD1-CD1 4.34Å; L63-L67 HydrophobicContact CG-CD1 3.97Å; L63-L67 WeakPolarHBondContact O-CB 3.07Å; L63-L67 WeakPolarHBondContact O-CD1 3.43Å; L63-L67 PolarHBondContact O-N 3.33Å |
| 64 | K | 55.1 | Low | 58.5 | Low | 43 Ų | 43 | 97.5 Ų | 97.5 | 19% | 0.187 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 173.4 | 179.2 | 179.2 | 170.9 | 178.6 | 0 | 111.2 | L52 D53 Y60 Q61 S66 L67 A68 | L52-K64 HydrophobicContact CB-CG 4.21Å; L52-K64 HydrophobicContact CD2-CG 4.39Å; L52-K64 WeakPolarHBondContact O-CD 3.15Å; L52-K64 WeakPolarHBondContact O-CE 3.31Å; L52-K64 PolarHBondContact O-NZ 3.37Å; D53-K64 VanDerWaalsContact OD1-CE 3.31Å; D53-K64 WeakPolarHBondContact OD1-CE 3.32Å; D53-K64 IonicContact OD1-NZ 2.74Å; D53-K64 PolarHBondContact OD1-NZ 2.87Å; Y60-K64 PolarHBondContact O-N 3.37Å; Q61-K64 PolarHBondContact O-N 2.82Å; K64-S66 PolarHBondContact O-N 3.4Å; K64-L67 PolarHBondContact O-N 3.3Å; K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 3.45Å |
| 65 | A | 62.4 | Low | 58.6 | Low | 60 Ų | 60 | 90 Ų | 90 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q61 E62 A68 Q69 | Q61-A65 PolarHBondContact O-N 3.4Å; E62-A65 PolarHBondContact O-N 3.06Å; A65-A68 PolarHBondContact O-N 3.32Å; A65-Q69 WeakPolarHBondContact O-CB 3.26Å; A65-Q69 PolarHBondContact O-N 2.9Å |
| 66 | S | 59.6 | Low | 59.3 | Low | 50 Ų | 50 | 90.9 Ų | 90.9 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 176.5 | -169.1 | 0 | 0 | 0 | 0 | 112.5 | E62 L63 K64 R70 | E62-S66 WeakPolarHBondContact O-CB 2.95Å; E62-S66 PolarHBondContact O-N 3.44Å; L63-S66 PolarHBondContact O-N 2.87Å; K64-S66 PolarHBondContact O-N 3.4Å; S66-R70 WeakPolarHBondContact O-CB 3.42Å; S66-R70 WeakPolarHBondContact O-CG 3.43Å; S66-R70 PolarHBondContact O-N 3.14Å; S66-R70 PolarHBondContact OG-NE 3.08Å |
| 67 | L | 56.7 | Low | 59.8 | Low | 71 Ų | 71 | 89.8 Ų | 89.8 | 37% | 0.372 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 176.4 | -105.6 | 106.3 | 0 | 0 | 0 | 112 | L52 L63 K64 Q69 R70 L71 | L52-L67 HydrophobicContact CD1-CB 4.27Å; L63-L67 HydrophobicContact CD1-CD1 4.34Å; L63-L67 HydrophobicContact CG-CD1 3.97Å; L63-L67 WeakPolarHBondContact O-CB 3.07Å; L63-L67 WeakPolarHBondContact O-CD1 3.43Å; L63-L67 PolarHBondContact O-N 3.33Å; K64-L67 PolarHBondContact O-N 3.3Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 3.44Å; L67-R70 PolarHBondContact O-N 2.94Å; L67-L71 WeakPolarHBondContact O-CB 3.45Å; L67-L71 WeakPolarHBondContact O-CD1 3.31Å; L67-L71 PolarHBondContact O-N 3.05Å |
| 68 | A | 64.3 | Low | 60 | Low | 30 Ų | 30 | 85.2 Ų | 85.2 | 25% | 0.248 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | K64 A65 L71 E72 | K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 3.45Å; A65-A68 PolarHBondContact O-N 3.32Å; A68-L71 PolarHBondContact O-N 3.38Å; A68-E72 WeakPolarHBondContact O-CB 3.32Å; A68-E72 PolarHBondContact O-N 3.37Å |
| 69 | Q | 67.5 | Low | 60.3 | Low | 103 Ų | 103 | 86.1 Ų | 86.1 | 48% | 0.481 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 176.4 | -170.2 | 64 | 37.9 | 0 | 0 | 111.8 | A65 L67 L71 E72 D73 | A65-Q69 WeakPolarHBondContact O-CB 3.26Å; A65-Q69 PolarHBondContact O-N 2.9Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 3.44Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 2.91Å; Q69-E72 WeakPolarHBondContact O-CB 3.44Å; Q69-E72 PolarHBondContact O-N 3.45Å; Q69-D73 PolarHBondContact NE2-OD1 2.81Å; Q69-D73 PolarHBondContact O-N 3.5Å |
| 70 | R | 64 | Low | 61.1 | Low | 163 Ų | 163 | 86.1 Ų | 86.1 | 62% | 0.615 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 177.8 | -73.7 | 169.6 | -175.5 | -100 | 2.5 | 112.4 | S66 L67 E72 D73 I74 | S66-R70 WeakPolarHBondContact O-CB 3.42Å; S66-R70 WeakPolarHBondContact O-CG 3.43Å; S66-R70 PolarHBondContact O-N 3.14Å; S66-R70 PolarHBondContact OG-NE 3.08Å; L67-R70 PolarHBondContact O-N 2.94Å; R70-E72 VanDerWaalsContact C-N 3.33Å; R70-D73 PolarHBondContact O-N 3.32Å; R70-I74 WeakPolarHBondContact O-CB 3.42Å; R70-I74 WeakPolarHBondContact O-CD1 3.2Å; R70-I74 WeakPolarHBondContact O-CG1 3.45Å; R70-I74 PolarHBondContact O-N 3.45Å |
| 71 | L | 58.4 | Low | 61.6 | Low | 49 Ų | 49 | 83.6 Ų | 83.6 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 174.8 | -95.6 | 143.5 | 0 | 0 | 0 | 112 | A48 L52 L67 A68 Q69 H75 | A48-L71 HydrophobicContact CB-CD1 4.05Å; A48-L71 HydrophobicContact CB-CD2 4.05Å; L52-L71 HydrophobicContact CD1-CD1 4.36Å; L67-L71 WeakPolarHBondContact O-CB 3.45Å; L67-L71 WeakPolarHBondContact O-CD1 3.31Å; L67-L71 PolarHBondContact O-N 3.05Å; A68-L71 PolarHBondContact O-N 3.38Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 2.91Å; L71-H75 WeakPolarHBondContact O-CB 3.35Å; L71-H75 PolarHBondContact O-N 2.93Å |
| 72 | E | 69.1 | Low | 61.5 | Low | 76 Ų | 76 | 80.5 Ų | 80.5 | 36% | 0.355 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.3 | -46 | 175.6 | -169.6 | 124.1 | -122.1 | 0 | 0 | 111.8 | K45 A68 Q69 R70 I74 H75 N76 | K45-E72 IonicContact NZ-OE1 3.93Å; K45-E72 PolarHBondContact NZ-OE1 3.33Å; A68-E72 WeakPolarHBondContact O-CB 3.32Å; A68-E72 PolarHBondContact O-N 3.37Å; Q69-E72 WeakPolarHBondContact O-CB 3.44Å; Q69-E72 PolarHBondContact O-N 3.45Å; R70-E72 VanDerWaalsContact C-N 3.33Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 2.98Å; E72-H75 PolarHBondContact O-N 3.46Å; E72-N76 WeakPolarHBondContact O-CB 3.44Å; E72-N76 PolarHBondContact O-N 2.93Å; E72-N76 PolarHBondContact O-ND2 3.37Å |
| 73 | D | 71.1 | Confident | 61.8 | Low | 69 Ų | 69 | 76.1 Ų | 76.1 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 178.3 | -64.8 | -23 | 0 | 0 | 0 | 111.6 | Q69 R70 N77 | Q69-D73 PolarHBondContact NE2-OD1 2.81Å; Q69-D73 PolarHBondContact O-N 3.5Å; R70-D73 PolarHBondContact O-N 3.32Å; D73-N77 WeakPolarHBondContact O-CB 3.48Å; D73-N77 PolarHBondContact O-N 2.84Å; D73-N77 PolarHBondContact O-ND2 3.49Å |
| 74 | I | 62.8 | Low | 62.1 | Low | 93 Ų | 93 | 78.1 Ų | 78.1 | 48% | 0.477 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 175 | -71.7 | 166 | 0 | 0 | 0 | 110.9 | M41 R70 E72 N76 N77 I78 | M41-I74 HydrophobicContact CE-CG2 4.31Å; R70-I74 WeakPolarHBondContact O-CB 3.42Å; R70-I74 WeakPolarHBondContact O-CD1 3.2Å; R70-I74 WeakPolarHBondContact O-CG1 3.45Å; R70-I74 PolarHBondContact O-N 3.45Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 2.98Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 3.15Å; I74-N77 PolarHBondContact O-N 3.3Å; I74-I78 HydrophobicContact CG2-CD1 3.68Å; I74-I78 WeakPolarHBondContact O-CB 3.43Å; I74-I78 VanDerWaalsContact O-CG1 3.31Å; I74-I78 WeakPolarHBondContact O-CG1 3.34Å; I74-I78 PolarHBondContact O-N 3.22Å |
| 75 | H | 60.3 | Low | 61.9 | Low | 15 Ų | 15 | 77.9 Ų | 77.9 | 7% | 0.069 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 178.5 | -178.3 | 82.6 | 0 | 0 | 0 | 111.6 | K45 L71 E72 I78 K79 | K45-H75 HydrophobicContact CD-CB 4Å; L71-H75 WeakPolarHBondContact O-CB 3.35Å; L71-H75 PolarHBondContact O-N 2.93Å; E72-H75 PolarHBondContact O-N 3.46Å; H75-I78 PolarHBondContact O-N 2.97Å; H75-K79 WeakPolarHBondContact NE2-CE 3.37Å; H75-K79 PolarHBondContact O-N 3.47Å |
| 76 | N | 69.6 | Low | 61.4 | Low | 80 Ų | 80 | 79.4 Ų | 79.4 | 43% | 0.428 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | -179.2 | -69.2 | -20.9 | 0 | 0 | 0 | 112.1 | E72 I74 I78 K79 Q80 | E72-N76 WeakPolarHBondContact O-CB 3.44Å; E72-N76 PolarHBondContact O-N 2.93Å; E72-N76 PolarHBondContact O-ND2 3.37Å; I74-N76 VanDerWaalsContact C-N 3.32Å; I74-N76 PolarHBondContact O-N 3.15Å; N76-I78 VanDerWaalsContact C-N 3.35Å; N76-I78 PolarHBondContact O-N 3.49Å; N76-K79 PolarHBondContact O-N 3.3Å; N76-Q80 WeakPolarHBondContact O-CB 3.41Å; N76-Q80 PolarHBondContact O-N 3.47Å |
| 77 | N | 59.6 | Low | 61.1 | Low | 90 Ų | 90 | 82.3 Ų | 82.3 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 174.6 | -83.9 | -54.7 | 0 | 0 | 0 | 111.8 | D73 I74 Q80 M81 | D73-N77 WeakPolarHBondContact O-CB 3.48Å; D73-N77 PolarHBondContact O-N 2.84Å; D73-N77 PolarHBondContact O-ND2 3.49Å; I74-N77 PolarHBondContact O-N 3.3Å; N77-Q80 PolarHBondContact O-N 3.31Å; N77-M81 WeakPolarHBondContact O-CG 3.32Å; N77-M81 PolarHBondContact O-N 2.98Å |
| 78 | I | 57.1 | Low | 60.7 | Low | 70 Ų | 70 | 85.9 Ų | 85.9 | 36% | 0.359 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 178 | -71.6 | 167 | 0 | 0 | 0 | 111.2 | M41 I74 H75 N76 Q80 M81 Q82 | M41-I78 HydrophobicContact CE-CD1 3.36Å; M41-I78 HydrophobicContact SD-CD1 4.5Å; I74-I78 HydrophobicContact CG2-CD1 3.68Å; I74-I78 WeakPolarHBondContact O-CB 3.43Å; I74-I78 VanDerWaalsContact O-CG1 3.31Å; I74-I78 WeakPolarHBondContact O-CG1 3.34Å; I74-I78 PolarHBondContact O-N 3.22Å; H75-I78 PolarHBondContact O-N 2.97Å; N76-I78 VanDerWaalsContact C-N 3.35Å; N76-I78 PolarHBondContact O-N 3.49Å; I78-Q80 VanDerWaalsContact C-N 3.35Å; I78-Q80 PolarHBondContact O-N 2.98Å; I78-M81 PolarHBondContact O-N 3.14Å; I78-Q82 VanDerWaalsContact O-CB 3.26Å; I78-Q82 WeakPolarHBondContact O-CB 3.34Å; I78-Q82 PolarHBondContact O-N 2.93Å |
| 79 | K | 62.6 | Low | 60.3 | Low | 82 Ų | 82 | 88.1 Ų | 88.1 | 36% | 0.357 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 174.7 | -82.4 | -159.4 | 168.2 | -177.4 | 0 | 112.9 | D38 H75 N76 Q82 A83 | D38-K79 WeakPolarHBondContact OD1-CE 3.37Å; D38-K79 IonicContact OD1-NZ 3.64Å; D38-K79 IonicContact OD2-NZ 3.27Å; H75-K79 WeakPolarHBondContact NE2-CE 3.37Å; H75-K79 PolarHBondContact O-N 3.47Å; N76-K79 PolarHBondContact O-N 3.3Å; K79-Q82 PolarHBondContact O-N 2.86Å; K79-A83 WeakPolarHBondContact O-CB 3.23Å; K79-A83 PolarHBondContact O-N 2.88Å |
| 80 | Q | 67.1 | Low | 59.4 | Low | 115 Ų | 115 | 90 Ų | 90 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 177.4 | -169 | 175.2 | 17.7 | 0 | 0 | 111.3 | N76 N77 I78 A83 Q84 | N76-Q80 WeakPolarHBondContact O-CB 3.41Å; N76-Q80 PolarHBondContact O-N 3.47Å; N77-Q80 PolarHBondContact O-N 3.31Å; I78-Q80 VanDerWaalsContact C-N 3.35Å; I78-Q80 PolarHBondContact O-N 2.98Å; Q80-A83 PolarHBondContact O-N 3.2Å; Q80-Q84 WeakPolarHBondContact O-CG 3.27Å; Q80-Q84 PolarHBondContact O-N 3.01Å |
| 81 | M | 62.5 | Low | 58.7 | Low | 103 Ų | 103 | 86.6 Ų | 86.6 | 51% | 0.507 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 173.1 | -70.4 | -178.8 | 85.2 | 0 | 0 | 110.9 | N77 I78 A83 Q84 V85 | N77-M81 WeakPolarHBondContact O-CG 3.32Å; N77-M81 PolarHBondContact O-N 2.98Å; I78-M81 PolarHBondContact O-N 3.14Å; M81-A83 VanDerWaalsContact C-N 3.3Å; M81-A83 PolarHBondContact O-N 3.46Å; M81-Q84 PolarHBondContact O-N 2.9Å; M81-Q84 VanDerWaalsContact O-N 3.08Å; M81-V85 WeakPolarHBondContact O-CG2 3.49Å; M81-V85 PolarHBondContact O-N 3.32Å |
| 82 | Q | 52.7 | Low | 58.4 | Low | 45 Ų | 45 | 86.3 Ų | 86.3 | 21% | 0.21 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 178.8 | -175.4 | -175.7 | -9.9 | 0 | 0 | 112.8 | R34 I78 K79 V85 | R34-Q82 HydrophobicContact CG-CG 4.26Å; R34-Q82 PolarHBondContact NH2-O 2.96Å; I78-Q82 VanDerWaalsContact O-CB 3.26Å; I78-Q82 WeakPolarHBondContact O-CB 3.34Å; I78-Q82 PolarHBondContact O-N 2.93Å; K79-Q82 PolarHBondContact O-N 2.86Å; Q82-V85 PolarHBondContact O-N 3.49Å |
| 83 | A | 62.2 | Low | 57.5 | Low | 84 Ų | 84 | 87.2 Ų | 87.2 | 69% | 0.694 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.5 | -30.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K79 Q80 M81 V85 | K79-A83 WeakPolarHBondContact O-CB 3.23Å; K79-A83 PolarHBondContact O-N 2.88Å; Q80-A83 PolarHBondContact O-N 3.2Å; M81-A83 VanDerWaalsContact C-N 3.3Å; M81-A83 PolarHBondContact O-N 3.46Å; A83-V85 VanDerWaalsContact C-N 3.28Å |
| 84 | Q | 58.3 | Low | 56.5 | Low | 149 Ų | 149 | 86.8 Ų | 86.8 | 70% | 0.696 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -76.9 | -15.1 | 175.8 | -70.2 | 176.5 | 18.5 | 0 | 0 | 112.9 | Q80 M81 S86 | Q80-Q84 WeakPolarHBondContact O-CG 3.27Å; Q80-Q84 PolarHBondContact O-N 3.01Å; M81-Q84 PolarHBondContact O-N 2.9Å; M81-Q84 VanDerWaalsContact O-N 3.08Å; Q84-S86 PolarHBondContact O-N 3.42Å |
| 85 | V | 51.8 | Low | 56 | Low | 38 Ų | 38 | 85.9 Ų | 85.9 | 23% | 0.23 | 49% | 0.487 | C | S | . | . | trans | -97.7 | 87.4 | 178.4 | -168 | 0 | 0 | 0 | 0 | 110.9 | R34 M81 Q82 A83 V92 | R34-V85 VanDerWaalsContact CZ-O 3.31Å; R34-V85 PolarHBondContact NH1-O 3.43Å; R34-V85 PolarHBondContact NH2-O 2.9Å; M81-V85 WeakPolarHBondContact O-CG2 3.49Å; M81-V85 PolarHBondContact O-N 3.32Å; Q82-V85 PolarHBondContact O-N 3.49Å; A83-V85 VanDerWaalsContact C-N 3.28Å; V85-V92 HydrophobicContact CB-CG1 4.43Å; V85-V92 HydrophobicContact CG1-CB 4.19Å; V85-V92 HydrophobicContact CG1-CG1 3.59Å; V85-V92 HydrophobicContact CG1-CG2 4.24Å; V85-V92 HydrophobicContact CG2-CG1 3.93Å | ||
| 86 | S | 51.1 | Low | 55.6 | Low | 93 Ų | 93 | 88.2 Ų | 88.2 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | trans | -89.9 | 167.9 | 163.9 | -149.5 | 0 | 0 | 0 | 0 | 110.2 | Q84 M88 | Q84-S86 PolarHBondContact O-N 3.42Å; S86-M88 PolarHBondContact O-N 2.97Å | ||
| 87 | P | 54.7 | Low | 54.8 | Low | 110 Ų | 110 | 87.8 Ų | 87.8 | 71% | 0.714 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -75.7 | 93.9 | -147.6 | 34.4 | -35.9 | 0 | 0 | 0 | 113.1 | ||
| 88 | M | 47.8 | Very low | 54.8 | Low | 146 Ų | 146 | 89.1 Ų | 89.1 | 72% | 0.719 | 51% | 0.51 | S | S | * | . | trans | -139.7 | 84.7 | 165.3 | -144 | 100.8 | 169.4 | 0 | 0 | 107.4 | S86 D90 | S86-M88 PolarHBondContact O-N 2.97Å; M88-D90 PolarHBondContact O-N 3.47Å | ||
| 89 | T | 56.9 | Low | 54.7 | Low | 78 Ų | 78 | 89.2 Ų | 89.2 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 57.5 | -154.6 | -27 | 0 | 0 | 0 | 0 | 115.2 | L30 | L30-T89 HydrophobicContact CD1-CG2 3.88Š|
| 90 | D | 47.7 | Very low | 54.1 | Low | 142 Ų | 142 | 88.1 Ų | 88.1 | 76% | 0.759 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.8 | -45.2 | 161.5 | -84.2 | -42.1 | 0 | 0 | 0 | 111.5 | M88 V92 S94 | M88-D90 PolarHBondContact O-N 3.47Å; D90-V92 PolarHBondContact O-N 3.45Å; D90-S94 PolarHBondContact O-N 3.39Å |
| 91 | T | 48.6 | Very low | 54 | Low | 92 Ų | 92 | 85.1 Ų | 85.1 | 56% | 0.564 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | 179.1 | 29.2 | 0 | 0 | 0 | 0 | 112.9 | V93 S94 S95 | T91-V93 PolarHBondContact O-N 2.86Å; T91-S94 PolarHBondContact O-N 3.39Å; T91-S94 PolarHBondContact O-OG 3Å; T91-S95 WeakPolarHBondContact O-CB 3.1Å; T91-S95 PolarHBondContact O-N 2.64Å; T91-S95 PolarHBondContact O-OG 2.81Å; T91-S95 VanDerWaalsContact O-OG 3.13Å |
| 92 | V | 52.8 | Low | 54.3 | Low | 43 Ų | 43 | 88 Ų | 88 | 26% | 0.261 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.9 | -34.9 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 112.6 | V85 D90 S95 I96 | V85-V92 HydrophobicContact CB-CG1 4.43Å; V85-V92 HydrophobicContact CG1-CB 4.19Å; V85-V92 HydrophobicContact CG1-CG1 3.59Å; V85-V92 HydrophobicContact CG1-CG2 4.24Å; V85-V92 HydrophobicContact CG2-CG1 3.93Å; D90-V92 PolarHBondContact O-N 3.45Å; V92-S95 PolarHBondContact O-N 2.93Å; V92-I96 HydrophobicContact CG1-CD1 3.46Å; V92-I96 VanDerWaalsContact CG1-CD1 3.46Å; V92-I96 HydrophobicContact CG1-CG1 4.03Å; V92-I96 VanDerWaalsContact O-CB 3.29Å; V92-I96 WeakPolarHBondContact O-CB 3.3Å; V92-I96 WeakPolarHBondContact O-CG1 3.28Å; V92-I96 PolarHBondContact O-N 3.26Å |
| 93 | V | 49.5 | Very low | 54.7 | Low | 95 Ų | 95 | 90.7 Ų | 90.7 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.3 | -41.3 | 177 | 178 | 0 | 0 | 0 | 0 | 110.4 | T91 S97 | T91-V93 PolarHBondContact O-N 2.86Å; V93-S97 VanDerWaalsContact O-CB 3.27Å; V93-S97 WeakPolarHBondContact O-CB 3.35Å; V93-S97 PolarHBondContact O-N 2.89Å |
| 94 | S | 51.6 | Low | 54.5 | Low | 60 Ų | 60 | 95.8 Ų | 95.8 | 42% | 0.42 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 175.4 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | D90 T91 I96 S97 D98 | D90-S94 PolarHBondContact O-N 3.39Å; T91-S94 PolarHBondContact O-N 3.39Å; T91-S94 PolarHBondContact O-OG 3Å; S94-I96 PolarHBondContact O-N 2.83Å; S94-S97 WeakPolarHBondContact O-CB 3.3Å; S94-S97 PolarHBondContact O-N 2.96Å; S94-D98 PolarHBondContact O-N 3.13Å |
| 95 | S | 51.1 | Low | 55 | Low | 73 Ų | 73 | 91.7 Ų | 91.7 | 51% | 0.51 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.7 | -33.3 | 179.7 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | T91 V92 A99 | T91-S95 WeakPolarHBondContact O-CB 3.1Å; T91-S95 PolarHBondContact O-N 2.64Å; T91-S95 PolarHBondContact O-OG 2.81Å; T91-S95 VanDerWaalsContact O-OG 3.13Å; V92-S95 PolarHBondContact O-N 2.93Å; S95-A99 WeakPolarHBondContact O-CB 3.46Å; S95-A99 PolarHBondContact O-N 3.05Å |
| 96 | I | 51.8 | Low | 55.5 | Low | 65 Ų | 65 | 92.8 Ų | 92.8 | 33% | 0.333 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.6 | -40.5 | 172.7 | -69.2 | 172.8 | 0 | 0 | 0 | 110.5 | V92 S94 D98 A99 T100 | V92-I96 HydrophobicContact CG1-CD1 3.46Å; V92-I96 VanDerWaalsContact CG1-CD1 3.46Å; V92-I96 HydrophobicContact CG1-CG1 4.03Å; V92-I96 VanDerWaalsContact O-CB 3.29Å; V92-I96 WeakPolarHBondContact O-CB 3.3Å; V92-I96 WeakPolarHBondContact O-CG1 3.28Å; V92-I96 PolarHBondContact O-N 3.26Å; S94-I96 PolarHBondContact O-N 2.83Å; I96-D98 VanDerWaalsContact C-N 3.31Å; I96-D98 PolarHBondContact O-N 2.92Å; I96-A99 PolarHBondContact O-N 3.11Å; I96-T100 HydrophobicContact CG2-CG2 4.05Å; I96-T100 VanDerWaalsContact O-CB 3.28Å; I96-T100 WeakPolarHBondContact O-CB 3.39Å; I96-T100 VanDerWaalsContact O-CG2 3.3Å; I96-T100 WeakPolarHBondContact O-CG2 3.42Å; I96-T100 PolarHBondContact O-N 3.46Å; I96-T100 PolarHBondContact O-OG1 3.47Å |
| 97 | S | 52.7 | Low | 55.8 | Low | 70 Ų | 70 | 92.3 Ų | 92.3 | 49% | 0.49 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | V93 S94 T100 A101 | V93-S97 VanDerWaalsContact O-CB 3.27Å; V93-S97 WeakPolarHBondContact O-CB 3.35Å; V93-S97 PolarHBondContact O-N 2.89Å; S94-S97 WeakPolarHBondContact O-CB 3.3Å; S94-S97 PolarHBondContact O-N 2.96Å; S97-T100 PolarHBondContact O-N 3.5Å; S97-T100 PolarHBondContact O-OG1 3.49Å; S97-A101 PolarHBondContact O-N 2.95Å; S97-A101 VanDerWaalsContact O-N 3.08Å |
| 98 | D | 59.2 | Low | 56.1 | Low | 119 Ų | 119 | 89.8 Ų | 89.8 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71 | -41.7 | 178.7 | -68.4 | -16.2 | 0 | 0 | 0 | 111.7 | S94 I96 T100 A101 | S94-D98 PolarHBondContact O-N 3.13Å; I96-D98 VanDerWaalsContact C-N 3.31Å; I96-D98 PolarHBondContact O-N 2.92Å; D98-T100 VanDerWaalsContact C-N 3.29Å; D98-T100 PolarHBondContact O-N 3.42Å; D98-A101 WeakPolarHBondContact O-CB 3.31Å; D98-A101 PolarHBondContact O-N 3.42Å |
| 99 | A | 55.6 | Low | 57.3 | Low | 72 Ų | 72 | 85.7 Ų | 85.7 | 60% | 0.595 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.3 | -24 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S95 I96 | S95-A99 WeakPolarHBondContact O-CB 3.46Å; S95-A99 PolarHBondContact O-N 3.05Å; I96-A99 PolarHBondContact O-N 3.11Å |
| 100 | T | 49.4 | Very low | 57.5 | Low | 58 Ų | 58 | 86.5 Ų | 86.5 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -95.7 | -6.6 | 177.2 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | I96 S97 D98 L103 R104 | I96-T100 HydrophobicContact CG2-CG2 4.05Å; I96-T100 VanDerWaalsContact O-CB 3.28Å; I96-T100 WeakPolarHBondContact O-CB 3.39Å; I96-T100 VanDerWaalsContact O-CG2 3.3Å; I96-T100 WeakPolarHBondContact O-CG2 3.42Å; I96-T100 PolarHBondContact O-N 3.46Å; I96-T100 PolarHBondContact O-OG1 3.47Å; S97-T100 PolarHBondContact O-N 3.5Å; S97-T100 PolarHBondContact O-OG1 3.49Å; D98-T100 VanDerWaalsContact C-N 3.29Å; D98-T100 PolarHBondContact O-N 3.42Å; T100-L103 PolarHBondContact O-N 2.99Å; T100-R104 VanDerWaalsContact O-CB 3.31Å; T100-R104 WeakPolarHBondContact O-CB 3.31Å; T100-R104 PolarHBondContact O-N 3.17Å |
| 101 | A | 65.1 | Low | 57.9 | Low | 52 Ų | 52 | 83.1 Ų | 83.1 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S97 D98 R104 A105 | S97-A101 PolarHBondContact O-N 2.95Å; S97-A101 VanDerWaalsContact O-N 3.08Å; D98-A101 WeakPolarHBondContact O-CB 3.31Å; D98-A101 PolarHBondContact O-N 3.42Å; A101-R104 PolarHBondContact O-N 3.11Å; A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.26Å |
| 102 | E | 68.9 | Low | 58.9 | Low | 164 Ų | 164 | 83.9 Ų | 83.9 | 77% | 0.766 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 175.1 | -73 | -177.2 | 171.1 | 0 | 0 | 111.9 | R104 A105 S106 | E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 3.41Å; E102-A105 PolarHBondContact O-N 3.06Å; E102-S106 WeakPolarHBondContact O-CB 3.44Å; E102-S106 PolarHBondContact O-N 3.43Å |
| 103 | L | 62.5 | Low | 59.8 | Low | 101 Ų | 101 | 84.5 Ų | 84.5 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.4 | -177.3 | 66 | 0 | 0 | 0 | 111.2 | T100 S106 I107 | T100-L103 PolarHBondContact O-N 2.99Å; L103-S106 PolarHBondContact O-N 3Å; L103-I107 HydrophobicContact CD1-CD1 4.22Å; L103-I107 HydrophobicContact CD1-CG1 4.5Å; L103-I107 HydrophobicContact CG-CD1 3.88Å; L103-I107 WeakPolarHBondContact O-CB 3.43Å; L103-I107 WeakPolarHBondContact O-CG1 3.35Å; L103-I107 PolarHBondContact O-N 3.44Å |
| 104 | R | 56.9 | Low | 60.5 | Low | 192 Ų | 192 | 84.6 Ų | 84.6 | 73% | 0.725 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.7 | -39.8 | 177.9 | -167.2 | 178 | -167.8 | 158.8 | 3.6 | 111.8 | T100 A101 E102 A108 | T100-R104 VanDerWaalsContact O-CB 3.31Å; T100-R104 WeakPolarHBondContact O-CB 3.31Å; T100-R104 PolarHBondContact O-N 3.17Å; A101-R104 PolarHBondContact O-N 3.11Å; E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 3.41Å; R104-A108 WeakPolarHBondContact O-CB 3.33Å; R104-A108 PolarHBondContact O-N 3.43Å |
| 105 | A | 69.9 | Low | 61 | Low | 63 Ų | 63 | 88.9 Ų | 88.9 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A101 E102 A108 A109 | A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.26Å; E102-A105 PolarHBondContact O-N 3.06Å; A105-A108 PolarHBondContact O-N 2.98Å; A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 3.46Å |
| 106 | S | 61.3 | Low | 62 | Low | 61 Ų | 61 | 88.7 Ų | 88.7 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 175 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | E102 L103 A108 A109 D110 | E102-S106 WeakPolarHBondContact O-CB 3.44Å; E102-S106 PolarHBondContact O-N 3.43Å; L103-S106 PolarHBondContact O-N 3Å; S106-A108 VanDerWaalsContact C-N 3.32Å; S106-A108 PolarHBondContact O-N 3.48Å; S106-A109 PolarHBondContact O-N 2.89Å; S106-D110 WeakPolarHBondContact O-CB 3.2Å; S106-D110 PolarHBondContact O-N 2.94Å |
| 107 | I | 57.5 | Low | 63 | Low | 83 Ų | 83 | 91.7 Ų | 91.7 | 43% | 0.426 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 176.4 | -70 | 166.9 | 0 | 0 | 0 | 111.3 | L103 D110 I111 | L103-I107 HydrophobicContact CD1-CD1 4.22Å; L103-I107 HydrophobicContact CD1-CG1 4.5Å; L103-I107 HydrophobicContact CG-CD1 3.88Å; L103-I107 WeakPolarHBondContact O-CB 3.43Å; L103-I107 WeakPolarHBondContact O-CG1 3.35Å; L103-I107 PolarHBondContact O-N 3.44Å; I107-D110 PolarHBondContact O-N 3.01Å; I107-I111 HydrophobicContact CG2-CD1 3.76Å; I107-I111 HydrophobicContact CG2-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CB 3.4Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 3.26Å |
| 108 | A | 61.3 | Low | 63.5 | Low | 57 Ų | 57 | 92.9 Ų | 92.9 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | R104 A105 S106 I111 E112 | R104-A108 WeakPolarHBondContact O-CB 3.33Å; R104-A108 PolarHBondContact O-N 3.43Å; A105-A108 PolarHBondContact O-N 2.98Å; S106-A108 VanDerWaalsContact C-N 3.32Å; S106-A108 PolarHBondContact O-N 3.48Å; A108-I111 PolarHBondContact O-N 3.43Å; A108-E112 PolarHBondContact O-N 3.3Å; A108-E112 VanDerWaalsContact O-N 3.07Å |
| 109 | A | 72.4 | Confident | 64.1 | Low | 59 Ų | 59 | 91 Ų | 91 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A105 S106 I111 E112 A113 | A105-A109 WeakPolarHBondContact O-CB 3.48Å; A105-A109 PolarHBondContact O-N 3.46Å; S106-A109 PolarHBondContact O-N 2.89Å; A109-I111 VanDerWaalsContact C-N 3.34Å; A109-I111 PolarHBondContact O-N 3.32Å; A109-E112 PolarHBondContact O-N 3.43Å; A109-A113 WeakPolarHBondContact O-CB 3.36Å; A109-A113 PolarHBondContact O-N 3.36Å |
| 110 | D | 61.4 | Low | 65.1 | Low | 95 Ų | 95 | 91 Ų | 91 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 177.1 | -75.5 | -12 | 0 | 0 | 0 | 111.8 | S106 I107 A113 L114 | S106-D110 WeakPolarHBondContact O-CB 3.2Å; S106-D110 PolarHBondContact O-N 2.94Å; I107-D110 PolarHBondContact O-N 3.01Å; D110-A113 PolarHBondContact O-N 3.36Å; D110-L114 VanDerWaalsContact O-CB 3.31Å; D110-L114 WeakPolarHBondContact O-CB 3.26Å; D110-L114 WeakPolarHBondContact O-CG 3.49Å; D110-L114 PolarHBondContact O-N 2.95Å |
| 111 | I | 57.3 | Low | 66 | Low | 71 Ų | 71 | 93.8 Ų | 93.8 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.1 | -73.5 | 168.5 | 0 | 0 | 0 | 110.7 | I107 A108 A109 L114 R115 | I107-I111 HydrophobicContact CG2-CD1 3.76Å; I107-I111 HydrophobicContact CG2-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CB 3.4Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 3.26Å; A108-I111 PolarHBondContact O-N 3.43Å; A109-I111 VanDerWaalsContact C-N 3.34Å; A109-I111 PolarHBondContact O-N 3.32Å; I111-L114 PolarHBondContact O-N 3.47Å; I111-R115 VanDerWaalsContact O-CB 3.28Å; I111-R115 WeakPolarHBondContact O-CB 3.44Å; I111-R115 PolarHBondContact O-N 3Å |
| 112 | E | 69.4 | Low | 65.9 | Low | 109 Ų | 109 | 98.6 Ų | 98.6 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70 | -36.5 | -179.6 | -157.1 | 63 | -155 | 0 | 0 | 111.5 | A108 A109 R115 A116 | A108-E112 PolarHBondContact O-N 3.3Å; A108-E112 VanDerWaalsContact O-N 3.07Å; A109-E112 PolarHBondContact O-N 3.43Å; E112-R115 PolarHBondContact O-N 2.89Å; E112-R115 IonicContact OE1-NH1 3.43Å; E112-A116 WeakPolarHBondContact O-CB 3.4Å; E112-A116 PolarHBondContact O-N 2.88Å |
| 113 | A | 71.9 | Confident | 66.1 | Low | 56 Ų | 56 | 93.6 Ų | 93.6 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A109 D110 R115 A116 E117 | A109-A113 WeakPolarHBondContact O-CB 3.36Å; A109-A113 PolarHBondContact O-N 3.36Å; D110-A113 PolarHBondContact O-N 3.36Å; A113-R115 VanDerWaalsContact C-N 3.28Å; A113-R115 PolarHBondContact O-N 3.33Å; A113-A116 PolarHBondContact O-N 3.29Å; A113-E117 WeakPolarHBondContact O-CB 3.41Å; A113-E117 PolarHBondContact O-N 2.92Å |
| 114 | L | 62.5 | Low | 66.6 | Low | 96 Ų | 96 | 95.8 Ų | 95.8 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 173.9 | -81.6 | 166.8 | 0 | 0 | 0 | 111.5 | D110 I111 E117 L118 | D110-L114 VanDerWaalsContact O-CB 3.31Å; D110-L114 WeakPolarHBondContact O-CB 3.26Å; D110-L114 WeakPolarHBondContact O-CG 3.49Å; D110-L114 PolarHBondContact O-N 2.95Å; I111-L114 PolarHBondContact O-N 3.47Å; L114-E117 PolarHBondContact O-N 3.17Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CD1 3.5Å; L114-L118 WeakPolarHBondContact O-CG 3.05Å; L114-L118 PolarHBondContact O-N 3Å |
| 115 | R | 62.4 | Low | 67 | Low | 150 Ų | 150 | 90 Ų | 90 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 177 | -167.1 | 179.1 | -176 | -151.3 | 2.2 | 111.2 | I111 E112 A113 E117 L118 E119 | I111-R115 VanDerWaalsContact O-CB 3.28Å; I111-R115 WeakPolarHBondContact O-CB 3.44Å; I111-R115 PolarHBondContact O-N 3Å; E112-R115 PolarHBondContact O-N 2.89Å; E112-R115 IonicContact OE1-NH1 3.43Å; A113-R115 VanDerWaalsContact C-N 3.28Å; A113-R115 PolarHBondContact O-N 3.33Å; R115-E117 VanDerWaalsContact C-N 3.33Å; R115-E117 PolarHBondContact O-N 3.41Å; R115-L118 PolarHBondContact O-N 3.24Å; R115-E119 WeakPolarHBondContact O-CB 3.44Å; R115-E119 PolarHBondContact O-N 3.46Å |
| 116 | A | 73.4 | Confident | 66.8 | Low | 70 Ų | 70 | 95.9 Ų | 95.9 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -36.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E112 A113 P120 | E112-A116 WeakPolarHBondContact O-CB 3.4Å; E112-A116 PolarHBondContact O-N 2.88Å; A113-A116 PolarHBondContact O-N 3.29Å; A116-P120 WeakPolarHBondContact O-CD 3.37Å |
| 117 | E | 71.2 | Confident | 67.5 | Low | 128 Ų | 128 | 97.9 Ų | 97.9 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -76.3 | -34.7 | 177.8 | -168.8 | 175.5 | -174.3 | 0 | 0 | 112.9 | A113 L114 R115 P120 | A113-E117 WeakPolarHBondContact O-CB 3.41Å; A113-E117 PolarHBondContact O-N 2.92Å; L114-E117 PolarHBondContact O-N 3.17Å; R115-E117 VanDerWaalsContact C-N 3.33Å; R115-E117 PolarHBondContact O-N 3.41Å; E117-P120 VanDerWaalsContact O-CD 3.3Å; E117-P120 WeakPolarHBondContact O-CD 3.18Å; E117-P120 VanDerWaalsContact O-CG 3.29Å; E117-P120 WeakPolarHBondContact O-CG 3.48Å |
| 118 | L | 64.2 | Low | 68.5 | Low | 94 Ų | 94 | 97.4 Ų | 97.4 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -79.4 | -26.6 | -179.8 | -75 | 170.4 | 0 | 0 | 0 | 113.5 | L114 R115 Q121 R122 | L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CD1 3.5Å; L114-L118 WeakPolarHBondContact O-CG 3.05Å; L114-L118 PolarHBondContact O-N 3Å; R115-L118 PolarHBondContact O-N 3.24Å; L118-Q121 PolarHBondContact O-N 2.86Å; L118-Q121 VanDerWaalsContact O-N 3.17Å; L118-R122 WeakPolarHBondContact O-CB 3.31Å; L118-R122 PolarHBondContact O-N 2.87Å |
| 119 | E | 71.9 | Confident | 68.9 | Low | 81 Ų | 81 | 99.3 Ų | 99.3 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.2 | -49.5 | 178.7 | -164.6 | 64.4 | -157.8 | 0 | 0 | 113.3 | R115 Q121 R122 A123 | R115-E119 WeakPolarHBondContact O-CB 3.44Å; R115-E119 PolarHBondContact O-N 3.46Å; E119-Q121 PolarHBondContact O-N 3.27Å; E119-R122 VanDerWaalsContact CD-CZ 3.5Å; E119-R122 VanDerWaalsContact CD-NH2 3.31Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-R122 IonicContact OE1-CZ 2.7Å; E119-R122 IonicContact OE1-NE 2.86Å; E119-R122 IonicContact OE1-NH1 3.51Å; E119-R122 IonicContact OE1-NH2 3.63Å; E119-R122 PolarHBondContact OE1-NH2 2.86Å; E119-R122 IonicContact OE2-CZ 2.7Å; E119-R122 IonicContact OE2-NE 3.69Å; E119-R122 IonicContact OE2-NH1 3.8Å; E119-R122 PolarHBondContact OE2-NH1 3.26Å; E119-R122 IonicContact OE2-NH2 2.59Å; E119-R122 PolarHBondContact OE2-NH2 3.25Å; E119-A123 PolarHBondContact O-N 3.47Å; E119-A123 VanDerWaalsContact O-N 3.1Å |
| 120 | P | 76.9 | Confident | 68.7 | Low | 70 Ų | 70 | 102 Ų | 102 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -31.5 | 175.8 | 26.7 | -35.4 | 0 | 0 | 0 | 113.2 | A116 E117 A123 K124 | A116-P120 WeakPolarHBondContact O-CD 3.37Å; E117-P120 VanDerWaalsContact O-CD 3.3Å; E117-P120 WeakPolarHBondContact O-CD 3.18Å; E117-P120 VanDerWaalsContact O-CG 3.29Å; E117-P120 WeakPolarHBondContact O-CG 3.48Å; P120-A123 PolarHBondContact O-N 3.48Å; P120-K124 WeakPolarHBondContact O-CG 3.29Å; P120-K124 PolarHBondContact O-N 2.85Å; P120-K124 VanDerWaalsContact O-N 3.1Å |
| 121 | Q | 67.4 | Low | 69.6 | Low | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 175 | -64.5 | -161.7 | 6.6 | 0 | 0 | 111.7 | L118 E119 A123 K124 L125 | L118-Q121 PolarHBondContact O-N 2.86Å; L118-Q121 VanDerWaalsContact O-N 3.17Å; E119-Q121 PolarHBondContact O-N 3.27Å; Q121-A123 VanDerWaalsContact C-N 3.34Å; Q121-K124 PolarHBondContact O-N 3.38Å; Q121-L125 WeakPolarHBondContact O-CB 3.25Å; Q121-L125 PolarHBondContact O-N 3.22Å |
| 122 | R | 63.4 | Low | 70.4 | Confident | 153 Ų | 153 | 103.5 Ų | 103.5 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 174.3 | -168.7 | -178 | 79 | -156.9 | 9.3 | 111.3 | L118 E119 L125 R126 | L118-R122 WeakPolarHBondContact O-CB 3.31Å; L118-R122 PolarHBondContact O-N 2.87Å; E119-R122 VanDerWaalsContact CD-CZ 3.5Å; E119-R122 VanDerWaalsContact CD-NH2 3.31Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 2.99Å; E119-R122 IonicContact OE1-CZ 2.7Å; E119-R122 IonicContact OE1-NE 2.86Å; E119-R122 IonicContact OE1-NH1 3.51Å; E119-R122 IonicContact OE1-NH2 3.63Å; E119-R122 PolarHBondContact OE1-NH2 2.86Å; E119-R122 IonicContact OE2-CZ 2.7Å; E119-R122 IonicContact OE2-NE 3.69Å; E119-R122 IonicContact OE2-NH1 3.8Å; E119-R122 PolarHBondContact OE2-NH1 3.26Å; E119-R122 IonicContact OE2-NH2 2.59Å; E119-R122 PolarHBondContact OE2-NH2 3.25Å; R122-L125 PolarHBondContact O-N 3.13Å; R122-R126 WeakPolarHBondContact O-CB 3.45Å; R122-R126 PolarHBondContact O-N 3.41Å |
| 123 | A | 73 | Confident | 70.4 | Confident | 60 Ų | 60 | 104 Ų | 104 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E119 P120 Q121 L125 R126 E127 | E119-A123 PolarHBondContact O-N 3.47Å; E119-A123 VanDerWaalsContact O-N 3.1Å; P120-A123 PolarHBondContact O-N 3.48Å; Q121-A123 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.25Å; A123-R126 WeakPolarHBondContact O-CB 3.35Å; A123-R126 PolarHBondContact O-N 3Å; A123-E127 PolarHBondContact O-N 3.49Å |
| 124 | K | 72.2 | Confident | 70.7 | Confident | 147 Ų | 147 | 106.9 Ų | 106.9 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 175.6 | -72.6 | 179 | -179.3 | 179.8 | 0 | 112.6 | P120 Q121 R126 E127 V128 | P120-K124 WeakPolarHBondContact O-CG 3.29Å; P120-K124 PolarHBondContact O-N 2.85Å; P120-K124 VanDerWaalsContact O-N 3.1Å; Q121-K124 PolarHBondContact O-N 3.38Å; K124-R126 VanDerWaalsContact C-N 3.3Å; K124-R126 PolarHBondContact O-N 3.33Å; K124-E127 PolarHBondContact O-N 3.2Å; K124-V128 WeakPolarHBondContact O-CG2 3.2Å; K124-V128 PolarHBondContact O-N 3.39Å |
| 125 | L | 65.6 | Low | 71.4 | Confident | 69 Ų | 69 | 107.3 Ų | 107.3 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.4 | -162.9 | 94.4 | 0 | 0 | 0 | 111.2 | I1 Q121 R122 A123 V128 I129 | I1-L125 HydrophobicContact CD1-CD1 3.66Å; I1-L125 HydrophobicContact CG2-CD2 4.22Å; Q121-L125 WeakPolarHBondContact O-CB 3.25Å; Q121-L125 PolarHBondContact O-N 3.22Å; R122-L125 PolarHBondContact O-N 3.13Å; A123-L125 PolarHBondContact O-N 3.25Å; L125-V128 PolarHBondContact O-N 3.3Å; L125-I129 HydrophobicContact CD2-CD1 3.83Å; L125-I129 HydrophobicContact CG-CD1 3.99Å; L125-I129 WeakPolarHBondContact O-CB 3.14Å; L125-I129 VanDerWaalsContact O-CG1 3.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.26Å; L125-I129 PolarHBondContact O-N 2.94Å |
| 126 | R | 65.8 | Low | 71.8 | Confident | 188 Ų | 188 | 107.7 Ų | 107.7 | 71% | 0.709 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -44.5 | 178 | -172.1 | 172.1 | 179.3 | 133.1 | -0.5 | 111.4 | R122 A123 K124 V128 I129 E130 | R122-R126 WeakPolarHBondContact O-CB 3.45Å; R122-R126 PolarHBondContact O-N 3.41Å; A123-R126 WeakPolarHBondContact O-CB 3.35Å; A123-R126 PolarHBondContact O-N 3Å; K124-R126 VanDerWaalsContact C-N 3.3Å; K124-R126 PolarHBondContact O-N 3.33Å; R126-V128 PolarHBondContact O-N 3.08Å; R126-I129 PolarHBondContact O-N 2.95Å; R126-E130 WeakPolarHBondContact O-CB 3.37Å; R126-E130 PolarHBondContact O-N 3.33Å |
| 127 | E | 76.8 | Confident | 71.8 | Confident | 102 Ų | 102 | 112.6 Ų | 112.6 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.7 | -167 | -166.7 | 151.1 | 0 | 0 | 112.1 | A123 K124 E130 K131 | A123-E127 PolarHBondContact O-N 3.49Å; K124-E127 PolarHBondContact O-N 3.2Å; E127-E130 PolarHBondContact O-N 3.35Å; E127-K131 WeakPolarHBondContact O-CG 3.26Å; E127-K131 PolarHBondContact O-N 3.27Å; E127-K131 IonicContact OE1-NZ 2.73Å; E127-K131 PolarHBondContact OE1-NZ 3.45Å |
| 128 | V | 78.4 | Confident | 72.3 | Confident | 74 Ų | 74 | 111 Ų | 111 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | K124 L125 R126 E130 K131 H132 | K124-V128 WeakPolarHBondContact O-CG2 3.2Å; K124-V128 PolarHBondContact O-N 3.39Å; L125-V128 PolarHBondContact O-N 3.3Å; R126-V128 PolarHBondContact O-N 3.08Å; V128-E130 VanDerWaalsContact C-N 3.35Å; V128-K131 PolarHBondContact O-N 3.46Å; V128-H132 PolarHBondContact O-CD2 2.9Å; V128-H132 PolarHBondContact O-N 2.94Å |
| 129 | I | 68.5 | Low | 73 | Confident | 97 Ų | 97 | 112.8 Ų | 112.8 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.6 | -71.1 | 167.2 | 0 | 0 | 0 | 110.7 | L125 R126 H132 L133 | L125-I129 HydrophobicContact CD2-CD1 3.83Å; L125-I129 HydrophobicContact CG-CD1 3.99Å; L125-I129 WeakPolarHBondContact O-CB 3.14Å; L125-I129 VanDerWaalsContact O-CG1 3.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.26Å; L125-I129 PolarHBondContact O-N 2.94Å; R126-I129 PolarHBondContact O-N 2.95Å; I129-H132 PolarHBondContact O-N 3.42Å; I129-L133 WeakPolarHBondContact O-CB 3.47Å; I129-L133 PolarHBondContact O-N 2.99Å |
| 130 | E | 69.7 | Low | 72.9 | Confident | 116 Ų | 116 | 113.6 Ų | 113.6 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 179.9 | -170.5 | 158.6 | -156.2 | 0 | 0 | 111.3 | R126 E127 V128 H132 L133 E134 | R126-E130 WeakPolarHBondContact O-CB 3.37Å; R126-E130 PolarHBondContact O-N 3.33Å; E127-E130 PolarHBondContact O-N 3.35Å; V128-E130 VanDerWaalsContact C-N 3.35Å; E130-H132 PolarHBondContact O-N 3Å; E130-L133 PolarHBondContact O-N 2.92Å; E130-E134 PolarHBondContact O-N 2.98Å |
| 131 | K | 78.6 | Confident | 73 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 47% | 0.47 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 173.4 | -79.2 | 174 | 171.6 | 163.4 | 0 | 112.6 | E127 V128 L133 E134 E135 | E127-K131 WeakPolarHBondContact O-CG 3.26Å; E127-K131 PolarHBondContact O-N 3.27Å; E127-K131 IonicContact OE1-NZ 2.73Å; E127-K131 PolarHBondContact OE1-NZ 3.45Å; V128-K131 PolarHBondContact O-N 3.46Å; K131-L133 VanDerWaalsContact C-N 3.31Å; K131-L133 PolarHBondContact O-N 2.89Å; K131-E134 PolarHBondContact O-N 3.44Å; K131-E135 WeakPolarHBondContact O-CG 3.39Å; K131-E135 PolarHBondContact O-N 3.39Å |
| 132 | H | 74.4 | Confident | 73.9 | Confident | 88 Ų | 88 | 111.7 Ų | 111.7 | 41% | 0.407 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 178.5 | -75 | -45.9 | 0 | 0 | 0 | 112.4 | V128 I129 E130 E134 E135 Y136 | V128-H132 PolarHBondContact O-CD2 2.9Å; V128-H132 PolarHBondContact O-N 2.94Å; I129-H132 PolarHBondContact O-N 3.42Å; E130-H132 PolarHBondContact O-N 3Å; H132-E134 VanDerWaalsContact C-N 3.34Å; H132-E135 IonicContact CE1-OE2 2.65Å; H132-E135 IonicContact CG-OE2 3.19Å; H132-E135 IonicContact ND1-OE2 3.27Å; H132-E135 PolarHBondContact ND1-OE2 3.41Å; H132-E135 PolarHBondContact O-N 3.44Å; H132-Y136 HydrophobicContact CB-CD2 4.45Å; H132-Y136 HydrophobicContact CB-CE2 4.22Å; H132-Y136 WeakPolarHBondContact O-CB 3.35Å; H132-Y136 WeakPolarHBondContact O-CD2 3.39Å; H132-Y136 PolarHBondContact O-N 2.91Å |
| 133 | L | 70.5 | Confident | 74.4 | Confident | 119 Ų | 119 | 111.8 Ų | 111.8 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -38.4 | 176.8 | -161.6 | 118.8 | 0 | 0 | 0 | 111.7 | I129 E130 K131 R137 | I129-L133 WeakPolarHBondContact O-CB 3.47Å; I129-L133 PolarHBondContact O-N 2.99Å; E130-L133 PolarHBondContact O-N 2.92Å; K131-L133 VanDerWaalsContact C-N 3.31Å; K131-L133 PolarHBondContact O-N 2.89Å; L133-R137 VanDerWaalsContact O-CB 3.28Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 PolarHBondContact O-N 3.27Å |
| 134 | E | 78.6 | Confident | 74.4 | Confident | 117 Ų | 117 | 112.6 Ų | 112.6 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 172.2 | -76 | -176.4 | 158.4 | 0 | 0 | 112.5 | E130 K131 H132 R137 T138 | E130-E134 PolarHBondContact O-N 2.98Å; K131-E134 PolarHBondContact O-N 3.44Å; H132-E134 VanDerWaalsContact C-N 3.34Å; E134-R137 PolarHBondContact O-N 3.42Å; E134-T138 WeakPolarHBondContact O-CB 3.45Å; E134-T138 PolarHBondContact O-N 2.92Å; E134-T138 PolarHBondContact O-OG1 2.93Å |
| 135 | E | 75.8 | Confident | 74.8 | Confident | 105 Ų | 105 | 113.1 Ų | 113.1 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 174.8 | -74.3 | 171.7 | 170.3 | 0 | 0 | 111.3 | K131 H132 R137 T138 H139 | K131-E135 WeakPolarHBondContact O-CG 3.39Å; K131-E135 PolarHBondContact O-N 3.39Å; H132-E135 IonicContact CE1-OE2 2.65Å; H132-E135 IonicContact CG-OE2 3.19Å; H132-E135 IonicContact ND1-OE2 3.27Å; H132-E135 PolarHBondContact ND1-OE2 3.41Å; H132-E135 PolarHBondContact O-N 3.44Å; E135-R137 PolarHBondContact O-N 2.93Å; E135-T138 PolarHBondContact O-N 3.24Å; E135-H139 PolarHBondContact O-N 3.38Å; E135-H139 PolarHBondContact O-ND1 2.87Å |
| 136 | Y | 71.7 | Confident | 75.7 | Confident | 158 Ų | 158 | 115.9 Ų | 115.9 | 62% | 0.62 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.3 | -44.9 | 174.9 | -75.5 | -54.1 | 0 | 0 | 0 | 111.5 | H132 T138 H139 L140 | H132-Y136 HydrophobicContact CB-CD2 4.45Å; H132-Y136 HydrophobicContact CB-CE2 4.22Å; H132-Y136 WeakPolarHBondContact O-CB 3.35Å; H132-Y136 WeakPolarHBondContact O-CD2 3.39Å; H132-Y136 PolarHBondContact O-N 2.91Å; Y136-T138 VanDerWaalsContact C-N 3.33Å; Y136-T138 PolarHBondContact O-N 3.41Å; Y136-H139 PolarHBondContact O-N 2.86Å; Y136-L140 VanDerWaalsContact O-CB 3.23Å; Y136-L140 WeakPolarHBondContact O-CB 3.47Å; Y136-L140 VanDerWaalsContact O-CG 3.23Å; Y136-L140 WeakPolarHBondContact O-CG 3.43Å; Y136-L140 PolarHBondContact O-N 3.06Å |
| 137 | R | 72.8 | Confident | 76.3 | Confident | 174 Ų | 174 | 114.3 Ų | 114.3 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.6 | -47.9 | 177 | -177 | -179.6 | 178 | 120.2 | 1.8 | 110.8 | L133 E134 E135 H139 L140 E141 | L133-R137 VanDerWaalsContact O-CB 3.28Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 PolarHBondContact O-N 3.27Å; E134-R137 PolarHBondContact O-N 3.42Å; E135-R137 PolarHBondContact O-N 2.93Å; R137-H139 VanDerWaalsContact C-N 3.31Å; R137-H139 PolarHBondContact O-N 2.7Å; R137-L140 PolarHBondContact O-N 3.01Å; R137-E141 WeakPolarHBondContact O-CB 3.37Å; R137-E141 PolarHBondContact O-N 2.94Å |
| 138 | T | 82.1 | Confident | 76.3 | Confident | 93 Ų | 93 | 114.7 Ų | 114.7 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -38.8 | -179.8 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | E134 E135 Y136 P142 | E134-T138 WeakPolarHBondContact O-CB 3.45Å; E134-T138 PolarHBondContact O-N 2.92Å; E134-T138 PolarHBondContact O-OG1 2.93Å; E135-T138 PolarHBondContact O-N 3.24Å; Y136-T138 VanDerWaalsContact C-N 3.33Å; Y136-T138 PolarHBondContact O-N 3.41Å; T138-P142 WeakPolarHBondContact O-CD 3.35Å |
| 139 | H | 78.1 | Confident | 76.8 | Confident | 132 Ų | 132 | 114.1 Ų | 114.1 | 61% | 0.611 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.4 | -37.1 | 178.4 | -77.5 | 60.5 | 0 | 0 | 0 | 112.6 | E135 Y136 R137 P142 Y143 | E135-H139 PolarHBondContact O-N 3.38Å; E135-H139 PolarHBondContact O-ND1 2.87Å; Y136-H139 PolarHBondContact O-N 2.86Å; R137-H139 VanDerWaalsContact C-N 3.31Å; R137-H139 PolarHBondContact O-N 2.7Å; H139-P142 VanDerWaalsContact O-CD 3.31Å; H139-P142 WeakPolarHBondContact O-CD 3.33Å; H139-P142 VanDerWaalsContact O-CG 3.26Å; H139-P142 WeakPolarHBondContact O-CG 3.35Å; H139-Y143 WeakPolarHBondContact O-CD2 3.26Å; H139-Y143 WeakPolarHBondContact O-CE2 3.46Å |
| 140 | L | 70.6 | Confident | 77.6 | Confident | 99 Ų | 99 | 115.5 Ų | 115.5 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -82.2 | -28.7 | -176.8 | -69.9 | 173.7 | 0 | 0 | 0 | 113.3 | Y136 R137 Y143 V144 | Y136-L140 VanDerWaalsContact O-CB 3.23Å; Y136-L140 WeakPolarHBondContact O-CB 3.47Å; Y136-L140 VanDerWaalsContact O-CG 3.23Å; Y136-L140 WeakPolarHBondContact O-CG 3.43Å; Y136-L140 PolarHBondContact O-N 3.06Å; R137-L140 PolarHBondContact O-N 3.01Å; L140-Y143 PolarHBondContact O-N 3.34Å; L140-Y143 VanDerWaalsContact O-N 3.14Å; L140-V144 WeakPolarHBondContact O-CG2 3.2Å; L140-V144 PolarHBondContact O-N 3.48Å |
| 141 | E | 78.6 | Confident | 78.2 | Confident | 75 Ų | 75 | 114.3 Ų | 114.3 | 35% | 0.35 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -52.3 | -46.8 | 178.8 | -175.6 | 161.5 | -169.2 | 0 | 0 | 114.2 | R137 Y143 V144 R145 | R137-E141 WeakPolarHBondContact O-CB 3.37Å; R137-E141 PolarHBondContact O-N 2.94Å; E141-Y143 PolarHBondContact O-N 2.85Å; E141-V144 PolarHBondContact O-N 2.84Å; E141-R145 WeakPolarHBondContact O-CG 3.25Å; E141-R145 PolarHBondContact O-N 3.01Å; E141-R145 IonicContact OE1-CZ 3.6Å; E141-R145 IonicContact OE1-NE 3.1Å; E141-R145 IonicContact OE1-NH2 3.95Å; E141-R145 PolarHBondContact OE1-NH2 2.93Å |
| 142 | P | 85.8 | Confident | 78.4 | Confident | 71 Ų | 71 | 114.2 Ų | 114.2 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 176 | 24.2 | -34.3 | 0 | 0 | 0 | 112.8 | T138 H139 V144 R145 E146 | T138-P142 WeakPolarHBondContact O-CD 3.35Å; H139-P142 VanDerWaalsContact O-CD 3.31Å; H139-P142 WeakPolarHBondContact O-CD 3.33Å; H139-P142 VanDerWaalsContact O-CG 3.26Å; H139-P142 WeakPolarHBondContact O-CG 3.35Å; P142-V144 PolarHBondContact O-N 3.49Å; P142-R145 PolarHBondContact O-N 2.83Å; P142-E146 WeakPolarHBondContact O-CB 3.28Å; P142-E146 PolarHBondContact O-N 3.48Å |
| 143 | Y | 74.3 | Confident | 79.1 | Confident | 155 Ų | 155 | 112.8 Ų | 112.8 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 178.3 | -67.3 | -75.9 | 0 | 0 | 0 | 112.4 | H139 L140 E141 E146 Y147 | H139-Y143 WeakPolarHBondContact O-CD2 3.26Å; H139-Y143 WeakPolarHBondContact O-CE2 3.46Å; L140-Y143 PolarHBondContact O-N 3.34Å; L140-Y143 VanDerWaalsContact O-N 3.14Å; E141-Y143 PolarHBondContact O-N 2.85Å; Y143-E146 PolarHBondContact O-N 3.49Å; Y143-Y147 VanDerWaalsContact O-CB 3.23Å; Y143-Y147 WeakPolarHBondContact O-CB 3.34Å; Y143-Y147 PolarHBondContact O-N 2.92Å |
| 144 | V | 72.8 | Confident | 79.9 | Confident | 77 Ų | 77 | 112.4 Ų | 112.4 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | L140 E141 P142 Y147 Q148 | L140-V144 WeakPolarHBondContact O-CG2 3.2Å; L140-V144 PolarHBondContact O-N 3.48Å; E141-V144 PolarHBondContact O-N 2.84Å; P142-V144 PolarHBondContact O-N 3.49Å; V144-Y147 PolarHBondContact O-N 3.49Å; V144-Q148 WeakPolarHBondContact O-CB 3.42Å; V144-Q148 VanDerWaalsContact O-CG 3.32Å; V144-Q148 WeakPolarHBondContact O-CG 3.39Å; V144-Q148 PolarHBondContact O-N 2.81Å |
| 145 | R | 81.2 | Confident | 80 | Confident | 158 Ų | 158 | 112.3 Ų | 112.3 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 177.1 | -72 | -179 | -175.3 | -160.8 | 4.7 | 112.1 | E141 P142 Q148 A149 | E141-R145 WeakPolarHBondContact O-CG 3.25Å; E141-R145 PolarHBondContact O-N 3.01Å; E141-R145 IonicContact OE1-CZ 3.6Å; E141-R145 IonicContact OE1-NE 3.1Å; E141-R145 IonicContact OE1-NH2 3.95Å; E141-R145 PolarHBondContact OE1-NH2 2.93Å; P142-R145 PolarHBondContact O-N 2.83Å; R145-Q148 PolarHBondContact O-N 3.39Å; R145-A149 WeakPolarHBondContact O-CB 3.39Å; R145-A149 PolarHBondContact O-N 3.37Å |
| 146 | E | 84.8 | Confident | 80.6 | Confident | 128 Ų | 128 | 114 Ų | 114 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 177.1 | -173.3 | -177.2 | 172.9 | 0 | 0 | 111.2 | P142 Y143 A149 K150 | P142-E146 WeakPolarHBondContact O-CB 3.28Å; P142-E146 PolarHBondContact O-N 3.48Å; Y143-E146 PolarHBondContact O-N 3.49Å; E146-A149 PolarHBondContact O-N 2.91Å; E146-K150 WeakPolarHBondContact O-CB 3.3Å; E146-K150 PolarHBondContact O-N 3.48Å |
| 147 | Y | 79 | Confident | 81.4 | Confident | 154 Ų | 154 | 108.8 Ų | 108.8 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.4 | -45.7 | 177.2 | -175.1 | -95.9 | 0 | 0 | 0 | 111.9 | Y143 V144 K150 Q151 | Y143-Y147 VanDerWaalsContact O-CB 3.23Å; Y143-Y147 WeakPolarHBondContact O-CB 3.34Å; Y143-Y147 PolarHBondContact O-N 2.92Å; V144-Y147 PolarHBondContact O-N 3.49Å; Y147-K150 PolarHBondContact O-N 2.71Å; Y147-Q151 VanDerWaalsContact CE1-OE1 3.28Å; Y147-Q151 WeakPolarHBondContact O-CB 2.99Å; Y147-Q151 PolarHBondContact O-N 3.48Å |
| 148 | Q | 75.9 | Confident | 82 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.3 | -76.2 | 177.8 | -0.3 | 0 | 0 | 112.1 | V144 R145 Q151 N152 | V144-Q148 WeakPolarHBondContact O-CB 3.42Å; V144-Q148 VanDerWaalsContact O-CG 3.32Å; V144-Q148 WeakPolarHBondContact O-CG 3.39Å; V144-Q148 PolarHBondContact O-N 2.81Å; R145-Q148 PolarHBondContact O-N 3.39Å; Q148-Q151 PolarHBondContact O-N 2.81Å; Q148-N152 WeakPolarHBondContact O-CB 3.38Å; Q148-N152 PolarHBondContact O-N 3.36Å |
| 149 | A | 88.3 | Confident | 81.9 | Confident | 61 Ų | 61 | 108.8 Ų | 108.8 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R145 E146 N152 A153 | R145-A149 WeakPolarHBondContact O-CB 3.39Å; R145-A149 PolarHBondContact O-N 3.37Å; E146-A149 PolarHBondContact O-N 2.91Å; A149-N152 PolarHBondContact O-N 2.94Å; A149-A153 PolarHBondContact O-N 2.96Å |
| 150 | K | 86.5 | Confident | 82.4 | Confident | 126 Ų | 126 | 105.7 Ų | 105.7 | 55% | 0.548 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 177.6 | -172.1 | 179.6 | 179.3 | -174.8 | 0 | 111.8 | E146 Y147 N152 A153 E154 | E146-K150 WeakPolarHBondContact O-CB 3.3Å; E146-K150 PolarHBondContact O-N 3.48Å; Y147-K150 PolarHBondContact O-N 2.71Å; K150-N152 VanDerWaalsContact C-N 3.34Å; K150-N152 PolarHBondContact O-N 2.71Å; K150-A153 PolarHBondContact O-N 3.09Å; K150-E154 WeakPolarHBondContact CE-OE1 3.15Å; K150-E154 WeakPolarHBondContact O-CG 3.47Å; K150-E154 PolarHBondContact O-N 3.35Å |
| 151 | Q | 81.1 | Confident | 83 | Confident | 92 Ų | 92 | 108.1 Ų | 108.1 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 179.1 | -171.8 | 168.1 | 5.3 | 0 | 0 | 111.9 | Y147 Q148 E154 M155 | Y147-Q151 VanDerWaalsContact CE1-OE1 3.28Å; Y147-Q151 WeakPolarHBondContact O-CB 2.99Å; Y147-Q151 PolarHBondContact O-N 3.48Å; Q148-Q151 PolarHBondContact O-N 2.81Å; Q151-E154 PolarHBondContact O-N 2.85Å; Q151-M155 WeakPolarHBondContact O-CB 3.27Å; Q151-M155 VanDerWaalsContact O-CG 3.3Å; Q151-M155 WeakPolarHBondContact O-CG 3.18Å; Q151-M155 PolarHBondContact O-N 2.9Å |
| 152 | N | 83.8 | Confident | 83 | Confident | 106 Ų | 106 | 109.2 Ų | 109.2 | 57% | 0.567 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 173.4 | -75.8 | -10.6 | 0 | 0 | 0 | 111.5 | Q148 A149 K150 E154 M155 E156 | Q148-N152 WeakPolarHBondContact O-CB 3.38Å; Q148-N152 PolarHBondContact O-N 3.36Å; A149-N152 PolarHBondContact O-N 2.94Å; K150-N152 VanDerWaalsContact C-N 3.34Å; K150-N152 PolarHBondContact O-N 2.71Å; N152-E154 PolarHBondContact O-N 3.47Å; N152-M155 PolarHBondContact O-N 3.17Å; N152-E156 WeakPolarHBondContact O-CG 3.21Å; N152-E156 PolarHBondContact O-N 3.27Å |
| 153 | A | 89.6 | Confident | 83 | Confident | 57 Ų | 57 | 111.9 Ų | 111.9 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A149 K150 E156 A157 | A149-A153 PolarHBondContact O-N 2.96Å; K150-A153 PolarHBondContact O-N 3.09Å; A153-E156 PolarHBondContact O-N 2.77Å; A153-A157 WeakPolarHBondContact O-CB 3.15Å; A153-A157 PolarHBondContact O-N 2.83Å |
| 154 | E | 86.7 | Confident | 83.6 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.4 | -75.6 | 178.3 | -177.3 | 0 | 0 | 112.1 | K150 Q151 N152 A157 L158 | K150-E154 WeakPolarHBondContact CE-OE1 3.15Å; K150-E154 WeakPolarHBondContact O-CG 3.47Å; K150-E154 PolarHBondContact O-N 3.35Å; Q151-E154 PolarHBondContact O-N 2.85Å; N152-E154 PolarHBondContact O-N 3.47Å; E154-A157 PolarHBondContact O-N 3.37Å; E154-L158 WeakPolarHBondContact O-CB 3.38Å; E154-L158 PolarHBondContact O-N 3.29Å |
| 155 | M | 80.6 | Confident | 84.2 | Confident | 114 Ų | 114 | 108 Ų | 108 | 56% | 0.562 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 176.1 | -75.4 | -64.6 | -66.3 | 0 | 0 | 112.3 | Q151 N152 L158 R159 | Q151-M155 WeakPolarHBondContact O-CB 3.27Å; Q151-M155 VanDerWaalsContact O-CG 3.3Å; Q151-M155 WeakPolarHBondContact O-CG 3.18Å; Q151-M155 PolarHBondContact O-N 2.9Å; N152-M155 PolarHBondContact O-N 3.17Å; M155-L158 PolarHBondContact O-N 3.08Å; M155-R159 WeakPolarHBondContact O-CB 3.46Å; M155-R159 PolarHBondContact O-N 3.28Å |
| 156 | E | 87.8 | Confident | 84.1 | Confident | 142 Ų | 142 | 106.3 Ų | 106.3 | 66% | 0.664 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 174.3 | -74.5 | -176.8 | 172.7 | 0 | 0 | 111.6 | N152 A153 L158 R159 A160 | N152-E156 WeakPolarHBondContact O-CG 3.21Å; N152-E156 PolarHBondContact O-N 3.27Å; A153-E156 PolarHBondContact O-N 2.77Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.16Å; E156-R159 PolarHBondContact O-N 3.37Å; E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 3.5Å |
| 157 | A | 89.1 | Confident | 84.1 | Confident | 47 Ų | 47 | 105 Ų | 105 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A153 E154 K161 | A153-A157 WeakPolarHBondContact O-CB 3.15Å; A153-A157 PolarHBondContact O-N 2.83Å; E154-A157 PolarHBondContact O-N 3.37Å; A157-K161 WeakPolarHBondContact O-CG 3.36Å; A157-K161 PolarHBondContact O-N 3.32Å; A157-K161 VanDerWaalsContact O-N 3.08Å |
| 158 | L | 85.4 | Confident | 84.4 | Confident | 87 Ų | 87 | 102.4 Ų | 102.4 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 174.5 | -179.7 | 62.4 | 0 | 0 | 0 | 111 | E154 M155 E156 A160 K161 M162 | E154-L158 WeakPolarHBondContact O-CB 3.38Å; E154-L158 PolarHBondContact O-N 3.29Å; M155-L158 PolarHBondContact O-N 3.08Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.16Å; L158-A160 PolarHBondContact O-N 2.94Å; L158-K161 PolarHBondContact O-N 2.98Å; L158-K161 VanDerWaalsContact O-N 3.17Å; L158-M162 HydrophobicContact CD1-CE 4.07Å; L158-M162 HydrophobicContact CD1-CG 4.1Å; L158-M162 HydrophobicContact CG-CG 4.31Å; L158-M162 WeakPolarHBondContact O-CB 3.23Å; L158-M162 VanDerWaalsContact O-CG 3.27Å; L158-M162 WeakPolarHBondContact O-CG 3.15Å; L158-M162 PolarHBondContact O-N 3.14Å |
| 159 | R | 79.7 | Confident | 84.6 | Confident | 181 Ų | 181 | 101.4 Ų | 101.4 | 68% | 0.683 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.9 | -47.5 | 176.7 | -173.1 | 175.9 | -177.3 | 150.3 | 1.8 | 111.2 | M155 E156 K161 M162 E163 | M155-R159 WeakPolarHBondContact O-CB 3.46Å; M155-R159 PolarHBondContact O-N 3.28Å; E156-R159 PolarHBondContact O-N 3.37Å; R159-K161 VanDerWaalsContact C-N 3.25Å; R159-K161 PolarHBondContact O-N 2.74Å; R159-M162 PolarHBondContact O-N 2.81Å; R159-M162 VanDerWaalsContact O-N 3.09Å; R159-E163 PolarHBondContact O-N 3.47Å |
| 160 | A | 89 | Confident | 84.3 | Confident | 66 Ų | 66 | 107.3 Ų | 107.3 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -34 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E156 L158 P164 | E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 3.5Å; L158-A160 PolarHBondContact O-N 2.94Å; A160-P164 WeakPolarHBondContact O-CD 3.47Å |
| 161 | K | 84.1 | Confident | 84.4 | Confident | 150 Ų | 150 | 106.8 Ų | 106.8 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.8 | -30.1 | 174.6 | -74 | 178.7 | -179.5 | -180 | 0 | 113.6 | A157 L158 R159 P164 | A157-K161 WeakPolarHBondContact O-CG 3.36Å; A157-K161 PolarHBondContact O-N 3.32Å; A157-K161 VanDerWaalsContact O-N 3.08Å; L158-K161 PolarHBondContact O-N 2.98Å; L158-K161 VanDerWaalsContact O-N 3.17Å; R159-K161 VanDerWaalsContact C-N 3.25Å; R159-K161 PolarHBondContact O-N 2.74Å; K161-P164 WeakPolarHBondContact O-CD 3.34Å; K161-P164 WeakPolarHBondContact O-CG 3.44Å |
| 162 | M | 77.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 107.7 Ų | 107.7 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -81.7 | -29.9 | -178.7 | -73.6 | -70.5 | 137.5 | 0 | 0 | 112.9 | L158 R159 V165 M166 | L158-M162 HydrophobicContact CD1-CE 4.07Å; L158-M162 HydrophobicContact CD1-CG 4.1Å; L158-M162 HydrophobicContact CG-CG 4.31Å; L158-M162 WeakPolarHBondContact O-CB 3.23Å; L158-M162 VanDerWaalsContact O-CG 3.27Å; L158-M162 WeakPolarHBondContact O-CG 3.15Å; L158-M162 PolarHBondContact O-N 3.14Å; R159-M162 PolarHBondContact O-N 2.81Å; R159-M162 VanDerWaalsContact O-N 3.09Å; M162-V165 PolarHBondContact O-N 3.39Å; M162-V165 VanDerWaalsContact O-N 3.15Å; M162-M166 PolarHBondContact O-N 3.21Å |
| 163 | E | 85.6 | Confident | 84.3 | Confident | 126 Ų | 126 | 106.1 Ų | 106.1 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -49.6 | -54.2 | 175.9 | -157.1 | 96.2 | -156.7 | 0 | 0 | 112.7 | R159 V165 M166 E167 | R159-E163 PolarHBondContact O-N 3.47Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.37Å; E163-M166 PolarHBondContact O-N 2.98Å; E163-E167 PolarHBondContact O-N 3.15Å; E163-E167 VanDerWaalsContact O-N 3.14Å |
| 164 | P | 87.9 | Confident | 83.9 | Confident | 77 Ų | 77 | 105.6 Ų | 105.6 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.4 | -31.3 | 178.9 | 27.5 | -36.6 | 0 | 0 | 0 | 113.3 | A160 K161 E167 E168 | A160-P164 WeakPolarHBondContact O-CD 3.47Å; K161-P164 WeakPolarHBondContact O-CD 3.34Å; K161-P164 WeakPolarHBondContact O-CG 3.44Å; P164-E167 PolarHBondContact O-N 3.45Å; P164-E168 WeakPolarHBondContact O-CB 3.28Å; P164-E168 PolarHBondContact O-N 2.93Å |
| 165 | V | 85.5 | Confident | 83.9 | Confident | 75 Ų | 75 | 103.6 Ų | 103.6 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 178.4 | 177 | 0 | 0 | 0 | 0 | 110.7 | M162 E163 E167 E168 L169 | M162-V165 PolarHBondContact O-N 3.39Å; M162-V165 VanDerWaalsContact O-N 3.15Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 3.37Å; V165-E167 VanDerWaalsContact C-N 3.35Å; V165-E168 PolarHBondContact O-N 3.3Å; V165-L169 WeakPolarHBondContact O-CB 3.36Å; V165-L169 PolarHBondContact O-N 3.46Å |
| 166 | M | 77.7 | Confident | 83.9 | Confident | 121 Ų | 121 | 102.6 Ų | 102.6 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.2 | -34.8 | 175.8 | -76.8 | -50.9 | -88.9 | 0 | 0 | 112.5 | M162 E163 L169 R170 | M162-M166 PolarHBondContact O-N 3.21Å; E163-M166 PolarHBondContact O-N 2.98Å; M166-L169 HydrophobicContact CE-CD2 4.39Å; M166-L169 PolarHBondContact O-N 2.99Å; M166-L169 HydrophobicContact SD-CD2 3.94Å; M166-R170 VanDerWaalsContact O-CB 3.3Å; M166-R170 WeakPolarHBondContact O-CB 3.49Å; M166-R170 PolarHBondContact O-N 3.36Å |
| 167 | E | 85.4 | Confident | 83.5 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 174.8 | -166.4 | 56.9 | -150.1 | 0 | 0 | 111.3 | E163 P164 V165 L169 R170 Q171 | E163-E167 PolarHBondContact O-N 3.15Å; E163-E167 VanDerWaalsContact O-N 3.14Å; P164-E167 PolarHBondContact O-N 3.45Å; V165-E167 VanDerWaalsContact C-N 3.35Å; E167-L169 PolarHBondContact O-N 3.36Å; E167-R170 PolarHBondContact O-N 3.42Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 2.93Å |
| 168 | E | 85.8 | Confident | 83.1 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 174.6 | -168.5 | -171.5 | 155.1 | 0 | 0 | 111.8 | P164 V165 Q171 K172 | P164-E168 WeakPolarHBondContact O-CB 3.28Å; P164-E168 PolarHBondContact O-N 2.93Å; V165-E168 PolarHBondContact O-N 3.3Å; E168-Q171 PolarHBondContact O-N 3.47Å; E168-K172 HydrophobicContact CG-CD 4.42Å; E168-K172 WeakPolarHBondContact O-CG 3.37Å; E168-K172 PolarHBondContact O-N 3.02Å; E168-K172 WeakPolarHBondContact OE1-CE 3.3Å; E168-K172 IonicContact OE1-NZ 2.68Å; E168-K172 PolarHBondContact OE1-NZ 2.88Å |
| 169 | L | 80.6 | Confident | 82.9 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 176.9 | -173.6 | 65.7 | 0 | 0 | 0 | 111.4 | V165 M166 E167 Q171 K172 V173 | V165-L169 WeakPolarHBondContact O-CB 3.36Å; V165-L169 PolarHBondContact O-N 3.46Å; M166-L169 HydrophobicContact CE-CD2 4.39Å; M166-L169 PolarHBondContact O-N 2.99Å; M166-L169 HydrophobicContact SD-CD2 3.94Å; E167-L169 PolarHBondContact O-N 3.36Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 2.65Å; L169-K172 PolarHBondContact O-N 2.95Å; L169-V173 HydrophobicContact CG-CG2 4.5Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.28Å; L169-V173 PolarHBondContact O-N 2.9Å |
| 170 | R | 80.9 | Confident | 82.8 | Confident | 185 Ų | 185 | 100.5 Ų | 100.5 | 70% | 0.698 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60 | -43.5 | 177 | -174.2 | -176.8 | 177.4 | 97.5 | 2.5 | 111.1 | M166 E167 A174 | M166-R170 VanDerWaalsContact O-CB 3.3Å; M166-R170 WeakPolarHBondContact O-CB 3.49Å; M166-R170 PolarHBondContact O-N 3.36Å; E167-R170 PolarHBondContact O-N 3.42Å; R170-A174 WeakPolarHBondContact O-CB 3.46Å; R170-A174 PolarHBondContact O-N 3.32Å |
| 171 | Q | 88.6 | Confident | 82.1 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 176.1 | -71.7 | 176.3 | 10.1 | 0 | 0 | 111.7 | E167 E168 L169 V173 A174 T175 | E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 2.93Å; E168-Q171 PolarHBondContact O-N 3.47Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 2.65Å; Q171-V173 VanDerWaalsContact C-N 3.32Å; Q171-V173 PolarHBondContact O-N 3.09Å; Q171-A174 PolarHBondContact O-N 2.94Å; Q171-T175 PolarHBondContact O-N 3.19Å; Q171-T175 PolarHBondContact O-OG1 3.35Å; Q171-T175 VanDerWaalsContact O-OG1 3.09Å |
| 172 | K | 83.3 | Confident | 82.1 | Confident | 111 Ų | 111 | 101.6 Ų | 101.6 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 177.9 | -78.1 | 175.6 | 170.2 | 167.3 | 0 | 112.8 | E168 L169 T175 N176 | E168-K172 HydrophobicContact CG-CD 4.42Å; E168-K172 WeakPolarHBondContact O-CG 3.37Å; E168-K172 PolarHBondContact O-N 3.02Å; E168-K172 WeakPolarHBondContact OE1-CE 3.3Å; E168-K172 IonicContact OE1-NZ 2.68Å; E168-K172 PolarHBondContact OE1-NZ 2.88Å; L169-K172 PolarHBondContact O-N 2.95Å; K172-T175 PolarHBondContact O-N 3.17Å; K172-N176 WeakPolarHBondContact O-CB 3.33Å; K172-N176 PolarHBondContact O-N 3.26Å; K172-N176 PolarHBondContact O-OD1 3.38Å |
| 173 | V | 80.6 | Confident | 82.1 | Confident | 73 Ų | 73 | 99.9 Ų | 99.9 | 44% | 0.442 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | L169 Q171 N176 L177 | L169-V173 HydrophobicContact CG-CG2 4.5Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.28Å; L169-V173 PolarHBondContact O-N 2.9Å; Q171-V173 VanDerWaalsContact C-N 3.32Å; Q171-V173 PolarHBondContact O-N 3.09Å; V173-N176 PolarHBondContact O-N 2.99Å; V173-L177 HydrophobicContact CG1-CD1 3.96Å; V173-L177 HydrophobicContact CG1-CG 4.5Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CG 3.37Å; V173-L177 PolarHBondContact O-N 2.93Å |
| 174 | A | 81 | Confident | 81.5 | Confident | 47 Ų | 47 | 98.2 Ų | 98.2 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R170 Q171 N176 L177 D178 | R170-A174 WeakPolarHBondContact O-CB 3.46Å; R170-A174 PolarHBondContact O-N 3.32Å; Q171-A174 PolarHBondContact O-N 2.94Å; A174-N176 PolarHBondContact O-N 3.46Å; A174-L177 PolarHBondContact O-N 2.85Å; A174-D178 PolarHBondContact O-N 3.45Å |
| 175 | T | 85.8 | Confident | 81.1 | Confident | 69 Ų | 69 | 99.3 Ų | 99.3 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 177 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | Q171 K172 L177 D178 E179 | Q171-T175 PolarHBondContact O-N 3.19Å; Q171-T175 PolarHBondContact O-OG1 3.35Å; Q171-T175 VanDerWaalsContact O-OG1 3.09Å; K172-T175 PolarHBondContact O-N 3.17Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.48Å; T175-D178 PolarHBondContact O-N 2.86Å; T175-E179 HydrophobicContact CG2-CG 4.39Å; T175-E179 WeakPolarHBondContact O-CG 3.45Å; T175-E179 PolarHBondContact O-N 3.02Å |
| 176 | N | 81 | Confident | 80.9 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 179.8 | -72.8 | 2.5 | 0 | 0 | 0 | 112.4 | K172 V173 A174 T180 | K172-N176 WeakPolarHBondContact O-CB 3.33Å; K172-N176 PolarHBondContact O-N 3.26Å; K172-N176 PolarHBondContact O-OD1 3.38Å; V173-N176 PolarHBondContact O-N 2.99Å; A174-N176 PolarHBondContact O-N 3.46Å; N176-T180 VanDerWaalsContact O-CB 3.26Å; N176-T180 WeakPolarHBondContact O-CB 3.49Å; N176-T180 PolarHBondContact O-N 3.32Å; N176-T180 PolarHBondContact O-OG1 3.41Å |
| 177 | L | 79.6 | Confident | 80.9 | Confident | 113 Ų | 113 | 98.1 Ų | 98.1 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 174.6 | -78.2 | 167.9 | 0 | 0 | 0 | 111.4 | V173 A174 T175 T180 R181 | V173-L177 HydrophobicContact CG1-CD1 3.96Å; V173-L177 HydrophobicContact CG1-CG 4.5Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CG 3.37Å; V173-L177 PolarHBondContact O-N 2.93Å; A174-L177 PolarHBondContact O-N 2.85Å; T175-L177 VanDerWaalsContact C-N 3.29Å; T175-L177 PolarHBondContact O-N 3.48Å; L177-T180 PolarHBondContact O-N 3.31Å; L177-R181 VanDerWaalsContact O-CB 3.29Å; L177-R181 WeakPolarHBondContact O-CB 3.4Å; L177-R181 PolarHBondContact O-N 2.87Å |
| 178 | D | 81.1 | Confident | 80.3 | Confident | 104 Ų | 104 | 98 Ų | 98 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 176.5 | -75 | -24.4 | 0 | 0 | 0 | 111.7 | A174 T175 R181 A182 | A174-D178 PolarHBondContact O-N 3.45Å; T175-D178 PolarHBondContact O-N 2.86Å; D178-R181 WeakPolarHBondContact O-CB 3.26Å; D178-R181 PolarHBondContact O-N 3.47Å; D178-A182 WeakPolarHBondContact O-CB 3.42Å; D178-A182 PolarHBondContact O-N 2.86Å |
| 179 | E | 79.7 | Confident | 80.1 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 174.3 | -73.1 | 178.7 | -176.4 | 0 | 0 | 111.9 | T175 R181 A182 A183 | T175-E179 HydrophobicContact CG2-CG 4.39Å; T175-E179 WeakPolarHBondContact O-CG 3.45Å; T175-E179 PolarHBondContact O-N 3.02Å; E179-R181 VanDerWaalsContact C-N 3.33Å; E179-R181 PolarHBondContact O-N 3.47Å; E179-A182 PolarHBondContact O-N 2.7Å; E179-A183 WeakPolarHBondContact O-CB 3.29Å; E179-A183 PolarHBondContact O-N 3.23Å |
| 180 | T | 78 | Confident | 79.9 | Confident | 78 Ų | 78 | 97 Ų | 97 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | N176 L177 A182 A183 L184 | N176-T180 VanDerWaalsContact O-CB 3.26Å; N176-T180 WeakPolarHBondContact O-CB 3.49Å; N176-T180 PolarHBondContact O-N 3.32Å; N176-T180 PolarHBondContact O-OG1 3.41Å; L177-T180 PolarHBondContact O-N 3.31Å; T180-A182 VanDerWaalsContact C-N 3.33Å; T180-A182 PolarHBondContact O-N 3.09Å; T180-A183 PolarHBondContact O-N 3.45Å; T180-L184 HydrophobicContact CG2-CD1 3.91Å; T180-L184 HydrophobicContact CG2-CG 4.36Å; T180-L184 WeakPolarHBondContact O-CB 3.43Å; T180-L184 VanDerWaalsContact O-CG 3.3Å; T180-L184 WeakPolarHBondContact O-CG 3.45Å; T180-L184 PolarHBondContact O-N 3.32Å |
| 181 | R | 74.9 | Confident | 79.8 | Confident | 179 Ų | 179 | 92.4 Ų | 92.4 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -43.6 | 175.6 | -176.8 | 179.9 | -177 | 174.3 | 1.3 | 111.3 | L177 D178 E179 L184 M185 | L177-R181 VanDerWaalsContact O-CB 3.29Å; L177-R181 WeakPolarHBondContact O-CB 3.4Å; L177-R181 PolarHBondContact O-N 2.87Å; D178-R181 WeakPolarHBondContact O-CB 3.26Å; D178-R181 PolarHBondContact O-N 3.47Å; E179-R181 VanDerWaalsContact C-N 3.33Å; E179-R181 PolarHBondContact O-N 3.47Å; R181-L184 PolarHBondContact O-N 2.89Å; R181-M185 PolarHBondContact O-N 2.98Å; R181-M185 VanDerWaalsContact O-N 3.09Å |
| 182 | A | 82.8 | Confident | 79.2 | Confident | 61 Ų | 61 | 95.8 Ų | 95.8 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | D178 E179 T180 P186 | D178-A182 WeakPolarHBondContact O-CB 3.42Å; D178-A182 PolarHBondContact O-N 2.86Å; E179-A182 PolarHBondContact O-N 2.7Å; T180-A182 VanDerWaalsContact C-N 3.33Å; T180-A182 PolarHBondContact O-N 3.09Å; A182-P186 WeakPolarHBondContact O-CD 3.3Å |
| 183 | A | 79.3 | Confident | 79.3 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -32.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E179 T180 P186 | E179-A183 WeakPolarHBondContact O-CB 3.29Å; E179-A183 PolarHBondContact O-N 3.23Å; T180-A183 PolarHBondContact O-N 3.45Å; A183-P186 WeakPolarHBondContact O-CD 3.34Å; A183-P186 WeakPolarHBondContact O-CG 3.49Å |
| 184 | L | 71.9 | Confident | 79.3 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -81.6 | -25.6 | 178.9 | -70.1 | 177.4 | 0 | 0 | 0 | 113.4 | T180 R181 I187 V188 | T180-L184 HydrophobicContact CG2-CD1 3.91Å; T180-L184 HydrophobicContact CG2-CG 4.36Å; T180-L184 WeakPolarHBondContact O-CB 3.43Å; T180-L184 VanDerWaalsContact O-CG 3.3Å; T180-L184 WeakPolarHBondContact O-CG 3.45Å; T180-L184 PolarHBondContact O-N 3.32Å; R181-L184 PolarHBondContact O-N 2.89Å; L184-I187 HydrophobicContact CD2-CD1 4.17Å; L184-I187 WeakPolarHBondContact O-CB 3.13Å; L184-I187 PolarHBondContact O-N 2.96Å; L184-I187 VanDerWaalsContact O-N 3.12Å; L184-V188 WeakPolarHBondContact O-CG2 3.44Å; L184-V188 PolarHBondContact O-N 3.24Å |
| 185 | M | 78.9 | Confident | 79.3 | Confident | 100 Ų | 100 | 99.4 Ų | 99.4 | 49% | 0.493 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -50.8 | -50.6 | 177.9 | -165 | 178.6 | -66.8 | 0 | 0 | 113.8 | R181 I187 V188 E189 | R181-M185 PolarHBondContact O-N 2.98Å; R181-M185 VanDerWaalsContact O-N 3.09Å; M185-I187 VanDerWaalsContact C-N 3.29Å; M185-I187 PolarHBondContact O-N 3.46Å; M185-V188 PolarHBondContact O-N 3.01Å; M185-E189 WeakPolarHBondContact O-CG 3.41Å; M185-E189 PolarHBondContact O-N 3.12Å |
| 186 | P | 82.9 | Confident | 79.2 | Confident | 72 Ų | 72 | 99.6 Ų | 99.6 | 47% | 0.468 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -29.6 | 179 | 26.2 | -36.3 | 0 | 0 | 0 | 113.3 | A182 A183 S190 | A182-P186 WeakPolarHBondContact O-CD 3.3Å; A183-P186 WeakPolarHBondContact O-CD 3.34Å; A183-P186 WeakPolarHBondContact O-CG 3.49Å; P186-S190 WeakPolarHBondContact O-CB 3.34Å; P186-S190 PolarHBondContact O-N 3.43Å |
| 187 | I | 76.2 | Confident | 79.4 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 176 | -62.7 | 172.7 | 0 | 0 | 0 | 109.6 | L184 M185 E189 S190 V191 | L184-I187 HydrophobicContact CD2-CD1 4.17Å; L184-I187 WeakPolarHBondContact O-CB 3.13Å; L184-I187 PolarHBondContact O-N 2.96Å; L184-I187 VanDerWaalsContact O-N 3.12Å; M185-I187 VanDerWaalsContact C-N 3.29Å; M185-I187 PolarHBondContact O-N 3.46Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 2.92Å; I187-S190 PolarHBondContact O-N 3.37Å; I187-V191 HydrophobicContact CG2-CG2 4.49Å; I187-V191 VanDerWaalsContact O-CG2 3.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.32Å; I187-V191 PolarHBondContact O-N 2.9Å |
| 188 | V | 74.6 | Confident | 79.3 | Confident | 96 Ų | 96 | 104.5 Ų | 104.5 | 58% | 0.582 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111 | L184 M185 V191 R192 | L184-V188 WeakPolarHBondContact O-CG2 3.44Å; L184-V188 PolarHBondContact O-N 3.24Å; M185-V188 PolarHBondContact O-N 3.01Å; V188-V191 PolarHBondContact O-N 3.33Å; V188-R192 WeakPolarHBondContact O-CB 3.31Å; V188-R192 PolarHBondContact O-N 3.39Å |
| 189 | E | 81.3 | Confident | 79.2 | Confident | 115 Ų | 115 | 104.5 Ų | 104.5 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 175.7 | -71.9 | -179.7 | 168.5 | 0 | 0 | 112.4 | M185 I187 R192 T193 | M185-E189 WeakPolarHBondContact O-CG 3.41Å; M185-E189 PolarHBondContact O-N 3.12Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 2.92Å; E189-R192 PolarHBondContact O-N 2.76Å; E189-T193 WeakPolarHBondContact O-CB 3.38Å; E189-T193 PolarHBondContact O-N 2.9Å; E189-T193 PolarHBondContact O-OG1 3.18Å |
| 190 | S | 76.3 | Confident | 79.3 | Confident | 55 Ų | 55 | 105.2 Ų | 105.2 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 174.9 | -173.2 | 0 | 0 | 0 | 0 | 112 | P186 I187 T193 K194 | P186-S190 WeakPolarHBondContact O-CB 3.34Å; P186-S190 PolarHBondContact O-N 3.43Å; I187-S190 PolarHBondContact O-N 3.37Å; S190-T193 PolarHBondContact O-N 3.26Å; S190-K194 WeakPolarHBondContact O-CB 3.34Å; S190-K194 WeakPolarHBondContact O-CG 3.4Å; S190-K194 PolarHBondContact O-N 3.39Å |
| 191 | V | 77.4 | Confident | 79.4 | Confident | 89 Ų | 89 | 103.7 Ų | 103.7 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | I187 V188 T193 K194 L195 | I187-V191 HydrophobicContact CG2-CG2 4.49Å; I187-V191 VanDerWaalsContact O-CG2 3.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.32Å; I187-V191 PolarHBondContact O-N 2.9Å; V188-V191 PolarHBondContact O-N 3.33Å; V191-T193 VanDerWaalsContact C-N 3.32Å; V191-T193 PolarHBondContact O-N 2.91Å; V191-K194 PolarHBondContact O-N 3.4Å; V191-L195 WeakPolarHBondContact O-CB 3.3Å; V191-L195 PolarHBondContact O-N 3.2Å |
| 192 | R | 76.9 | Confident | 79.6 | Confident | 186 Ų | 186 | 99.6 Ų | 99.6 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.5 | -45.9 | 176.7 | -175.6 | -179 | -176.7 | 177.8 | 1.5 | 111.4 | V188 E189 L195 V196 | V188-R192 WeakPolarHBondContact O-CB 3.31Å; V188-R192 PolarHBondContact O-N 3.39Å; E189-R192 PolarHBondContact O-N 2.76Å; R192-L195 PolarHBondContact O-N 3.16Å; R192-V196 WeakPolarHBondContact O-CG2 3.47Å; R192-V196 PolarHBondContact O-N 3.3Å |
| 193 | T | 85.1 | Confident | 79.2 | Confident | 76 Ų | 76 | 103.9 Ų | 103.9 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 179.9 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | E189 S190 V191 L195 V196 E197 | E189-T193 WeakPolarHBondContact O-CB 3.38Å; E189-T193 PolarHBondContact O-N 2.9Å; E189-T193 PolarHBondContact O-OG1 3.18Å; S190-T193 PolarHBondContact O-N 3.26Å; V191-T193 VanDerWaalsContact C-N 3.32Å; V191-T193 PolarHBondContact O-N 2.91Å; T193-L195 VanDerWaalsContact C-N 3.27Å; T193-L195 PolarHBondContact O-N 2.89Å; T193-V196 PolarHBondContact O-N 3.31Å; T193-V196 VanDerWaalsContact O-N 3.16Å; T193-E197 WeakPolarHBondContact O-CG 3.37Å; T193-E197 PolarHBondContact O-N 3.36Å |
| 194 | K | 81.5 | Confident | 79.3 | Confident | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.548 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 176.4 | -73.7 | 177.9 | 179.1 | 176.7 | 0 | 112.6 | S190 V191 R198 | S190-K194 WeakPolarHBondContact O-CB 3.34Å; S190-K194 WeakPolarHBondContact O-CG 3.4Å; S190-K194 PolarHBondContact O-N 3.39Å; V191-K194 PolarHBondContact O-N 3.4Å; K194-R198 WeakPolarHBondContact O-CB 3.4Å; K194-R198 WeakPolarHBondContact O-CG 3.48Å; K194-R198 PolarHBondContact O-N 3.34Å |
| 195 | L | 79.5 | Confident | 79.5 | Confident | 105 Ų | 105 | 106.3 Ų | 106.3 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 177.2 | -174.5 | 65.3 | 0 | 0 | 0 | 111.4 | V191 R192 T193 R198 L199 | V191-L195 WeakPolarHBondContact O-CB 3.3Å; V191-L195 PolarHBondContact O-N 3.2Å; R192-L195 PolarHBondContact O-N 3.16Å; T193-L195 VanDerWaalsContact C-N 3.27Å; T193-L195 PolarHBondContact O-N 2.89Å; L195-R198 PolarHBondContact O-N 3.01Å; L195-L199 HydrophobicContact CG-CD1 4.2Å; L195-L199 WeakPolarHBondContact O-CB 3.42Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 2.95Å |
| 196 | V | 84.5 | Confident | 79.2 | Confident | 72 Ų | 72 | 103.4 Ų | 103.4 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | R192 T193 R198 L199 E200 | R192-V196 WeakPolarHBondContact O-CG2 3.47Å; R192-V196 PolarHBondContact O-N 3.3Å; T193-V196 PolarHBondContact O-N 3.31Å; T193-V196 VanDerWaalsContact O-N 3.16Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 2.88Å; V196-L199 PolarHBondContact O-N 3.41Å; V196-E200 WeakPolarHBondContact O-CG 3.26Å; V196-E200 PolarHBondContact O-N 2.95Å |
| 197 | E | 84.1 | Confident | 78.9 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 176.8 | -71 | 171.8 | 177.3 | 0 | 0 | 112.2 | T193 E200 A201 | T193-E197 WeakPolarHBondContact O-CG 3.37Å; T193-E197 PolarHBondContact O-N 3.36Å; E197-E200 PolarHBondContact O-N 2.88Å; E197-A201 WeakPolarHBondContact O-CB 3.5Å; E197-A201 PolarHBondContact O-N 2.86Å |
| 198 | R | 79.3 | Confident | 79.1 | Confident | 196 Ų | 196 | 102.1 Ų | 102.1 | 74% | 0.74 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.4 | -38.1 | 178.5 | -71 | -70.2 | -179.9 | 169.4 | 0.8 | 112.2 | K194 L195 V196 A201 L202 | K194-R198 WeakPolarHBondContact O-CB 3.4Å; K194-R198 WeakPolarHBondContact O-CG 3.48Å; K194-R198 PolarHBondContact O-N 3.34Å; L195-R198 PolarHBondContact O-N 3.01Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 2.88Å; R198-A201 PolarHBondContact O-N 3.4Å; R198-L202 VanDerWaalsContact O-CB 3.26Å; R198-L202 WeakPolarHBondContact O-CB 3.49Å; R198-L202 PolarHBondContact O-N 3.13Å |
| 199 | L | 78.5 | Confident | 79.1 | Confident | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 174.6 | -78.4 | 169.5 | 0 | 0 | 0 | 111.6 | L195 V196 L202 K203 | L195-L199 HydrophobicContact CG-CD1 4.2Å; L195-L199 WeakPolarHBondContact O-CB 3.42Å; L195-L199 WeakPolarHBondContact O-CG 3.33Å; L195-L199 PolarHBondContact O-N 2.95Å; V196-L199 PolarHBondContact O-N 3.41Å; L199-L202 PolarHBondContact O-N 3.27Å; L199-K203 VanDerWaalsContact O-CB 3.31Å; L199-K203 WeakPolarHBondContact O-CB 3.34Å; L199-K203 PolarHBondContact O-N 3.46Å |
| 200 | E | 82.3 | Confident | 78.7 | Confident | 132 Ų | 132 | 103.9 Ų | 103.9 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 175 | -71.4 | -159.5 | 159.4 | 0 | 0 | 112 | V196 E197 L202 K203 A204 | V196-E200 WeakPolarHBondContact O-CG 3.26Å; V196-E200 PolarHBondContact O-N 2.95Å; E197-E200 PolarHBondContact O-N 2.88Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 3.41Å; E200-K203 WeakPolarHBondContact O-CB 3.15Å; E200-K203 PolarHBondContact O-N 3.19Å; E200-A204 WeakPolarHBondContact O-CB 3.43Å; E200-A204 PolarHBondContact O-N 3.31Å |
| 201 | A | 80.1 | Confident | 78.7 | Confident | 47 Ų | 47 | 105.5 Ų | 105.5 | 39% | 0.388 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E197 R198 A204 M205 | E197-A201 WeakPolarHBondContact O-CB 3.5Å; E197-A201 PolarHBondContact O-N 2.86Å; R198-A201 PolarHBondContact O-N 3.4Å; A201-A204 PolarHBondContact O-N 3.42Å; A201-M205 WeakPolarHBondContact O-CB 3.34Å; A201-M205 WeakPolarHBondContact O-CG 3.39Å; A201-M205 PolarHBondContact O-N 3.43Å |
| 202 | L | 78.5 | Confident | 78.6 | Confident | 93 Ų | 93 | 106.3 Ų | 106.3 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 176.3 | -164.1 | 115 | 0 | 0 | 0 | 111.2 | R198 L199 E200 M205 A206 M253 | R198-L202 VanDerWaalsContact O-CB 3.26Å; R198-L202 WeakPolarHBondContact O-CB 3.49Å; R198-L202 PolarHBondContact O-N 3.13Å; L199-L202 PolarHBondContact O-N 3.27Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 PolarHBondContact O-N 3.41Å; L202-M205 PolarHBondContact O-N 3.35Å; L202-A206 WeakPolarHBondContact O-CB 3.39Å; L202-A206 PolarHBondContact O-N 3.18Å; L202-M253 HydrophobicContact CD1-CE 3.93Å |
| 203 | K | 75.1 | Confident | 78.3 | Confident | 151 Ų | 151 | 103.7 Ų | 103.7 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 173.6 | -173.6 | 179.4 | 179.5 | -176.9 | 0 | 111.1 | L199 E200 M205 A206 T207 | L199-K203 VanDerWaalsContact O-CB 3.31Å; L199-K203 WeakPolarHBondContact O-CB 3.34Å; L199-K203 PolarHBondContact O-N 3.46Å; E200-K203 WeakPolarHBondContact O-CB 3.15Å; E200-K203 PolarHBondContact O-N 3.19Å; K203-M205 PolarHBondContact O-N 2.88Å; K203-A206 PolarHBondContact O-N 3.49Å; K203-T207 WeakPolarHBondContact O-CB 3.36Å; K203-T207 PolarHBondContact O-N 3.03Å; K203-T207 PolarHBondContact O-OG1 3.37Å |
| 204 | A | 80.4 | Confident | 77.7 | Confident | 66 Ų | 66 | 104.7 Ų | 104.7 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E200 A201 P208 | E200-A204 WeakPolarHBondContact O-CB 3.43Å; E200-A204 PolarHBondContact O-N 3.31Å; A201-A204 PolarHBondContact O-N 3.42Å; A204-P208 WeakPolarHBondContact O-CD 3.41Å |
| 205 | M | 75.3 | Confident | 77.4 | Confident | 138 Ų | 138 | 104 Ų | 104 | 68% | 0.68 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.7 | -39.7 | 174.1 | -75.5 | -173.5 | 178.2 | 0 | 0 | 112.4 | A201 L202 K203 P208 Y209 | A201-M205 WeakPolarHBondContact O-CB 3.34Å; A201-M205 WeakPolarHBondContact O-CG 3.39Å; A201-M205 PolarHBondContact O-N 3.43Å; L202-M205 PolarHBondContact O-N 3.35Å; K203-M205 PolarHBondContact O-N 2.88Å; M205-P208 VanDerWaalsContact O-CD 3.25Å; M205-P208 WeakPolarHBondContact O-CD 3.49Å; M205-P208 VanDerWaalsContact O-CG 3.26Å; M205-P208 WeakPolarHBondContact O-CG 3.5Å; M205-Y209 WeakPolarHBondContact O-CD2 3.31Å; M205-Y209 WeakPolarHBondContact O-CE2 3.41Å |
| 206 | A | 72.9 | Confident | 76.9 | Confident | 39 Ų | 39 | 103.2 Ų | 103.2 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.9 | -28.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L202 K203 Y209 V210 | L202-A206 WeakPolarHBondContact O-CB 3.39Å; L202-A206 PolarHBondContact O-N 3.18Å; K203-A206 PolarHBondContact O-N 3.49Å; A206-Y209 PolarHBondContact O-N 3.01Å; A206-V210 WeakPolarHBondContact O-CG2 3.34Å; A206-V210 PolarHBondContact O-N 2.93Å |
| 207 | T | 77.7 | Confident | 76.1 | Confident | 70 Ų | 70 | 104.5 Ų | 104.5 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -52.8 | -51.4 | -180 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | K203 Y209 V210 E211 | K203-T207 WeakPolarHBondContact O-CB 3.36Å; K203-T207 PolarHBondContact O-N 3.03Å; K203-T207 PolarHBondContact O-OG1 3.37Å; T207-Y209 VanDerWaalsContact C-N 3.35Å; T207-Y209 PolarHBondContact O-N 2.89Å; T207-V210 PolarHBondContact O-N 2.73Å; T207-E211 PolarHBondContact O-N 2.63Å |
| 208 | P | 80.4 | Confident | 75.5 | Confident | 74 Ų | 74 | 106.6 Ų | 106.6 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 177.8 | 24.8 | -34.8 | 0 | 0 | 0 | 112.6 | A204 M205 E211 E212 | A204-P208 WeakPolarHBondContact O-CD 3.41Å; M205-P208 VanDerWaalsContact O-CD 3.25Å; M205-P208 WeakPolarHBondContact O-CD 3.49Å; M205-P208 VanDerWaalsContact O-CG 3.26Å; M205-P208 WeakPolarHBondContact O-CG 3.5Å; P208-E211 PolarHBondContact O-N 2.88Å; P208-E212 VanDerWaalsContact O-CB 3.25Å; P208-E212 WeakPolarHBondContact O-CB 3.34Å; P208-E212 PolarHBondContact O-N 3.31Å |
| 209 | Y | 73.1 | Confident | 75.1 | Confident | 157 Ų | 157 | 102.7 Ų | 102.7 | 62% | 0.616 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -38.9 | 176 | -66.7 | -74.4 | 0 | 0 | 0 | 112.3 | M205 A206 T207 E212 Y213 | M205-Y209 WeakPolarHBondContact O-CD2 3.31Å; M205-Y209 WeakPolarHBondContact O-CE2 3.41Å; A206-Y209 PolarHBondContact O-N 3.01Å; T207-Y209 VanDerWaalsContact C-N 3.35Å; T207-Y209 PolarHBondContact O-N 2.89Å; Y209-E212 PolarHBondContact O-N 3.5Å; Y209-Y213 VanDerWaalsContact O-CB 3.25Å; Y209-Y213 WeakPolarHBondContact O-CB 3.16Å; Y209-Y213 PolarHBondContact O-N 2.96Å |
| 210 | V | 73.6 | Confident | 74.4 | Confident | 91 Ų | 91 | 99.3 Ų | 99.3 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -43 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | A206 T207 Y213 K214 | A206-V210 WeakPolarHBondContact O-CG2 3.34Å; A206-V210 PolarHBondContact O-N 2.93Å; T207-V210 PolarHBondContact O-N 2.73Å; V210-Y213 PolarHBondContact O-N 3.1Å; V210-K214 VanDerWaalsContact O-CB 3.28Å; V210-K214 WeakPolarHBondContact O-CB 3.34Å; V210-K214 PolarHBondContact O-N 2.96Å |
| 211 | E | 77.6 | Confident | 73.4 | Confident | 90 Ų | 90 | 101.3 Ų | 101.3 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.4 | -37.8 | 176.8 | -68.3 | -59 | 174 | 0 | 0 | 112.1 | T207 P208 Y213 K214 E215 | T207-E211 PolarHBondContact O-N 2.63Å; P208-E211 PolarHBondContact O-N 2.88Å; E211-Y213 PolarHBondContact O-N 3.34Å; E211-K214 PolarHBondContact O-N 3.33Å; E211-K214 IonicContact OE1-NZ 4Å; E211-K214 WeakPolarHBondContact OE2-CD 3.43Å; E211-K214 IonicContact OE2-NZ 2.95Å; E211-K214 PolarHBondContact OE2-NZ 2.88Å; E211-E215 WeakPolarHBondContact O-CB 3.49Å; E211-E215 PolarHBondContact O-N 2.88Å |
| 212 | E | 74.9 | Confident | 72.5 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 172.4 | -170.1 | -178.6 | 176.6 | 0 | 0 | 111.2 | P208 Y209 K214 E215 Q216 | P208-E212 VanDerWaalsContact O-CB 3.25Å; P208-E212 WeakPolarHBondContact O-CB 3.34Å; P208-E212 PolarHBondContact O-N 3.31Å; Y209-E212 PolarHBondContact O-N 3.5Å; E212-K214 VanDerWaalsContact C-N 3.35Å; E212-K214 PolarHBondContact O-N 2.81Å; E212-E215 PolarHBondContact O-N 3.45Å; E212-Q216 HydrophobicContact CG-CG 4.47Å; E212-Q216 WeakPolarHBondContact O-CB 3.49Å; E212-Q216 VanDerWaalsContact O-CG 3.25Å; E212-Q216 WeakPolarHBondContact O-CG 3.34Å; E212-Q216 PolarHBondContact O-N 3.37Å; E212-Q216 PolarHBondContact OE1-NE2 3.36Å |
| 213 | Y | 69.9 | Low | 71.6 | Confident | 131 Ų | 131 | 103.5 Ų | 103.5 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -38.1 | 178 | -152.4 | -95.4 | 0 | 0 | 0 | 112.1 | Y209 V210 E211 L217 | Y209-Y213 VanDerWaalsContact O-CB 3.25Å; Y209-Y213 WeakPolarHBondContact O-CB 3.16Å; Y209-Y213 PolarHBondContact O-N 2.96Å; V210-Y213 PolarHBondContact O-N 3.1Å; E211-Y213 PolarHBondContact O-N 3.34Å; Y213-L217 HydrophobicContact CD1-CD1 3.61Å; Y213-L217 HydrophobicContact CD1-CG 4.13Å; Y213-L217 HydrophobicContact CE1-CD1 3.8Å; Y213-L217 HydrophobicContact CE1-CG 4.18Å; Y213-L217 VanDerWaalsContact O-CB 3.27Å; Y213-L217 WeakPolarHBondContact O-CB 3.25Å; Y213-L217 WeakPolarHBondContact O-CG 3.07Å; Y213-L217 PolarHBondContact O-N 3.23Å |
| 214 | K | 72.8 | Confident | 70.6 | Confident | 96 Ų | 96 | 99.1 Ų | 99.1 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -37 | 175.4 | -172.9 | -169.6 | -179.2 | -175.6 | 0 | 111.7 | V210 E211 E212 L217 R218 | V210-K214 VanDerWaalsContact O-CB 3.28Å; V210-K214 WeakPolarHBondContact O-CB 3.34Å; V210-K214 PolarHBondContact O-N 2.96Å; E211-K214 PolarHBondContact O-N 3.33Å; E211-K214 IonicContact OE1-NZ 4Å; E211-K214 WeakPolarHBondContact OE2-CD 3.43Å; E211-K214 IonicContact OE2-NZ 2.95Å; E211-K214 PolarHBondContact OE2-NZ 2.88Å; E212-K214 VanDerWaalsContact C-N 3.35Å; E212-K214 PolarHBondContact O-N 2.81Å; K214-L217 PolarHBondContact O-N 3.25Å; K214-R218 WeakPolarHBondContact O-CB 3.26Å; K214-R218 PolarHBondContact O-N 3.34Å |
| 215 | E | 74.6 | Confident | 69.3 | Low | 111 Ų | 111 | 103.8 Ų | 103.8 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.1 | -43.5 | 175.3 | -154.1 | 64.4 | -159.3 | 0 | 0 | 110.8 | E211 E212 L217 R218 Q219 | E211-E215 WeakPolarHBondContact O-CB 3.49Å; E211-E215 PolarHBondContact O-N 2.88Å; E212-E215 PolarHBondContact O-N 3.45Å; E215-L217 VanDerWaalsContact C-N 3.34Å; E215-L217 PolarHBondContact O-N 3.08Å; E215-R218 WeakPolarHBondContact O-CB 3.4Å; E215-R218 PolarHBondContact O-N 3.09Å; E215-Q219 VanDerWaalsContact O-CB 3.28Å; E215-Q219 WeakPolarHBondContact O-CB 3.2Å; E215-Q219 PolarHBondContact O-N 3.44Å |
| 216 | Q | 70.4 | Confident | 68.5 | Low | 89 Ų | 89 | 100.3 Ų | 100.3 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 172.4 | -73.6 | 179.3 | 12.7 | 0 | 0 | 111.7 | E212 Q219 A220 | E212-Q216 HydrophobicContact CG-CG 4.47Å; E212-Q216 WeakPolarHBondContact O-CB 3.49Å; E212-Q216 VanDerWaalsContact O-CG 3.25Å; E212-Q216 WeakPolarHBondContact O-CG 3.34Å; E212-Q216 PolarHBondContact O-N 3.37Å; E212-Q216 PolarHBondContact OE1-NE2 3.36Å; Q216-Q219 PolarHBondContact O-N 3.29Å; Q216-A220 WeakPolarHBondContact O-CB 3.39Å; Q216-A220 PolarHBondContact O-N 2.88Å |
| 217 | L | 67.8 | Low | 67.6 | Low | 100 Ų | 100 | 100.3 Ų | 100.3 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 173.9 | -85.4 | 167.9 | 0 | 0 | 0 | 112.1 | Y213 K214 E215 Q219 A220 Y221 | Y213-L217 HydrophobicContact CD1-CD1 3.61Å; Y213-L217 HydrophobicContact CD1-CG 4.13Å; Y213-L217 HydrophobicContact CE1-CD1 3.8Å; Y213-L217 HydrophobicContact CE1-CG 4.18Å; Y213-L217 VanDerWaalsContact O-CB 3.27Å; Y213-L217 WeakPolarHBondContact O-CB 3.25Å; Y213-L217 WeakPolarHBondContact O-CG 3.07Å; Y213-L217 PolarHBondContact O-N 3.23Å; K214-L217 PolarHBondContact O-N 3.25Å; E215-L217 VanDerWaalsContact C-N 3.34Å; E215-L217 PolarHBondContact O-N 3.08Å; L217-Q219 VanDerWaalsContact C-N 3.33Å; L217-A220 PolarHBondContact O-N 3.07Å; L217-Y221 WeakPolarHBondContact O-CB 3.47Å; L217-Y221 PolarHBondContact O-N 3.44Å |
| 218 | R | 71.1 | Confident | 66.8 | Low | 158 Ų | 158 | 103.5 Ų | 103.5 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 172.8 | -94.6 | -176.9 | 166.5 | 152.1 | -4.3 | 111.5 | K214 E215 Y221 S222 | K214-R218 WeakPolarHBondContact O-CB 3.26Å; K214-R218 PolarHBondContact O-N 3.34Å; E215-R218 WeakPolarHBondContact O-CB 3.4Å; E215-R218 PolarHBondContact O-N 3.09Å; R218-Y221 PolarHBondContact O-N 3.49Å; R218-S222 WeakPolarHBondContact O-CB 3.27Å; R218-S222 PolarHBondContact O-N 2.81Å; R218-S222 PolarHBondContact O-OG 3.27Å |
| 219 | Q | 70.1 | Confident | 65.7 | Low | 113 Ų | 113 | 103.6 Ų | 103.6 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 179 | -159.4 | 174.3 | 25.4 | 0 | 0 | 110.6 | E215 Q216 L217 Y221 S222 Q223 | E215-Q219 VanDerWaalsContact O-CB 3.28Å; E215-Q219 WeakPolarHBondContact O-CB 3.2Å; E215-Q219 PolarHBondContact O-N 3.44Å; Q216-Q219 PolarHBondContact O-N 3.29Å; L217-Q219 VanDerWaalsContact C-N 3.33Å; Q219-Y221 VanDerWaalsContact C-N 3.34Å; Q219-Y221 PolarHBondContact O-N 3.44Å; Q219-S222 WeakPolarHBondContact CA-OG 3.06Å; Q219-S222 PolarHBondContact O-N 3.49Å; Q219-S222 PolarHBondContact O-OG 3.49Å; Q219-Q223 WeakPolarHBondContact O-CB 3.34Å; Q219-Q223 WeakPolarHBondContact O-CG 3.25Å; Q219-Q223 PolarHBondContact O-N 3.01Å |
| 220 | A | 64.8 | Low | 65.1 | Low | 33 Ų | 33 | 104.1 Ų | 104.1 | 27% | 0.273 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q216 L217 Q223 A224 | Q216-A220 WeakPolarHBondContact O-CB 3.39Å; Q216-A220 PolarHBondContact O-N 2.88Å; L217-A220 PolarHBondContact O-N 3.07Å; A220-Q223 PolarHBondContact O-N 3.19Å; A220-A224 WeakPolarHBondContact O-CB 3.25Å; A220-A224 PolarHBondContact O-N 2.94Å |
| 221 | Y | 59.5 | Low | 64.3 | Low | 175 Ų | 175 | 104.5 Ų | 104.5 | 69% | 0.686 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.8 | -38.3 | 176 | -168.1 | -94.1 | 0 | 0 | 0 | 112.1 | L217 R218 Q219 A224 Q225 | L217-Y221 WeakPolarHBondContact O-CB 3.47Å; L217-Y221 PolarHBondContact O-N 3.44Å; R218-Y221 PolarHBondContact O-N 3.49Å; Q219-Y221 VanDerWaalsContact C-N 3.34Å; Q219-Y221 PolarHBondContact O-N 3.44Å; Y221-A224 PolarHBondContact O-N 3.17Å; Y221-Q225 PolarHBondContact O-N 3.38Å |
| 222 | S | 62.9 | Low | 63.3 | Low | 73 Ų | 73 | 105.4 Ų | 105.4 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.9 | -34 | 172.7 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | R218 Q219 | R218-S222 WeakPolarHBondContact O-CB 3.27Å; R218-S222 PolarHBondContact O-N 2.81Å; R218-S222 PolarHBondContact O-OG 3.27Å; Q219-S222 WeakPolarHBondContact CA-OG 3.06Å; Q219-S222 PolarHBondContact O-N 3.49Å; Q219-S222 PolarHBondContact O-OG 3.49Å |
| 223 | Q | 58.5 | Low | 62.7 | Low | 112 Ų | 112 | 104.1 Ų | 104.1 | 52% | 0.523 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 172.9 | -76.6 | 176.8 | 8.9 | 0 | 0 | 110.3 | Q219 A220 Q225 G226 V227 | Q219-Q223 WeakPolarHBondContact O-CB 3.34Å; Q219-Q223 WeakPolarHBondContact O-CG 3.25Å; Q219-Q223 PolarHBondContact O-N 3.01Å; A220-Q223 PolarHBondContact O-N 3.19Å; Q223-Q225 PolarHBondContact O-N 2.95Å; Q223-Q225 VanDerWaalsContact O-N 3.14Å; Q223-G226 PolarHBondContact O-N 2.91Å; Q223-V227 VanDerWaalsContact O-CG2 3.31Å; Q223-V227 WeakPolarHBondContact O-CG2 3.28Å |
| 224 | A | 54.4 | Low | 62.4 | Low | 59 Ų | 59 | 100.2 Ų | 100.2 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.7 | -19.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A220 Y221 G226 | A220-A224 WeakPolarHBondContact O-CB 3.25Å; A220-A224 PolarHBondContact O-N 2.94Å; Y221-A224 PolarHBondContact O-N 3.17Å; A224-G226 PolarHBondContact O-N 3.41Å; A224-G226 VanDerWaalsContact O-N 3.14Å |
| 225 | Q | 52.4 | Low | 61.9 | Low | 165 Ų | 165 | 99.3 Ų | 99.3 | 77% | 0.771 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3.7 | 168.8 | -77.3 | -172 | -1.6 | 0 | 0 | 113.7 | Y221 Q223 | Y221-Q225 PolarHBondContact O-N 3.38Å; Q223-Q225 PolarHBondContact O-N 2.95Å; Q223-Q225 VanDerWaalsContact O-N 3.14Å |
| 226 | G | 60.1 | Low | 61.2 | Low | 65 Ų | 65 | 103.2 Ų | 103.2 | 67% | 0.67 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.7 | 31.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q223 A224 | Q223-G226 PolarHBondContact O-N 2.91Å; A224-G226 PolarHBondContact O-N 3.41Å; A224-G226 VanDerWaalsContact O-N 3.14Å |
| 227 | V | 52.6 | Low | 61.1 | Low | 38 Ų | 38 | 105.8 Ų | 105.8 | 23% | 0.23 | 55% | 0.552 | C | S | . | * | trans | -97.4 | 125 | -172.8 | 173 | 0 | 0 | 0 | 0 | 113.9 | Q223 Q231 I232 | Q223-V227 VanDerWaalsContact O-CG2 3.31Å; Q223-V227 WeakPolarHBondContact O-CG2 3.28Å; V227-Q231 HydrophobicContact CG1-CB 3.81Å; V227-I232 HydrophobicContact CG1-CD1 4.42Å; V227-I232 HydrophobicContact CG1-CG1 3.74Å | ||
| 228 | N | 62.2 | Low | 61 | Low | 137 Ų | 137 | 108.1 Ų | 108.1 | 73% | 0.733 | 56% | 0.558 | S | S | * | * | trans | -87.8 | 160 | 160.9 | -86.4 | -16.8 | 0 | 0 | 0 | 111.7 | E230 Q231 | N228-E230 PolarHBondContact O-N 2.93Å; N228-Q231 PolarHBondContact O-N 3.28Å; N228-Q231 VanDerWaalsContact O-N 3.1Å | ||
| 229 | A | 56.7 | Low | 60.5 | Low | 77 Ų | 77 | 104.8 Ų | 104.8 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -47.6 | -30.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q231 I232 T233 | A229-Q231 PolarHBondContact O-N 2.85Å; A229-I232 PolarHBondContact O-N 3.49Å; A229-T233 PolarHBondContact O-N 3.47Å; A229-T233 PolarHBondContact O-OG1 3.34Å |
| 230 | E | 59.4 | Low | 60.4 | Low | 168 Ų | 168 | 103.4 Ų | 103.4 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.7 | -31.7 | -179.4 | -71.6 | -179.6 | 159.2 | 0 | 0 | 114.3 | N228 T233 S234 | N228-E230 PolarHBondContact O-N 2.93Å; E230-T233 PolarHBondContact O-N 3.43Å; E230-T233 PolarHBondContact O-OG1 3Å; E230-S234 PolarHBondContact O-N 2.81Å |
| 231 | Q | 57.4 | Low | 60.7 | Low | 98 Ų | 98 | 105.2 Ų | 105.2 | 46% | 0.458 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -82.3 | -22.3 | -179.1 | -49.8 | 177.8 | -1.2 | 0 | 0 | 112 | V227 N228 A229 T233 S234 L235 | V227-Q231 HydrophobicContact CG1-CB 3.81Å; N228-Q231 PolarHBondContact O-N 3.28Å; N228-Q231 VanDerWaalsContact O-N 3.1Å; A229-Q231 PolarHBondContact O-N 2.85Å; Q231-T233 VanDerWaalsContact C-N 3.29Å; Q231-S234 PolarHBondContact O-N 3.49Å; Q231-S234 PolarHBondContact O-OG 2.85Å; Q231-L235 WeakPolarHBondContact O-CB 3.28Å; Q231-L235 PolarHBondContact O-N 2.82Å |
| 232 | I | 57.7 | Low | 60.8 | Low | 109 Ų | 109 | 100.8 Ų | 100.8 | 56% | 0.559 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | 169.7 | -61 | -176.6 | 0 | 0 | 0 | 109.7 | V227 A229 R236 | V227-I232 HydrophobicContact CG1-CD1 4.42Å; V227-I232 HydrophobicContact CG1-CG1 3.74Å; A229-I232 PolarHBondContact O-N 3.49Å; I232-R236 WeakPolarHBondContact O-CB 3.41Å; I232-R236 PolarHBondContact O-N 3.5Å |
| 233 | T | 61.2 | Low | 61 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 176 | -23.1 | 0 | 0 | 0 | 0 | 111.4 | A229 E230 Q231 R236 E237 | A229-T233 PolarHBondContact O-N 3.47Å; A229-T233 PolarHBondContact O-OG1 3.34Å; E230-T233 PolarHBondContact O-N 3.43Å; E230-T233 PolarHBondContact O-OG1 3Å; Q231-T233 VanDerWaalsContact C-N 3.29Å; T233-R236 WeakPolarHBondContact O-CB 3.19Å; T233-R236 PolarHBondContact O-N 2.94Å; T233-E237 PolarHBondContact O-N 3.27Å |
| 234 | S | 63.5 | Low | 61.6 | Low | 49 Ų | 49 | 100.5 Ų | 100.5 | 34% | 0.343 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.6 | -31.9 | 178.9 | 77 | 0 | 0 | 0 | 0 | 113.5 | E230 Q231 K238 | E230-S234 PolarHBondContact O-N 2.81Å; Q231-S234 PolarHBondContact O-N 3.49Å; Q231-S234 PolarHBondContact O-OG 2.85Å; S234-K238 WeakPolarHBondContact O-CG 3.3Å; S234-K238 PolarHBondContact O-N 2.98Å |
| 235 | L | 62.1 | Low | 62.3 | Low | 77 Ų | 77 | 101.9 Ų | 101.9 | 40% | 0.403 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 169.4 | -88.3 | 158.3 | 0 | 0 | 0 | 111.5 | Q231 K238 L239 | Q231-L235 WeakPolarHBondContact O-CB 3.28Å; Q231-L235 PolarHBondContact O-N 2.82Å; L235-K238 PolarHBondContact O-N 3.43Å; L235-L239 WeakPolarHBondContact O-CB 3.19Å; L235-L239 WeakPolarHBondContact O-CD1 3.43Å; L235-L239 VanDerWaalsContact O-CG 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.44Å; L235-L239 PolarHBondContact O-N 3.42Å |
| 236 | R | 59.8 | Low | 63.1 | Low | 193 Ų | 193 | 98.2 Ų | 98.2 | 73% | 0.728 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 177 | -162.1 | 178.7 | -172.9 | 179.4 | 1.9 | 111.7 | I232 T233 K238 L239 T240 | I232-R236 WeakPolarHBondContact O-CB 3.41Å; I232-R236 PolarHBondContact O-N 3.5Å; T233-R236 WeakPolarHBondContact O-CB 3.19Å; T233-R236 PolarHBondContact O-N 2.94Å; R236-K238 VanDerWaalsContact C-N 3.35Å; R236-L239 PolarHBondContact O-N 2.87Å; R236-T240 PolarHBondContact O-N 3.27Å; R236-T240 PolarHBondContact O-OG1 2.68Å |
| 237 | E | 68.6 | Low | 63.4 | Low | 142 Ų | 142 | 102.6 Ų | 102.6 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.2 | -39.2 | 174.2 | -76.7 | 179.6 | 167.8 | 0 | 0 | 112.2 | T233 P241 | T233-E237 PolarHBondContact O-N 3.27Å; E237-P241 WeakPolarHBondContact O-CD 3.16Å |
| 238 | K | 65.6 | Low | 64.3 | Low | 149 Ų | 149 | 107.7 Ų | 107.7 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -75.1 | -29.9 | 177.6 | -72.9 | -179.7 | 179.9 | -177.4 | 0 | 114.2 | S234 L235 R236 P241 | S234-K238 WeakPolarHBondContact O-CG 3.3Å; S234-K238 PolarHBondContact O-N 2.98Å; L235-K238 PolarHBondContact O-N 3.43Å; R236-K238 VanDerWaalsContact C-N 3.35Å; K238-P241 WeakPolarHBondContact O-CD 3.46Å; K238-P241 WeakPolarHBondContact O-CG 3.48Å |
| 239 | L | 61.2 | Low | 64.4 | Low | 89 Ų | 89 | 106.7 Ų | 106.7 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -77.7 | -23.5 | 178.9 | -75.1 | 166.3 | 0 | 0 | 0 | 113.2 | L235 R236 L242 G243 | L235-L239 WeakPolarHBondContact O-CB 3.19Å; L235-L239 WeakPolarHBondContact O-CD1 3.43Å; L235-L239 VanDerWaalsContact O-CG 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.44Å; L235-L239 PolarHBondContact O-N 3.42Å; R236-L239 PolarHBondContact O-N 2.87Å; L239-L242 PolarHBondContact O-N 2.86Å; L239-G243 PolarHBondContact O-N 3.4Å |
| 240 | T | 68 | Low | 64.8 | Low | 83 Ų | 83 | 108.3 Ų | 108.3 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -52 | 178.9 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | R236 L242 G243 E244 | R236-T240 PolarHBondContact O-N 3.27Å; R236-T240 PolarHBondContact O-OG1 2.68Å; T240-L242 PolarHBondContact O-N 2.79Å; T240-G243 PolarHBondContact O-N 3.38Å; T240-E244 PolarHBondContact O-N 3.34Å |
| 241 | P | 71.9 | Confident | 65.2 | Low | 71 Ų | 71 | 106.5 Ų | 106.5 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -31.9 | 178.1 | 26.9 | -35.1 | 0 | 0 | 0 | 113.2 | E237 K238 G243 E244 E245 | E237-P241 WeakPolarHBondContact O-CD 3.16Å; K238-P241 WeakPolarHBondContact O-CD 3.46Å; K238-P241 WeakPolarHBondContact O-CG 3.48Å; P241-G243 VanDerWaalsContact C-N 3.35Å; P241-E244 PolarHBondContact O-N 2.8Å; P241-E245 PolarHBondContact O-N 3.48Å |
| 242 | L | 61.3 | Low | 65.7 | Low | 83 Ų | 83 | 104.3 Ų | 104.3 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 175 | -83 | 160.2 | 0 | 0 | 0 | 112 | L239 T240 E244 E245 V246 | L239-L242 PolarHBondContact O-N 2.86Å; T240-L242 PolarHBondContact O-N 2.79Å; L242-E244 VanDerWaalsContact C-N 3.33Å; L242-E245 PolarHBondContact O-N 2.76Å; L242-V246 WeakPolarHBondContact O-CB 3.48Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.28Å; L242-V246 PolarHBondContact O-N 3.41Å |
| 243 | G | 66.3 | Low | 65.8 | Low | 44 Ų | 44 | 103.8 Ų | 103.8 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L239 T240 P241 K247 | L239-G243 PolarHBondContact O-N 3.4Å; T240-G243 PolarHBondContact O-N 3.38Å; P241-G243 VanDerWaalsContact C-N 3.35Å; G243-K247 WeakPolarHBondContact O-CB 3.33Å; G243-K247 PolarHBondContact O-N 3.22Å |
| 244 | E | 71.4 | Confident | 65.8 | Low | 134 Ų | 134 | 102.7 Ų | 102.7 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.3 | -44.1 | 174.1 | -70.2 | -173.6 | 159 | 0 | 0 | 111.7 | T240 P241 L242 V246 K247 E248 | T240-E244 PolarHBondContact O-N 3.34Å; P241-E244 PolarHBondContact O-N 2.8Å; L242-E244 VanDerWaalsContact C-N 3.33Å; E244-V246 PolarHBondContact O-N 2.8Å; E244-K247 WeakPolarHBondContact O-CB 3.25Å; E244-K247 PolarHBondContact O-N 3.44Å; E244-E248 WeakPolarHBondContact O-CB 3.22Å; E244-E248 PolarHBondContact O-N 3.45Å |
| 245 | E | 68.2 | Low | 66 | Low | 88 Ų | 88 | 103.3 Ų | 103.3 | 41% | 0.411 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 178.2 | -162.5 | -171.4 | 161.9 | 0 | 0 | 112.1 | P241 L242 E248 K249 | P241-E245 PolarHBondContact O-N 3.48Å; L242-E245 PolarHBondContact O-N 2.76Å; E245-E248 PolarHBondContact O-N 2.74Å; E245-K249 WeakPolarHBondContact O-CB 3.35Å; E245-K249 WeakPolarHBondContact O-CG 3.35Å; E245-K249 PolarHBondContact O-N 3.29Å; E245-K249 VanDerWaalsContact OE1-CE 3.3Å; E245-K249 WeakPolarHBondContact OE1-CE 3.05Å; E245-K249 IonicContact OE1-NZ 3.74Å; E245-K249 PolarHBondContact OE1-NZ 2.79Å |
| 246 | V | 69 | Low | 66.2 | Low | 88 Ų | 88 | 104.9 Ų | 104.9 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 174.5 | 170 | 0 | 0 | 0 | 0 | 111.2 | L242 E244 E248 K249 L250 | L242-V246 WeakPolarHBondContact O-CB 3.48Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.28Å; L242-V246 PolarHBondContact O-N 3.41Å; E244-V246 PolarHBondContact O-N 2.8Å; V246-E248 VanDerWaalsContact C-N 3.32Å; V246-E248 PolarHBondContact O-N 3.35Å; V246-K249 PolarHBondContact O-N 3.23Å; V246-L250 HydrophobicContact CG1-CD1 4.08Å; V246-L250 WeakPolarHBondContact O-CB 3.35Å; V246-L250 PolarHBondContact O-N 2.88Å |
| 247 | K | 67.3 | Low | 66.1 | Low | 157 Ų | 157 | 100.5 Ų | 100.5 | 68% | 0.683 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 176.9 | -171.9 | 179.8 | 179.3 | -175.7 | 0 | 111.3 | G243 E244 L250 H251 | G243-K247 WeakPolarHBondContact O-CB 3.33Å; G243-K247 PolarHBondContact O-N 3.22Å; E244-K247 WeakPolarHBondContact O-CB 3.25Å; E244-K247 PolarHBondContact O-N 3.44Å; K247-L250 PolarHBondContact O-N 3.46Å; K247-H251 WeakPolarHBondContact O-CB 3.41Å; K247-H251 PolarHBondContact O-N 3.35Å |
| 248 | E | 71.6 | Confident | 65.6 | Low | 145 Ų | 145 | 101 Ų | 101 | 68% | 0.678 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -44 | 178.1 | -159.3 | 175.4 | -159.2 | 0 | 0 | 111.6 | E244 E245 V246 L250 H251 A252 | E244-E248 WeakPolarHBondContact O-CB 3.22Å; E244-E248 PolarHBondContact O-N 3.45Å; E245-E248 PolarHBondContact O-N 2.74Å; V246-E248 VanDerWaalsContact C-N 3.32Å; V246-E248 PolarHBondContact O-N 3.35Å; E248-L250 PolarHBondContact O-N 2.99Å; E248-H251 PolarHBondContact O-N 3.2Å; E248-A252 PolarHBondContact O-N 3.22Å |
| 249 | K | 64.4 | Low | 65.2 | Low | 117 Ų | 117 | 98.2 Ų | 98.2 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 175.2 | -74.1 | 179.6 | -175.2 | 166.8 | 0 | 112.9 | E245 V246 A252 M253 | E245-K249 WeakPolarHBondContact O-CB 3.35Å; E245-K249 WeakPolarHBondContact O-CG 3.35Å; E245-K249 PolarHBondContact O-N 3.29Å; E245-K249 VanDerWaalsContact OE1-CE 3.3Å; E245-K249 WeakPolarHBondContact OE1-CE 3.05Å; E245-K249 IonicContact OE1-NZ 3.74Å; E245-K249 PolarHBondContact OE1-NZ 2.79Å; V246-K249 PolarHBondContact O-N 3.23Å; K249-A252 PolarHBondContact O-N 2.9Å; K249-M253 PolarHBondContact O-N 3.45Å |
| 250 | L | 64.4 | Low | 64.7 | Low | 111 Ų | 111 | 98.6 Ų | 98.6 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -39.2 | 173.3 | -83.3 | 168.3 | 0 | 0 | 0 | 111.9 | V246 K247 E248 A252 M253 A254 | V246-L250 HydrophobicContact CG1-CD1 4.08Å; V246-L250 WeakPolarHBondContact O-CB 3.35Å; V246-L250 PolarHBondContact O-N 2.88Å; K247-L250 PolarHBondContact O-N 3.46Å; E248-L250 PolarHBondContact O-N 2.99Å; L250-A252 VanDerWaalsContact C-N 3.35Å; L250-M253 PolarHBondContact O-N 3.27Å; L250-A254 PolarHBondContact O-N 3.48Å |
| 251 | H | 68.5 | Low | 63.8 | Low | 129 Ų | 129 | 102.7 Ų | 102.7 | 60% | 0.597 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.9 | -39.1 | 176.2 | -155.9 | -54.1 | 0 | 0 | 0 | 111.6 | K247 E248 A254 V255 | K247-H251 WeakPolarHBondContact O-CB 3.41Å; K247-H251 PolarHBondContact O-N 3.35Å; E248-H251 PolarHBondContact O-N 3.2Å; H251-A254 PolarHBondContact O-N 3.01Å; H251-V255 WeakPolarHBondContact O-CG2 3.31Å; H251-V255 PolarHBondContact O-N 3.44Å; H251-V255 VanDerWaalsContact O-N 3.09Å |
| 252 | A | 67.6 | Low | 62.7 | Low | 53 Ų | 53 | 103.1 Ų | 103.1 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E248 K249 L250 V255 I256 | E248-A252 PolarHBondContact O-N 3.22Å; K249-A252 PolarHBondContact O-N 2.9Å; L250-A252 VanDerWaalsContact C-N 3.35Å; A252-V255 PolarHBondContact O-N 2.94Å; A252-I256 WeakPolarHBondContact O-CG1 3.47Å; A252-I256 PolarHBondContact O-N 3.14Å; A252-I256 VanDerWaalsContact O-N 3.08Å |
| 253 | M | 60.8 | Low | 61.9 | Low | 97 Ų | 97 | 107.8 Ų | 107.8 | 48% | 0.478 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63 | -41.6 | 174.7 | -75.8 | -173.8 | 168 | 0 | 0 | 112.6 | L202 K249 L250 V255 I256 I257 | L202-M253 HydrophobicContact CD1-CE 3.93Å; K249-M253 PolarHBondContact O-N 3.45Å; L250-M253 PolarHBondContact O-N 3.27Å; M253-V255 VanDerWaalsContact C-N 3.31Å; M253-V255 PolarHBondContact O-N 3.14Å; M253-I256 PolarHBondContact O-N 3.41Å; M253-I257 WeakPolarHBondContact O-CG1 3.43Å; M253-I257 PolarHBondContact O-N 2.84Å |
| 254 | A | 61.1 | Low | 60.6 | Low | 57 Ų | 57 | 116.1 Ų | 116.1 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L250 H251 K258 | L250-A254 PolarHBondContact O-N 3.48Å; H251-A254 PolarHBondContact O-N 3.01Å; A254-K258 WeakPolarHBondContact O-CB 3.45Å; A254-K258 PolarHBondContact O-N 3.42Å |
| 255 | V | 66.4 | Low | 60 | Low | 62 Ų | 62 | 115.3 Ų | 115.3 | 38% | 0.376 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.1 | -45 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | H251 A252 M253 I257 K258 D259 | H251-V255 WeakPolarHBondContact O-CG2 3.31Å; H251-V255 PolarHBondContact O-N 3.44Å; H251-V255 VanDerWaalsContact O-N 3.09Å; A252-V255 PolarHBondContact O-N 2.94Å; M253-V255 VanDerWaalsContact C-N 3.31Å; M253-V255 PolarHBondContact O-N 3.14Å; V255-I257 VanDerWaalsContact C-N 3.3Å; V255-I257 PolarHBondContact O-N 3.15Å; V255-K258 PolarHBondContact O-N 3.03Å; V255-D259 PolarHBondContact O-N 3.43Å |
| 256 | I | 66 | Low | 59.6 | Low | 110 Ų | 110 | 116.7 Ų | 116.7 | 56% | 0.564 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.6 | -41.3 | 177.9 | -67.4 | 165.4 | 0 | 0 | 0 | 111.3 | A252 M253 T260 | A252-I256 WeakPolarHBondContact O-CG1 3.47Å; A252-I256 PolarHBondContact O-N 3.14Å; A252-I256 VanDerWaalsContact O-N 3.08Å; M253-I256 PolarHBondContact O-N 3.41Å; I256-T260 WeakPolarHBondContact O-CB 3.4Å; I256-T260 PolarHBondContact O-N 3.39Å; I256-T260 VanDerWaalsContact O-N 3.1Å; I256-T260 PolarHBondContact O-OG1 2.98Å |
| 257 | I | 58 | Low | 59.1 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 52% | 0.518 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64 | -48.4 | 175.9 | -67.4 | 168.2 | 0 | 0 | 0 | 110 | M253 V255 D259 T260 F261 | M253-I257 WeakPolarHBondContact O-CG1 3.43Å; M253-I257 PolarHBondContact O-N 2.84Å; V255-I257 VanDerWaalsContact C-N 3.3Å; V255-I257 PolarHBondContact O-N 3.15Å; I257-D259 VanDerWaalsContact C-N 3.34Å; I257-D259 PolarHBondContact O-N 2.99Å; I257-T260 PolarHBondContact O-N 3.46Å; I257-F261 HydrophobicContact CG2-CD2 3.94Å; I257-F261 HydrophobicContact CG2-CE2 3.98Å; I257-F261 VanDerWaalsContact O-CD2 3.3Å; I257-F261 WeakPolarHBondContact O-CD2 3.44Å; I257-F261 PolarHBondContact O-N 3.45Å |
| 258 | K | 58.5 | Low | 58.6 | Low | 154 Ų | 154 | 116 Ų | 116 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.8 | -42.5 | 178.7 | -174.4 | -179.1 | 176.1 | -176.5 | 0 | 112.8 | A254 V255 T260 F261 S262 | A254-K258 WeakPolarHBondContact O-CB 3.45Å; A254-K258 PolarHBondContact O-N 3.42Å; V255-K258 PolarHBondContact O-N 3.03Å; K258-T260 VanDerWaalsContact C-N 3.3Å; K258-T260 PolarHBondContact O-N 2.7Å; K258-F261 PolarHBondContact O-N 3.05Å; K258-S262 PolarHBondContact O-N 2.93Å; K258-S262 VanDerWaalsContact O-N 3.13Å; K258-S262 PolarHBondContact O-OG 3.1Å |
| 259 | D | 57.3 | Low | 57.8 | Low | 90 Ų | 90 | 114.2 Ų | 114.2 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.5 | -25.1 | 179.6 | -77.7 | -9.2 | 0 | 0 | 0 | 113.2 | V255 I257 S262 | V255-D259 PolarHBondContact O-N 3.43Å; I257-D259 VanDerWaalsContact C-N 3.34Å; I257-D259 PolarHBondContact O-N 2.99Å; D259-S262 WeakPolarHBondContact CA-OG 3.37Å; D259-S262 PolarHBondContact O-OG 3.25Å |
| 260 | T | 50.3 | Low | 57.3 | Low | 96 Ų | 96 | 114 Ų | 114 | 59% | 0.589 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.7 | -29.4 | 173.9 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | I256 I257 K258 | I256-T260 WeakPolarHBondContact O-CB 3.4Å; I256-T260 PolarHBondContact O-N 3.39Å; I256-T260 VanDerWaalsContact O-N 3.1Å; I256-T260 PolarHBondContact O-OG1 2.98Å; I257-T260 PolarHBondContact O-N 3.46Å; K258-T260 VanDerWaalsContact C-N 3.3Å; K258-T260 PolarHBondContact O-N 2.7Å |
| 261 | F | 48.8 | Very low | 56.8 | Low | 169 Ų | 169 | 114.2 Ų | 114.2 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -89.9 | -13.3 | 177.9 | -80.9 | -77.9 | 0 | 0 | 0 | 114.6 | I257 K258 | I257-F261 HydrophobicContact CG2-CD2 3.94Å; I257-F261 HydrophobicContact CG2-CE2 3.98Å; I257-F261 VanDerWaalsContact O-CD2 3.3Å; I257-F261 WeakPolarHBondContact O-CD2 3.44Å; I257-F261 PolarHBondContact O-N 3.45Å; K258-F261 PolarHBondContact O-N 3.05Å |
| 262 | S | 48.9 | Very low | 55.9 | Low | 80 Ų | 80 | 113.1 Ų | 113.1 | 56% | 0.559 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -96.2 | -7.7 | 179.9 | 65 | 0 | 0 | 0 | 0 | 114.6 | K258 D259 | K258-S262 PolarHBondContact O-N 2.93Å; K258-S262 VanDerWaalsContact O-N 3.13Å; K258-S262 PolarHBondContact O-OG 3.1Å; D259-S262 WeakPolarHBondContact CA-OG 3.37Å; D259-S262 PolarHBondContact O-OG 3.25Å |
| 263 | K | 45.3 | Very low | 55 | Low | 182 Ų | 182 | 118.1 Ų | 118.1 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | trans | -102.5 | 11.3 | -178.2 | -94.9 | -177.9 | 176.5 | 175.6 | 0 | 115.2 | ||||
| 264 | N | 38 | Very low | 54.4 | Low | 219 Ų | 219 | 120 Ų | 120 | 100% | 1.171 | 63% | 0.63 | S | S | * | * | trans | -122.4 | 0 | 167.5 | -78.4 | -19.2 | 0 | 0 | 0 | 110.3 |
Retrieved 264 of 264 residues in 142.2 ms
(Link to these results)