| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.7 | Low | 83.1 | Confident | 207 Ų | 207 | 114.5 Ų | 114.5 | 100% | 1.02 | 64% | 0.641 | S | S | * | * | 0 | -32.1 | 0 | -69.8 | -148.3 | -138.6 | 0 | 0 | 113.9 | G3 W4 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.77Å; M1-W4 PolarHBondContact O-N 3.08Å | |||
| 2 | S | 74.5 | Confident | 83.9 | Confident | 94 Ų | 94 | 115 Ų | 115 | 66% | 0.657 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.3 | -34.8 | -174.7 | -3.9 | 0 | 0 | 0 | 0 | 115.2 | L5 N6 | S2-L5 PolarHBondContact O-N 3.5Å; S2-N6 PolarHBondContact O-N 3.25Å |
| 3 | G | 79.7 | Confident | 84.5 | Confident | 53 Ų | 53 | 111.2 Ų | 111.2 | 55% | 0.546 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.6 | -41.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1 L5 N6 L7 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.77Å; G3-L5 VanDerWaalsContact C-N 3.34Å; G3-L5 PolarHBondContact O-N 3.34Å; G3-N6 PolarHBondContact O-N 3.19Å; G3-L7 PolarHBondContact O-N 3.42Å; G3-L7 VanDerWaalsContact O-N 3.09Å |
| 4 | W | 77.9 | Confident | 85 | Confident | 215 Ų | 215 | 107.5 Ų | 107.5 | 81% | 0.814 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.4 | -36.1 | 178.6 | -68.4 | 85.6 | 0 | 0 | 0 | 112 | M1 L7 A8 | M1-W4 PolarHBondContact O-N 3.08Å; W4-L7 PolarHBondContact O-N 3.37Å; W4-A8 WeakPolarHBondContact O-CB 3.34Å; W4-A8 PolarHBondContact O-N 3.15Å |
| 5 | L | 87.1 | Confident | 85.3 | Confident | 110 Ų | 110 | 103.3 Ų | 103.3 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.9 | -35.6 | 179.4 | -139.6 | 137.3 | 0 | 0 | 0 | 111.9 | S2 G3 K9 | S2-L5 PolarHBondContact O-N 3.5Å; G3-L5 VanDerWaalsContact C-N 3.34Å; G3-L5 PolarHBondContact O-N 3.34Å; L5-K9 PolarHBondContact O-N 3.39Å; L5-K9 VanDerWaalsContact O-N 3.08Å |
| 6 | N | 87.5 | Confident | 85.3 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 59% | 0.594 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.2 | -40.2 | 173.3 | -73.9 | -19.6 | 0 | 0 | 0 | 112.3 | S2 G3 K9 S10 | S2-N6 PolarHBondContact O-N 3.25Å; G3-N6 PolarHBondContact O-N 3.19Å; N6-K9 PolarHBondContact O-N 2.88Å; N6-S10 WeakPolarHBondContact O-CB 3.33Å; N6-S10 PolarHBondContact O-N 3.31Å |
| 7 | L | 88.6 | Confident | 85.4 | Confident | 122 Ų | 122 | 106.3 Ų | 106.3 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63 | -44.8 | 176.2 | -157 | 92.2 | 0 | 0 | 0 | 111 | G3 W4 S10 A11 | G3-L7 PolarHBondContact O-N 3.42Å; G3-L7 VanDerWaalsContact O-N 3.09Å; W4-L7 PolarHBondContact O-N 3.37Å; L7-S10 PolarHBondContact O-N 3.46Å; L7-A11 WeakPolarHBondContact O-CB 3.34Å; L7-A11 PolarHBondContact O-N 3.43Å |
| 8 | A | 88 | Confident | 85.3 | Confident | 61 Ų | 61 | 110.8 Ų | 110.8 | 50% | 0.504 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.1 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W4 S10 A11 L12 | W4-A8 WeakPolarHBondContact O-CB 3.34Å; W4-A8 PolarHBondContact O-N 3.15Å; A8-S10 PolarHBondContact O-N 3.01Å; A8-A11 PolarHBondContact O-N 3.5Å; A8-L12 WeakPolarHBondContact O-CB 3.25Å; A8-L12 PolarHBondContact O-N 3.24Å |
| 9 | K | 91.6 | Very high | 85 | Confident | 145 Ų | 145 | 109.7 Ų | 109.7 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.2 | -41.1 | 174 | -95.5 | -174.2 | 174.2 | -178.8 | 0 | 112.6 | L5 N6 S13 | L5-K9 PolarHBondContact O-N 3.39Å; L5-K9 VanDerWaalsContact O-N 3.08Å; N6-K9 PolarHBondContact O-N 2.88Å; K9-S13 WeakPolarHBondContact O-CB 3.5Å; K9-S13 PolarHBondContact O-N 3.01Å |
| 10 | S | 92 | Very high | 84.9 | Confident | 81 Ų | 81 | 107.4 Ų | 107.4 | 57% | 0.566 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.3 | -44.1 | 178 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | N6 L7 A8 S13 S14 | N6-S10 WeakPolarHBondContact O-CB 3.33Å; N6-S10 PolarHBondContact O-N 3.31Å; L7-S10 PolarHBondContact O-N 3.46Å; A8-S10 PolarHBondContact O-N 3.01Å; S10-S13 PolarHBondContact O-N 3Å; S10-S14 PolarHBondContact O-N 3.1Å |
| 11 | A | 90.5 | Very high | 84.5 | Confident | 61 Ų | 61 | 109.8 Ų | 109.8 | 50% | 0.504 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.4 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L7 A8 S14 A15 | L7-A11 WeakPolarHBondContact O-CB 3.34Å; L7-A11 PolarHBondContact O-N 3.43Å; A8-A11 PolarHBondContact O-N 3.5Å; A11-S14 PolarHBondContact O-N 2.99Å; A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 3.1Å |
| 12 | L | 93.2 | Very high | 85.5 | Confident | 120 Ų | 120 | 105.7 Ų | 105.7 | 63% | 0.628 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.9 | -43.1 | 177.8 | -167.4 | 70 | 0 | 0 | 0 | 111.7 | A8 S14 A15 Q16 | A8-L12 WeakPolarHBondContact O-CB 3.25Å; A8-L12 PolarHBondContact O-N 3.24Å; L12-S14 PolarHBondContact O-N 3.5Å; L12-A15 PolarHBondContact O-N 3.4Å; L12-Q16 WeakPolarHBondContact O-CB 3.35Å; L12-Q16 PolarHBondContact O-N 3.34Å |
| 13 | S | 91.8 | Very high | 85.6 | Confident | 65 Ų | 65 | 106.2 Ų | 106.2 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -37.5 | 176.5 | -176.7 | 0 | 0 | 0 | 0 | 112.5 | K9 S10 K17 | K9-S13 WeakPolarHBondContact O-CB 3.5Å; K9-S13 PolarHBondContact O-N 3.01Å; S10-S13 PolarHBondContact O-N 3Å; S13-K17 PolarHBondContact O-N 2.82Å |
| 14 | S | 90.9 | Very high | 85.2 | Confident | 60 Ų | 60 | 109.3 Ų | 109.3 | 42% | 0.42 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70 | -34.9 | 175 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | S10 A11 L12 R18 | S10-S14 PolarHBondContact O-N 3.1Å; A11-S14 PolarHBondContact O-N 2.99Å; L12-S14 PolarHBondContact O-N 3.5Å; S14-R18 WeakPolarHBondContact O-CG 3.44Å; S14-R18 PolarHBondContact O-N 3.15Å |
| 15 | A | 89 | Confident | 84.5 | Confident | 45 Ų | 45 | 104.4 Ų | 104.4 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.5 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A11 L12 K17 R18 I19 | A11-A15 WeakPolarHBondContact O-CB 3.45Å; A11-A15 PolarHBondContact O-N 3.1Å; L12-A15 PolarHBondContact O-N 3.4Å; A15-K17 PolarHBondContact O-N 3.34Å; A15-R18 PolarHBondContact O-N 3.3Å; A15-R18 VanDerWaalsContact O-N 3.13Å; A15-I19 VanDerWaalsContact O-CG1 3.32Å; A15-I19 WeakPolarHBondContact O-CG1 3.26Å; A15-I19 PolarHBondContact O-N 2.82Å |
| 16 | Q | 86.3 | Confident | 83 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 50% | 0.495 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -55.6 | -50 | 176.1 | -161.2 | 83.2 | 23.3 | 0 | 0 | 111.1 | L12 R18 I19 D20 | L12-Q16 WeakPolarHBondContact O-CB 3.35Å; L12-Q16 PolarHBondContact O-N 3.34Å; Q16-R18 VanDerWaalsContact C-N 3.29Å; Q16-R18 PolarHBondContact O-N 3.44Å; Q16-I19 WeakPolarHBondContact O-CB 3.47Å; Q16-I19 PolarHBondContact O-N 2.79Å; Q16-I19 VanDerWaalsContact O-N 3.07Å; Q16-D20 PolarHBondContact O-N 2.98Å |
| 17 | K | 86.1 | Confident | 81.1 | Confident | 151 Ų | 151 | 109 Ų | 109 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.8 | -35.8 | 177.6 | -80.4 | -175.2 | 175.8 | -175.5 | 0 | 113.8 | S13 A15 H21 | S13-K17 PolarHBondContact O-N 2.82Å; A15-K17 PolarHBondContact O-N 3.34Å; K17-H21 VanDerWaalsContact O-CB 3.3Å; K17-H21 WeakPolarHBondContact O-CB 3.49Å; K17-H21 PolarHBondContact O-N 3.31Å |
| 18 | R | 84.4 | Confident | 78.9 | Confident | 187 Ų | 187 | 112 Ų | 112 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.4 | -38.4 | 176.4 | -76.7 | 177.7 | 179.8 | -116.7 | 1.4 | 111.1 | S14 A15 Q16 V22 | S14-R18 WeakPolarHBondContact O-CG 3.44Å; S14-R18 PolarHBondContact O-N 3.15Å; A15-R18 PolarHBondContact O-N 3.3Å; A15-R18 VanDerWaalsContact O-N 3.13Å; Q16-R18 VanDerWaalsContact C-N 3.29Å; Q16-R18 PolarHBondContact O-N 3.44Å; R18-V22 WeakPolarHBondContact O-CB 3.34Å; R18-V22 WeakPolarHBondContact O-CG2 3.48Å; R18-V22 PolarHBondContact O-N 3.34Å |
| 19 | I | 79.4 | Confident | 76.7 | Confident | 91 Ų | 91 | 116.2 Ų | 116.2 | 47% | 0.467 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.6 | -47.6 | 175.2 | -65.5 | 169.2 | 0 | 0 | 0 | 109.8 | A15 Q16 H21 V22 L23 | A15-I19 VanDerWaalsContact O-CG1 3.32Å; A15-I19 WeakPolarHBondContact O-CG1 3.26Å; A15-I19 PolarHBondContact O-N 2.82Å; Q16-I19 WeakPolarHBondContact O-CB 3.47Å; Q16-I19 PolarHBondContact O-N 2.79Å; Q16-I19 VanDerWaalsContact O-N 3.07Å; I19-H21 VanDerWaalsContact C-N 3.3Å; I19-H21 PolarHBondContact O-N 3.19Å; I19-V22 PolarHBondContact O-N 3.5Å; I19-V22 VanDerWaalsContact O-N 3.14Å; I19-L23 HydrophobicContact CG2-CD1 3.56Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CB 3.47Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.08Å; I19-L23 PolarHBondContact O-N 2.96Å |
| 20 | D | 82.2 | Confident | 74.2 | Confident | 63 Ų | 63 | 118.7 Ų | 118.7 | 34% | 0.337 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.6 | -38 | 179 | -61.9 | -21.9 | 0 | 0 | 0 | 111.8 | Q16 L23 D24 I25 | Q16-D20 PolarHBondContact O-N 2.98Å; D20-L23 PolarHBondContact O-N 3.41Å; D20-D24 PolarHBondContact O-N 2.89Å; D20-I25 PolarHBondContact O-N 3.48Å |
| 21 | H | 77 | Confident | 71.4 | Confident | 157 Ų | 157 | 119.3 Ų | 119.3 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.4 | -38.1 | 175.1 | -171.2 | 52.9 | 0 | 0 | 0 | 113 | K17 I19 L23 | K17-H21 VanDerWaalsContact O-CB 3.3Å; K17-H21 WeakPolarHBondContact O-CB 3.49Å; K17-H21 PolarHBondContact O-N 3.31Å; I19-H21 VanDerWaalsContact C-N 3.3Å; I19-H21 PolarHBondContact O-N 3.19Å; H21-L23 VanDerWaalsContact C-N 3.31Å |
| 22 | V | 78.3 | Confident | 68.7 | Low | 121 Ų | 121 | 123.4 Ų | 123.4 | 73% | 0.733 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.1 | -29.9 | 176.2 | 169 | 0 | 0 | 0 | 0 | 111.5 | R18 I19 | R18-V22 WeakPolarHBondContact O-CB 3.34Å; R18-V22 WeakPolarHBondContact O-CG2 3.48Å; R18-V22 PolarHBondContact O-N 3.34Å; I19-V22 PolarHBondContact O-N 3.5Å; I19-V22 VanDerWaalsContact O-N 3.14Å |
| 23 | L | 75.7 | Confident | 66.1 | Low | 105 Ų | 105 | 125.5 Ų | 125.5 | 55% | 0.55 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | 2.2 | -179.9 | -65.5 | 177.7 | 0 | 0 | 0 | 113.8 | I19 D20 H21 I25 | I19-L23 HydrophobicContact CG2-CD1 3.56Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CB 3.47Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.08Å; I19-L23 PolarHBondContact O-N 2.96Å; D20-L23 PolarHBondContact O-N 3.41Å; H21-L23 VanDerWaalsContact C-N 3.31Å; L23-I25 HydrophobicContact CB-CD1 3.79Å; L23-I25 HydrophobicContact CB-CG1 3.72Å; L23-I25 HydrophobicContact CD1-CD1 4.11Å; L23-I25 WeakPolarHBondContact O-CG1 3.33Å; L23-I25 PolarHBondContact O-N 2.81Å |
| 24 | D | 72.2 | Confident | 63.4 | Low | 119 Ų | 119 | 126.4 Ų | 126.4 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.5 | 32.6 | 179 | -140.1 | 6.5 | 0 | 0 | 0 | 113.3 | D20 R26 | D20-D24 PolarHBondContact O-N 2.89Å; D24-R26 VanDerWaalsContact C-N 3.34Å; D24-R26 PolarHBondContact O-N 2.63Å |
| 25 | I | 63.4 | Low | 60.7 | Low | 111 Ų | 111 | 131 Ų | 131 | 57% | 0.569 | 68% | 0.677 | S | S | * | * | trans | -80.4 | 86 | 179.7 | -54.1 | 176.2 | 0 | 0 | 0 | 107.1 | D20 L23 S27 | D20-I25 PolarHBondContact O-N 3.48Å; L23-I25 HydrophobicContact CB-CD1 3.79Å; L23-I25 HydrophobicContact CB-CG1 3.72Å; L23-I25 HydrophobicContact CD1-CD1 4.11Å; L23-I25 WeakPolarHBondContact O-CG1 3.33Å; L23-I25 PolarHBondContact O-N 2.81Å; I25-S27 PolarHBondContact O-N 2.98Å | ||
| 26 | R | 54.9 | Low | 58.2 | Low | 213 Ų | 213 | 137.6 Ų | 137.6 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | -72.9 | 113.8 | 168.6 | -68 | -171.9 | -175.9 | -138.3 | 2.3 | 108.6 | D24 E28 | D24-R26 VanDerWaalsContact C-N 3.34Å; D24-R26 PolarHBondContact O-N 2.63Å; R26-E28 PolarHBondContact O-N 2.83Å | ||
| 27 | S | 48.1 | Very low | 55.5 | Low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -60.2 | 124.8 | 168.9 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | I25 D29 | I25-S27 PolarHBondContact O-N 2.98Å; S27-D29 PolarHBondContact O-N 2.88Å | ||
| 28 | E | 42.2 | Very low | 53.2 | Low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -69.3 | 15.4 | -171.1 | -67.1 | -177 | 143 | 0 | 0 | 115.9 | R26 | R26-E28 PolarHBondContact O-N 2.83Š|
| 29 | D | 42.1 | Very low | 50.7 | Low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | -115.1 | 26.2 | -167.2 | -71.2 | -31.1 | 0 | 0 | 0 | 115.6 | S27 | S27-D29 PolarHBondContact O-N 2.88Š| ||
| 30 | E | 38 | Very low | 48.6 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | trans | -128 | 67.7 | 163 | -71.5 | -170.5 | 177.6 | 0 | 0 | 109.9 | ||||
| 31 | S | 32.8 | Very low | 46.3 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | -89.7 | 147.4 | 150.1 | 49.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 32 | D | 35.5 | Very low | 44.4 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | 84.4 | 84 | 177.4 | -50.4 | -24.9 | 0 | 0 | 0 | 115.4 | ||||
| 33 | D | 37.2 | Very low | 42.1 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | -160.9 | 118.8 | 120.1 | -97.5 | -34.6 | 0 | 0 | 0 | 114.1 | |||||
| 34 | A | 36.6 | Very low | 40.4 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | 68.8 | 81.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | K36 | A34-K36 PolarHBondContact O-N 3.23Å; A34-K36 VanDerWaalsContact O-N 3.16Å | ||
| 35 | D | 34.1 | Very low | 38.4 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -36.3 | 105.1 | 139.1 | -151.6 | 2.6 | 0 | 0 | 0 | 112.4 | ||||
| 36 | K | 36.1 | Very low | 37 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -130.4 | 80.2 | 164.8 | -87.3 | -164.6 | 179 | -179.8 | 0 | 109.9 | A34 V38 | A34-K36 PolarHBondContact O-N 3.23Å; A34-K36 VanDerWaalsContact O-N 3.16Å; K36-V38 PolarHBondContact O-N 3.46Å; K36-V38 VanDerWaalsContact O-N 3.1Å | ||
| 37 | C | 30.4 | Very low | 36.1 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -64.3 | 97.9 | 154.7 | -90.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 38 | V | 36.6 | Very low | 35.5 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 65% | 0.648 | 80% | 0.797 | S | S | * | * | trans | -109.5 | 113.7 | 159.6 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | K36 D40 | K36-V38 PolarHBondContact O-N 3.46Å; K36-V38 VanDerWaalsContact O-N 3.1Å; V38-D40 PolarHBondContact O-N 3.44Å | ||
| 39 | V | 32.4 | Very low | 35.1 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -71.9 | 104 | 173.1 | 174.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 40 | D | 35.6 | Very low | 34.8 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -114.6 | 89.9 | 163.7 | -87 | -34 | 0 | 0 | 0 | 109.6 | V38 N42 | V38-D40 PolarHBondContact O-N 3.44Å; D40-N42 PolarHBondContact O-N 2.85Å | ||
| 41 | T | 33 | Very low | 34.5 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | trans | -64.9 | 108.4 | 154.5 | 41.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 42 | N | 37.1 | Very low | 34.3 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -162.5 | 93.8 | 150.9 | -96 | -31.4 | 0 | 0 | 0 | 109.7 | D40 P44 | D40-N42 PolarHBondContact O-N 2.85Å; N42-P44 VanDerWaalsContact O-CD 3.31Å; N42-P44 WeakPolarHBondContact O-CD 3.45Å | ||
| 43 | F | 30.6 | Very low | 34.6 | Very low | 210 Ų | 210 | 132.5 Ų | 132.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -73.7 | 116.7 | 161.6 | -96.2 | -95.4 | 0 | 0 | 0 | 108.8 | ||||
| 44 | P | 39.9 | Very low | 34.3 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -85.1 | 114.8 | 161 | 9.6 | 10.1 | 0 | 0 | 0 | 108 | N42 | N42-P44 VanDerWaalsContact O-CD 3.31Å; N42-P44 WeakPolarHBondContact O-CD 3.45Å | ||
| 45 | Q | 29.4 | Very low | 34.4 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -52.8 | 132 | 157.5 | -67.5 | 170.6 | -40 | 0 | 0 | 109.5 | ||||
| 46 | S | 34.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -161.7 | 141.8 | 136.3 | -82 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 47 | P | 36.3 | Very low | 34.7 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | trans | -102.4 | 134.6 | -161.1 | 35.2 | -23.2 | 0 | 0 | 0 | 111.5 | ||||
| 48 | C | 34.2 | Very low | 34.8 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 92% | 0.919 | 80% | 0.796 | S | S | * | * | trans | -114.6 | 91.4 | 160 | -75.6 | 0 | 0 | 0 | 0 | 109 | S50 | C48-S50 PolarHBondContact O-N 3.4Š| ||
| 49 | S | 33.4 | Very low | 34.6 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -63.4 | 113.1 | 164.1 | -26.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 50 | S | 37.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -128.8 | 95.2 | 155.4 | 60.8 | 0 | 0 | 0 | 0 | 108 | C48 | C48-S50 PolarHBondContact O-N 3.4Š| ||
| 51 | S | 31.4 | Very low | 35 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -67.9 | 129.2 | 172.5 | 46.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 52 | A | 28.4 | Very low | 35.4 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | 60.4 | 161.1 | 135.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 53 | P | 41.3 | Very low | 35.3 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | cis | -131.7 | 160.7 | 4.8 | 30 | -8.1 | 0 | 0 | 0 | 116.3 | ||||
| 54 | S | 31.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -56.7 | 142.1 | 164.9 | -42.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 55 | A | 38.7 | Very low | 35.6 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -131.9 | 80.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 56 | D | 34.7 | Very low | 35.8 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | -78.6 | 113.3 | 170.1 | -108 | -25.6 | 0 | 0 | 0 | 108.4 | S58 | D56-S58 PolarHBondContact O-N 2.98Š| ||
| 57 | V | 40.3 | Very low | 35.9 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -88.7 | 102.1 | 171.9 | 174.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 58 | S | 34.1 | Very low | 35.7 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -92.7 | 128 | 167 | -65.5 | 0 | 0 | 0 | 0 | 109.8 | D56 | D56-S58 PolarHBondContact O-N 2.98Š| ||
| 59 | G | 32.4 | Very low | 35.8 | Very low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 169.2 | 144.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 60 | P | 43.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | -119.2 | 166.6 | -114.8 | 38.5 | -30.1 | 0 | 0 | 0 | 116.3 | |||||
| 61 | D | 32.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 10.6 | 111 | 150.8 | -72.1 | -34.4 | 0 | 0 | 0 | 118.2 | ||||
| 62 | L | 40.8 | Very low | 35.8 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | trans | -122.4 | 115.6 | 155.2 | -79.2 | 171.5 | 0 | 0 | 0 | 110 | ||||
| 63 | Q | 34.6 | Very low | 36 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 137.7 | 179.6 | -119.4 | 114.1 | -15.3 | 0 | 0 | 114.3 | P65 | Q63-P65 WeakPolarHBondContact O-CD 3.24Š|
| 64 | L | 35.2 | Very low | 35.8 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.8 | 161.1 | -81.7 | 88.4 | 0 | 0 | 0 | 111.9 | ||
| 65 | P | 41.2 | Very low | 35.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 116.7 | 157.4 | -1.6 | 22.4 | 0 | 0 | 0 | 110.3 | Q63 H67 | Q63-P65 WeakPolarHBondContact O-CD 3.24Å; P65-H67 PolarHBondContact O-N 3.46Å |
| 66 | I | 35.2 | Very low | 35.8 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 74% | 0.738 | 82% | 0.823 | S | S | * | * | trans | -70.7 | 111.7 | 170.3 | -66.3 | 169.1 | 0 | 0 | 0 | 108.2 | L68 | I66-L68 HydrophobicContact CG2-CD1 3.51Š| ||
| 67 | H | 36.8 | Very low | 35.8 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -89.4 | 100.9 | 169 | -110.2 | -81.9 | 0 | 0 | 0 | 109.2 | P65 | P65-H67 PolarHBondContact O-N 3.46Š| ||
| 68 | L | 31.3 | Very low | 35.3 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 74% | 0.738 | 83% | 0.825 | S | S | * | * | trans | -117.7 | 113.5 | 159.6 | -98.7 | 95.3 | 0 | 0 | 0 | 108 | I66 | I66-L68 HydrophobicContact CG2-CD1 3.51Š| ||
| 69 | L | 35.9 | Very low | 35.4 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -150.9 | 115.4 | 157.6 | -100.5 | 121.3 | 0 | 0 | 0 | 109.7 | ||||
| 70 | P | 33.7 | Very low | 35.5 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -103.4 | 150.2 | 170.8 | 34.7 | -24.8 | 0 | 0 | 0 | 112.1 | ||||
| 71 | G | 32.1 | Very low | 35.4 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 90 | 99 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 72 | A | 36.6 | Very low | 35.4 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -152.9 | 84.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 73 | E | 34.1 | Very low | 35.2 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -75.5 | 119.2 | 165.9 | -65.9 | 177.1 | 159.3 | 0 | 0 | 108.4 | ||||
| 74 | S | 37.3 | Very low | 35.2 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -123.9 | 98.4 | 165.6 | 65.2 | 0 | 0 | 0 | 0 | 109.6 | G76 | S74-G76 PolarHBondContact O-N 3.46Š| ||
| 75 | A | 33.9 | Very low | 35.3 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 93% | 0.934 | 81% | 0.806 | S | S | * | * | trans | -74.3 | 109.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 76 | G | 36.1 | Very low | 34.9 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -124.6 | 110.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S74 | S74-G76 PolarHBondContact O-N 3.46Š| ||
| 77 | S | 34.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -58.2 | 135.3 | -171.3 | 54.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 78 | F | 30.2 | Very low | 35.3 | Very low | 201 Ų | 201 | 126.8 Ų | 126.8 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -69.7 | 115 | 170.5 | -153.1 | -101.5 | 0 | 0 | 0 | 110.3 | V80 | F78-V80 HydrophobicContact CD1-CG2 4.43Š| ||
| 79 | A | 35.2 | Very low | 35.8 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -106.7 | 119.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 80 | V | 34 | Very low | 35.7 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | trans | -75.5 | 127.7 | -178.8 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | F78 | F78-V80 HydrophobicContact CD1-CG2 4.43Š| ||
| 81 | P | 41.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -93.7 | 110.1 | 167.2 | 14 | 3.8 | 0 | 0 | 0 | 110.5 | ||||
| 82 | T | 33.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -78.7 | 110.4 | 168.5 | -36.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 83 | Q | 36.5 | Very low | 35.6 | Very low | 187 Ų | 187 | 127 Ų | 127 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -141.5 | 95.8 | 161 | -74.7 | -166.1 | 26.2 | 0 | 0 | 109.8 | ||||
| 84 | V | 35.3 | Very low | 35.7 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -101.2 | 106 | 164.4 | 176.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 85 | A | 36.6 | Very low | 35.5 | Very low | 91 Ų | 91 | 128.3 Ų | 128.3 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -119.9 | 100.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P87 | A85-P87 WeakPolarHBondContact O-CD 3.43Š| ||
| 86 | N | 32.4 | Very low | 35.5 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -87.5 | 117 | 167 | -88.4 | -17 | 0 | 0 | 0 | 108.7 | ||||
| 87 | P | 47.7 | Very low | 35.6 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | trans | -95.4 | 106.4 | 158.3 | 31.5 | -20.1 | 0 | 0 | 0 | 108.6 | A85 V89 | A85-P87 WeakPolarHBondContact O-CD 3.43Å; P87-V89 PolarHBondContact O-N 3.46Å | ||
| 88 | V | 33.5 | Very low | 35.7 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -67 | 110.5 | 165.5 | 172 | 0 | 0 | 0 | 0 | 107.5 | L90 | V88-L90 HydrophobicContact CG1-CD1 3.78Š| ||
| 89 | V | 40.4 | Very low | 36.1 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -104.3 | 107.4 | 168 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | P87 C91 | P87-V89 PolarHBondContact O-N 3.46Å; V89-C91 PolarHBondContact O-N 2.95Å | ||
| 90 | L | 33.8 | Very low | 36.3 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119.6 | 171.6 | -97.6 | 70.8 | 0 | 0 | 0 | 109.7 | V88 | V88-L90 HydrophobicContact CG1-CD1 3.78Š|
| 91 | C | 32.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80 | 129.6 | 162.1 | -66.9 | 0 | 0 | 0 | 0 | 109.4 | V89 | V89-C91 PolarHBondContact O-N 2.95Š|
| 92 | P | 37.4 | Very low | 36.5 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 120.3 | 172.5 | 30.8 | -27.7 | 0 | 0 | 0 | 109.6 | N94 | P92-N94 PolarHBondContact O-N 3Š|
| 93 | A | 30.9 | Very low | 37.4 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -73.3 | 115.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 94 | N | 36.8 | Very low | 38.1 | Very low | 161 Ų | 161 | 132 Ų | 132 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -136.1 | 120.5 | 159.3 | -100.8 | -4.7 | 0 | 0 | 0 | 108.6 | P92 | P92-N94 PolarHBondContact O-N 3Š| ||
| 95 | E | 31.9 | Very low | 39 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -55.1 | 125.2 | 177.2 | -61.8 | 160.3 | 153.9 | 0 | 0 | 111.6 | ||||
| 96 | L | 35.4 | Very low | 40.3 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -164.6 | 66.8 | 158.3 | -123.9 | 128.3 | 0 | 0 | 0 | 111.2 | ||||
| 97 | E | 36.4 | Very low | 41.8 | Very low | 195 Ų | 195 | 129.2 Ų | 129.2 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -120.6 | 87 | 165.5 | -81.5 | -172.7 | 165.6 | 0 | 0 | 109.3 | ||||
| 98 | N | 38 | Very low | 42.9 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | trans | -150.1 | 77.3 | 157.1 | -95.2 | -27.4 | 0 | 0 | 0 | 105.5 | ||||
| 99 | A | 39.1 | Very low | 44.8 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -128.1 | 98.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 100 | D | 38.6 | Very low | 46.3 | Very low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | trans | -7.5 | 124 | 167.5 | -75.5 | -42.2 | 0 | 0 | 0 | 118.8 | C102 | D100-C102 HydrophobicContact CB-CB 4.47Å; D100-C102 PolarHBondContact O-N 3.19Å | ||
| 101 | A | 38 | Very low | 48.1 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | trans | -63.5 | 76.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 102 | C | 41.6 | Very low | 50.3 | Low | 110 Ų | 110 | 121.5 Ų | 121.5 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -133 | 73.6 | 171.6 | -101.7 | 0 | 0 | 0 | 0 | 109.2 | D100 | D100-C102 HydrophobicContact CB-CB 4.47Å; D100-C102 PolarHBondContact O-N 3.19Å | ||
| 103 | S | 51.8 | Low | 51.9 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -144.2 | -23.3 | 172.3 | -168.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 104 | V | 51.1 | Low | 54 | Low | 118 Ų | 118 | 122.3 Ų | 122.3 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -77.9 | -33 | -178.3 | -177 | 0 | 0 | 0 | 0 | 112.1 | V106 S107 V108 | V104-V106 PolarHBondContact O-N 3.43Å; V104-S107 PolarHBondContact O-N 3.5Å; V104-V108 WeakPolarHBondContact O-CG2 3.47Å; V104-V108 PolarHBondContact O-N 2.88Å |
| 105 | D | 54.2 | Low | 55.3 | Low | 125 Ų | 125 | 119.9 Ų | 119.9 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76 | -27.1 | -173.9 | -147.3 | 25.8 | 0 | 0 | 0 | 113.5 | R109 | D105-R109 WeakPolarHBondContact O-CB 3.19Å; D105-R109 PolarHBondContact O-N 3.41Å; D105-R109 VanDerWaalsContact O-N 3.1Å |
| 106 | V | 64.2 | Low | 57 | Low | 108 Ų | 108 | 115 Ų | 115 | 66% | 0.655 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72 | -36.6 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | V104 R109 A110 | V104-V106 PolarHBondContact O-N 3.43Å; V106-R109 PolarHBondContact O-N 2.94Å; V106-A110 VanDerWaalsContact O-CB 3.32Å; V106-A110 WeakPolarHBondContact O-CB 3.49Å; V106-A110 PolarHBondContact O-N 3.49Å |
| 107 | S | 63.7 | Low | 58.1 | Low | 72 Ų | 72 | 111 Ų | 111 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70.5 | -39.3 | 179.8 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | V104 C111 | V104-S107 PolarHBondContact O-N 3.5Å; S107-C111 PolarHBondContact O-N 3.37Å; S107-C111 PolarHBondContact O-SG 3.49Å; S107-C111 VanDerWaalsContact O-SG 3.38Å |
| 108 | V | 71.7 | Confident | 59.1 | Low | 81 Ų | 81 | 111.1 Ų | 111.1 | 49% | 0.491 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.2 | -42.7 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | V104 A110 C111 V112 | V104-V108 WeakPolarHBondContact O-CG2 3.47Å; V104-V108 PolarHBondContact O-N 2.88Å; V108-A110 PolarHBondContact O-N 2.91Å; V108-C111 PolarHBondContact O-N 2.94Å; V108-V112 WeakPolarHBondContact O-CG2 3.45Å; V108-V112 PolarHBondContact O-N 3.19Å |
| 109 | R | 72.5 | Confident | 59.6 | Low | 171 Ų | 171 | 109 Ų | 109 | 65% | 0.645 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.3 | -38.4 | 178.4 | -155.1 | 166.5 | -161.8 | 151.9 | 3.5 | 112.6 | D105 V106 C111 V112 D113 | D105-R109 WeakPolarHBondContact O-CB 3.19Å; D105-R109 PolarHBondContact O-N 3.41Å; D105-R109 VanDerWaalsContact O-N 3.1Å; V106-R109 PolarHBondContact O-N 2.94Å; R109-C111 VanDerWaalsContact C-N 3.35Å; R109-C111 PolarHBondContact O-N 2.91Å; R109-V112 PolarHBondContact O-N 3.36Å; R109-D113 WeakPolarHBondContact O-CB 3.3Å; R109-D113 PolarHBondContact O-N 2.89Å |
| 110 | A | 72 | Confident | 59.7 | Low | 57 Ų | 57 | 108.6 Ų | 108.6 | 47% | 0.471 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64 | -38.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | V106 V108 F114 | V106-A110 VanDerWaalsContact O-CB 3.32Å; V106-A110 WeakPolarHBondContact O-CB 3.49Å; V106-A110 PolarHBondContact O-N 3.49Å; V108-A110 PolarHBondContact O-N 2.91Å; A110-F114 WeakPolarHBondContact O-CB 3.4Å; A110-F114 PolarHBondContact O-N 3.45Å |
| 111 | C | 72 | Confident | 59.6 | Low | 78 Ų | 78 | 103.9 Ų | 103.9 | 53% | 0.527 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.1 | -39.8 | 174.2 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | S107 V108 R109 F114 L115 | S107-C111 PolarHBondContact O-N 3.37Å; S107-C111 PolarHBondContact O-SG 3.49Å; S107-C111 VanDerWaalsContact O-SG 3.38Å; V108-C111 PolarHBondContact O-N 2.94Å; R109-C111 VanDerWaalsContact C-N 3.35Å; R109-C111 PolarHBondContact O-N 2.91Å; C111-F114 PolarHBondContact O-N 2.89Å; C111-L115 WeakPolarHBondContact O-CB 3.37Å; C111-L115 VanDerWaalsContact O-CG 3.28Å; C111-L115 WeakPolarHBondContact O-CG 3.46Å; C111-L115 PolarHBondContact O-N 3.22Å |
| 112 | V | 78.1 | Confident | 59.7 | Low | 77 Ų | 77 | 106 Ų | 106 | 47% | 0.467 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.3 | -45.1 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | V108 R109 F114 L115 V116 | V108-V112 WeakPolarHBondContact O-CG2 3.45Å; V108-V112 PolarHBondContact O-N 3.19Å; R109-V112 PolarHBondContact O-N 3.36Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.87Å; V112-L115 PolarHBondContact O-N 3.39Å; V112-V116 HydrophobicContact CG1-CG2 4.33Å; V112-V116 WeakPolarHBondContact O-CB 3.44Å; V112-V116 VanDerWaalsContact O-CG2 3.29Å; V112-V116 WeakPolarHBondContact O-CG2 3.18Å; V112-V116 PolarHBondContact O-N 3.3Å |
| 113 | D | 71.7 | Confident | 59.7 | Low | 94 Ų | 94 | 109.1 Ų | 109.1 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.6 | -33.9 | 177.8 | -71.6 | -19.2 | 0 | 0 | 0 | 112 | R109 S117 | R109-D113 WeakPolarHBondContact O-CB 3.3Å; R109-D113 PolarHBondContact O-N 2.89Å; D113-S117 VanDerWaalsContact O-CB 3.27Å; D113-S117 WeakPolarHBondContact O-CB 3.25Å; D113-S117 PolarHBondContact O-N 3.37Å; D113-S117 PolarHBondContact O-OG 2.95Å |
| 114 | F | 75.6 | Confident | 59 | Low | 142 Ų | 142 | 112.6 Ų | 112.6 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.5 | -43.2 | 172.7 | -177.7 | -98.6 | 0 | 0 | 0 | 112 | A110 C111 V112 S117 R118 | A110-F114 WeakPolarHBondContact O-CB 3.4Å; A110-F114 PolarHBondContact O-N 3.45Å; C111-F114 PolarHBondContact O-N 2.89Å; V112-F114 VanDerWaalsContact C-N 3.31Å; V112-F114 PolarHBondContact O-N 2.87Å; F114-S117 PolarHBondContact O-N 2.9Å; F114-R118 WeakPolarHBondContact O-CB 3.3Å; F114-R118 PolarHBondContact O-N 3.47Å |
| 115 | L | 63.6 | Low | 58.3 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 58% | 0.581 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.5 | -39.1 | 177.8 | -71.9 | 174.1 | 0 | 0 | 0 | 112.1 | C111 V112 R118 V119 | C111-L115 WeakPolarHBondContact O-CB 3.37Å; C111-L115 VanDerWaalsContact O-CG 3.28Å; C111-L115 WeakPolarHBondContact O-CG 3.46Å; C111-L115 PolarHBondContact O-N 3.22Å; V112-L115 PolarHBondContact O-N 3.39Å; L115-R118 PolarHBondContact O-N 3.43Å; L115-V119 WeakPolarHBondContact O-CG2 3.46Å; L115-V119 PolarHBondContact O-N 3.18Å; L115-V119 VanDerWaalsContact O-N 3.16Å |
| 116 | V | 66.8 | Low | 57.4 | Low | 84 Ų | 84 | 115.5 Ų | 115.5 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.9 | -38.3 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | V112 R118 V119 S120 | V112-V116 HydrophobicContact CG1-CG2 4.33Å; V112-V116 WeakPolarHBondContact O-CB 3.44Å; V112-V116 VanDerWaalsContact O-CG2 3.29Å; V112-V116 WeakPolarHBondContact O-CG2 3.18Å; V112-V116 PolarHBondContact O-N 3.3Å; V116-R118 VanDerWaalsContact C-N 3.34Å; V116-R118 PolarHBondContact O-N 2.84Å; V116-V119 PolarHBondContact O-N 2.87Å; V116-S120 PolarHBondContact O-N 3.18Å; V116-S120 PolarHBondContact O-OG 2.84Å |
| 117 | S | 60.3 | Low | 56.1 | Low | 88 Ų | 88 | 115.6 Ų | 115.6 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70 | -29 | 176 | -60 | 0 | 0 | 0 | 0 | 112.8 | D113 F114 | D113-S117 VanDerWaalsContact O-CB 3.27Å; D113-S117 WeakPolarHBondContact O-CB 3.25Å; D113-S117 PolarHBondContact O-N 3.37Å; D113-S117 PolarHBondContact O-OG 2.95Å; F114-S117 PolarHBondContact O-N 2.9Å |
| 118 | R | 55.6 | Low | 54.7 | Low | 198 Ų | 198 | 115.9 Ų | 115.9 | 75% | 0.747 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.7 | -23.2 | 177.6 | -160.2 | 66.1 | 173.3 | 145.5 | 0.6 | 113.3 | F114 L115 V116 | F114-R118 WeakPolarHBondContact O-CB 3.3Å; F114-R118 PolarHBondContact O-N 3.47Å; L115-R118 PolarHBondContact O-N 3.43Å; V116-R118 VanDerWaalsContact C-N 3.34Å; V116-R118 PolarHBondContact O-N 2.84Å |
| 119 | V | 49.3 | Very low | 52.8 | Low | 125 Ų | 125 | 120.1 Ų | 120.1 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -89.5 | -13.1 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 112 | L115 V116 | L115-V119 WeakPolarHBondContact O-CG2 3.46Å; L115-V119 PolarHBondContact O-N 3.18Å; L115-V119 VanDerWaalsContact O-N 3.16Å; V116-V119 PolarHBondContact O-N 2.87Å |
| 120 | S | 42.1 | Very low | 51 | Low | 93 Ų | 93 | 119.9 Ų | 119.9 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -121.5 | 65.5 | -179.1 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | V116 | V116-S120 PolarHBondContact O-N 3.18Å; V116-S120 PolarHBondContact O-OG 2.84Å |
| 121 | G | 35.5 | Very low | 49.2 | Very low | 53 Ų | 53 | 128.9 Ų | 128.9 | 55% | 0.546 | 72% | 0.724 | S | S | . | * | trans | -163.2 | 132.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 122 | D | 41.2 | Very low | 47.4 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | 85.5 | 62.1 | 174.4 | -50.9 | -19 | 0 | 0 | 0 | 116.3 | ||||
| 123 | L | 39.8 | Very low | 45.5 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -121.9 | 107.2 | 145.8 | -77.1 | 173.3 | 0 | 0 | 0 | 108.9 | E125 | L123-E125 PolarHBondContact O-N 3.48Š| ||
| 124 | D | 38.1 | Very low | 43.6 | Very low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -46.7 | 120.3 | -178 | -76.1 | -50 | 0 | 0 | 0 | 114.1 | S126 | D124-S126 PolarHBondContact O-N 3.3Š| ||
| 125 | E | 35.9 | Very low | 41.8 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -80.8 | 96.2 | 158.6 | -74.4 | -170 | 148.1 | 0 | 0 | 109.3 | L123 | L123-E125 PolarHBondContact O-N 3.48Š| ||
| 126 | S | 36.9 | Very low | 40.4 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -179.3 | 82.7 | 151.4 | 36.5 | 0 | 0 | 0 | 0 | 113.1 | D124 | D124-S126 PolarHBondContact O-N 3.3Š| ||
| 127 | A | 36.4 | Very low | 39 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 167.1 | 119.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 128 | G | 34 | Very low | 38 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 147.1 | 54.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 129 | L | 32.2 | Very low | 36.9 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -51 | 145 | 149.3 | -89.5 | 137.3 | 0 | 0 | 0 | 109.3 | ||||
| 130 | L | 34.8 | Very low | 36.4 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 100.4 | 70.3 | 170.3 | -50.3 | 178.6 | 0 | 0 | 0 | 117.6 | ||||
| 131 | R | 34.6 | Very low | 36.1 | Very low | 246 Ų | 246 | 147.2 Ų | 147.2 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | trans | -159.5 | 99.7 | 134.2 | -155.7 | 175.4 | -76.4 | -129.5 | 2.7 | 107.1 | ||||
| 132 | G | 33.6 | Very low | 36.1 | Very low | 63 Ų | 63 | 147.7 Ų | 147.7 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | 90.5 | 78.4 | 76.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | F134 | G132-F134 PolarHBondContact O-N 3.32Š| |||
| 133 | N | 37.2 | Very low | 35.8 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -43.4 | 113.2 | 179.5 | -57.6 | 0.7 | 0 | 0 | 0 | 112.1 | ||||
| 134 | F | 32.7 | Very low | 35.8 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -118 | 89.4 | 158 | -143 | -97.7 | 0 | 0 | 0 | 108.5 | G132 H136 | G132-F134 PolarHBondContact O-N 3.32Å; F134-H136 PolarHBondContact O-N 2.73Å; F134-H136 VanDerWaalsContact O-N 3.15Å | ||
| 135 | V | 38.2 | Very low | 35.6 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | trans | -65.4 | 106.8 | 174 | 166.2 | 0 | 0 | 0 | 0 | 107.8 | I137 | V135-I137 HydrophobicContact CG1-CD1 3.71Å; V135-I137 HydrophobicContact CG1-CG1 3.65Å; V135-I137 PolarHBondContact O-N 3.1Å | ||
| 136 | H | 33.2 | Very low | 35.6 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -78.2 | 97.1 | 170.8 | -164.6 | 56.5 | 0 | 0 | 0 | 108.1 | F134 | F134-H136 PolarHBondContact O-N 2.73Å; F134-H136 VanDerWaalsContact O-N 3.15Å | ||
| 137 | I | 38.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -94.7 | 135.1 | 169.2 | -73.5 | 163.9 | 0 | 0 | 0 | 109 | V135 | V135-I137 HydrophobicContact CG1-CD1 3.71Å; V135-I137 HydrophobicContact CG1-CG1 3.65Å; V135-I137 PolarHBondContact O-N 3.1Å | ||
| 138 | P | 37.9 | Very low | 35.6 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -83.1 | 145.7 | -160.7 | -3.2 | 23.6 | 0 | 0 | 0 | 112.3 | N140 | P138-N140 PolarHBondContact O-N 3.2Š| ||
| 139 | R | 34.4 | Very low | 35.8 | Very low | 231 Ų | 231 | 139.4 Ų | 139.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -48.8 | 112.2 | 166.4 | -79.5 | 171.1 | 159.6 | 137 | -6.2 | 111 | ||||
| 140 | N | 37.3 | Very low | 35.8 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -92.1 | 100.6 | 159.8 | -163.2 | 8.2 | 0 | 0 | 0 | 108.6 | P138 G142 | P138-N140 PolarHBondContact O-N 3.2Å; N140-G142 PolarHBondContact O-N 3.28Å | ||
| 141 | N | 36.9 | Very low | 35.7 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -73.1 | 78.6 | 170.7 | -76.4 | -18.9 | 0 | 0 | 0 | 109 | ||||
| 142 | G | 35.6 | Very low | 35.7 | Very low | 63 Ų | 63 | 130.4 Ų | 130.4 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | -95.3 | 91.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N140 A144 | N140-G142 PolarHBondContact O-N 3.28Å; G142-A144 PolarHBondContact O-N 2.88Å | ||
| 143 | A | 34.4 | Very low | 35.8 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -64.3 | 106.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 144 | A | 40.4 | Very low | 35.9 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | -134.8 | 101.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | G142 | G142-A144 PolarHBondContact O-N 2.88Š| ||
| 145 | G | 32.5 | Very low | 35.9 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -61.2 | 144.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | K147 | G145-K147 PolarHBondContact O-N 3.47Š| ||
| 146 | P | 37.2 | Very low | 35.8 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -79.1 | 116 | 173.9 | 32.5 | -28.9 | 0 | 0 | 0 | 107.8 | ||||
| 147 | K | 37.2 | Very low | 35.8 | Very low | 192 Ų | 192 | 125.9 Ų | 125.9 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -121.2 | 105.4 | 166.4 | -76.7 | -170.5 | 177.5 | -178.8 | 0 | 108.8 | G145 | G145-K147 PolarHBondContact O-N 3.47Š| ||
| 148 | S | 35.1 | Very low | 35.7 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | 44.7 | 79.7 | 138.9 | 60.5 | 0 | 0 | 0 | 0 | 115.5 | E150 | S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 PolarHBondContact O-N 3.2Å | ||
| 149 | S | 37.3 | Very low | 35.7 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -77.1 | 91.1 | 145.9 | 57.7 | 0 | 0 | 0 | 0 | 106.8 | C151 | S149-C151 PolarHBondContact O-N 2.88Š| ||
| 150 | E | 32.3 | Very low | 36 | Very low | 165 Ų | 165 | 122.3 Ų | 122.3 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -53.6 | 99.8 | 164.4 | -85 | 163.7 | 134.7 | 0 | 0 | 108.6 | S148 T152 | S148-E150 VanDerWaalsContact C-N 3.25Å; S148-E150 PolarHBondContact O-N 3.2Å; E150-T152 PolarHBondContact O-N 3.48Å; E150-T152 VanDerWaalsContact O-N 3.09Å | ||
| 151 | C | 33 | Very low | 36.1 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -78.1 | 84.2 | 162.5 | -62.9 | 0 | 0 | 0 | 0 | 106.9 | S149 S153 | S149-C151 PolarHBondContact O-N 2.88Å; C151-S153 VanDerWaalsContact C-N 3.31Å; C151-S153 PolarHBondContact O-N 3.38Å | ||
| 152 | T | 34.2 | Very low | 36.1 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -67.1 | 92.2 | 169.3 | -38.6 | 0 | 0 | 0 | 0 | 108 | E150 | E150-T152 PolarHBondContact O-N 3.48Å; E150-T152 VanDerWaalsContact O-N 3.09Å | ||
| 153 | S | 37.3 | Very low | 36.1 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -143.2 | 74.6 | 164 | 29.8 | 0 | 0 | 0 | 0 | 109.9 | C151 | C151-S153 VanDerWaalsContact C-N 3.31Å; C151-S153 PolarHBondContact O-N 3.38Å | ||
| 154 | P | 39.4 | Very low | 36.6 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | -79.5 | 119.7 | 156.4 | 21 | -5 | 0 | 0 | 0 | 107.4 | ||||
| 155 | A | 32.7 | Very low | 36.3 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | 78.4 | 122.4 | 90.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 156 | D | 35 | Very low | 36.4 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 73.3 | 105 | 152.2 | -52.2 | -23.7 | 0 | 0 | 0 | 115.7 | ||||
| 157 | E | 34.6 | Very low | 36.5 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | 67.2 | 130.2 | 84 | -72.7 | -160.1 | 174.6 | 0 | 0 | 112.6 | |||||
| 158 | A | 35.6 | Very low | 36.4 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | 93.1 | 140.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 159 | E | 36.8 | Very low | 36.6 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 82.3 | 59.1 | 156 | -51.6 | -175.6 | -176.9 | 0 | 0 | 118.1 | ||||
| 160 | T | 41 | Very low | 36.3 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -92.4 | 89 | 134.5 | 41.3 | 0 | 0 | 0 | 0 | 109.2 | L162 | T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 2.9Å | ||
| 161 | T | 39.1 | Very low | 36.6 | Very low | 112 Ų | 112 | 127 Ų | 127 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | -47 | 91.8 | 156.9 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | S163 | T161-S163 VanDerWaalsContact C-N 3.28Š| ||
| 162 | L | 37.9 | Very low | 36.5 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -101.6 | 63.8 | 152.9 | -66.8 | -179.5 | 0 | 0 | 0 | 107.7 | T160 | T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 2.9Å | ||
| 163 | S | 35.4 | Very low | 36.4 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -104 | 75.5 | 161.1 | -179.6 | 0 | 0 | 0 | 0 | 106.3 | T161 | T161-S163 VanDerWaalsContact C-N 3.28Š| ||
| 164 | S | 44.3 | Very low | 36.3 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | trans | -131.8 | 103.8 | 162.5 | 64.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 165 | D | 34.8 | Very low | 36.1 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 68.4 | 92.1 | 147.3 | -48.6 | -33.1 | 0 | 0 | 0 | 117.1 | E167 | D165-E167 HydrophobicContact CB-CG 4.23Å; D165-E167 PolarHBondContact O-N 2.88Å | ||
| 166 | I | 33.4 | Very low | 36.3 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -53.7 | 82.9 | 139.9 | -68.8 | 160.8 | 0 | 0 | 0 | 106.9 | M168 | I166-M168 VanDerWaalsContact C-N 3.27Å; I166-M168 HydrophobicContact CG2-CG 4.02Å; I166-M168 PolarHBondContact O-N 3.21Å; I166-M168 VanDerWaalsContact O-N 3.11Å | ||
| 167 | E | 39.7 | Very low | 36.1 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -76.6 | 93.2 | 157.9 | -72.9 | -166.1 | 172.5 | 0 | 0 | 106.7 | D165 V169 | D165-E167 HydrophobicContact CB-CG 4.23Å; D165-E167 PolarHBondContact O-N 2.88Å; E167-V169 PolarHBondContact O-N 3.37Å | ||
| 168 | M | 35.7 | Very low | 36.2 | Very low | 164 Ų | 164 | 126 Ų | 126 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -49.6 | 89.9 | 152.4 | -72.7 | -84.1 | -67.9 | 0 | 0 | 107.7 | I166 G170 | I166-M168 VanDerWaalsContact C-N 3.27Å; I166-M168 HydrophobicContact CG2-CG 4.02Å; I166-M168 PolarHBondContact O-N 3.21Å; I166-M168 VanDerWaalsContact O-N 3.11Å; M168-G170 PolarHBondContact O-N 2.96Å | ||
| 169 | V | 38.8 | Very low | 35.9 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -67.1 | 88.3 | 156.8 | 177.9 | 0 | 0 | 0 | 0 | 104.8 | E167 T171 | E167-V169 PolarHBondContact O-N 3.37Å; V169-T171 PolarHBondContact O-N 3.24Å | ||
| 170 | G | 31.7 | Very low | 35.7 | Very low | 46 Ų | 46 | 132.9 Ų | 132.9 | 47% | 0.474 | 76% | 0.762 | S | S | . | * | trans | -49.2 | 133.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | M168 S172 | M168-G170 PolarHBondContact O-N 2.96Å; G170-S172 PolarHBondContact O-N 3.39Å | ||
| 171 | T | 38.4 | Very low | 35.4 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -53.7 | 82.5 | 156.5 | 50.3 | 0 | 0 | 0 | 0 | 107.9 | V169 L173 | V169-T171 PolarHBondContact O-N 3.24Å; T171-L173 PolarHBondContact O-N 2.98Å | ||
| 172 | S | 31.2 | Very low | 35.3 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -77.6 | 111.3 | 173.3 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | G170 | G170-S172 PolarHBondContact O-N 3.39Š| ||
| 173 | L | 32 | Very low | 35 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 67% | 0.665 | 75% | 0.751 | S | S | * | * | trans | 48.3 | 117.6 | 134.2 | -78.2 | 81 | 0 | 0 | 0 | 117.5 | T171 | T171-L173 PolarHBondContact O-N 2.98Š| ||
| 174 | D | 34 | Very low | 34.9 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | 61.7 | 90.3 | 125.5 | -50.4 | -29.4 | 0 | 0 | 0 | 116 | |||||
| 175 | D | 36.7 | Very low | 34.4 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -134.8 | 122.7 | 148.6 | -138.6 | -10.4 | 0 | 0 | 0 | 111.1 | ||||
| 176 | N | 35.3 | Very low | 34.4 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | 70.9 | 69.2 | 171.7 | -67.8 | -46.7 | 0 | 0 | 0 | 119 | S178 | N176-S178 VanDerWaalsContact C-N 3.34Å; N176-S178 PolarHBondContact O-N 2.83Å | ||
| 177 | G | 30.7 | Very low | 34.3 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | -61.1 | 101.4 | 120.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 178 | S | 37.4 | Very low | 33.9 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | trans | -108.3 | 95 | 157 | 60.9 | 0 | 0 | 0 | 0 | 108.3 | N176 R180 | N176-S178 VanDerWaalsContact C-N 3.34Å; N176-S178 PolarHBondContact O-N 2.83Å; S178-R180 PolarHBondContact O-N 3.48Å | ||
| 179 | D | 29.6 | Very low | 33.6 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | trans | -40.1 | 103.6 | 153.1 | -82.3 | -45.2 | 0 | 0 | 0 | 110 | ||||
| 180 | R | 32.9 | Very low | 33.1 | Very low | 233 Ų | 233 | 125.9 Ų | 125.9 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | trans | -120.6 | 96.2 | 155.2 | -80 | -169.9 | 172.6 | -168.1 | -0.2 | 108.8 | S178 | S178-R180 PolarHBondContact O-N 3.48Š| ||
| 181 | S | 35.2 | Very low | 33.2 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | 79.9 | 103.9 | 127.9 | -161 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 182 | S | 36.4 | Very low | 32.9 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | 81.5 | 83 | 128.4 | -49.1 | 0 | 0 | 0 | 0 | 116.5 | A184 | S182-A184 PolarHBondContact O-N 3.5Š| |||
| 183 | D | 30.9 | Very low | 33.5 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | -42.8 | 81.2 | 121.9 | -87.3 | -39.2 | 0 | 0 | 0 | 110.8 | R185 | D183-R185 PolarHBondContact O-N 3.5Å; D183-R185 VanDerWaalsContact O-N 3.15Å | |||
| 184 | A | 33.5 | Very low | 33.7 | Very low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -81.5 | 75.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S182 N186 | S182-A184 PolarHBondContact O-N 3.5Å; A184-N186 PolarHBondContact O-N 2.89Å | ||
| 185 | R | 33 | Very low | 34.3 | Very low | 216 Ų | 216 | 130.6 Ų | 130.6 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | trans | -66.9 | 87.2 | 153.9 | -75.6 | 179.2 | 166.9 | 143.6 | -2.5 | 107.9 | D183 | D183-R185 PolarHBondContact O-N 3.5Å; D183-R185 VanDerWaalsContact O-N 3.15Å | ||
| 186 | N | 35.3 | Very low | 34.9 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | trans | -110.9 | 87.6 | 156.8 | -168.9 | 33.2 | 0 | 0 | 0 | 105.6 | A184 N188 | A184-N186 PolarHBondContact O-N 2.89Å; N186-N188 VanDerWaalsContact C-N 3.29Å; N186-N188 PolarHBondContact O-N 2.84Å | ||
| 187 | A | 31.1 | Very low | 35.7 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | 47.6 | 48.5 | 70.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 188 | N | 31.3 | Very low | 36.8 | Very low | 145 Ų | 145 | 124.2 Ų | 124.2 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | trans | -124.7 | 65.1 | 151.3 | -151.9 | 38.2 | 0 | 0 | 0 | 107 | N186 | N186-N188 VanDerWaalsContact C-N 3.29Å; N186-N188 PolarHBondContact O-N 2.84Å | ||
| 189 | N | 29.7 | Very low | 37.5 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 86% | 0.856 | 69% | 0.693 | S | S | * | * | -16.6 | 113.7 | 98.3 | -75.8 | -3 | 0 | 0 | 0 | 114.5 | |||||
| 190 | G | 29.6 | Very low | 39 | Very low | 58 Ų | 58 | 120.2 Ų | 120.2 | 60% | 0.598 | 68% | 0.679 | S | S | * | * | trans | 173.8 | 41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F192 | G190-F192 PolarHBondContact O-N 3.24Å; G190-F192 VanDerWaalsContact O-N 3.1Å | ||
| 191 | D | 33.5 | Very low | 40.1 | Very low | 139 Ų | 139 | 111.6 Ų | 111.6 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | 48.8 | 55.9 | 126.6 | -143 | 4.8 | 0 | 0 | 0 | 117.9 | N193 | D191-N193 PolarHBondContact O-N 3.02Š| |||
| 192 | F | 32 | Very low | 41.2 | Very low | 159 Ų | 159 | 110.8 Ų | 110.8 | 70% | 0.697 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 38.5 | 157.8 | -155.9 | -97.8 | 0 | 0 | 0 | 111.3 | G190 R195 | G190-F192 PolarHBondContact O-N 3.24Å; G190-F192 VanDerWaalsContact O-N 3.1Å; F192-R195 HydrophobicContact CE2-CG 4.4Å |
| 193 | N | 43.2 | Very low | 42.3 | Very low | 132 Ų | 132 | 114.5 Ų | 114.5 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 0.3 | 157.2 | -85.3 | -0.9 | 0 | 0 | 0 | 111.8 | D191 R195 T196 | D191-N193 PolarHBondContact O-N 3.02Å; N193-R195 PolarHBondContact O-N 3.42Å; N193-T196 PolarHBondContact O-OG1 3.02Å |
| 194 | G | 37.2 | Very low | 43.5 | Very low | 53 Ų | 53 | 110.5 Ų | 110.5 | 55% | 0.546 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 195 | R | 45.6 | Very low | 44.7 | Very low | 178 Ų | 178 | 111.3 Ų | 111.3 | 67% | 0.672 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -11.9 | 178.8 | -75.7 | -169.2 | 178 | -171.9 | -0.3 | 115.1 | F192 N193 G197 S198 | F192-R195 HydrophobicContact CE2-CG 4.4Å; N193-R195 PolarHBondContact O-N 3.42Å; R195-G197 VanDerWaalsContact C-N 3.25Å; R195-G197 PolarHBondContact O-N 2.92Å; R195-S198 PolarHBondContact O-N 3.45Å; R195-S198 PolarHBondContact O-OG 3.25Å |
| 196 | T | 49.4 | Very low | 45.9 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.1 | -18.9 | 175.5 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | N193 | N193-T196 PolarHBondContact O-OG1 3.02Å |
| 197 | G | 52.4 | Low | 47 | Very low | 51 Ų | 51 | 105.9 Ų | 105.9 | 53% | 0.526 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -78.5 | -30.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | R195 A201 | R195-G197 VanDerWaalsContact C-N 3.25Å; R195-G197 PolarHBondContact O-N 2.92Å; G197-A201 PolarHBondContact O-N 2.81Å |
| 198 | S | 54.5 | Low | 48.4 | Very low | 68 Ų | 68 | 112 Ų | 112 | 48% | 0.476 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.6 | -24.3 | -178.1 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | R195 A201 L202 | R195-S198 PolarHBondContact O-N 3.45Å; R195-S198 PolarHBondContact O-OG 3.25Å; S198-A201 PolarHBondContact O-N 3.41Å; S198-L202 WeakPolarHBondContact O-CB 3.48Å; S198-L202 PolarHBondContact O-N 3.18Å |
| 199 | D | 51.7 | Low | 49.6 | Very low | 74 Ų | 74 | 114.1 Ų | 114.1 | 40% | 0.396 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -84.7 | -24 | -178.9 | -138.9 | 39.7 | 0 | 0 | 0 | 112.6 | R203 | D199-R203 VanDerWaalsContact O-CB 3.3Å; D199-R203 WeakPolarHBondContact O-CB 3.34Å; D199-R203 WeakPolarHBondContact O-CG 3.23Å; D199-R203 PolarHBondContact O-N 2.66Å; D199-R203 IonicContact OD2-NE 3.84Å; D199-R203 IonicContact OD2-NH2 3.73Å |
| 200 | V | 61.3 | Low | 50.6 | Low | 102 Ų | 102 | 113.8 Ų | 113.8 | 62% | 0.618 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.2 | -39.1 | 165.5 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | R203 A204 | V200-R203 PolarHBondContact O-N 3.22Å; V200-A204 WeakPolarHBondContact O-CB 3.32Å; V200-A204 PolarHBondContact O-N 2.93Å |
| 201 | A | 55.8 | Low | 51.6 | Low | 52 Ų | 52 | 117.9 Ų | 117.9 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.4 | -38.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G197 S198 A204 L205 | G197-A201 PolarHBondContact O-N 2.81Å; S198-A201 PolarHBondContact O-N 3.41Å; A201-A204 PolarHBondContact O-N 3.41Å; A201-L205 WeakPolarHBondContact O-CG 3.45Å; A201-L205 PolarHBondContact O-N 3.02Å |
| 202 | L | 57.8 | Low | 52.1 | Low | 87 Ų | 87 | 118.8 Ų | 118.8 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.3 | -39.2 | 175.1 | -162.7 | 76 | 0 | 0 | 0 | 111.8 | S198 A204 L205 L206 | S198-L202 WeakPolarHBondContact O-CB 3.48Å; S198-L202 PolarHBondContact O-N 3.18Å; L202-A204 VanDerWaalsContact C-N 3.35Å; L202-L205 PolarHBondContact O-N 3.46Å; L202-L206 HydrophobicContact CD2-CD1 4.3Å; L202-L206 HydrophobicContact CG-CD1 4.09Å; L202-L206 WeakPolarHBondContact O-CB 3.23Å; L202-L206 WeakPolarHBondContact O-CG 3.41Å; L202-L206 PolarHBondContact O-N 3.15Å |
| 203 | R | 58.9 | Low | 52.7 | Low | 171 Ų | 171 | 118.1 Ų | 118.1 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.8 | -38.6 | 173.3 | -74.7 | 174.1 | -163.1 | -145.2 | 4.5 | 111.9 | D199 V200 L205 L206 Q207 | D199-R203 VanDerWaalsContact O-CB 3.3Å; D199-R203 WeakPolarHBondContact O-CB 3.34Å; D199-R203 WeakPolarHBondContact O-CG 3.23Å; D199-R203 PolarHBondContact O-N 2.66Å; D199-R203 IonicContact OD2-NE 3.84Å; D199-R203 IonicContact OD2-NH2 3.73Å; V200-R203 PolarHBondContact O-N 3.22Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 3.03Å; R203-L206 PolarHBondContact O-N 2.94Å; R203-Q207 VanDerWaalsContact O-CB 3.24Å; R203-Q207 WeakPolarHBondContact O-CB 3.36Å; R203-Q207 PolarHBondContact O-N 3.42Å |
| 204 | A | 57.4 | Low | 52.4 | Low | 61 Ų | 61 | 117.3 Ų | 117.3 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -64.9 | -36.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V200 A201 L202 R208 | V200-A204 WeakPolarHBondContact O-CB 3.32Å; V200-A204 PolarHBondContact O-N 2.93Å; A201-A204 PolarHBondContact O-N 3.41Å; L202-A204 VanDerWaalsContact C-N 3.35Å; A204-R208 WeakPolarHBondContact O-CB 3.32Å; A204-R208 PolarHBondContact O-N 3.12Å |
| 205 | L | 58.5 | Low | 52.7 | Low | 105 Ų | 105 | 118 Ų | 118 | 55% | 0.55 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -73.6 | -36.1 | 176.8 | -78 | 172.3 | 0 | 0 | 0 | 113.6 | A201 L202 R203 R208 R209 | A201-L205 WeakPolarHBondContact O-CG 3.45Å; A201-L205 PolarHBondContact O-N 3.02Å; L202-L205 PolarHBondContact O-N 3.46Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 3.03Å; L205-R208 PolarHBondContact O-N 3.46Å; L205-R209 PolarHBondContact O-N 2.99Å |
| 206 | L | 57.6 | Low | 52.5 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 47% | 0.466 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -76.5 | -37.2 | 177.4 | -74.6 | 170.7 | 0 | 0 | 0 | 111.6 | L202 R203 R208 R209 L210 | L202-L206 HydrophobicContact CD2-CD1 4.3Å; L202-L206 HydrophobicContact CG-CD1 4.09Å; L202-L206 WeakPolarHBondContact O-CB 3.23Å; L202-L206 WeakPolarHBondContact O-CG 3.41Å; L202-L206 PolarHBondContact O-N 3.15Å; R203-L206 PolarHBondContact O-N 2.94Å; L206-R208 PolarHBondContact O-N 3.44Å; L206-R209 PolarHBondContact O-N 3.48Å; L206-L210 PolarHBondContact O-N 2.87Å; L206-L210 VanDerWaalsContact O-N 3.1Å |
| 207 | Q | 59.3 | Low | 52.1 | Low | 151 Ų | 151 | 119.9 Ų | 119.9 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.8 | -31.6 | 172.1 | -166 | 169.9 | 10.5 | 0 | 0 | 111.6 | R203 R209 L210 | R203-Q207 VanDerWaalsContact O-CB 3.24Å; R203-Q207 WeakPolarHBondContact O-CB 3.36Å; R203-Q207 PolarHBondContact O-N 3.42Å; Q207-R209 VanDerWaalsContact C-N 3.29Å; Q207-R209 PolarHBondContact O-N 2.89Å; Q207-L210 PolarHBondContact O-N 3.19Å |
| 208 | R | 58.7 | Low | 51.8 | Low | 212 Ų | 212 | 123.4 Ų | 123.4 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -19.2 | 172.4 | -165.2 | 163.5 | -174.4 | 159.6 | 1.1 | 113.9 | A204 L205 L206 | A204-R208 WeakPolarHBondContact O-CB 3.32Å; A204-R208 PolarHBondContact O-N 3.12Å; L205-R208 PolarHBondContact O-N 3.46Å; L206-R208 PolarHBondContact O-N 3.44Å |
| 209 | R | 56.9 | Low | 51.6 | Low | 189 Ų | 189 | 124.8 Ų | 124.8 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -20.3 | 175.7 | -158.2 | 166.9 | -50.9 | 179.4 | 9.6 | 113.4 | L205 L206 Q207 L211 | L205-R209 PolarHBondContact O-N 2.99Å; L206-R209 PolarHBondContact O-N 3.48Å; Q207-R209 VanDerWaalsContact C-N 3.29Å; Q207-R209 PolarHBondContact O-N 2.89Å; R209-L211 PolarHBondContact O-N 2.85Å |
| 210 | L | 50.9 | Low | 52 | Low | 153 Ų | 153 | 125.2 Ų | 125.2 | 80% | 0.801 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 7.6 | -174.1 | -132.3 | 105.3 | 0 | 0 | 0 | 115.1 | L206 Q207 | L206-L210 PolarHBondContact O-N 2.87Å; L206-L210 VanDerWaalsContact O-N 3.1Å; Q207-L210 PolarHBondContact O-N 3.19Å |
| 211 | L | 50.1 | Low | 52 | Low | 143 Ų | 143 | 123.7 Ų | 123.7 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 9.4 | -175 | -114.5 | 160.8 | 0 | 0 | 0 | 115 | R209 | R209-L211 PolarHBondContact O-N 2.85Š|
| 212 | H | 45.5 | Very low | 52.2 | Low | 159 Ų | 159 | 124.6 Ų | 124.6 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -130.3 | 135 | 172.9 | -68.2 | -66.7 | 0 | 0 | 0 | 112.1 | ||
| 213 | T | 44.7 | Very low | 52.4 | Low | 145 Ų | 145 | 124.2 Ų | 124.2 | 89% | 0.89 | 66% | 0.656 | S | S | * | * | trans | 86 | 91.4 | 168 | 76.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 214 | S | 36.7 | Very low | 53.1 | Low | 115 Ų | 115 | 123 Ų | 123 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | trans | -62.9 | 154.9 | 166.6 | -38.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 215 | T | 43.3 | Very low | 53.9 | Low | 67 Ų | 67 | 124.5 Ų | 124.5 | 41% | 0.411 | 66% | 0.656 | S | S | . | * | trans | -52.2 | 143.9 | 138.4 | 37 | 0 | 0 | 0 | 0 | 110.1 | D219 | T215-D219 WeakPolarHBondContact CB-OD1 3.4Å; T215-D219 WeakPolarHBondContact CG2-OD1 3.45Å; T215-D219 PolarHBondContact OG1-OD1 3.03Å | ||
| 216 | A | 41 | Very low | 54.7 | Low | 97 Ų | 97 | 122.9 Ų | 122.9 | 80% | 0.802 | 65% | 0.65 | S | S | * | * | S | Bend | -131.4 | 90.6 | 126.7 | 0 | 0 | 0 | 0 | 0 | 106 | |||
| 217 | R | 40.9 | Very low | 55.7 | Low | 227 Ų | 227 | 121 Ų | 121 | 86% | 0.857 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 100.9 | 82.6 | 177.5 | -56.8 | 165.2 | 178.2 | 176.3 | -0.4 | 115.7 | ||
| 218 | N | 46.7 | Very low | 56.8 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 66% | 0.663 | 64% | 0.642 | S | S | * | * | trans | -177 | 47.2 | 132.4 | -83 | -16 | 0 | 0 | 0 | 110.1 | A220 S221 | N218-A220 VanDerWaalsContact C-N 3.25Å; N218-A220 PolarHBondContact O-N 3.16Å; N218-A220 VanDerWaalsContact O-N 3.15Å; N218-S221 PolarHBondContact O-N 3.38Å; N218-S221 PolarHBondContact O-OG 3.13Å | ||
| 219 | D | 51 | Low | 57.6 | Low | 98 Ų | 98 | 115.8 Ų | 115.8 | 52% | 0.524 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.4 | -19.3 | -170.4 | -71.3 | -47.8 | 0 | 0 | 0 | 115.3 | T215 S223 | T215-D219 WeakPolarHBondContact CB-OD1 3.4Å; T215-D219 WeakPolarHBondContact CG2-OD1 3.45Å; T215-D219 PolarHBondContact OG1-OD1 3.03Å; D219-S223 WeakPolarHBondContact O-CB 3.41Å; D219-S223 PolarHBondContact O-N 3.4Å; D219-S223 VanDerWaalsContact O-N 3.08Å |
| 220 | A | 59.8 | Low | 58.8 | Low | 82 Ų | 82 | 112.7 Ų | 112.7 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.7 | -42.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N218 S223 E224 | N218-A220 VanDerWaalsContact C-N 3.25Å; N218-A220 PolarHBondContact O-N 3.16Å; N218-A220 VanDerWaalsContact O-N 3.15Å; A220-S223 PolarHBondContact O-N 3.31Å; A220-E224 PolarHBondContact O-N 2.83Å |
| 221 | S | 61.1 | Low | 60.3 | Low | 70 Ų | 70 | 112.4 Ų | 112.4 | 49% | 0.49 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -73.4 | -31 | -179.8 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | N218 I225 | N218-S221 PolarHBondContact O-N 3.38Å; N218-S221 PolarHBondContact O-OG 3.13Å; S221-I225 WeakPolarHBondContact O-CD1 3.29Å; S221-I225 VanDerWaalsContact O-CG1 3.26Å; S221-I225 WeakPolarHBondContact O-CG1 3.42Å; S221-I225 PolarHBondContact O-N 3.39Å |
| 222 | V | 59 | Low | 61.9 | Low | 71 Ų | 71 | 113.1 Ų | 113.1 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.7 | -41.2 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | E224 I225 V226 | V222-E224 VanDerWaalsContact C-N 3.34Å; V222-E224 PolarHBondContact O-N 3.4Å; V222-I225 PolarHBondContact O-N 2.93Å; V222-V226 HydrophobicContact CG1-CG2 4.27Å; V222-V226 WeakPolarHBondContact O-CB 3.36Å; V222-V226 VanDerWaalsContact O-CG2 3.25Å; V222-V226 WeakPolarHBondContact O-CG2 3.31Å; V222-V226 PolarHBondContact O-N 3.02Å |
| 223 | S | 63.2 | Low | 63.7 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.9 | -36.9 | 178.5 | -169.3 | 0 | 0 | 0 | 0 | 113.1 | D219 A220 A227 | D219-S223 WeakPolarHBondContact O-CB 3.41Å; D219-S223 PolarHBondContact O-N 3.4Å; D219-S223 VanDerWaalsContact O-N 3.08Å; A220-S223 PolarHBondContact O-N 3.31Å; S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 3.17Å |
| 224 | E | 73.6 | Confident | 65.4 | Low | 145 Ų | 145 | 107 Ų | 107 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.1 | -39 | 177.2 | -171.8 | 159.2 | -161.9 | 0 | 0 | 111.9 | A220 V222 A227 V228 | A220-E224 PolarHBondContact O-N 2.83Å; V222-E224 VanDerWaalsContact C-N 3.34Å; V222-E224 PolarHBondContact O-N 3.4Å; E224-A227 PolarHBondContact O-N 3.05Å; E224-V228 WeakPolarHBondContact O-CG2 3.48Å; E224-V228 PolarHBondContact O-N 3.48Å |
| 225 | I | 73.8 | Confident | 67.7 | Low | 94 Ų | 94 | 105.9 Ų | 105.9 | 48% | 0.482 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -45.2 | 173.1 | -70.2 | 170 | 0 | 0 | 0 | 110.5 | S221 V222 A227 V228 Y229 | S221-I225 WeakPolarHBondContact O-CD1 3.29Å; S221-I225 VanDerWaalsContact O-CG1 3.26Å; S221-I225 WeakPolarHBondContact O-CG1 3.42Å; S221-I225 PolarHBondContact O-N 3.39Å; V222-I225 PolarHBondContact O-N 2.93Å; I225-A227 PolarHBondContact O-N 2.83Å; I225-V228 PolarHBondContact O-N 3.1Å; I225-Y229 HydrophobicContact CG2-CD2 3.52Å; I225-Y229 HydrophobicContact CG2-CE2 3.33Å; I225-Y229 WeakPolarHBondContact O-CD2 3.43Å; I225-Y229 PolarHBondContact O-N 3.31Å |
| 226 | V | 75.3 | Confident | 69.5 | Low | 70 Ų | 70 | 107.4 Ų | 107.4 | 42% | 0.424 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.4 | -45.6 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | V222 V228 Y229 E230 | V222-V226 HydrophobicContact CG1-CG2 4.27Å; V222-V226 WeakPolarHBondContact O-CB 3.36Å; V222-V226 VanDerWaalsContact O-CG2 3.25Å; V222-V226 WeakPolarHBondContact O-CG2 3.31Å; V222-V226 PolarHBondContact O-N 3.02Å; V226-V228 VanDerWaalsContact C-N 3.34Å; V226-V228 PolarHBondContact O-N 3.01Å; V226-Y229 CarbonylContact O-C 3.51Å; V226-Y229 PolarHBondContact O-N 3.43Å; V226-Y229 VanDerWaalsContact O-N 3.15Å; V226-E230 HydrophobicContact CG1-CG 4.37Å; V226-E230 WeakPolarHBondContact O-CG 3.48Å; V226-E230 PolarHBondContact O-N 2.99Å |
| 227 | A | 78.2 | Confident | 71.5 | Confident | 51 Ų | 51 | 106.7 Ų | 106.7 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.5 | -38.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S223 E224 I225 E230 K231 | S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 3.17Å; E224-A227 PolarHBondContact O-N 3.05Å; I225-A227 PolarHBondContact O-N 2.83Å; A227-E230 PolarHBondContact O-N 3.49Å; A227-K231 WeakPolarHBondContact O-CB 3.43Å; A227-K231 PolarHBondContact O-N 3.01Å |
| 228 | V | 81.6 | Confident | 73.6 | Confident | 95 Ų | 95 | 102.1 Ų | 102.1 | 58% | 0.576 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 173.9 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | E224 I225 V226 K231 R232 | E224-V228 WeakPolarHBondContact O-CG2 3.48Å; E224-V228 PolarHBondContact O-N 3.48Å; I225-V228 PolarHBondContact O-N 3.1Å; V226-V228 VanDerWaalsContact C-N 3.34Å; V226-V228 PolarHBondContact O-N 3.01Å; V228-K231 PolarHBondContact O-N 3.29Å; V228-R232 WeakPolarHBondContact O-CB 3.47Å; V228-R232 PolarHBondContact O-N 2.96Å |
| 229 | Y | 77.2 | Confident | 75.4 | Confident | 157 Ų | 157 | 104.3 Ų | 104.3 | 62% | 0.616 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.8 | -38.4 | 175.4 | -79.4 | -66.3 | 0 | 0 | 0 | 112.5 | I225 V226 R232 V233 | I225-Y229 HydrophobicContact CG2-CD2 3.52Å; I225-Y229 HydrophobicContact CG2-CE2 3.33Å; I225-Y229 WeakPolarHBondContact O-CD2 3.43Å; I225-Y229 PolarHBondContact O-N 3.31Å; V226-Y229 CarbonylContact O-C 3.51Å; V226-Y229 PolarHBondContact O-N 3.43Å; V226-Y229 VanDerWaalsContact O-N 3.15Å; Y229-R232 WeakPolarHBondContact O-CB 3.2Å; Y229-R232 PolarHBondContact O-N 2.94Å; Y229-V233 WeakPolarHBondContact O-CB 3.4Å; Y229-V233 WeakPolarHBondContact O-CG2 3.49Å; Y229-V233 PolarHBondContact O-N 3.33Å |
| 230 | E | 81.6 | Confident | 77.2 | Confident | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 174 | -78.7 | -179.8 | 159.9 | 0 | 0 | 111.3 | V226 A227 R232 V233 T234 | V226-E230 HydrophobicContact CG1-CG 4.37Å; V226-E230 WeakPolarHBondContact O-CG 3.48Å; V226-E230 PolarHBondContact O-N 2.99Å; A227-E230 PolarHBondContact O-N 3.49Å; E230-R232 VanDerWaalsContact C-N 3.3Å; E230-R232 PolarHBondContact O-N 3.25Å; E230-V233 CarbonylContact O-C 3.58Å; E230-V233 WeakPolarHBondContact O-CB 3.22Å; E230-V233 PolarHBondContact O-N 2.96Å; E230-V233 VanDerWaalsContact O-N 3.1Å; E230-T234 WeakPolarHBondContact O-CG2 3.4Å; E230-T234 PolarHBondContact O-N 3.2Å; E230-T234 PolarHBondContact O-OG1 3.47Å |
| 231 | K | 81.9 | Confident | 78.5 | Confident | 147 Ų | 147 | 104 Ų | 104 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.3 | -38.5 | 177.8 | -153.9 | 177.7 | -172.7 | -179.1 | 0 | 112 | A227 V228 T234 E235 | A227-K231 WeakPolarHBondContact O-CB 3.43Å; A227-K231 PolarHBondContact O-N 3.01Å; V228-K231 PolarHBondContact O-N 3.29Å; K231-T234 WeakPolarHBondContact CA-OG1 3.42Å; K231-T234 PolarHBondContact O-N 3.22Å; K231-T234 PolarHBondContact O-OG1 3Å; K231-E235 PolarHBondContact O-N 3.48Å |
| 232 | R | 84.5 | Confident | 79.7 | Confident | 158 Ų | 158 | 104.9 Ų | 104.9 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 172.6 | -173.8 | 75.4 | 117.2 | 144.9 | 5.7 | 111.5 | V228 Y229 E230 L236 | V228-R232 WeakPolarHBondContact O-CB 3.47Å; V228-R232 PolarHBondContact O-N 2.96Å; Y229-R232 WeakPolarHBondContact O-CB 3.2Å; Y229-R232 PolarHBondContact O-N 2.94Å; E230-R232 VanDerWaalsContact C-N 3.3Å; E230-R232 PolarHBondContact O-N 3.25Å; R232-L236 HydrophobicContact CG-CD1 4.17Å; R232-L236 WeakPolarHBondContact O-CB 3.42Å; R232-L236 VanDerWaalsContact O-CG 3.25Å; R232-L236 WeakPolarHBondContact O-CG 3.23Å; R232-L236 PolarHBondContact O-N 3.37Å |
| 233 | V | 83.5 | Confident | 81 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 177.2 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | Y229 E230 L236 T237 | Y229-V233 WeakPolarHBondContact O-CB 3.4Å; Y229-V233 WeakPolarHBondContact O-CG2 3.49Å; Y229-V233 PolarHBondContact O-N 3.33Å; E230-V233 CarbonylContact O-C 3.58Å; E230-V233 WeakPolarHBondContact O-CB 3.22Å; E230-V233 PolarHBondContact O-N 2.96Å; E230-V233 VanDerWaalsContact O-N 3.1Å; V233-L236 PolarHBondContact O-N 2.85Å; V233-T237 VanDerWaalsContact O-CB 3.3Å; V233-T237 WeakPolarHBondContact O-CB 3.48Å; V233-T237 PolarHBondContact O-N 3.35Å; V233-T237 PolarHBondContact O-OG1 3.22Å |
| 234 | T | 80.1 | Confident | 82.2 | Confident | 89 Ų | 89 | 106.3 Ų | 106.3 | 55% | 0.546 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 176.3 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | E230 K231 L236 T237 E238 | E230-T234 WeakPolarHBondContact O-CG2 3.4Å; E230-T234 PolarHBondContact O-N 3.2Å; E230-T234 PolarHBondContact O-OG1 3.47Å; K231-T234 WeakPolarHBondContact CA-OG1 3.42Å; K231-T234 PolarHBondContact O-N 3.22Å; K231-T234 PolarHBondContact O-OG1 3Å; T234-L236 PolarHBondContact O-N 3.44Å; T234-T237 PolarHBondContact O-N 2.92Å; T234-E238 WeakPolarHBondContact O-CB 3.49Å; T234-E238 PolarHBondContact O-N 3.45Å |
| 235 | E | 83.9 | Confident | 82.9 | Confident | 92 Ų | 92 | 104.3 Ų | 104.3 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176 | -84.1 | -177.5 | 170.6 | 0 | 0 | 112.5 | K231 T237 E238 R239 | K231-E235 PolarHBondContact O-N 3.48Å; E235-T237 VanDerWaalsContact C-N 3.33Å; E235-E238 PolarHBondContact O-N 3.43Å; E235-R239 WeakPolarHBondContact O-CB 3.4Å; E235-R239 WeakPolarHBondContact O-CG 3.19Å; E235-R239 PolarHBondContact O-N 3.42Å |
| 236 | L | 81.9 | Confident | 83.5 | Confident | 99 Ų | 99 | 105 Ų | 105 | 52% | 0.518 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.2 | -34.1 | 176.8 | -72.8 | 175.4 | 0 | 0 | 0 | 111.9 | R232 V233 T234 L240 | R232-L236 HydrophobicContact CG-CD1 4.17Å; R232-L236 WeakPolarHBondContact O-CB 3.42Å; R232-L236 VanDerWaalsContact O-CG 3.25Å; R232-L236 WeakPolarHBondContact O-CG 3.23Å; R232-L236 PolarHBondContact O-N 3.37Å; V233-L236 PolarHBondContact O-N 2.85Å; T234-L236 PolarHBondContact O-N 3.44Å; L236-L240 VanDerWaalsContact O-CB 3.23Å; L236-L240 WeakPolarHBondContact O-CB 3.29Å; L236-L240 PolarHBondContact O-N 2.9Å |
| 237 | T | 83.1 | Confident | 83.8 | Confident | 82 Ų | 82 | 109.5 Ų | 109.5 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 176.3 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | V233 T234 E235 L240 A241 | V233-T237 VanDerWaalsContact O-CB 3.3Å; V233-T237 WeakPolarHBondContact O-CB 3.48Å; V233-T237 PolarHBondContact O-N 3.35Å; V233-T237 PolarHBondContact O-OG1 3.22Å; T234-T237 PolarHBondContact O-N 2.92Å; E235-T237 VanDerWaalsContact C-N 3.33Å; T237-L240 PolarHBondContact O-N 3.41Å; T237-A241 WeakPolarHBondContact O-CB 3.48Å; T237-A241 PolarHBondContact O-N 2.84Å |
| 238 | E | 85 | Confident | 84.2 | Confident | 131 Ų | 131 | 113 Ų | 113 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -44 | 175.4 | -170.6 | 173.5 | -161.8 | 0 | 0 | 111.8 | T234 E235 L240 A241 I242 | T234-E238 WeakPolarHBondContact O-CB 3.49Å; T234-E238 PolarHBondContact O-N 3.45Å; E235-E238 PolarHBondContact O-N 3.43Å; E238-L240 VanDerWaalsContact C-N 3.31Å; E238-L240 PolarHBondContact O-N 3.46Å; E238-A241 PolarHBondContact O-N 3.13Å; E238-I242 HydrophobicContact CG-CD1 4.34Å; E238-I242 WeakPolarHBondContact O-CG1 3.33Å; E238-I242 PolarHBondContact O-N 2.96Å |
| 239 | R | 85 | Confident | 84.4 | Confident | 170 Ų | 170 | 113.9 Ų | 113.9 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.1 | -41.2 | 172.2 | -74.5 | -179.7 | -170.6 | -151.5 | 2.8 | 112.1 | E235 A241 I242 E243 | E235-R239 WeakPolarHBondContact O-CB 3.4Å; E235-R239 WeakPolarHBondContact O-CG 3.19Å; E235-R239 PolarHBondContact O-N 3.42Å; R239-A241 VanDerWaalsContact C-N 3.34Å; R239-I242 PolarHBondContact O-N 3.1Å; R239-E243 WeakPolarHBondContact O-CB 3.39Å; R239-E243 PolarHBondContact O-N 3.25Å |
| 240 | L | 87.9 | Confident | 84.9 | Confident | 112 Ų | 112 | 111.6 Ų | 111.6 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 176.3 | -175.5 | 67.7 | 0 | 0 | 0 | 111.3 | L236 T237 E238 E243 V244 | L236-L240 VanDerWaalsContact O-CB 3.23Å; L236-L240 WeakPolarHBondContact O-CB 3.29Å; L236-L240 PolarHBondContact O-N 2.9Å; T237-L240 PolarHBondContact O-N 3.41Å; E238-L240 VanDerWaalsContact C-N 3.31Å; E238-L240 PolarHBondContact O-N 3.46Å; L240-E243 PolarHBondContact O-N 2.66Å; L240-V244 WeakPolarHBondContact O-CB 3.5Å; L240-V244 VanDerWaalsContact O-CG2 3.23Å; L240-V244 WeakPolarHBondContact O-CG2 3.32Å; L240-V244 PolarHBondContact O-N 2.88Å |
| 241 | A | 87 | Confident | 84.9 | Confident | 61 Ų | 61 | 109.9 Ų | 109.9 | 50% | 0.504 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T237 E238 R239 V244 N245 | T237-A241 WeakPolarHBondContact O-CB 3.48Å; T237-A241 PolarHBondContact O-N 2.84Å; E238-A241 PolarHBondContact O-N 3.13Å; R239-A241 VanDerWaalsContact C-N 3.34Å; A241-V244 PolarHBondContact O-N 3.43Å; A241-N245 WeakPolarHBondContact O-CB 3.44Å; A241-N245 PolarHBondContact O-N 3.1Å |
| 242 | I | 87.3 | Confident | 85.1 | Confident | 90 Ų | 90 | 105.3 Ų | 105.3 | 46% | 0.462 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 174.5 | -65.7 | 165.4 | 0 | 0 | 0 | 110.5 | E238 R239 V244 N245 M246 | E238-I242 HydrophobicContact CG-CD1 4.34Å; E238-I242 WeakPolarHBondContact O-CG1 3.33Å; E238-I242 PolarHBondContact O-N 2.96Å; R239-I242 PolarHBondContact O-N 3.1Å; I242-V244 PolarHBondContact O-N 3.07Å; I242-N245 PolarHBondContact O-N 3.34Å; I242-M246 HydrophobicContact CG2-CE 4.36Å; I242-M246 HydrophobicContact CG2-CG 4.46Å; I242-M246 HydrophobicContact CG2-SD 4.34Å; I242-M246 WeakPolarHBondContact O-CB 3.47Å; I242-M246 WeakPolarHBondContact O-CG 3.5Å; I242-M246 PolarHBondContact O-N 2.94Å |
| 243 | E | 85.3 | Confident | 85.3 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 179.3 | -164.8 | 84.6 | -163.8 | 0 | 0 | 111.8 | R239 L240 R247 | R239-E243 WeakPolarHBondContact O-CB 3.39Å; R239-E243 PolarHBondContact O-N 3.25Å; L240-E243 PolarHBondContact O-N 2.66Å; E243-R247 WeakPolarHBondContact O-CB 3.48Å; E243-R247 VanDerWaalsContact O-CG 3.29Å; E243-R247 WeakPolarHBondContact O-CG 3.48Å; E243-R247 PolarHBondContact O-N 3.34Å |
| 244 | V | 89.1 | Confident | 85.5 | Confident | 75 Ų | 75 | 106.2 Ų | 106.2 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 175 | 168 | 0 | 0 | 0 | 0 | 110.3 | L240 A241 I242 M246 R247 E248 | L240-V244 WeakPolarHBondContact O-CB 3.5Å; L240-V244 VanDerWaalsContact O-CG2 3.23Å; L240-V244 WeakPolarHBondContact O-CG2 3.32Å; L240-V244 PolarHBondContact O-N 2.88Å; A241-V244 PolarHBondContact O-N 3.43Å; I242-V244 PolarHBondContact O-N 3.07Å; V244-M246 PolarHBondContact O-N 3.05Å; V244-R247 WeakPolarHBondContact O-CB 3.42Å; V244-R247 PolarHBondContact O-N 3.44Å; V244-E248 PolarHBondContact O-N 3.01Å |
| 245 | N | 87.4 | Confident | 85.8 | Confident | 103 Ų | 103 | 105.3 Ų | 105.3 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 178.6 | -162.5 | 11.4 | 0 | 0 | 0 | 111.8 | A241 I242 E248 Q249 | A241-N245 WeakPolarHBondContact O-CB 3.44Å; A241-N245 PolarHBondContact O-N 3.1Å; I242-N245 PolarHBondContact O-N 3.34Å; N245-E248 PolarHBondContact O-N 3Å; N245-Q249 WeakPolarHBondContact O-CB 3.29Å; N245-Q249 PolarHBondContact O-N 2.8Å |
| 246 | M | 87.5 | Confident | 86 | Confident | 109 Ų | 109 | 107 Ų | 107 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 172.3 | -77.7 | -172.9 | 165.1 | 0 | 0 | 112 | I242 V244 E248 Q249 I250 | I242-M246 HydrophobicContact CG2-CE 4.36Å; I242-M246 HydrophobicContact CG2-CG 4.46Å; I242-M246 HydrophobicContact CG2-SD 4.34Å; I242-M246 WeakPolarHBondContact O-CB 3.47Å; I242-M246 WeakPolarHBondContact O-CG 3.5Å; I242-M246 PolarHBondContact O-N 2.94Å; V244-M246 PolarHBondContact O-N 3.05Å; M246-E248 VanDerWaalsContact C-N 3.35Å; M246-Q249 PolarHBondContact O-N 2.68Å; M246-I250 WeakPolarHBondContact O-CB 3.24Å; M246-I250 WeakPolarHBondContact O-CD1 3.17Å; M246-I250 WeakPolarHBondContact O-CG1 3.36Å; M246-I250 PolarHBondContact O-N 3.05Å |
| 247 | R | 80.7 | Confident | 86.2 | Confident | 164 Ų | 164 | 107.6 Ų | 107.6 | 62% | 0.619 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 174.8 | -77.7 | 175 | -178.8 | -118.4 | -1 | 111.5 | E243 V244 I250 T251 | E243-R247 WeakPolarHBondContact O-CB 3.48Å; E243-R247 VanDerWaalsContact O-CG 3.29Å; E243-R247 WeakPolarHBondContact O-CG 3.48Å; E243-R247 PolarHBondContact O-N 3.34Å; V244-R247 WeakPolarHBondContact O-CB 3.42Å; V244-R247 PolarHBondContact O-N 3.44Å; R247-I250 PolarHBondContact O-N 2.85Å; R247-T251 VanDerWaalsContact O-CG2 3.31Å; R247-T251 WeakPolarHBondContact O-CG2 3.41Å; R247-T251 PolarHBondContact O-N 3.32Å; R247-T251 PolarHBondContact O-OG1 3.38Å |
| 248 | E | 86.3 | Confident | 86.3 | Confident | 123 Ų | 123 | 106.6 Ų | 106.6 | 58% | 0.575 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.1 | -45.7 | 175.7 | -120.2 | 166 | -177.2 | 0 | 0 | 111.3 | V244 N245 M246 I250 T251 S252 | V244-E248 PolarHBondContact O-N 3.01Å; N245-E248 PolarHBondContact O-N 3Å; M246-E248 VanDerWaalsContact C-N 3.35Å; E248-I250 PolarHBondContact O-N 2.7Å; E248-T251 WeakPolarHBondContact CA-OG1 3.4Å; E248-T251 PolarHBondContact O-N 3.12Å; E248-T251 PolarHBondContact O-OG1 2.75Å; E248-S252 WeakPolarHBondContact O-CB 3.42Å; E248-S252 PolarHBondContact O-N 2.79Å |
| 249 | Q | 87.2 | Confident | 86.4 | Confident | 115 Ų | 115 | 105.8 Ų | 105.8 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.8 | -165.7 | 174.9 | -5.7 | 0 | 0 | 112.1 | N245 M246 T251 S252 E253 | N245-Q249 WeakPolarHBondContact O-CB 3.29Å; N245-Q249 PolarHBondContact O-N 2.8Å; M246-Q249 PolarHBondContact O-N 2.68Å; Q249-T251 VanDerWaalsContact C-N 3.34Å; Q249-T251 PolarHBondContact O-N 3.22Å; Q249-S252 PolarHBondContact O-N 2.81Å; Q249-E253 PolarHBondContact O-N 2.79Å |
| 250 | I | 87.1 | Confident | 86.5 | Confident | 108 Ų | 108 | 103.8 Ų | 103.8 | 55% | 0.554 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.5 | -40.3 | 174.9 | -69.5 | 165.5 | 0 | 0 | 0 | 110.9 | M246 R247 E248 E253 K254 | M246-I250 WeakPolarHBondContact O-CB 3.24Å; M246-I250 WeakPolarHBondContact O-CD1 3.17Å; M246-I250 WeakPolarHBondContact O-CG1 3.36Å; M246-I250 PolarHBondContact O-N 3.05Å; R247-I250 PolarHBondContact O-N 2.85Å; E248-I250 PolarHBondContact O-N 2.7Å; I250-E253 PolarHBondContact O-N 2.83Å; I250-K254 VanDerWaalsContact O-CB 3.23Å; I250-K254 WeakPolarHBondContact O-CB 3.28Å; I250-K254 PolarHBondContact O-N 3.22Å |
| 251 | T | 82 | Confident | 86.5 | Confident | 88 Ų | 88 | 104.2 Ų | 104.2 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68 | -37.3 | 176.8 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | R247 E248 Q249 K254 S255 | R247-T251 VanDerWaalsContact O-CG2 3.31Å; R247-T251 WeakPolarHBondContact O-CG2 3.41Å; R247-T251 PolarHBondContact O-N 3.32Å; R247-T251 PolarHBondContact O-OG1 3.38Å; E248-T251 WeakPolarHBondContact CA-OG1 3.4Å; E248-T251 PolarHBondContact O-N 3.12Å; E248-T251 PolarHBondContact O-OG1 2.75Å; Q249-T251 VanDerWaalsContact C-N 3.34Å; Q249-T251 PolarHBondContact O-N 3.22Å; T251-K254 PolarHBondContact O-N 2.91Å; T251-S255 WeakPolarHBondContact O-CB 3.38Å; T251-S255 PolarHBondContact O-N 3.45Å |
| 252 | S | 85.3 | Confident | 86.5 | Confident | 52 Ų | 52 | 104.4 Ų | 104.4 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 172.9 | 149.6 | 0 | 0 | 0 | 0 | 111.5 | E248 Q249 K254 S255 K256 | E248-S252 WeakPolarHBondContact O-CB 3.42Å; E248-S252 PolarHBondContact O-N 2.79Å; Q249-S252 PolarHBondContact O-N 2.81Å; S252-K254 PolarHBondContact O-N 3.3Å; S252-S255 WeakPolarHBondContact O-CB 3.31Å; S252-S255 PolarHBondContact O-N 3.47Å; S252-K256 WeakPolarHBondContact O-CG 3.42Å; S252-K256 PolarHBondContact O-N 3.03Å |
| 253 | E | 88.6 | Confident | 86.5 | Confident | 105 Ų | 105 | 108.6 Ų | 108.6 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.9 | -78.2 | -169.9 | 171.9 | 0 | 0 | 112.1 | Q249 I250 S255 K256 L257 | Q249-E253 PolarHBondContact O-N 2.79Å; I250-E253 PolarHBondContact O-N 2.83Å; E253-S255 VanDerWaalsContact C-N 3.28Å; E253-S255 PolarHBondContact O-N 2.94Å; E253-K256 PolarHBondContact O-N 3.46Å; E253-L257 WeakPolarHBondContact O-CB 3.33Å; E253-L257 PolarHBondContact O-N 3.49Å |
| 254 | K | 87 | Confident | 86.7 | Confident | 158 Ų | 158 | 110.7 Ų | 110.7 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.6 | -36.4 | 175.3 | -166 | 179 | -178.1 | -177.7 | 0 | 112 | I250 T251 S252 A258 | I250-K254 VanDerWaalsContact O-CB 3.23Å; I250-K254 WeakPolarHBondContact O-CB 3.28Å; I250-K254 PolarHBondContact O-N 3.22Å; T251-K254 PolarHBondContact O-N 2.91Å; S252-K254 PolarHBondContact O-N 3.3Å; K254-A258 WeakPolarHBondContact O-CB 3.28Å; K254-A258 PolarHBondContact O-N 3.45Å |
| 255 | S | 87.3 | Confident | 86.8 | Confident | 69 Ų | 69 | 115 Ų | 115 | 48% | 0.483 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.1 | -45.3 | 173.2 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | T251 S252 E253 A258 E259 | T251-S255 WeakPolarHBondContact O-CB 3.38Å; T251-S255 PolarHBondContact O-N 3.45Å; S252-S255 WeakPolarHBondContact O-CB 3.31Å; S252-S255 PolarHBondContact O-N 3.47Å; E253-S255 VanDerWaalsContact C-N 3.28Å; E253-S255 PolarHBondContact O-N 2.94Å; S255-A258 PolarHBondContact O-N 2.82Å; S255-E259 PolarHBondContact O-N 3.2Å |
| 256 | K | 88.7 | Confident | 86.7 | Confident | 127 Ų | 127 | 114.1 Ų | 114.1 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.7 | -44.3 | 176.6 | -70.2 | 176.3 | -175.9 | -179.8 | 0 | 112 | S252 E253 A258 E259 E260 | S252-K256 WeakPolarHBondContact O-CG 3.42Å; S252-K256 PolarHBondContact O-N 3.03Å; E253-K256 PolarHBondContact O-N 3.46Å; K256-A258 VanDerWaalsContact C-N 3.31Å; K256-A258 PolarHBondContact O-N 2.84Å; K256-E259 PolarHBondContact O-N 2.85Å; K256-E260 WeakPolarHBondContact O-CG 3.28Å; K256-E260 PolarHBondContact O-N 2.82Å |
| 257 | L | 85.5 | Confident | 86.8 | Confident | 112 Ų | 112 | 114.4 Ų | 114.4 | 59% | 0.586 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.8 | -37.5 | 174.9 | -100.3 | 130.5 | 0 | 0 | 0 | 112 | E253 N261 | E253-L257 WeakPolarHBondContact O-CB 3.33Å; E253-L257 PolarHBondContact O-N 3.49Å; L257-N261 WeakPolarHBondContact O-CB 3.48Å; L257-N261 PolarHBondContact O-N 2.72Å |
| 258 | A | 86.2 | Confident | 87.2 | Confident | 62 Ų | 62 | 114.1 Ų | 114.1 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.1 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | K254 S255 K256 N261 S262 | K254-A258 WeakPolarHBondContact O-CB 3.28Å; K254-A258 PolarHBondContact O-N 3.45Å; S255-A258 PolarHBondContact O-N 2.82Å; K256-A258 VanDerWaalsContact C-N 3.31Å; K256-A258 PolarHBondContact O-N 2.84Å; A258-N261 PolarHBondContact O-N 3.4Å; A258-S262 PolarHBondContact O-N 2.89Å |
| 259 | E | 86.6 | Confident | 87.5 | Confident | 113 Ų | 113 | 113.4 Ų | 113.4 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.4 | -45.9 | 173.9 | -77.6 | -176.5 | -178.7 | 0 | 0 | 112.1 | S255 K256 N261 S262 R263 | S255-E259 PolarHBondContact O-N 3.2Å; K256-E259 PolarHBondContact O-N 2.85Å; E259-N261 VanDerWaalsContact C-N 3.32Å; E259-N261 PolarHBondContact O-N 3.11Å; E259-S262 WeakPolarHBondContact CA-OG 3.45Å; E259-S262 PolarHBondContact O-N 2.8Å; E259-S262 PolarHBondContact O-OG 3.41Å; E259-R263 WeakPolarHBondContact O-CG 3.32Å; E259-R263 PolarHBondContact O-N 3.48Å |
| 260 | E | 87.5 | Confident | 87.6 | Confident | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.3 | -42.1 | 176 | -77.3 | -177 | 167 | 0 | 0 | 111.7 | K256 S262 R263 F264 | K256-E260 WeakPolarHBondContact O-CG 3.28Å; K256-E260 PolarHBondContact O-N 2.82Å; E260-S262 VanDerWaalsContact C-N 3.31Å; E260-S262 PolarHBondContact O-N 3.48Å; E260-R263 PolarHBondContact O-N 2.96Å; E260-F264 WeakPolarHBondContact O-CB 3.49Å; E260-F264 PolarHBondContact O-N 3.11Å |
| 261 | N | 86.4 | Confident | 87.8 | Confident | 120 Ų | 120 | 109.5 Ų | 109.5 | 64% | 0.642 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66 | -34.9 | 178 | -151.8 | 8.6 | 0 | 0 | 0 | 111.7 | L257 A258 E259 F264 K265 | L257-N261 WeakPolarHBondContact O-CB 3.48Å; L257-N261 PolarHBondContact O-N 2.72Å; A258-N261 PolarHBondContact O-N 3.4Å; E259-N261 VanDerWaalsContact C-N 3.32Å; E259-N261 PolarHBondContact O-N 3.11Å; N261-F264 PolarHBondContact O-N 2.88Å; N261-K265 WeakPolarHBondContact O-CB 3.12Å; N261-K265 PolarHBondContact O-N 3.02Å |
| 262 | S | 86.5 | Confident | 88.3 | Confident | 66 Ų | 66 | 111.4 Ų | 111.4 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.9 | -37.6 | 173.5 | 73.7 | 0 | 0 | 0 | 0 | 113 | A258 E259 E260 S266 | A258-S262 PolarHBondContact O-N 2.89Å; E259-S262 WeakPolarHBondContact CA-OG 3.45Å; E259-S262 PolarHBondContact O-N 2.8Å; E259-S262 PolarHBondContact O-OG 3.41Å; E260-S262 VanDerWaalsContact C-N 3.31Å; E260-S262 PolarHBondContact O-N 3.48Å; S262-S266 PolarHBondContact O-N 3.44Å; S262-S266 VanDerWaalsContact O-N 3.12Å; S262-S266 PolarHBondContact O-OG 2.89Å |
| 263 | R | 88.5 | Confident | 88.5 | Confident | 177 Ų | 177 | 113.8 Ų | 113.8 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.7 | -44 | 172 | -73.3 | -177.8 | 177.6 | -162.7 | 0.8 | 111.5 | E259 E260 K265 S266 L267 | E259-R263 WeakPolarHBondContact O-CG 3.32Å; E259-R263 PolarHBondContact O-N 3.48Å; E260-R263 PolarHBondContact O-N 2.96Å; R263-K265 VanDerWaalsContact C-N 3.32Å; R263-K265 PolarHBondContact O-N 2.78Å; R263-S266 PolarHBondContact O-N 3.15Å; R263-L267 PolarHBondContact O-N 3.27Å |
| 264 | F | 90.2 | Very high | 88.7 | Confident | 150 Ų | 150 | 114.8 Ų | 114.8 | 66% | 0.658 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.5 | -42.2 | 178.6 | -142.5 | -84.4 | 0 | 0 | 0 | 111.2 | E260 N261 S266 L267 Y268 | E260-F264 WeakPolarHBondContact O-CB 3.49Å; E260-F264 PolarHBondContact O-N 3.11Å; N261-F264 PolarHBondContact O-N 2.88Å; F264-S266 VanDerWaalsContact C-N 3.34Å; F264-S266 PolarHBondContact O-N 3.24Å; F264-L267 PolarHBondContact O-N 2.74Å; F264-Y268 VanDerWaalsContact O-CB 3.29Å; F264-Y268 WeakPolarHBondContact O-CB 3.41Å; F264-Y268 PolarHBondContact O-N 3.31Å |
| 265 | K | 89.4 | Confident | 89 | Confident | 166 Ų | 166 | 112.8 Ų | 112.8 | 72% | 0.722 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -38.5 | 175.7 | -161.8 | 173.3 | -173.2 | 179.5 | 0 | 112.5 | N261 R263 Q269 | N261-K265 WeakPolarHBondContact O-CB 3.12Å; N261-K265 PolarHBondContact O-N 3.02Å; R263-K265 VanDerWaalsContact C-N 3.32Å; R263-K265 PolarHBondContact O-N 2.78Å; K265-Q269 PolarHBondContact O-N 2.85Å; K265-Q269 VanDerWaalsContact O-N 3.13Å |
| 266 | S | 85.9 | Confident | 89.2 | Confident | 84 Ų | 84 | 114.8 Ų | 114.8 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.5 | -43.5 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | S262 R263 F264 Q269 S270 | S262-S266 PolarHBondContact O-N 3.44Å; S262-S266 VanDerWaalsContact O-N 3.12Å; S262-S266 PolarHBondContact O-OG 2.89Å; R263-S266 PolarHBondContact O-N 3.15Å; F264-S266 VanDerWaalsContact C-N 3.34Å; F264-S266 PolarHBondContact O-N 3.24Å; S266-Q269 PolarHBondContact O-N 2.88Å; S266-S270 PolarHBondContact O-N 3.38Å |
| 267 | L | 89.4 | Confident | 89.4 | Confident | 115 Ų | 115 | 113.8 Ų | 113.8 | 60% | 0.602 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -43 | 175 | -75.3 | 171.3 | 0 | 0 | 0 | 111.5 | R263 F264 Q269 S270 V271 | R263-L267 PolarHBondContact O-N 3.27Å; F264-L267 PolarHBondContact O-N 2.74Å; L267-Q269 VanDerWaalsContact C-N 3.31Å; L267-Q269 PolarHBondContact O-N 3.19Å; L267-S270 PolarHBondContact O-N 3.03Å; L267-S270 VanDerWaalsContact O-N 3.16Å; L267-V271 WeakPolarHBondContact O-CG2 3.36Å; L267-V271 PolarHBondContact O-N 3.48Å |
| 268 | Y | 90.4 | Very high | 89.7 | Confident | 158 Ų | 158 | 112.8 Ų | 112.8 | 62% | 0.62 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.7 | -42 | 177 | -172.1 | -93.6 | 0 | 0 | 0 | 112 | F264 V271 K272 | F264-Y268 VanDerWaalsContact O-CB 3.29Å; F264-Y268 WeakPolarHBondContact O-CB 3.41Å; F264-Y268 PolarHBondContact O-N 3.31Å; Y268-V271 PolarHBondContact O-N 3.48Å; Y268-K272 WeakPolarHBondContact O-CB 3.14Å; Y268-K272 PolarHBondContact O-N 3.25Å |
| 269 | Q | 91 | Very high | 90 | Very high | 107 Ų | 107 | 114.4 Ų | 114.4 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.2 | -39.5 | 175.8 | -170.3 | 60 | 37.8 | 0 | 0 | 112 | K265 S266 L267 K272 E273 | K265-Q269 PolarHBondContact O-N 2.85Å; K265-Q269 VanDerWaalsContact O-N 3.13Å; S266-Q269 PolarHBondContact O-N 2.88Å; L267-Q269 VanDerWaalsContact C-N 3.31Å; L267-Q269 PolarHBondContact O-N 3.19Å; Q269-K272 PolarHBondContact O-N 2.86Å; Q269-E273 PolarHBondContact O-N 3.29Å |
| 270 | S | 90.5 | Very high | 90.1 | Very high | 64 Ų | 64 | 114.1 Ų | 114.1 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -39.4 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | S266 L267 E273 K274 | S266-S270 PolarHBondContact O-N 3.38Å; L267-S270 PolarHBondContact O-N 3.03Å; L267-S270 VanDerWaalsContact O-N 3.16Å; S270-E273 PolarHBondContact O-N 3.24Å; S270-K274 WeakPolarHBondContact O-CB 3.31Å; S270-K274 WeakPolarHBondContact O-CG 3.32Å; S270-K274 PolarHBondContact O-N 2.68Å |
| 271 | V | 92 | Very high | 90.4 | Very high | 77 Ų | 77 | 113.1 Ų | 113.1 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -46.4 | 175.3 | 169.9 | 0 | 0 | 0 | 0 | 109.4 | L267 Y268 E273 K274 E275 | L267-V271 WeakPolarHBondContact O-CG2 3.36Å; L267-V271 PolarHBondContact O-N 3.48Å; Y268-V271 PolarHBondContact O-N 3.48Å; V271-E273 VanDerWaalsContact C-N 3.31Å; V271-E273 PolarHBondContact O-N 2.8Å; V271-K274 PolarHBondContact O-N 3.48Å; V271-K274 VanDerWaalsContact O-N 3.17Å; V271-E275 WeakPolarHBondContact O-CB 3.5Å; V271-E275 PolarHBondContact O-N 3.22Å |
| 272 | K | 90.9 | Very high | 90.6 | Very high | 129 Ų | 129 | 113 Ų | 113 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.2 | -40 | 177.4 | -169.5 | 178.9 | 179.6 | -176.8 | 0 | 113 | Y268 Q269 K276 | Y268-K272 WeakPolarHBondContact O-CB 3.14Å; Y268-K272 PolarHBondContact O-N 3.25Å; Q269-K272 PolarHBondContact O-N 2.86Å; K272-K276 WeakPolarHBondContact O-CB 3.39Å; K272-K276 PolarHBondContact O-N 2.93Å; K272-K276 VanDerWaalsContact O-N 3.1Å |
| 273 | E | 90.9 | Very high | 90.9 | Very high | 101 Ų | 101 | 112.1 Ų | 112.1 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 176.9 | -168 | 61 | -154.5 | 0 | 0 | 112 | Q269 S270 V271 K276 Q277 | Q269-E273 PolarHBondContact O-N 3.29Å; S270-E273 PolarHBondContact O-N 3.24Å; V271-E273 VanDerWaalsContact C-N 3.31Å; V271-E273 PolarHBondContact O-N 2.8Å; E273-K276 WeakPolarHBondContact O-CB 3.47Å; E273-K276 PolarHBondContact O-N 3.44Å; E273-Q277 WeakPolarHBondContact O-CB 3.44Å; E273-Q277 PolarHBondContact O-N 2.96Å |
| 274 | K | 91.2 | Very high | 90.9 | Very high | 126 Ų | 126 | 109.7 Ų | 109.7 | 55% | 0.548 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.2 | -70.6 | -86.1 | -174.1 | 174.6 | 0 | 111.6 | S270 V271 K276 Q277 I278 | S270-K274 WeakPolarHBondContact O-CB 3.31Å; S270-K274 WeakPolarHBondContact O-CG 3.32Å; S270-K274 PolarHBondContact O-N 2.68Å; V271-K274 PolarHBondContact O-N 3.48Å; V271-K274 VanDerWaalsContact O-N 3.17Å; K274-K276 VanDerWaalsContact C-N 3.32Å; K274-K276 PolarHBondContact O-N 2.87Å; K274-Q277 PolarHBondContact O-N 3.41Å; K274-I278 VanDerWaalsContact O-CG1 3.29Å; K274-I278 WeakPolarHBondContact O-CG1 3.45Å; K274-I278 PolarHBondContact O-N 2.92Å |
| 275 | E | 93.4 | Very high | 90.9 | Very high | 116 Ų | 116 | 104.4 Ų | 104.4 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 176.1 | -138.8 | 85.7 | -145.7 | 0 | 0 | 110.9 | V271 I278 V279 | V271-E275 WeakPolarHBondContact O-CB 3.5Å; V271-E275 PolarHBondContact O-N 3.22Å; E275-I278 PolarHBondContact O-N 3.16Å; E275-V279 WeakPolarHBondContact O-CG2 3.48Å; E275-V279 PolarHBondContact O-N 3.46Å |
| 276 | K | 92.6 | Very high | 91.1 | Very high | 112 Ų | 112 | 101.9 Ų | 101.9 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.5 | -173.3 | -173.6 | 172.8 | -158.4 | 0 | 111.5 | K272 E273 K274 I278 V279 E280 | K272-K276 WeakPolarHBondContact O-CB 3.39Å; K272-K276 PolarHBondContact O-N 2.93Å; K272-K276 VanDerWaalsContact O-N 3.1Å; E273-K276 WeakPolarHBondContact O-CB 3.47Å; E273-K276 PolarHBondContact O-N 3.44Å; K274-K276 VanDerWaalsContact C-N 3.32Å; K274-K276 PolarHBondContact O-N 2.87Å; K276-I278 VanDerWaalsContact C-N 3.32Å; K276-I278 PolarHBondContact O-N 3.32Å; K276-V279 PolarHBondContact O-N 2.77Å; K276-E280 WeakPolarHBondContact CE-OE1 3.47Å; K276-E280 IonicContact NZ-OE1 3.91Å; K276-E280 WeakPolarHBondContact O-CG 3.06Å; K276-E280 PolarHBondContact O-N 3.02Å |
| 277 | Q | 92.6 | Very high | 91.4 | Very high | 105 Ų | 105 | 104 Ų | 104 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 178.3 | -161.5 | 169.2 | 37.3 | 0 | 0 | 112.2 | E273 K274 E280 L281 | E273-Q277 WeakPolarHBondContact O-CB 3.44Å; E273-Q277 PolarHBondContact O-N 2.96Å; K274-Q277 PolarHBondContact O-N 3.41Å; Q277-E280 PolarHBondContact O-N 3.39Å; Q277-L281 WeakPolarHBondContact O-CB 3.21Å; Q277-L281 WeakPolarHBondContact O-CG 3.32Å; Q277-L281 PolarHBondContact O-N 2.93Å |
| 278 | I | 92.7 | Very high | 91.5 | Very high | 91 Ų | 91 | 103.5 Ų | 103.5 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 173.6 | -69 | 164.1 | 0 | 0 | 0 | 110.6 | K274 E275 K276 E280 L281 L282 | K274-I278 VanDerWaalsContact O-CG1 3.29Å; K274-I278 WeakPolarHBondContact O-CG1 3.45Å; K274-I278 PolarHBondContact O-N 2.92Å; E275-I278 PolarHBondContact O-N 3.16Å; K276-I278 VanDerWaalsContact C-N 3.32Å; K276-I278 PolarHBondContact O-N 3.32Å; I278-E280 VanDerWaalsContact C-N 3.33Å; I278-E280 PolarHBondContact O-N 3.45Å; I278-L281 PolarHBondContact O-N 3.1Å; I278-L282 HydrophobicContact CG2-CD1 3.83Å; I278-L282 HydrophobicContact CG2-CG 4.29Å; I278-L282 WeakPolarHBondContact O-CB 3.5Å; I278-L282 VanDerWaalsContact O-CG 3.24Å; I278-L282 WeakPolarHBondContact O-CG 3.15Å; I278-L282 PolarHBondContact O-N 2.84Å |
| 279 | V | 91.4 | Very high | 91.6 | Very high | 96 Ų | 96 | 98.8 Ų | 98.8 | 58% | 0.582 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | E275 K276 L282 S283 | E275-V279 WeakPolarHBondContact O-CG2 3.48Å; E275-V279 PolarHBondContact O-N 3.46Å; K276-V279 PolarHBondContact O-N 2.77Å; V279-L282 PolarHBondContact O-N 3.36Å; V279-S283 PolarHBondContact O-N 2.8Å |
| 280 | E | 89.5 | Confident | 91.6 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 176.4 | -73.1 | 175.2 | -174.2 | 0 | 0 | 112 | K276 Q277 I278 L282 S283 E284 | K276-E280 WeakPolarHBondContact CE-OE1 3.47Å; K276-E280 IonicContact NZ-OE1 3.91Å; K276-E280 WeakPolarHBondContact O-CG 3.06Å; K276-E280 PolarHBondContact O-N 3.02Å; Q277-E280 PolarHBondContact O-N 3.39Å; I278-E280 VanDerWaalsContact C-N 3.33Å; I278-E280 PolarHBondContact O-N 3.45Å; E280-L282 VanDerWaalsContact C-N 3.35Å; E280-L282 PolarHBondContact O-N 2.8Å; E280-S283 WeakPolarHBondContact O-CB 3.36Å; E280-S283 PolarHBondContact O-N 2.73Å; E280-E284 PolarHBondContact O-N 3.32Å |
| 281 | L | 92.3 | Very high | 91.6 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.5 | -37 | 177.2 | -74.9 | 171.3 | 0 | 0 | 0 | 112.8 | Q277 I278 E284 G285 | Q277-L281 WeakPolarHBondContact O-CB 3.21Å; Q277-L281 WeakPolarHBondContact O-CG 3.32Å; Q277-L281 PolarHBondContact O-N 2.93Å; I278-L281 PolarHBondContact O-N 3.1Å; L281-E284 PolarHBondContact O-N 2.64Å; L281-G285 PolarHBondContact O-N 3.31Å |
| 282 | L | 91.8 | Very high | 91.7 | Very high | 118 Ų | 118 | 105.2 Ų | 105.2 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.1 | -41.6 | 174.3 | -72.5 | 172.8 | 0 | 0 | 0 | 111.3 | I278 V279 E280 E284 G285 E286 | I278-L282 HydrophobicContact CG2-CD1 3.83Å; I278-L282 HydrophobicContact CG2-CG 4.29Å; I278-L282 WeakPolarHBondContact O-CB 3.5Å; I278-L282 VanDerWaalsContact O-CG 3.24Å; I278-L282 WeakPolarHBondContact O-CG 3.15Å; I278-L282 PolarHBondContact O-N 2.84Å; V279-L282 PolarHBondContact O-N 3.36Å; E280-L282 VanDerWaalsContact C-N 3.35Å; E280-L282 PolarHBondContact O-N 2.8Å; L282-E284 VanDerWaalsContact C-N 3.31Å; L282-E284 PolarHBondContact O-N 3.42Å; L282-G285 PolarHBondContact O-N 3.37Å; L282-E286 PolarHBondContact O-N 2.76Å |
| 283 | S | 91.9 | Very high | 91.7 | Very high | 48 Ų | 48 | 104.3 Ų | 104.3 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 173.4 | 167.8 | 0 | 0 | 0 | 0 | 112.1 | V279 E280 K287 | V279-S283 PolarHBondContact O-N 2.8Å; E280-S283 WeakPolarHBondContact O-CB 3.36Å; E280-S283 PolarHBondContact O-N 2.73Å; S283-K287 WeakPolarHBondContact O-CG 3.3Å; S283-K287 PolarHBondContact O-N 2.88Å; S283-K287 VanDerWaalsContact O-N 3.13Å |
| 284 | E | 88.7 | Confident | 91.7 | Very high | 125 Ų | 125 | 105.5 Ų | 105.5 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.1 | -41.7 | 180 | -166 | 166 | -157.2 | 0 | 0 | 111.3 | E280 L281 L282 E286 K287 L288 | E280-E284 PolarHBondContact O-N 3.32Å; L281-E284 PolarHBondContact O-N 2.64Å; L282-E284 VanDerWaalsContact C-N 3.31Å; L282-E284 PolarHBondContact O-N 3.42Å; E284-E286 VanDerWaalsContact C-N 3.35Å; E284-E286 PolarHBondContact O-N 3.2Å; E284-K287 PolarHBondContact O-N 2.98Å; E284-L288 WeakPolarHBondContact O-CB 3.39Å; E284-L288 PolarHBondContact O-N 3.48Å |
| 285 | G | 91 | Very high | 91.8 | Very high | 40 Ų | 40 | 104.1 Ų | 104.1 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L281 L282 L288 A289 | L281-G285 PolarHBondContact O-N 3.31Å; L282-G285 PolarHBondContact O-N 3.37Å; G285-L288 PolarHBondContact O-N 3.35Å; G285-A289 VanDerWaalsContact O-CB 3.28Å; G285-A289 WeakPolarHBondContact O-CB 3.45Å; G285-A289 PolarHBondContact O-N 2.84Å |
| 286 | E | 93.1 | Very high | 91.7 | Very high | 113 Ų | 113 | 101.3 Ų | 101.3 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 175.6 | -164.5 | -167.4 | 155.3 | 0 | 0 | 112 | L282 E284 K290 | L282-E286 PolarHBondContact O-N 2.76Å; E284-E286 VanDerWaalsContact C-N 3.35Å; E284-E286 PolarHBondContact O-N 3.2Å; E286-K290 WeakPolarHBondContact O-CG 3.34Å; E286-K290 PolarHBondContact O-N 3.49Å; E286-K290 WeakPolarHBondContact OE1-CE 3.36Å; E286-K290 IonicContact OE1-NZ 2.68Å; E286-K290 PolarHBondContact OE1-NZ 2.93Å |
| 287 | K | 92 | Very high | 91.7 | Very high | 127 Ų | 127 | 99.8 Ų | 99.8 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 175.4 | -74.7 | 171 | -177.5 | 168.1 | 0 | 111.7 | S283 E284 K290 R291 | S283-K287 WeakPolarHBondContact O-CG 3.3Å; S283-K287 PolarHBondContact O-N 2.88Å; S283-K287 VanDerWaalsContact O-N 3.13Å; E284-K287 PolarHBondContact O-N 2.98Å; K287-K290 PolarHBondContact O-N 3.35Å; K287-R291 PolarHBondContact O-N 3.42Å |
| 288 | L | 90.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 99.5 Ų | 99.5 | 56% | 0.555 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 177.8 | -155.3 | 92.8 | 0 | 0 | 0 | 110.4 | E284 G285 K290 R291 E292 | E284-L288 WeakPolarHBondContact O-CB 3.39Å; E284-L288 PolarHBondContact O-N 3.48Å; G285-L288 PolarHBondContact O-N 3.35Å; L288-K290 VanDerWaalsContact C-N 3.3Å; L288-K290 PolarHBondContact O-N 3.18Å; L288-R291 CarbonylContact O-C 3.58Å; L288-R291 WeakPolarHBondContact O-CA 3.35Å; L288-R291 WeakPolarHBondContact O-CB 3.38Å; L288-R291 PolarHBondContact O-N 2.87Å; L288-E292 WeakPolarHBondContact O-CB 3.37Å; L288-E292 WeakPolarHBondContact O-CG 3.49Å; L288-E292 PolarHBondContact O-N 2.86Å |
| 289 | A | 92.5 | Very high | 91.7 | Very high | 58 Ų | 58 | 99.2 Ų | 99.2 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G285 L293 | G285-A289 VanDerWaalsContact O-CB 3.28Å; G285-A289 WeakPolarHBondContact O-CB 3.45Å; G285-A289 PolarHBondContact O-N 2.84Å; A289-L293 VanDerWaalsContact O-CB 3.28Å; A289-L293 WeakPolarHBondContact O-CB 3.48Å; A289-L293 PolarHBondContact O-N 3.49Å |
| 290 | K | 91.8 | Very high | 91.8 | Very high | 116 Ų | 116 | 100.6 Ų | 100.6 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 172.9 | -77 | 176.1 | -172.6 | 164.5 | 0 | 112.1 | E286 K287 L288 L293 Q294 | E286-K290 WeakPolarHBondContact O-CG 3.34Å; E286-K290 PolarHBondContact O-N 3.49Å; E286-K290 WeakPolarHBondContact OE1-CE 3.36Å; E286-K290 IonicContact OE1-NZ 2.68Å; E286-K290 PolarHBondContact OE1-NZ 2.93Å; K287-K290 PolarHBondContact O-N 3.35Å; L288-K290 VanDerWaalsContact C-N 3.3Å; L288-K290 PolarHBondContact O-N 3.18Å; K290-L293 PolarHBondContact O-N 2.79Å; K290-Q294 WeakPolarHBondContact O-CB 3.33Å; K290-Q294 WeakPolarHBondContact O-CG 3.47Å; K290-Q294 PolarHBondContact O-N 3.41Å |
| 291 | R | 90.9 | Very high | 91.9 | Very high | 158 Ų | 158 | 101.8 Ų | 101.8 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -47.3 | 175.3 | -97.5 | -172.3 | 168.1 | 83.8 | -0.5 | 112 | K287 L288 L293 Q294 Q295 | K287-R291 PolarHBondContact O-N 3.42Å; L288-R291 CarbonylContact O-C 3.58Å; L288-R291 WeakPolarHBondContact O-CA 3.35Å; L288-R291 WeakPolarHBondContact O-CB 3.38Å; L288-R291 PolarHBondContact O-N 2.87Å; R291-L293 VanDerWaalsContact C-N 3.33Å; R291-L293 PolarHBondContact O-N 3.29Å; R291-Q294 WeakPolarHBondContact O-CB 3.41Å; R291-Q294 PolarHBondContact O-N 2.81Å; R291-Q295 WeakPolarHBondContact O-CB 3.41Å; R291-Q295 VanDerWaalsContact O-CG 3.31Å; R291-Q295 WeakPolarHBondContact O-CG 3.31Å; R291-Q295 PolarHBondContact O-N 2.9Å |
| 292 | E | 92.8 | Very high | 91.9 | Very high | 109 Ų | 109 | 101.3 Ų | 101.3 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 176.5 | -75.6 | -64.8 | 150.6 | 0 | 0 | 111.1 | L288 Q294 Q295 A296 | L288-E292 WeakPolarHBondContact O-CB 3.37Å; L288-E292 WeakPolarHBondContact O-CG 3.49Å; L288-E292 PolarHBondContact O-N 2.86Å; E292-Q294 PolarHBondContact O-N 2.8Å; E292-Q295 PolarHBondContact O-N 3.24Å; E292-A296 WeakPolarHBondContact O-CB 3.39Å; E292-A296 PolarHBondContact O-N 3.06Å |
| 293 | L | 91.7 | Very high | 92 | Very high | 110 Ų | 110 | 103.9 Ų | 103.9 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 177 | -171.8 | 137.4 | 0 | 0 | 0 | 112.3 | A289 K290 R291 N297 | A289-L293 VanDerWaalsContact O-CB 3.28Å; A289-L293 WeakPolarHBondContact O-CB 3.48Å; A289-L293 PolarHBondContact O-N 3.49Å; K290-L293 PolarHBondContact O-N 2.79Å; R291-L293 VanDerWaalsContact C-N 3.33Å; R291-L293 PolarHBondContact O-N 3.29Å; L293-N297 VanDerWaalsContact CD2-ND2 3.32Å; L293-N297 WeakPolarHBondContact CD2-ND2 3.31Å; L293-N297 WeakPolarHBondContact O-CB 3.45Å; L293-N297 VanDerWaalsContact O-CG 3.28Å; L293-N297 PolarHBondContact O-N 3.5Å; L293-N297 PolarHBondContact O-ND2 2.85Å |
| 294 | Q | 92 | Very high | 92.1 | Very high | 127 Ų | 127 | 107 Ų | 107 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 172.8 | -75.8 | 171.5 | -6.8 | 0 | 0 | 111.7 | K290 R291 E292 N297 L298 | K290-Q294 WeakPolarHBondContact O-CB 3.33Å; K290-Q294 WeakPolarHBondContact O-CG 3.47Å; K290-Q294 PolarHBondContact O-N 3.41Å; R291-Q294 WeakPolarHBondContact O-CB 3.41Å; R291-Q294 PolarHBondContact O-N 2.81Å; E292-Q294 PolarHBondContact O-N 2.8Å; Q294-N297 PolarHBondContact O-N 3.48Å; Q294-L298 WeakPolarHBondContact O-CB 3.34Å; Q294-L298 PolarHBondContact O-N 2.93Å |
| 295 | Q | 91.5 | Very high | 92.2 | Very high | 96 Ų | 96 | 107.2 Ų | 107.2 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 177.5 | -73 | 178.6 | 6.9 | 0 | 0 | 111.7 | R291 E292 N297 L298 I299 | R291-Q295 WeakPolarHBondContact O-CB 3.41Å; R291-Q295 VanDerWaalsContact O-CG 3.31Å; R291-Q295 WeakPolarHBondContact O-CG 3.31Å; R291-Q295 PolarHBondContact O-N 2.9Å; E292-Q295 PolarHBondContact O-N 3.24Å; Q295-N297 VanDerWaalsContact C-N 3.32Å; Q295-N297 PolarHBondContact O-N 2.87Å; Q295-L298 WeakPolarHBondContact O-CB 3.35Å; Q295-L298 PolarHBondContact O-N 3.37Å; Q295-L298 VanDerWaalsContact O-N 3.11Å; Q295-I299 VanDerWaalsContact O-CG1 3.3Å; Q295-I299 WeakPolarHBondContact O-CG1 3.47Å; Q295-I299 PolarHBondContact O-N 3.2Å |
| 296 | A | 92.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 111.1 Ų | 111.1 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E292 I299 K300 | E292-A296 WeakPolarHBondContact O-CB 3.39Å; E292-A296 PolarHBondContact O-N 3.06Å; A296-I299 PolarHBondContact O-N 2.86Å; A296-K300 WeakPolarHBondContact O-CB 3.39Å; A296-K300 PolarHBondContact O-N 3.07Å |
| 297 | N | 92.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 112.5 Ų | 112.5 | 43% | 0.428 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 174.1 | -76.9 | -41.9 | 0 | 0 | 0 | 112.5 | L293 Q294 Q295 K300 K301 | L293-N297 VanDerWaalsContact CD2-ND2 3.32Å; L293-N297 WeakPolarHBondContact CD2-ND2 3.31Å; L293-N297 WeakPolarHBondContact O-CB 3.45Å; L293-N297 VanDerWaalsContact O-CG 3.28Å; L293-N297 PolarHBondContact O-N 3.5Å; L293-N297 PolarHBondContact O-ND2 2.85Å; Q294-N297 PolarHBondContact O-N 3.48Å; Q295-N297 VanDerWaalsContact C-N 3.32Å; Q295-N297 PolarHBondContact O-N 2.87Å; N297-K300 PolarHBondContact O-N 3.43Å; N297-K301 WeakPolarHBondContact O-CG 3.5Å; N297-K301 PolarHBondContact O-N 3.01Å |
| 298 | L | 92 | Very high | 92.5 | Very high | 100 Ų | 100 | 113.1 Ų | 113.1 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -47 | 175.4 | -177.2 | 63.6 | 0 | 0 | 0 | 111.2 | Q294 Q295 K300 K301 L302 | Q294-L298 WeakPolarHBondContact O-CB 3.34Å; Q294-L298 PolarHBondContact O-N 2.93Å; Q295-L298 WeakPolarHBondContact O-CB 3.35Å; Q295-L298 PolarHBondContact O-N 3.37Å; Q295-L298 VanDerWaalsContact O-N 3.11Å; L298-K300 VanDerWaalsContact C-N 3.29Å; L298-K300 PolarHBondContact O-N 3.41Å; L298-K301 PolarHBondContact O-N 3.31Å; L298-L302 HydrophobicContact CD1-CG 4.5Å; L298-L302 HydrophobicContact CG-CD1 4.12Å; L298-L302 WeakPolarHBondContact O-CB 3.44Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.43Å; L298-L302 PolarHBondContact O-N 3.4Å |
| 299 | I | 92.9 | Very high | 92.5 | Very high | 84 Ų | 84 | 114.2 Ų | 114.2 | 43% | 0.431 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 175.8 | -68.3 | 165.5 | 0 | 0 | 0 | 110.4 | Q295 A296 L302 R303 | Q295-I299 VanDerWaalsContact O-CG1 3.3Å; Q295-I299 WeakPolarHBondContact O-CG1 3.47Å; Q295-I299 PolarHBondContact O-N 3.2Å; A296-I299 PolarHBondContact O-N 2.86Å; I299-L302 PolarHBondContact O-N 3.49Å; I299-R303 HydrophobicContact CG2-CG 4.42Å; I299-R303 WeakPolarHBondContact O-CB 3.38Å; I299-R303 WeakPolarHBondContact O-CG 3.34Å; I299-R303 PolarHBondContact O-N 3.39Å |
| 300 | K | 93.3 | Very high | 92.5 | Very high | 126 Ų | 126 | 116 Ų | 116 | 55% | 0.548 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 176.4 | -169.4 | -175.9 | 178.3 | -171.5 | 0 | 111.8 | A296 N297 L298 L302 R303 E304 | A296-K300 WeakPolarHBondContact O-CB 3.39Å; A296-K300 PolarHBondContact O-N 3.07Å; N297-K300 PolarHBondContact O-N 3.43Å; L298-K300 VanDerWaalsContact C-N 3.29Å; L298-K300 PolarHBondContact O-N 3.41Å; K300-L302 VanDerWaalsContact C-N 3.31Å; K300-L302 PolarHBondContact O-N 2.87Å; K300-R303 PolarHBondContact O-N 3.42Å; K300-E304 PolarHBondContact O-N 2.85Å |
| 301 | K | 92.3 | Very high | 92.6 | Very high | 133 Ų | 133 | 116.4 Ų | 116.4 | 58% | 0.578 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 176 | -73.4 | 176.3 | -177.3 | -177.8 | 0 | 112.1 | N297 L298 E304 K305 | N297-K301 WeakPolarHBondContact O-CG 3.5Å; N297-K301 PolarHBondContact O-N 3.01Å; L298-K301 PolarHBondContact O-N 3.31Å; K301-E304 PolarHBondContact O-N 3.42Å; K301-K305 WeakPolarHBondContact O-CB 3.4Å; K301-K305 WeakPolarHBondContact O-CG 3.42Å; K301-K305 PolarHBondContact O-N 2.98Å |
| 302 | L | 92.5 | Very high | 92.7 | Very high | 96 Ų | 96 | 111.1 Ų | 111.1 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 177 | -71 | 172.6 | 0 | 0 | 0 | 111.4 | L298 I299 K300 E304 K305 E306 | L298-L302 HydrophobicContact CD1-CG 4.5Å; L298-L302 HydrophobicContact CG-CD1 4.12Å; L298-L302 WeakPolarHBondContact O-CB 3.44Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.43Å; L298-L302 PolarHBondContact O-N 3.4Å; I299-L302 PolarHBondContact O-N 3.49Å; K300-L302 VanDerWaalsContact C-N 3.31Å; K300-L302 PolarHBondContact O-N 2.87Å; L302-E304 PolarHBondContact O-N 2.92Å; L302-K305 PolarHBondContact O-N 2.77Å; L302-E306 WeakPolarHBondContact O-CB 3.23Å; L302-E306 PolarHBondContact O-N 3.26Å |
| 303 | R | 92.3 | Very high | 92.7 | Very high | 173 Ų | 173 | 109.4 Ų | 109.4 | 65% | 0.653 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.4 | -37.7 | 175.2 | -73.7 | 179 | 178.2 | -179 | 0.8 | 112.9 | I299 K300 K307 | I299-R303 HydrophobicContact CG2-CG 4.42Å; I299-R303 WeakPolarHBondContact O-CB 3.38Å; I299-R303 WeakPolarHBondContact O-CG 3.34Å; I299-R303 PolarHBondContact O-N 3.39Å; K300-R303 PolarHBondContact O-N 3.42Å; R303-K307 WeakPolarHBondContact O-CB 3.5Å; R303-K307 PolarHBondContact O-N 3.34Å |
| 304 | E | 94 | Very high | 92.8 | Very high | 112 Ų | 112 | 107.7 Ų | 107.7 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 172.8 | -88.5 | 165.2 | -172.4 | 0 | 0 | 111.3 | K300 K301 L302 K307 E308 | K300-E304 PolarHBondContact O-N 2.85Å; K301-E304 PolarHBondContact O-N 3.42Å; L302-E304 PolarHBondContact O-N 2.92Å; E304-K307 PolarHBondContact O-N 3.14Å; E304-E308 PolarHBondContact O-N 3.32Å |
| 305 | K | 92.2 | Very high | 92.8 | Very high | 130 Ų | 130 | 108.6 Ų | 108.6 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 174.9 | -77.3 | -175.3 | 174 | -170.3 | 0 | 112.9 | K301 L302 K307 E308 Q309 | K301-K305 WeakPolarHBondContact O-CB 3.4Å; K301-K305 WeakPolarHBondContact O-CG 3.42Å; K301-K305 PolarHBondContact O-N 2.98Å; L302-K305 PolarHBondContact O-N 2.77Å; K305-K307 VanDerWaalsContact C-N 3.33Å; K305-K307 PolarHBondContact O-N 2.82Å; K305-E308 PolarHBondContact O-N 2.95Å; K305-Q309 WeakPolarHBondContact O-CB 3.16Å; K305-Q309 WeakPolarHBondContact O-CG 3.31Å; K305-Q309 PolarHBondContact O-N 3.31Å |
| 306 | E | 94.4 | Very high | 92.8 | Very high | 123 Ų | 123 | 108.9 Ų | 108.9 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 176.2 | -175.3 | 179.4 | -161.5 | 0 | 0 | 110.5 | L302 E308 Q309 E310 | L302-E306 WeakPolarHBondContact O-CB 3.23Å; L302-E306 PolarHBondContact O-N 3.26Å; E306-E308 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 2.8Å; E306-Q309 PolarHBondContact O-N 3.11Å; E306-E310 WeakPolarHBondContact O-CB 3.37Å; E306-E310 PolarHBondContact O-N 3.27Å |
| 307 | K | 93.2 | Very high | 92.8 | Very high | 141 Ų | 141 | 111.1 Ų | 111.1 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.5 | -32.1 | 175.8 | -167.7 | 175.6 | -175.6 | 176.6 | 0 | 113.2 | R303 E304 K305 K311 | R303-K307 WeakPolarHBondContact O-CB 3.5Å; R303-K307 PolarHBondContact O-N 3.34Å; E304-K307 PolarHBondContact O-N 3.14Å; K305-K307 VanDerWaalsContact C-N 3.33Å; K305-K307 PolarHBondContact O-N 2.82Å; K307-K311 VanDerWaalsContact O-CG 3.31Å; K307-K311 WeakPolarHBondContact O-CG 3.47Å; K307-K311 PolarHBondContact O-N 3.5Å |
| 308 | E | 93.3 | Very high | 92.8 | Very high | 141 Ų | 141 | 111.1 Ų | 111.1 | 66% | 0.659 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.1 | -41.5 | 174.7 | -171.9 | 170.9 | -161 | 0 | 0 | 111.8 | E304 K305 E306 K311 A312 | E304-E308 PolarHBondContact O-N 3.32Å; K305-E308 PolarHBondContact O-N 2.95Å; E306-E308 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 2.8Å; E308-K311 PolarHBondContact O-N 3.24Å; E308-A312 PolarHBondContact O-N 3.39Å |
| 309 | Q | 91 | Very high | 92.9 | Very high | 129 Ų | 129 | 111.6 Ų | 111.6 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 174 | -74.1 | 176.9 | -16 | 0 | 0 | 111.8 | K305 E306 K311 A312 I313 | K305-Q309 WeakPolarHBondContact O-CB 3.16Å; K305-Q309 WeakPolarHBondContact O-CG 3.31Å; K305-Q309 PolarHBondContact O-N 3.31Å; E306-Q309 PolarHBondContact O-N 3.11Å; Q309-K311 VanDerWaalsContact C-N 3.33Å; Q309-K311 PolarHBondContact O-N 2.96Å; Q309-A312 WeakPolarHBondContact O-CB 3.44Å; Q309-A312 PolarHBondContact O-N 3.25Å; Q309-I313 WeakPolarHBondContact O-CG1 3.37Å; Q309-I313 PolarHBondContact O-N 2.97Å |
| 310 | E | 93.9 | Very high | 92.9 | Very high | 94 Ų | 94 | 111.5 Ų | 111.5 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 177.3 | -162.6 | 63.6 | -150.4 | 0 | 0 | 111.1 | E306 A312 I313 D314 | E306-E310 WeakPolarHBondContact O-CB 3.37Å; E306-E310 PolarHBondContact O-N 3.27Å; E310-A312 VanDerWaalsContact C-N 3.3Å; E310-A312 PolarHBondContact O-N 2.94Å; E310-I313 PolarHBondContact O-N 2.79Å; E310-D314 PolarHBondContact O-N 2.81Å |
| 311 | K | 93.2 | Very high | 92.8 | Very high | 125 Ų | 125 | 111.2 Ų | 111.2 | 54% | 0.543 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -33.9 | 173.5 | -74.5 | 176.3 | 179.6 | -175.4 | 0 | 113.1 | K307 E308 Q309 K315 | K307-K311 VanDerWaalsContact O-CG 3.31Å; K307-K311 WeakPolarHBondContact O-CG 3.47Å; K307-K311 PolarHBondContact O-N 3.5Å; E308-K311 PolarHBondContact O-N 3.24Å; Q309-K311 VanDerWaalsContact C-N 3.33Å; Q309-K311 PolarHBondContact O-N 2.96Å; K311-K315 VanDerWaalsContact O-CG 3.31Å; K311-K315 WeakPolarHBondContact O-CG 3.43Å; K311-K315 PolarHBondContact O-N 3.44Å |
| 312 | A | 92.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 110 Ų | 110 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E308 Q309 E310 K315 L316 | E308-A312 PolarHBondContact O-N 3.39Å; Q309-A312 WeakPolarHBondContact O-CB 3.44Å; Q309-A312 PolarHBondContact O-N 3.25Å; E310-A312 VanDerWaalsContact C-N 3.3Å; E310-A312 PolarHBondContact O-N 2.94Å; A312-K315 PolarHBondContact O-N 3.47Å; A312-L316 WeakPolarHBondContact O-CG 3.3Å; A312-L316 PolarHBondContact O-N 3.46Å |
| 313 | I | 93.3 | Very high | 92.7 | Very high | 73 Ų | 73 | 110.9 Ų | 110.9 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 175.1 | -70.2 | 167.2 | 0 | 0 | 0 | 110.7 | Q309 E310 K315 L316 K317 | Q309-I313 WeakPolarHBondContact O-CG1 3.37Å; Q309-I313 PolarHBondContact O-N 2.97Å; E310-I313 PolarHBondContact O-N 2.79Å; I313-K315 PolarHBondContact O-N 3.43Å; I313-L316 PolarHBondContact O-N 3.34Å; I313-K317 HydrophobicContact CG2-CD 4.04Å; I313-K317 VanDerWaalsContact CG2-CE 3.48Å; I313-K317 HydrophobicContact CG2-CG 4.33Å; I313-K317 WeakPolarHBondContact O-CB 3.49Å; I313-K317 WeakPolarHBondContact O-CG 3.4Å; I313-K317 PolarHBondContact O-N 3.46Å |
| 314 | D | 93.2 | Very high | 92.6 | Very high | 75 Ų | 75 | 107 Ų | 107 | 40% | 0.401 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 178 | -76.1 | -21.9 | 0 | 0 | 0 | 112 | E310 L316 K317 D318 | E310-D314 PolarHBondContact O-N 2.81Å; D314-L316 VanDerWaalsContact C-N 3.35Å; D314-L316 PolarHBondContact O-N 2.87Å; D314-K317 PolarHBondContact O-N 3.41Å; D314-D318 PolarHBondContact O-N 3.38Å |
| 315 | K | 92.9 | Very high | 92.6 | Very high | 146 Ų | 146 | 106.4 Ų | 106.4 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.4 | -43.1 | 173.2 | -74.5 | 174.5 | -178.2 | -179.1 | 0 | 112.2 | K311 A312 I313 D318 Q319 | K311-K315 VanDerWaalsContact O-CG 3.31Å; K311-K315 WeakPolarHBondContact O-CG 3.43Å; K311-K315 PolarHBondContact O-N 3.44Å; A312-K315 PolarHBondContact O-N 3.47Å; I313-K315 PolarHBondContact O-N 3.43Å; K315-D318 PolarHBondContact O-N 2.82Å; K315-Q319 WeakPolarHBondContact O-CB 3.41Å; K315-Q319 VanDerWaalsContact O-CG 3.27Å; K315-Q319 WeakPolarHBondContact O-CG 3.24Å; K315-Q319 PolarHBondContact O-N 2.88Å |
| 316 | L | 91.4 | Very high | 92.5 | Very high | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 177 | -72.5 | 171.5 | 0 | 0 | 0 | 111.6 | A312 I313 D314 Q319 V320 | A312-L316 WeakPolarHBondContact O-CG 3.3Å; A312-L316 PolarHBondContact O-N 3.46Å; I313-L316 PolarHBondContact O-N 3.34Å; D314-L316 VanDerWaalsContact C-N 3.35Å; D314-L316 PolarHBondContact O-N 2.87Å; L316-Q319 PolarHBondContact O-N 2.93Å; L316-V320 WeakPolarHBondContact O-CB 3.36Å; L316-V320 VanDerWaalsContact O-CG2 3.27Å; L316-V320 WeakPolarHBondContact O-CG2 3.33Å; L316-V320 PolarHBondContact O-N 3.03Å |
| 317 | K | 92.5 | Very high | 92.4 | Very high | 104 Ų | 104 | 106 Ų | 106 | 45% | 0.452 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 175 | -78.6 | 173.8 | -176.7 | 163 | 0 | 111.5 | I313 D314 V320 K321 | I313-K317 HydrophobicContact CG2-CD 4.04Å; I313-K317 VanDerWaalsContact CG2-CE 3.48Å; I313-K317 HydrophobicContact CG2-CG 4.33Å; I313-K317 WeakPolarHBondContact O-CB 3.49Å; I313-K317 WeakPolarHBondContact O-CG 3.4Å; I313-K317 PolarHBondContact O-N 3.46Å; D314-K317 PolarHBondContact O-N 3.41Å; K317-V320 PolarHBondContact O-N 3.48Å; K317-K321 WeakPolarHBondContact O-CG 3.43Å; K317-K321 PolarHBondContact O-N 2.84Å |
| 318 | D | 92.7 | Very high | 92.4 | Very high | 80 Ų | 80 | 104.6 Ų | 104.6 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.2 | -37 | 178 | -72.5 | -18.5 | 0 | 0 | 0 | 112 | D314 K315 K321 N322 | D314-D318 PolarHBondContact O-N 3.38Å; K315-D318 PolarHBondContact O-N 2.82Å; D318-K321 PolarHBondContact O-N 3.23Å; D318-K321 IonicContact OD1-NZ 3.25Å; D318-K321 PolarHBondContact OD1-NZ 3.36Å; D318-N322 WeakPolarHBondContact O-CB 3.31Å; D318-N322 VanDerWaalsContact O-CG 3.23Å; D318-N322 PolarHBondContact O-N 2.93Å; D318-N322 PolarHBondContact O-ND2 3.45Å |
| 319 | Q | 92.4 | Very high | 92.3 | Very high | 110 Ų | 110 | 102.7 Ų | 102.7 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 170.2 | -75.2 | 175.6 | -7.8 | 0 | 0 | 112.2 | K315 L316 N322 L323 | K315-Q319 WeakPolarHBondContact O-CB 3.41Å; K315-Q319 VanDerWaalsContact O-CG 3.27Å; K315-Q319 WeakPolarHBondContact O-CG 3.24Å; K315-Q319 PolarHBondContact O-N 2.88Å; L316-Q319 PolarHBondContact O-N 2.93Å; Q319-N322 PolarHBondContact O-N 3.26Å; Q319-L323 WeakPolarHBondContact O-CB 3.32Å; Q319-L323 WeakPolarHBondContact O-CG 3.24Å; Q319-L323 PolarHBondContact O-N 2.88Å |
| 320 | V | 92.7 | Very high | 92.5 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 176.7 | 168 | 0 | 0 | 0 | 0 | 111.4 | L316 K317 L323 N324 | L316-V320 WeakPolarHBondContact O-CB 3.36Å; L316-V320 VanDerWaalsContact O-CG2 3.27Å; L316-V320 WeakPolarHBondContact O-CG2 3.33Å; L316-V320 PolarHBondContact O-N 3.03Å; K317-V320 PolarHBondContact O-N 3.48Å; V320-L323 PolarHBondContact O-N 2.87Å; V320-N324 WeakPolarHBondContact O-CB 3.41Å; V320-N324 PolarHBondContact O-N 3.25Å; V320-N324 PolarHBondContact O-ND2 2.84Å |
| 321 | K | 92.6 | Very high | 92.3 | Very high | 121 Ų | 121 | 100 Ų | 100 | 53% | 0.526 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 174.2 | -71.5 | 171.9 | -169.2 | 162.4 | 0 | 111.5 | K317 D318 L323 N324 L325 | K317-K321 WeakPolarHBondContact O-CG 3.43Å; K317-K321 PolarHBondContact O-N 2.84Å; D318-K321 PolarHBondContact O-N 3.23Å; D318-K321 IonicContact OD1-NZ 3.25Å; D318-K321 PolarHBondContact OD1-NZ 3.36Å; K321-L323 PolarHBondContact O-N 2.87Å; K321-N324 PolarHBondContact O-N 3.34Å; K321-L325 WeakPolarHBondContact O-CG 3.34Å; K321-L325 PolarHBondContact O-N 3.45Å |
| 322 | N | 92.4 | Very high | 92.3 | Very high | 106 Ų | 106 | 98.7 Ų | 98.7 | 57% | 0.567 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -41.5 | 178.7 | -69.4 | -14.3 | 0 | 0 | 0 | 112 | D318 Q319 N324 L325 L326 | D318-N322 WeakPolarHBondContact O-CB 3.31Å; D318-N322 VanDerWaalsContact O-CG 3.23Å; D318-N322 PolarHBondContact O-N 2.93Å; D318-N322 PolarHBondContact O-ND2 3.45Å; Q319-N322 PolarHBondContact O-N 3.26Å; N322-N324 VanDerWaalsContact C-N 3.34Å; N322-N324 PolarHBondContact O-N 3.34Å; N322-L325 PolarHBondContact O-N 3.16Å; N322-L326 WeakPolarHBondContact O-CB 3.25Å; N322-L326 PolarHBondContact O-N 2.82Å |
| 323 | L | 90.8 | Very high | 92.2 | Very high | 116 Ų | 116 | 104.9 Ų | 104.9 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -36 | 175 | -74.8 | 172.7 | 0 | 0 | 0 | 112.4 | Q319 V320 K321 K327 | Q319-L323 WeakPolarHBondContact O-CB 3.32Å; Q319-L323 WeakPolarHBondContact O-CG 3.24Å; Q319-L323 PolarHBondContact O-N 2.88Å; V320-L323 PolarHBondContact O-N 2.87Å; K321-L323 PolarHBondContact O-N 2.87Å; L323-K327 VanDerWaalsContact O-CB 3.22Å; L323-K327 WeakPolarHBondContact O-CB 3.33Å; L323-K327 PolarHBondContact O-N 2.88Å |
| 324 | N | 90 | Very high | 92.3 | Very high | 92 Ų | 92 | 108 Ų | 108 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 175.9 | -80.1 | -34 | 0 | 0 | 0 | 112.4 | V320 K321 N322 K327 Q328 | V320-N324 WeakPolarHBondContact O-CB 3.41Å; V320-N324 PolarHBondContact O-N 3.25Å; V320-N324 PolarHBondContact O-ND2 2.84Å; K321-N324 PolarHBondContact O-N 3.34Å; N322-N324 VanDerWaalsContact C-N 3.34Å; N322-N324 PolarHBondContact O-N 3.34Å; N324-K327 PolarHBondContact O-N 2.96Å; N324-Q328 PolarHBondContact O-N 3.43Å |
| 325 | L | 92.7 | Very high | 92.3 | Very high | 98 Ų | 98 | 108.2 Ų | 108.2 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 173.2 | -72 | 173.6 | 0 | 0 | 0 | 110.8 | K321 N322 K327 Q328 E329 | K321-L325 WeakPolarHBondContact O-CG 3.34Å; K321-L325 PolarHBondContact O-N 3.45Å; N322-L325 PolarHBondContact O-N 3.16Å; L325-K327 VanDerWaalsContact C-N 3.27Å; L325-K327 PolarHBondContact O-N 3.45Å; L325-Q328 WeakPolarHBondContact O-CB 3.22Å; L325-Q328 PolarHBondContact O-N 3.4Å; L325-Q328 VanDerWaalsContact O-N 3.09Å; L325-E329 WeakPolarHBondContact O-CG 3.4Å; L325-E329 PolarHBondContact O-N 3.39Å |
| 326 | L | 91.2 | Very high | 92.3 | Very high | 96 Ų | 96 | 106.6 Ų | 106.6 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 177.6 | -167.9 | 67.3 | 0 | 0 | 0 | 112 | N322 E329 V330 | N322-L326 WeakPolarHBondContact O-CB 3.25Å; N322-L326 PolarHBondContact O-N 2.82Å; L326-E329 PolarHBondContact O-N 3.22Å; L326-V330 WeakPolarHBondContact O-CB 3.5Å; L326-V330 WeakPolarHBondContact O-CG2 3.41Å; L326-V330 PolarHBondContact O-N 3.2Å |
| 327 | K | 92.5 | Very high | 92.4 | Very high | 150 Ų | 150 | 108.9 Ų | 108.9 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | 174.2 | -179.4 | -177.6 | 175.7 | -174.3 | 0 | 112 | L323 N324 L325 S331 | L323-K327 VanDerWaalsContact O-CB 3.22Å; L323-K327 WeakPolarHBondContact O-CB 3.33Å; L323-K327 PolarHBondContact O-N 2.88Å; N324-K327 PolarHBondContact O-N 2.96Å; L325-K327 VanDerWaalsContact C-N 3.27Å; L325-K327 PolarHBondContact O-N 3.45Å; K327-S331 PolarHBondContact O-N 3.5Å |
| 328 | Q | 92 | Very high | 92.4 | Very high | 111 Ų | 111 | 107.8 Ų | 107.8 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 175.9 | -177.1 | 177.6 | -10.2 | 0 | 0 | 110.7 | N324 L325 V330 S331 E332 | N324-Q328 PolarHBondContact O-N 3.43Å; L325-Q328 WeakPolarHBondContact O-CB 3.22Å; L325-Q328 PolarHBondContact O-N 3.4Å; L325-Q328 VanDerWaalsContact O-N 3.09Å; Q328-V330 VanDerWaalsContact C-N 3.34Å; Q328-V330 PolarHBondContact O-N 3.5Å; Q328-S331 WeakPolarHBondContact O-CA 3.45Å; Q328-S331 WeakPolarHBondContact O-CB 3.32Å; Q328-S331 PolarHBondContact O-N 3.43Å; Q328-E332 PolarHBondContact NE2-OE1 2.98Å; Q328-E332 PolarHBondContact O-N 3.44Å |
| 329 | E | 92.5 | Very high | 92.4 | Very high | 100 Ų | 100 | 106.8 Ų | 106.8 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 175.1 | -71.4 | 176.2 | 178.4 | 0 | 0 | 111.2 | L325 L326 S331 E332 W333 | L325-E329 WeakPolarHBondContact O-CG 3.4Å; L325-E329 PolarHBondContact O-N 3.39Å; L326-E329 PolarHBondContact O-N 3.22Å; E329-S331 VanDerWaalsContact C-N 3.26Å; E329-S331 PolarHBondContact O-N 2.92Å; E329-E332 PolarHBondContact O-N 2.86Å; E329-W333 WeakPolarHBondContact O-CB 3.39Å; E329-W333 PolarHBondContact O-N 2.8Å |
| 330 | V | 93.6 | Very high | 92.4 | Very high | 90 Ų | 90 | 107.4 Ų | 107.4 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | 176 | 168.2 | 0 | 0 | 0 | 0 | 111.8 | L326 Q328 K334 | L326-V330 WeakPolarHBondContact O-CB 3.5Å; L326-V330 WeakPolarHBondContact O-CG2 3.41Å; L326-V330 PolarHBondContact O-N 3.2Å; Q328-V330 VanDerWaalsContact C-N 3.34Å; Q328-V330 PolarHBondContact O-N 3.5Å; V330-K334 WeakPolarHBondContact O-CB 3.37Å; V330-K334 PolarHBondContact O-N 3.29Å |
| 331 | S | 91.3 | Very high | 92.4 | Very high | 77 Ų | 77 | 108.1 Ų | 108.1 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 175.8 | -170 | 0 | 0 | 0 | 0 | 112.1 | K327 Q328 E329 K334 S335 | K327-S331 PolarHBondContact O-N 3.5Å; Q328-S331 WeakPolarHBondContact O-CA 3.45Å; Q328-S331 WeakPolarHBondContact O-CB 3.32Å; Q328-S331 PolarHBondContact O-N 3.43Å; E329-S331 VanDerWaalsContact C-N 3.26Å; E329-S331 PolarHBondContact O-N 2.92Å; S331-K334 PolarHBondContact O-N 3.48Å; S331-S335 PolarHBondContact O-N 2.94Å |
| 332 | E | 92.8 | Very high | 92.5 | Very high | 97 Ų | 97 | 109.6 Ų | 109.6 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 176.9 | -71 | 173.5 | -167.1 | 0 | 0 | 111.1 | Q328 E329 K334 S335 Q336 | Q328-E332 PolarHBondContact NE2-OE1 2.98Å; Q328-E332 PolarHBondContact O-N 3.44Å; E329-E332 PolarHBondContact O-N 2.86Å; E332-K334 VanDerWaalsContact C-N 3.29Å; E332-K334 PolarHBondContact O-N 2.9Å; E332-S335 PolarHBondContact O-N 3.06Å; E332-S335 VanDerWaalsContact O-N 3.13Å; E332-Q336 WeakPolarHBondContact O-CG 3.44Å; E332-Q336 PolarHBondContact O-N 2.95Å |
| 333 | W | 91.3 | Very high | 92.5 | Very high | 177 Ų | 177 | 109 Ų | 109 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.2 | -41.7 | 172.7 | -82.1 | 112.3 | 0 | 0 | 0 | 112.2 | E329 Q336 Y337 | E329-W333 WeakPolarHBondContact O-CB 3.39Å; E329-W333 PolarHBondContact O-N 2.8Å; W333-Q336 PolarHBondContact O-N 2.96Å; W333-Y337 VanDerWaalsContact O-CB 3.29Å; W333-Y337 WeakPolarHBondContact O-CB 3.34Å; W333-Y337 PolarHBondContact O-N 3.5Å |
| 334 | K | 94.4 | Very high | 92.6 | Very high | 138 Ų | 138 | 107 Ų | 107 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 175.4 | -173.8 | 178.4 | -177.9 | -178.5 | 0 | 111.8 | V330 S331 E332 Y337 E338 | V330-K334 WeakPolarHBondContact O-CB 3.37Å; V330-K334 PolarHBondContact O-N 3.29Å; S331-K334 PolarHBondContact O-N 3.48Å; E332-K334 VanDerWaalsContact C-N 3.29Å; E332-K334 PolarHBondContact O-N 2.9Å; K334-Y337 PolarHBondContact O-N 3.32Å; K334-E338 WeakPolarHBondContact O-CG 3.27Å; K334-E338 PolarHBondContact O-N 2.88Å |
| 335 | S | 93.3 | Very high | 92.7 | Very high | 80 Ų | 80 | 106.1 Ų | 106.1 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -41.4 | 177 | -170.3 | 0 | 0 | 0 | 0 | 112 | S331 E332 E338 A339 | S331-S335 PolarHBondContact O-N 2.94Å; E332-S335 PolarHBondContact O-N 3.06Å; E332-S335 VanDerWaalsContact O-N 3.13Å; S335-E338 PolarHBondContact O-N 3.43Å; S335-A339 WeakPolarHBondContact O-CB 3.41Å; S335-A339 PolarHBondContact O-N 3.48Å |
| 336 | Q | 92.3 | Very high | 92.8 | Very high | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 175.5 | -71.6 | -179.3 | 17 | 0 | 0 | 111.6 | E332 W333 A339 Q340 | E332-Q336 WeakPolarHBondContact O-CG 3.44Å; E332-Q336 PolarHBondContact O-N 2.95Å; W333-Q336 PolarHBondContact O-N 2.96Å; Q336-A339 PolarHBondContact O-N 2.9Å; Q336-Q340 VanDerWaalsContact O-CB 3.31Å; Q336-Q340 WeakPolarHBondContact O-CB 3.36Å; Q336-Q340 PolarHBondContact O-N 3.34Å |
| 337 | Y | 93.4 | Very high | 93 | Very high | 150 Ų | 150 | 105.8 Ų | 105.8 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -45.1 | 175.3 | 178.6 | -96.1 | 0 | 0 | 0 | 112 | W333 K334 Q340 K341 | W333-Y337 VanDerWaalsContact O-CB 3.29Å; W333-Y337 WeakPolarHBondContact O-CB 3.34Å; W333-Y337 PolarHBondContact O-N 3.5Å; K334-Y337 PolarHBondContact O-N 3.32Å; Y337-Q340 PolarHBondContact O-N 3.21Å; Y337-K341 VanDerWaalsContact O-CB 3.26Å; Y337-K341 WeakPolarHBondContact O-CB 3.1Å; Y337-K341 PolarHBondContact O-N 3.47Å |
| 338 | E | 92.6 | Very high | 93 | Very high | 81 Ų | 81 | 102.6 Ų | 102.6 | 38% | 0.379 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 176 | -71 | -68.2 | 172.6 | 0 | 0 | 112.2 | K334 S335 K341 K342 | K334-E338 WeakPolarHBondContact O-CG 3.27Å; K334-E338 PolarHBondContact O-N 2.88Å; S335-E338 PolarHBondContact O-N 3.43Å; E338-K341 PolarHBondContact O-N 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.46Å; E338-K342 PolarHBondContact O-N 2.8Å |
| 339 | A | 92.4 | Very high | 93.1 | Very high | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S335 Q336 K342 N343 | S335-A339 WeakPolarHBondContact O-CB 3.41Å; S335-A339 PolarHBondContact O-N 3.48Å; Q336-A339 PolarHBondContact O-N 2.9Å; A339-K342 PolarHBondContact O-N 3Å; A339-N343 PolarHBondContact O-N 2.88Å |
| 340 | Q | 93 | Very high | 93.2 | Very high | 123 Ų | 123 | 101.7 Ų | 101.7 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.4 | -37.2 | 176.7 | -173.2 | 171.5 | 9.5 | 0 | 0 | 111.8 | Q336 Y337 N343 N344 | Q336-Q340 VanDerWaalsContact O-CB 3.31Å; Q336-Q340 WeakPolarHBondContact O-CB 3.36Å; Q336-Q340 PolarHBondContact O-N 3.34Å; Y337-Q340 PolarHBondContact O-N 3.21Å; Q340-N343 PolarHBondContact O-N 3.35Å; Q340-N344 PolarHBondContact O-N 2.95Å; Q340-N344 PolarHBondContact O-ND2 2.8Å |
| 341 | K | 93.9 | Very high | 93.3 | Very high | 96 Ų | 96 | 102.1 Ų | 102.1 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 173.3 | -176.4 | -178.1 | 172.6 | -170.1 | 0 | 111.1 | Y337 E338 N343 N344 D345 | Y337-K341 VanDerWaalsContact O-CB 3.26Å; Y337-K341 WeakPolarHBondContact O-CB 3.1Å; Y337-K341 PolarHBondContact O-N 3.47Å; E338-K341 PolarHBondContact O-N 3.29Å; K341-N343 VanDerWaalsContact C-N 3.29Å; K341-N343 PolarHBondContact O-N 3.4Å; K341-N344 PolarHBondContact O-N 3.23Å; K341-N344 VanDerWaalsContact O-N 3.14Å; K341-D345 VanDerWaalsContact O-CG 3.23Å; K341-D345 PolarHBondContact O-N 2.88Å |
| 342 | K | 93.4 | Very high | 93.4 | Very high | 152 Ų | 152 | 103.5 Ų | 103.5 | 66% | 0.661 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.4 | -39 | 174.4 | -73.8 | -179.8 | 178.8 | -175.6 | 0 | 112.7 | E338 A339 D345 K346 | E338-K342 WeakPolarHBondContact O-CG 3.46Å; E338-K342 PolarHBondContact O-N 2.8Å; A339-K342 PolarHBondContact O-N 3Å; K342-D345 PolarHBondContact O-N 2.98Å; K342-K346 WeakPolarHBondContact O-CB 3.42Å; K342-K346 PolarHBondContact O-N 2.83Å |
| 343 | N | 93 | Very high | 93.5 | Very high | 93 Ų | 93 | 104.8 Ų | 104.8 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 174.9 | -173.4 | 57.7 | 0 | 0 | 0 | 111.9 | A339 Q340 K341 K346 I347 | A339-N343 PolarHBondContact O-N 2.88Å; Q340-N343 PolarHBondContact O-N 3.35Å; K341-N343 VanDerWaalsContact C-N 3.29Å; K341-N343 PolarHBondContact O-N 3.4Å; N343-K346 PolarHBondContact O-N 3.29Å; N343-I347 VanDerWaalsContact O-CG1 3.29Å; N343-I347 WeakPolarHBondContact O-CG1 3.41Å; N343-I347 PolarHBondContact O-N 2.92Å |
| 344 | N | 91.9 | Very high | 93.7 | Very high | 74 Ų | 74 | 100.3 Ų | 100.3 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 174.9 | -74.7 | -29.7 | 0 | 0 | 0 | 112.2 | Q340 K341 K346 I347 N348 | Q340-N344 PolarHBondContact O-N 2.95Å; Q340-N344 PolarHBondContact O-ND2 2.8Å; K341-N344 PolarHBondContact O-N 3.23Å; K341-N344 VanDerWaalsContact O-N 3.14Å; N344-K346 VanDerWaalsContact C-N 3.28Å; N344-K346 PolarHBondContact O-N 3.09Å; N344-I347 PolarHBondContact O-N 3.02Å; N344-N348 WeakPolarHBondContact O-CB 3.42Å; N344-N348 VanDerWaalsContact O-CG 3.23Å; N344-N348 PolarHBondContact O-N 2.91Å; N344-N348 PolarHBondContact O-ND2 3.46Å |
| 345 | D | 94.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 99.3 Ų | 99.3 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175 | -66 | -22.7 | 0 | 0 | 0 | 110.1 | K341 K342 N348 E349 | K341-D345 VanDerWaalsContact O-CG 3.23Å; K341-D345 PolarHBondContact O-N 2.88Å; K342-D345 PolarHBondContact O-N 2.98Å; D345-N348 PolarHBondContact O-N 3.21Å; D345-E349 PolarHBondContact O-N 3.4Å |
| 346 | K | 93.9 | Very high | 93.8 | Very high | 98 Ų | 98 | 99 Ų | 99 | 43% | 0.426 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 175.8 | -175 | 54.9 | -176.5 | 148 | 0 | 113.1 | K342 N343 N344 N348 E349 D350 | K342-K346 WeakPolarHBondContact O-CB 3.42Å; K342-K346 PolarHBondContact O-N 2.83Å; N343-K346 PolarHBondContact O-N 3.29Å; N344-K346 VanDerWaalsContact C-N 3.28Å; N344-K346 PolarHBondContact O-N 3.09Å; K346-N348 VanDerWaalsContact C-N 3.26Å; K346-N348 PolarHBondContact O-N 2.96Å; K346-E349 IonicContact NZ-OE2 3.5Å; K346-E349 PolarHBondContact O-N 3.09Å; K346-D350 WeakPolarHBondContact CE-OD1 3.32Å; K346-D350 IonicContact NZ-OD1 2.79Å; K346-D350 PolarHBondContact NZ-OD1 3.18Å; K346-D350 IonicContact NZ-OD2 2.75Å; K346-D350 VanDerWaalsContact O-CG 3.3Å; K346-D350 PolarHBondContact O-N 2.9Å |
| 347 | I | 94.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 95.5 Ų | 95.5 | 45% | 0.451 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 174.4 | -70.3 | 165.4 | 0 | 0 | 0 | 110.7 | N343 N344 D350 L351 | N343-I347 VanDerWaalsContact O-CG1 3.29Å; N343-I347 WeakPolarHBondContact O-CG1 3.41Å; N343-I347 PolarHBondContact O-N 2.92Å; N344-I347 PolarHBondContact O-N 3.02Å; I347-D350 PolarHBondContact O-N 2.83Å; I347-L351 VanDerWaalsContact O-CB 3.28Å; I347-L351 WeakPolarHBondContact O-CB 3.22Å; I347-L351 PolarHBondContact O-N 3.35Å |
| 348 | N | 92.7 | Very high | 93.9 | Very high | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 176.8 | -72.1 | -26.2 | 0 | 0 | 0 | 111.9 | N344 D345 K346 D350 L351 D352 | N344-N348 WeakPolarHBondContact O-CB 3.42Å; N344-N348 VanDerWaalsContact O-CG 3.23Å; N344-N348 PolarHBondContact O-N 2.91Å; N344-N348 PolarHBondContact O-ND2 3.46Å; D345-N348 PolarHBondContact O-N 3.21Å; K346-N348 VanDerWaalsContact C-N 3.26Å; K346-N348 PolarHBondContact O-N 2.96Å; N348-D350 VanDerWaalsContact C-N 3.33Å; N348-D350 PolarHBondContact O-N 3.49Å; N348-L351 PolarHBondContact O-N 3.01Å; N348-D352 PolarHBondContact O-N 3.32Å |
| 349 | E | 95.3 | Very high | 94 | Very high | 119 Ų | 119 | 91.4 Ų | 91.4 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.9 | -44.3 | 173.5 | -74.6 | 175.4 | -176.4 | 0 | 0 | 111.9 | D345 K346 D352 H353 | D345-E349 PolarHBondContact O-N 3.4Å; K346-E349 IonicContact NZ-OE2 3.5Å; K346-E349 PolarHBondContact O-N 3.09Å; E349-D352 PolarHBondContact O-N 3.32Å; E349-H353 WeakPolarHBondContact O-CB 3.36Å; E349-H353 PolarHBondContact O-N 3.42Å |
| 350 | D | 94.6 | Very high | 94.1 | Very high | 73 Ų | 73 | 93.8 Ų | 93.8 | 39% | 0.39 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.7 | -36.2 | 179.2 | -65.4 | -16.5 | 0 | 0 | 0 | 111.1 | K346 I347 N348 H353 V354 | K346-D350 WeakPolarHBondContact CE-OD1 3.32Å; K346-D350 IonicContact NZ-OD1 2.79Å; K346-D350 PolarHBondContact NZ-OD1 3.18Å; K346-D350 IonicContact NZ-OD2 2.75Å; K346-D350 VanDerWaalsContact O-CG 3.3Å; K346-D350 PolarHBondContact O-N 2.9Å; I347-D350 PolarHBondContact O-N 2.83Å; N348-D350 VanDerWaalsContact C-N 3.33Å; N348-D350 PolarHBondContact O-N 3.49Å; D350-H353 PolarHBondContact O-N 3.43Å; D350-V354 WeakPolarHBondContact O-CB 3.48Å; D350-V354 VanDerWaalsContact O-CG2 3.31Å; D350-V354 WeakPolarHBondContact O-CG2 3.47Å; D350-V354 PolarHBondContact O-N 3.07Å |
| 351 | L | 94.6 | Very high | 94.2 | Very high | 100 Ų | 100 | 93.7 Ų | 93.7 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 173.6 | -178.4 | 65.9 | 0 | 0 | 0 | 111.6 | I347 N348 H353 V354 Q355 | I347-L351 VanDerWaalsContact O-CB 3.28Å; I347-L351 WeakPolarHBondContact O-CB 3.22Å; I347-L351 PolarHBondContact O-N 3.35Å; N348-L351 PolarHBondContact O-N 3.01Å; L351-H353 VanDerWaalsContact C-N 3.31Å; L351-H353 PolarHBondContact O-N 2.94Å; L351-V354 PolarHBondContact O-N 2.78Å; L351-Q355 VanDerWaalsContact O-CB 3.3Å; L351-Q355 WeakPolarHBondContact O-CB 3.16Å; L351-Q355 PolarHBondContact O-N 3.15Å |
| 352 | D | 94.9 | Very high | 94.3 | Very high | 106 Ų | 106 | 95.4 Ų | 95.4 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.5 | -40.1 | 176.4 | -75.5 | -20 | 0 | 0 | 0 | 111.1 | N348 E349 Q355 S356 | N348-D352 PolarHBondContact O-N 3.32Å; E349-D352 PolarHBondContact O-N 3.32Å; D352-Q355 PolarHBondContact O-N 2.86Å; D352-S356 WeakPolarHBondContact O-CB 3.41Å; D352-S356 PolarHBondContact O-N 2.93Å |
| 353 | H | 94.9 | Very high | 94.3 | Very high | 124 Ų | 124 | 91 Ų | 91 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.8 | -48.5 | 175.9 | -172.2 | 55.8 | 0 | 0 | 0 | 111.7 | E349 D350 L351 Q355 S356 T357 | E349-H353 WeakPolarHBondContact O-CB 3.36Å; E349-H353 PolarHBondContact O-N 3.42Å; D350-H353 PolarHBondContact O-N 3.43Å; L351-H353 VanDerWaalsContact C-N 3.31Å; L351-H353 PolarHBondContact O-N 2.94Å; H353-Q355 VanDerWaalsContact C-N 3.34Å; H353-Q355 PolarHBondContact O-N 2.99Å; H353-S356 WeakPolarHBondContact O-CB 3.27Å; H353-S356 PolarHBondContact O-N 2.77Å; H353-T357 WeakPolarHBondContact O-CG2 3.48Å; H353-T357 PolarHBondContact O-N 3.41Å; H353-T357 PolarHBondContact O-OG1 2.91Å |
| 354 | V | 94.7 | Very high | 94.4 | Very high | 82 Ų | 82 | 91.4 Ų | 91.4 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | D350 L351 S356 T357 V358 | D350-V354 WeakPolarHBondContact O-CB 3.48Å; D350-V354 VanDerWaalsContact O-CG2 3.31Å; D350-V354 WeakPolarHBondContact O-CG2 3.47Å; D350-V354 PolarHBondContact O-N 3.07Å; L351-V354 PolarHBondContact O-N 2.78Å; V354-S356 VanDerWaalsContact C-N 3.31Å; V354-S356 PolarHBondContact O-N 2.91Å; V354-T357 WeakPolarHBondContact CA-OG1 3.35Å; V354-T357 PolarHBondContact O-N 2.86Å; V354-T357 PolarHBondContact O-OG1 3.22Å; V354-V358 HydrophobicContact CG1-CG2 4.21Å; V354-V358 WeakPolarHBondContact O-CB 3.48Å; V354-V358 VanDerWaalsContact O-CG2 3.3Å; V354-V358 WeakPolarHBondContact O-CG2 3.35Å; V354-V358 PolarHBondContact O-N 3.46Å |
| 355 | Q | 95.2 | Very high | 94.5 | Very high | 117 Ų | 117 | 92.3 Ų | 92.3 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -36.7 | 178.6 | -171.8 | 169.7 | -10.9 | 0 | 0 | 112.5 | L351 D352 H353 S359 | L351-Q355 VanDerWaalsContact O-CB 3.3Å; L351-Q355 WeakPolarHBondContact O-CB 3.16Å; L351-Q355 PolarHBondContact O-N 3.15Å; D352-Q355 PolarHBondContact O-N 2.86Å; H353-Q355 VanDerWaalsContact C-N 3.34Å; H353-Q355 PolarHBondContact O-N 2.99Å; Q355-S359 WeakPolarHBondContact O-CB 3.49Å; Q355-S359 PolarHBondContact O-N 3.02Å; Q355-S359 PolarHBondContact O-OG 3.46Å |
| 356 | S | 94.1 | Very high | 94.6 | Very high | 74 Ų | 74 | 93.4 Ų | 93.4 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 173 | -177.1 | 0 | 0 | 0 | 0 | 112 | D352 H353 V354 S359 Q360 | D352-S356 WeakPolarHBondContact O-CB 3.41Å; D352-S356 PolarHBondContact O-N 2.93Å; H353-S356 WeakPolarHBondContact O-CB 3.27Å; H353-S356 PolarHBondContact O-N 2.77Å; V354-S356 VanDerWaalsContact C-N 3.31Å; V354-S356 PolarHBondContact O-N 2.91Å; S356-S359 PolarHBondContact O-N 3.33Å; S356-Q360 PolarHBondContact O-N 3.46Å |
| 357 | T | 93.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 92.9 Ų | 92.9 | 24% | 0.239 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 177.5 | 61.6 | 0 | 0 | 0 | 0 | 112.6 | H353 V354 Q360 F361 | H353-T357 WeakPolarHBondContact O-CG2 3.48Å; H353-T357 PolarHBondContact O-N 3.41Å; H353-T357 PolarHBondContact O-OG1 2.91Å; V354-T357 WeakPolarHBondContact CA-OG1 3.35Å; V354-T357 PolarHBondContact O-N 2.86Å; V354-T357 PolarHBondContact O-OG1 3.22Å; T357-Q360 WeakPolarHBondContact O-CB 3.46Å; T357-Q360 PolarHBondContact O-N 3.37Å; T357-F361 VanDerWaalsContact O-CD2 3.24Å; T357-F361 WeakPolarHBondContact O-CD2 3.41Å; T357-F361 WeakPolarHBondContact O-CG 3.3Å; T357-F361 PolarHBondContact O-N 3.13Å |
| 358 | V | 95 | Very high | 94.4 | Very high | 76 Ų | 76 | 91.6 Ų | 91.6 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 173.9 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | V354 Q360 F361 Q362 | V354-V358 HydrophobicContact CG1-CG2 4.21Å; V354-V358 WeakPolarHBondContact O-CB 3.48Å; V354-V358 VanDerWaalsContact O-CG2 3.3Å; V354-V358 WeakPolarHBondContact O-CG2 3.35Å; V354-V358 PolarHBondContact O-N 3.46Å; V358-Q360 VanDerWaalsContact C-N 3.31Å; V358-Q360 PolarHBondContact O-N 3.44Å; V358-F361 PolarHBondContact O-N 3.41Å; V358-Q362 VanDerWaalsContact O-CB 3.26Å; V358-Q362 WeakPolarHBondContact O-CB 3.32Å; V358-Q362 PolarHBondContact O-N 2.92Å |
| 359 | S | 93.9 | Very high | 94.5 | Very high | 69 Ų | 69 | 92.5 Ų | 92.5 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 176.7 | -58 | 0 | 0 | 0 | 0 | 111.7 | Q355 S356 A363 | Q355-S359 WeakPolarHBondContact O-CB 3.49Å; Q355-S359 PolarHBondContact O-N 3.02Å; Q355-S359 PolarHBondContact O-OG 3.46Å; S356-S359 PolarHBondContact O-N 3.33Å; S359-A363 WeakPolarHBondContact O-CB 3.41Å; S359-A363 PolarHBondContact O-N 3.21Å |
| 360 | Q | 96.1 | Very high | 94.5 | Very high | 109 Ų | 109 | 90.7 Ų | 90.7 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 175.5 | -175.3 | -179 | 19.5 | 0 | 0 | 112.2 | S356 T357 V358 Q362 A363 Q364 | S356-Q360 PolarHBondContact O-N 3.46Å; T357-Q360 WeakPolarHBondContact O-CB 3.46Å; T357-Q360 PolarHBondContact O-N 3.37Å; V358-Q360 VanDerWaalsContact C-N 3.31Å; V358-Q360 PolarHBondContact O-N 3.44Å; Q360-Q362 VanDerWaalsContact C-N 3.32Å; Q360-Q362 PolarHBondContact O-N 3.2Å; Q360-A363 PolarHBondContact O-N 2.85Å; Q360-Q364 WeakPolarHBondContact O-CG 3.5Å; Q360-Q364 PolarHBondContact O-N 2.94Å |
| 361 | F | 94.1 | Very high | 94.6 | Very high | 121 Ų | 121 | 91 Ų | 91 | 53% | 0.531 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 177.2 | -71.1 | -45.1 | 0 | 0 | 0 | 112 | T357 V358 A363 Q364 I365 | T357-F361 VanDerWaalsContact O-CD2 3.24Å; T357-F361 WeakPolarHBondContact O-CD2 3.41Å; T357-F361 WeakPolarHBondContact O-CG 3.3Å; T357-F361 PolarHBondContact O-N 3.13Å; V358-F361 PolarHBondContact O-N 3.41Å; F361-A363 VanDerWaalsContact C-N 3.34Å; F361-A363 PolarHBondContact O-N 3.37Å; F361-Q364 PolarHBondContact O-N 3.48Å; F361-I365 WeakPolarHBondContact O-CB 3.48Å; F361-I365 VanDerWaalsContact O-CG1 3.26Å; F361-I365 WeakPolarHBondContact O-CG1 2.92Å; F361-I365 PolarHBondContact O-N 2.81Å |
| 362 | Q | 95.8 | Very high | 94.5 | Very high | 132 Ų | 132 | 90.3 Ų | 90.3 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -40 | 175.4 | -169.6 | 164.7 | 3.7 | 0 | 0 | 111.7 | V358 Q360 I365 E366 | V358-Q362 VanDerWaalsContact O-CB 3.26Å; V358-Q362 WeakPolarHBondContact O-CB 3.32Å; V358-Q362 PolarHBondContact O-N 2.92Å; Q360-Q362 VanDerWaalsContact C-N 3.32Å; Q360-Q362 PolarHBondContact O-N 3.2Å; Q362-I365 PolarHBondContact O-N 3.37Å; Q362-E366 PolarHBondContact O-N 2.88Å; Q362-E366 VanDerWaalsContact O-N 3.09Å |
| 363 | A | 93.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 89.9 Ų | 89.9 | 50% | 0.504 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S359 Q360 F361 E366 D367 | S359-A363 WeakPolarHBondContact O-CB 3.41Å; S359-A363 PolarHBondContact O-N 3.21Å; Q360-A363 PolarHBondContact O-N 2.85Å; F361-A363 VanDerWaalsContact C-N 3.34Å; F361-A363 PolarHBondContact O-N 3.37Å; A363-E366 PolarHBondContact O-N 3.16Å; A363-D367 PolarHBondContact O-N 3.43Å |
| 364 | Q | 96.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 88.9 Ų | 88.9 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 177 | -73.7 | 178.8 | -7 | 0 | 0 | 112.9 | Q360 F361 E366 S368 | Q360-Q364 WeakPolarHBondContact O-CG 3.5Å; Q360-Q364 PolarHBondContact O-N 2.94Å; F361-Q364 PolarHBondContact O-N 3.48Å; Q364-E366 VanDerWaalsContact C-N 3.33Å; Q364-S368 WeakPolarHBondContact O-CB 3.38Å; Q364-S368 PolarHBondContact O-N 2.86Å; Q364-S368 PolarHBondContact O-OG 3.37Å |
| 365 | I | 94.4 | Very high | 94.2 | Very high | 93 Ų | 93 | 91.5 Ų | 91.5 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.8 | -73.1 | 166.7 | 0 | 0 | 0 | 110.2 | F361 Q362 K369 | F361-I365 WeakPolarHBondContact O-CB 3.48Å; F361-I365 VanDerWaalsContact O-CG1 3.26Å; F361-I365 WeakPolarHBondContact O-CG1 2.92Å; F361-I365 PolarHBondContact O-N 2.81Å; Q362-I365 PolarHBondContact O-N 3.37Å; I365-K369 HydrophobicContact CG2-CD 4.36Å; I365-K369 VanDerWaalsContact O-CG 3.31Å; I365-K369 WeakPolarHBondContact O-CG 3.42Å; I365-K369 PolarHBondContact O-N 2.96Å |
| 366 | E | 94.6 | Very high | 94.1 | Very high | 97 Ų | 97 | 92.1 Ų | 92.1 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.5 | -39.8 | -179.5 | -155.5 | 60.1 | -157.9 | 0 | 0 | 112.2 | Q362 A363 Q364 K369 I370 | Q362-E366 PolarHBondContact O-N 2.88Å; Q362-E366 VanDerWaalsContact O-N 3.09Å; A363-E366 PolarHBondContact O-N 3.16Å; Q364-E366 VanDerWaalsContact C-N 3.33Å; E366-K369 PolarHBondContact O-N 3.31Å; E366-K369 WeakPolarHBondContact OE2-CD 3.16Å; E366-K369 IonicContact OE2-NZ 3.83Å; E366-K369 PolarHBondContact OE2-NZ 2.86Å; E366-I370 WeakPolarHBondContact O-CG1 3.47Å; E366-I370 PolarHBondContact O-N 3.41Å |
| 367 | D | 93.9 | Very high | 94.1 | Very high | 87 Ų | 87 | 94.3 Ų | 94.3 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 173 | -171 | 48.3 | 0 | 0 | 0 | 111.6 | A363 K369 I370 Q371 | A363-D367 PolarHBondContact O-N 3.43Å; D367-K369 VanDerWaalsContact C-N 3.32Å; D367-K369 PolarHBondContact O-N 3.34Å; D367-I370 PolarHBondContact O-N 2.87Å; D367-Q371 WeakPolarHBondContact O-CG 3.43Å; D367-Q371 PolarHBondContact O-N 3.17Å; D367-Q371 PolarHBondContact OD2-NE2 2.72Å |
| 368 | S | 91.1 | Very high | 94.2 | Very high | 62 Ų | 62 | 98.5 Ų | 98.5 | 43% | 0.434 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 176.4 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | Q364 Q371 C372 | Q364-S368 WeakPolarHBondContact O-CB 3.38Å; Q364-S368 PolarHBondContact O-N 2.86Å; Q364-S368 PolarHBondContact O-OG 3.37Å; S368-Q371 PolarHBondContact O-N 3.42Å; S368-C372 WeakPolarHBondContact O-CB 3.46Å; S368-C372 PolarHBondContact O-N 3.33Å; S368-C372 PolarHBondContact O-SG 2.82Å; S368-C372 VanDerWaalsContact O-SG 3.34Å |
| 369 | K | 95 | Very high | 94.1 | Very high | 102 Ų | 102 | 99.8 Ų | 99.8 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 174.4 | -75.5 | 172.5 | -169.8 | 164.8 | 0 | 112.4 | I365 E366 D367 Q371 C372 N373 | I365-K369 HydrophobicContact CG2-CD 4.36Å; I365-K369 VanDerWaalsContact O-CG 3.31Å; I365-K369 WeakPolarHBondContact O-CG 3.42Å; I365-K369 PolarHBondContact O-N 2.96Å; E366-K369 PolarHBondContact O-N 3.31Å; E366-K369 WeakPolarHBondContact OE2-CD 3.16Å; E366-K369 IonicContact OE2-NZ 3.83Å; E366-K369 PolarHBondContact OE2-NZ 2.86Å; D367-K369 VanDerWaalsContact C-N 3.32Å; D367-K369 PolarHBondContact O-N 3.34Å; K369-Q371 VanDerWaalsContact C-N 3.32Å; K369-C372 PolarHBondContact O-N 3.47Å; K369-N373 PolarHBondContact O-N 2.87Å; K369-N373 PolarHBondContact O-ND2 3.35Å |
| 370 | I | 94.8 | Very high | 94 | Very high | 80 Ų | 80 | 100.1 Ų | 100.1 | 41% | 0.41 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.9 | -68.9 | 165.9 | 0 | 0 | 0 | 109.7 | E366 D367 N373 Q374 | E366-I370 WeakPolarHBondContact O-CG1 3.47Å; E366-I370 PolarHBondContact O-N 3.41Å; D367-I370 PolarHBondContact O-N 2.87Å; I370-N373 PolarHBondContact O-N 3.43Å; I370-Q374 WeakPolarHBondContact O-CG 3.47Å; I370-Q374 PolarHBondContact O-N 2.97Å |
| 371 | Q | 96.1 | Very high | 93.8 | Very high | 80 Ų | 80 | 96.4 Ų | 96.4 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 175.9 | -68.1 | 176.5 | 19.2 | 0 | 0 | 111.9 | D367 S368 K369 N373 Q374 Y375 | D367-Q371 WeakPolarHBondContact O-CG 3.43Å; D367-Q371 PolarHBondContact O-N 3.17Å; D367-Q371 PolarHBondContact OD2-NE2 2.72Å; S368-Q371 PolarHBondContact O-N 3.42Å; K369-Q371 VanDerWaalsContact C-N 3.32Å; Q371-N373 VanDerWaalsContact C-N 3.29Å; Q371-N373 PolarHBondContact O-N 2.86Å; Q371-Q374 WeakPolarHBondContact O-CB 3.33Å; Q371-Q374 PolarHBondContact O-N 2.95Å; Q371-Q374 VanDerWaalsContact O-N 3.1Å; Q371-Y375 HydrophobicContact CB-CE2 4.29Å; Q371-Y375 WeakPolarHBondContact O-CD2 3.22Å; Q371-Y375 PolarHBondContact O-N 3.31Å |
| 372 | C | 92.2 | Very high | 93.8 | Very high | 85 Ų | 85 | 95.7 Ų | 95.7 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.1 | -42.1 | 174.4 | -76 | 0 | 0 | 0 | 0 | 112.4 | S368 K369 Y375 K376 | S368-C372 WeakPolarHBondContact O-CB 3.46Å; S368-C372 PolarHBondContact O-N 3.33Å; S368-C372 PolarHBondContact O-SG 2.82Å; S368-C372 VanDerWaalsContact O-SG 3.34Å; K369-C372 PolarHBondContact O-N 3.47Å; C372-Y375 PolarHBondContact O-N 2.98Å; C372-K376 WeakPolarHBondContact O-CB 3.34Å; C372-K376 PolarHBondContact O-N 3.39Å |
| 373 | N | 92.7 | Very high | 93.7 | Very high | 98 Ų | 98 | 93.9 Ų | 93.9 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 176.4 | -72.9 | -26.5 | 0 | 0 | 0 | 112.4 | K369 I370 Q371 K376 L377 | K369-N373 PolarHBondContact O-N 2.87Å; K369-N373 PolarHBondContact O-ND2 3.35Å; I370-N373 PolarHBondContact O-N 3.43Å; Q371-N373 VanDerWaalsContact C-N 3.29Å; Q371-N373 PolarHBondContact O-N 2.86Å; N373-K376 PolarHBondContact O-N 3.41Å; N373-L377 WeakPolarHBondContact O-CG 3.48Å; N373-L377 PolarHBondContact O-N 2.95Å |
| 374 | Q | 93.7 | Very high | 93.7 | Very high | 102 Ų | 102 | 97.1 Ų | 97.1 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 174.4 | -72.2 | 176.9 | 11.2 | 0 | 0 | 112.2 | I370 Q371 K376 L377 K378 | I370-Q374 WeakPolarHBondContact O-CG 3.47Å; I370-Q374 PolarHBondContact O-N 2.97Å; Q371-Q374 WeakPolarHBondContact O-CB 3.33Å; Q371-Q374 PolarHBondContact O-N 2.95Å; Q371-Q374 VanDerWaalsContact O-N 3.1Å; Q374-K376 VanDerWaalsContact C-N 3.32Å; Q374-L377 PolarHBondContact O-N 2.81Å; Q374-K378 WeakPolarHBondContact O-CG 3.37Å; Q374-K378 PolarHBondContact O-N 3.19Å |
| 375 | Y | 91.8 | Very high | 93.4 | Very high | 138 Ų | 138 | 95.9 Ų | 95.9 | 54% | 0.541 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.2 | -71.2 | -59.6 | 0 | 0 | 0 | 111.5 | Q371 C372 K378 I379 | Q371-Y375 HydrophobicContact CB-CE2 4.29Å; Q371-Y375 WeakPolarHBondContact O-CD2 3.22Å; Q371-Y375 PolarHBondContact O-N 3.31Å; C372-Y375 PolarHBondContact O-N 2.98Å; Y375-K378 PolarHBondContact O-N 3.19Å; Y375-I379 VanDerWaalsContact O-CG1 3.27Å; Y375-I379 WeakPolarHBondContact O-CG1 3.21Å; Y375-I379 PolarHBondContact O-N 3.02Å |
| 376 | K | 95.1 | Very high | 93.2 | Very high | 129 Ų | 129 | 94.1 Ų | 94.1 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.6 | -48.2 | 174.6 | -173.7 | 173.7 | 179.7 | 177.3 | 0 | 112.2 | C372 N373 Q374 K378 I379 D380 | C372-K376 WeakPolarHBondContact O-CB 3.34Å; C372-K376 PolarHBondContact O-N 3.39Å; N373-K376 PolarHBondContact O-N 3.41Å; Q374-K376 VanDerWaalsContact C-N 3.32Å; K376-K378 VanDerWaalsContact C-N 3.32Å; K376-K378 PolarHBondContact O-N 3.08Å; K376-I379 PolarHBondContact O-N 3.47Å; K376-D380 VanDerWaalsContact O-CG 3.27Å; K376-D380 PolarHBondContact O-N 2.91Å |
| 377 | L | 93.1 | Very high | 92.9 | Very high | 121 Ų | 121 | 92.1 Ų | 92.1 | 63% | 0.634 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62 | -37.3 | 176.8 | -73.3 | 172 | 0 | 0 | 0 | 113 | N373 Q374 A381 | N373-L377 WeakPolarHBondContact O-CG 3.48Å; N373-L377 PolarHBondContact O-N 2.95Å; Q374-L377 PolarHBondContact O-N 2.81Å; L377-A381 WeakPolarHBondContact O-CB 3.47Å; L377-A381 PolarHBondContact O-N 3.47Å |
| 378 | K | 95.3 | Very high | 92.8 | Very high | 127 Ų | 127 | 93.7 Ų | 93.7 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 174.9 | -73 | 175.5 | -177.6 | 177.9 | 0 | 111.7 | Q374 Y375 K376 A381 L382 | Q374-K378 WeakPolarHBondContact O-CG 3.37Å; Q374-K378 PolarHBondContact O-N 3.19Å; Y375-K378 PolarHBondContact O-N 3.19Å; K376-K378 VanDerWaalsContact C-N 3.32Å; K376-K378 PolarHBondContact O-N 3.08Å; K378-A381 PolarHBondContact O-N 3.44Å; K378-L382 WeakPolarHBondContact O-CG 3.27Å; K378-L382 PolarHBondContact O-N 2.88Å |
| 379 | I | 93.1 | Very high | 92.9 | Very high | 102 Ų | 102 | 94.9 Ų | 94.9 | 52% | 0.523 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.8 | -69.3 | 166.1 | 0 | 0 | 0 | 110 | Y375 K376 A381 L382 V383 | Y375-I379 VanDerWaalsContact O-CG1 3.27Å; Y375-I379 WeakPolarHBondContact O-CG1 3.21Å; Y375-I379 PolarHBondContact O-N 3.02Å; K376-I379 PolarHBondContact O-N 3.47Å; I379-A381 PolarHBondContact O-N 3.36Å; I379-L382 PolarHBondContact O-N 3.44Å; I379-V383 HydrophobicContact CG2-CG2 4.26Å; I379-V383 WeakPolarHBondContact O-CB 3.24Å; I379-V383 VanDerWaalsContact O-CG2 3.28Å; I379-V383 WeakPolarHBondContact O-CG2 3.31Å; I379-V383 PolarHBondContact O-N 3.37Å |
| 380 | D | 92.4 | Very high | 92.6 | Very high | 76 Ų | 76 | 90.9 Ų | 90.9 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -30.2 | 178.2 | -68.3 | -22.1 | 0 | 0 | 0 | 112.5 | K376 R384 | K376-D380 VanDerWaalsContact O-CG 3.27Å; K376-D380 PolarHBondContact O-N 2.91Å; D380-R384 PolarHBondContact O-N 2.79Å; D380-R384 PolarHBondContact O-NH2 2.98Å |
| 381 | A | 91.5 | Very high | 92.3 | Very high | 31 Ų | 31 | 89.7 Ų | 89.7 | 26% | 0.256 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.6 | -49.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L377 K378 I379 V383 R384 D385 | L377-A381 WeakPolarHBondContact O-CB 3.47Å; L377-A381 PolarHBondContact O-N 3.47Å; K378-A381 PolarHBondContact O-N 3.44Å; I379-A381 PolarHBondContact O-N 3.36Å; A381-V383 VanDerWaalsContact C-N 3.3Å; A381-V383 PolarHBondContact O-N 3.31Å; A381-R384 WeakPolarHBondContact O-CB 3.33Å; A381-R384 PolarHBondContact O-N 3.39Å; A381-R384 VanDerWaalsContact O-N 3.09Å; A381-D385 PolarHBondContact O-N 2.98Å |
| 382 | L | 93.9 | Very high | 92.1 | Very high | 107 Ų | 107 | 88.2 Ų | 88.2 | 56% | 0.56 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.9 | -38.6 | 177.3 | -68.7 | 173.6 | 0 | 0 | 0 | 112.1 | K378 I379 R384 D385 N386 | K378-L382 WeakPolarHBondContact O-CG 3.27Å; K378-L382 PolarHBondContact O-N 2.88Å; I379-L382 PolarHBondContact O-N 3.44Å; L382-R384 VanDerWaalsContact C-N 3.29Å; L382-R384 PolarHBondContact O-N 2.81Å; L382-D385 PolarHBondContact O-N 3.38Å; L382-N386 WeakPolarHBondContact O-CB 3.09Å; L382-N386 VanDerWaalsContact O-CG 3.26Å; L382-N386 PolarHBondContact O-N 3.36Å; L382-N386 PolarHBondContact O-OD1 3.42Å; L382-N386 VanDerWaalsContact O-OD1 3.07Å |
| 383 | V | 94.3 | Very high | 92 | Very high | 93 Ų | 93 | 86 Ų | 86 | 56% | 0.564 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.9 | -36.9 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | I379 A381 A387 | I379-V383 HydrophobicContact CG2-CG2 4.26Å; I379-V383 WeakPolarHBondContact O-CB 3.24Å; I379-V383 VanDerWaalsContact O-CG2 3.28Å; I379-V383 WeakPolarHBondContact O-CG2 3.31Å; I379-V383 PolarHBondContact O-N 3.37Å; A381-V383 VanDerWaalsContact C-N 3.3Å; A381-V383 PolarHBondContact O-N 3.31Å; V383-A387 WeakPolarHBondContact O-CB 3.25Å; V383-A387 PolarHBondContact O-N 2.87Å; V383-A387 VanDerWaalsContact O-N 3.08Å |
| 384 | R | 91.7 | Very high | 91.9 | Very high | 129 Ų | 129 | 81.5 Ų | 81.5 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.7 | -46.8 | 176.7 | -167.1 | -170 | -42.8 | 95.7 | 11.4 | 111.5 | D380 A381 L382 N386 A387 E388 | D380-R384 PolarHBondContact O-N 2.79Å; D380-R384 PolarHBondContact O-NH2 2.98Å; A381-R384 WeakPolarHBondContact O-CB 3.33Å; A381-R384 PolarHBondContact O-N 3.39Å; A381-R384 VanDerWaalsContact O-N 3.09Å; L382-R384 VanDerWaalsContact C-N 3.29Å; L382-R384 PolarHBondContact O-N 2.81Å; R384-N386 VanDerWaalsContact C-N 3.28Å; R384-N386 PolarHBondContact O-N 2.84Å; R384-A387 WeakPolarHBondContact O-CB 3.42Å; R384-A387 PolarHBondContact O-N 3.32Å; R384-A387 VanDerWaalsContact O-N 3.11Å; R384-E388 WeakPolarHBondContact O-CG 3.31Å; R384-E388 PolarHBondContact O-N 2.91Å |
| 385 | D | 91.4 | Very high | 91.6 | Very high | 75 Ų | 75 | 79.8 Ų | 79.8 | 40% | 0.401 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 180 | -65.2 | -0.9 | 0 | 0 | 0 | 110.5 | A381 L382 E388 L389 | A381-D385 PolarHBondContact O-N 2.98Å; L382-D385 PolarHBondContact O-N 3.38Å; D385-E388 PolarHBondContact O-N 3.13Å; D385-L389 WeakPolarHBondContact O-CB 3.32Å; D385-L389 WeakPolarHBondContact O-CG 3.46Å; D385-L389 PolarHBondContact O-N 2.85Å |
| 386 | N | 88.5 | Confident | 91.6 | Very high | 56 Ų | 56 | 76.8 Ų | 76.8 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 172.9 | -75.1 | 26.1 | 0 | 0 | 0 | 111.5 | L382 R384 E388 L389 T390 E760 | L382-N386 WeakPolarHBondContact O-CB 3.09Å; L382-N386 VanDerWaalsContact O-CG 3.26Å; L382-N386 PolarHBondContact O-N 3.36Å; L382-N386 PolarHBondContact O-OD1 3.42Å; L382-N386 VanDerWaalsContact O-OD1 3.07Å; R384-N386 VanDerWaalsContact C-N 3.28Å; R384-N386 PolarHBondContact O-N 2.84Å; N386-E388 VanDerWaalsContact C-N 3.28Å; N386-E388 PolarHBondContact O-N 3.46Å; N386-L389 PolarHBondContact O-N 3.24Å; N386-T390 WeakPolarHBondContact O-CB 3.41Å; N386-T390 WeakPolarHBondContact O-CG2 3.44Å; N386-T390 PolarHBondContact O-N 2.84Å; N386-T390 PolarHBondContact O-OG1 3.17Å; N386-T390 VanDerWaalsContact O-OG1 3.12Å; N386-E760 HydrophobicContact CB-CG 4.4Å; N386-E760 PolarHBondContact ND2-OE1 3.05Å; N386-E760 PolarHBondContact OD1-OE1 3.49Å |
| 387 | A | 90.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 71 Ų | 71 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | V383 R384 T390 A391 | V383-A387 WeakPolarHBondContact O-CB 3.25Å; V383-A387 PolarHBondContact O-N 2.87Å; V383-A387 VanDerWaalsContact O-N 3.08Å; R384-A387 WeakPolarHBondContact O-CB 3.42Å; R384-A387 PolarHBondContact O-N 3.32Å; R384-A387 VanDerWaalsContact O-N 3.11Å; A387-T390 WeakPolarHBondContact CA-OG1 3.29Å; A387-T390 PolarHBondContact O-OG1 3.46Å; A387-T390 VanDerWaalsContact O-OG1 3.13Å; A387-A391 VanDerWaalsContact O-CB 3.25Å; A387-A391 WeakPolarHBondContact O-CB 3.38Å; A387-A391 PolarHBondContact O-N 2.91Å |
| 388 | E | 91.2 | Very high | 90.9 | Very high | 119 Ų | 119 | 66.7 Ų | 66.7 | 56% | 0.556 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -71.8 | -44.3 | 175.3 | -71.3 | 177.4 | -163.6 | 0 | 0 | 111.9 | R384 D385 N386 T390 A391 A392 | R384-E388 WeakPolarHBondContact O-CG 3.31Å; R384-E388 PolarHBondContact O-N 2.91Å; D385-E388 PolarHBondContact O-N 3.13Å; N386-E388 VanDerWaalsContact C-N 3.28Å; N386-E388 PolarHBondContact O-N 3.46Å; E388-T390 VanDerWaalsContact C-N 3.26Å; E388-T390 PolarHBondContact O-N 3.25Å; E388-A391 CarbonylContact O-C 3.6Å; E388-A391 PolarHBondContact O-N 2.92Å; E388-A392 VanDerWaalsContact O-CB 3.27Å; E388-A392 WeakPolarHBondContact O-CB 3.36Å; E388-A392 PolarHBondContact O-N 3.3Å |
| 389 | L | 91.9 | Very high | 90.5 | Very high | 88 Ų | 88 | 66.1 Ų | 66.1 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -34.7 | 175.5 | -76.4 | 171.9 | 0 | 0 | 0 | 111.8 | D385 N386 A392 K393 E760 | D385-L389 WeakPolarHBondContact O-CB 3.32Å; D385-L389 WeakPolarHBondContact O-CG 3.46Å; D385-L389 PolarHBondContact O-N 2.85Å; N386-L389 PolarHBondContact O-N 3.24Å; L389-A392 PolarHBondContact O-N 2.87Å; L389-K393 PolarHBondContact O-N 3.09Å; L389-E760 HydrophobicContact CB-CG 4.48Å; L389-E760 WeakPolarHBondContact CD1-OE2 3.26Å |
| 390 | T | 89 | Confident | 90.3 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72.4 | -45.4 | 178.9 | 67 | 0 | 0 | 0 | 0 | 110.5 | N386 A387 E388 A392 A394 E760 E763 S764 L767 | N386-T390 WeakPolarHBondContact O-CB 3.41Å; N386-T390 WeakPolarHBondContact O-CG2 3.44Å; N386-T390 PolarHBondContact O-N 2.84Å; N386-T390 PolarHBondContact O-OG1 3.17Å; N386-T390 VanDerWaalsContact O-OG1 3.12Å; A387-T390 WeakPolarHBondContact CA-OG1 3.29Å; A387-T390 PolarHBondContact O-OG1 3.46Å; A387-T390 VanDerWaalsContact O-OG1 3.13Å; E388-T390 VanDerWaalsContact C-N 3.26Å; E388-T390 PolarHBondContact O-N 3.25Å; T390-A392 PolarHBondContact O-N 2.83Å; T390-A394 WeakPolarHBondContact O-CB 3.35Å; T390-A394 PolarHBondContact O-N 2.89Å; T390-E760 HydrophobicContact CG2-CB 4.44Å; T390-E760 HydrophobicContact CG2-CG 4.12Å; T390-E763 WeakPolarHBondContact CB-OE2 3.26Å; T390-E763 HydrophobicContact CG2-CB 3.79Å; T390-E763 HydrophobicContact CG2-CG 4.27Å; T390-E763 WeakPolarHBondContact CG2-OE2 3.31Å; T390-E763 PolarHBondContact OG1-OE2 2.7Å; T390-S764 VanDerWaalsContact O-CB 3.31Å; T390-S764 WeakPolarHBondContact O-CB 3.39Å; T390-L767 WeakPolarHBondContact O-CD1 3.4Å |
| 391 | A | 89.8 | Confident | 90.2 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64 | -18.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A387 E388 A394 | A387-A391 VanDerWaalsContact O-CB 3.25Å; A387-A391 WeakPolarHBondContact O-CB 3.38Å; A387-A391 PolarHBondContact O-N 2.91Å; E388-A391 CarbonylContact O-C 3.6Å; E388-A391 PolarHBondContact O-N 2.92Å; A391-A394 VanDerWaalsContact C-CB 3.46Å; A391-A394 WeakPolarHBondContact O-CB 3.44Å |
| 392 | A | 90.4 | Very high | 90.1 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -84.9 | -58.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E388 L389 T390 A394 T395 | E388-A392 VanDerWaalsContact O-CB 3.27Å; E388-A392 WeakPolarHBondContact O-CB 3.36Å; E388-A392 PolarHBondContact O-N 3.3Å; L389-A392 PolarHBondContact O-N 2.87Å; T390-A392 PolarHBondContact O-N 2.83Å; A392-A394 PolarHBondContact O-N 3.17Å; A392-T395 PolarHBondContact O-N 2.75Å; A392-T395 PolarHBondContact O-OG1 3.31Å |
| 393 | K | 91.6 | Very high | 89.8 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 178.8 | -154.7 | 171.3 | 106.3 | -97.1 | 0 | 107.6 | L389 T395 V396 E760 E761 S764 E768 | L389-K393 PolarHBondContact O-N 3.09Å; K393-T395 CarbonylContact O-C 3.59Å; K393-T395 PolarHBondContact O-N 3.4Å; K393-V396 WeakPolarHBondContact O-CA 3.21Å; K393-V396 WeakPolarHBondContact O-CB 3.41Å; K393-V396 PolarHBondContact O-N 3.44Å; K393-E760 PolarHBondContact NZ-O 3.17Å; K393-E761 HydrophobicContact CD-CG 4.39Å; K393-E761 WeakPolarHBondContact CE-O 3.36Å; K393-E761 PolarHBondContact NZ-O 3.28Å; K393-S764 CarbonylContact C-O 3.59Å; K393-S764 WeakPolarHBondContact CB-OG 3.33Å; K393-S764 WeakPolarHBondContact CD-OG 3.22Å; K393-S764 VanDerWaalsContact CE-OG 3.23Å; K393-S764 WeakPolarHBondContact CE-OG 3.16Å; K393-S764 WeakPolarHBondContact CG-OG 3.42Å; K393-S764 VanDerWaalsContact NZ-CB 3.31Å; K393-S764 PolarHBondContact NZ-OG 3.01Å; K393-E768 VanDerWaalsContact C-CG 3.41Å; K393-E768 HydrophobicContact CB-CG 4.17Å; K393-E768 HydrophobicContact CG-CG 3.74Å; K393-E768 WeakPolarHBondContact CG-OE1 3.31Å; K393-E768 WeakPolarHBondContact O-CB 3.33Å; K393-E768 WeakPolarHBondContact O-CG 3.43Å |
| 394 | A | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -25.9 | -45.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | T390 A391 A392 S764 L767 E768 | T390-A394 WeakPolarHBondContact O-CB 3.35Å; T390-A394 PolarHBondContact O-N 2.89Å; A391-A394 VanDerWaalsContact C-CB 3.46Å; A391-A394 WeakPolarHBondContact O-CB 3.44Å; A392-A394 PolarHBondContact O-N 3.17Å; A394-S764 WeakPolarHBondContact CA-O 3.44Å; A394-S764 PolarHBondContact N-O 2.6Å; A394-L767 HydrophobicContact CB-CB 3.3Å; A394-L767 HydrophobicContact CB-CD1 3.23Å; A394-L767 HydrophobicContact CB-CD2 3.53Å; A394-L767 HydrophobicContact CB-CG 3.45Å; A394-L767 VanDerWaalsContact CB-CG 3.45Å; A394-L767 CarbonylContact O-C 3.53Å; A394-E768 WeakPolarHBondContact O-CA 3.18Å; A394-E768 WeakPolarHBondContact O-CB 3.46Å; A394-E768 PolarHBondContact O-N 3.46Å |
| 395 | T | 87.1 | Confident | 89.3 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -82.2 | -26 | -175.6 | 58.4 | 0 | 0 | 0 | 0 | 112 | A392 K393 H398 E399 | A392-T395 PolarHBondContact O-N 2.75Å; A392-T395 PolarHBondContact O-OG1 3.31Å; K393-T395 CarbonylContact O-C 3.59Å; K393-T395 PolarHBondContact O-N 3.4Å; T395-H398 WeakPolarHBondContact O-CB 3.41Å; T395-H398 PolarHBondContact O-N 2.96Å; T395-E399 WeakPolarHBondContact O-CG 3.43Å; T395-E399 PolarHBondContact O-N 2.86Å |
| 396 | V | 90.5 | Very high | 89.1 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -77.6 | -51.2 | -167.7 | 167.9 | 0 | 0 | 0 | 0 | 115.5 | K393 H398 E399 L400 E768 | K393-V396 WeakPolarHBondContact O-CA 3.21Å; K393-V396 WeakPolarHBondContact O-CB 3.41Å; K393-V396 PolarHBondContact O-N 3.44Å; V396-H398 PolarHBondContact O-N 3.46Å; V396-E399 CarbonylContact O-C 3.51Å; V396-E399 WeakPolarHBondContact O-CA 3.28Å; V396-E399 VanDerWaalsContact O-CB 3.26Å; V396-E399 WeakPolarHBondContact O-CB 3.5Å; V396-E399 PolarHBondContact O-N 3.3Å; V396-E399 VanDerWaalsContact O-N 3.13Å; V396-L400 PolarHBondContact O-N 2.99Å; V396-E768 HydrophobicContact CB-CG 4.47Å; V396-E768 WeakPolarHBondContact CB-OE1 3.35Å; V396-E768 WeakPolarHBondContact CG1-OE1 3.28Å |
| 397 | E | 89.3 | Confident | 89.1 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.2 | -18.3 | 166.9 | -40.4 | 86.7 | -136.2 | 0 | 0 | 107.9 | E399 L400 Q401 L765 E768 L769 V772 | E397-E399 CarbonylContact O-C 3.23Å; E397-E399 PolarHBondContact O-N 2.82Å; E397-L400 VanDerWaalsContact C-N 3.33Å; E397-L400 VanDerWaalsContact CA-CB 3.4Å; E397-L400 HydrophobicContact CB-CB 3.76Å; E397-L400 HydrophobicContact CB-CD2 4.16Å; E397-L400 HydrophobicContact CG-CB 4.43Å; E397-L400 HydrophobicContact CG-CD2 3.92Å; E397-L400 CarbonylContact O-C 3.59Å; E397-L400 PolarHBondContact O-N 3.14Å; E397-Q401 HydrophobicContact CB-CB 4.3Å; E397-Q401 PolarHBondContact O-N 3.03Å; E397-L765 HydrophobicContact CG-CD2 4.15Å; E397-L765 WeakPolarHBondContact OE1-CA 3.32Å; E397-L765 VanDerWaalsContact OE1-CB 3.27Å; E397-L765 WeakPolarHBondContact OE1-CB 3.23Å; E397-L765 WeakPolarHBondContact OE1-CD2 3.46Å; E397-L765 WeakPolarHBondContact OE1-CG 3.3Å; E397-L765 WeakPolarHBondContact OE2-CA 3.47Å; E397-E768 VanDerWaalsContact C-CB 3.44Å; E397-E768 CarbonylContact C-O 3.51Å; E397-E768 VanDerWaalsContact CA-CD 3.44Å; E397-E768 WeakPolarHBondContact CA-OE2 3.38Å; E397-E768 VanDerWaalsContact CB-C 3.42Å; E397-E768 HydrophobicContact CB-CB 3.28Å; E397-E768 HydrophobicContact CB-CG 3.67Å; E397-E768 WeakPolarHBondContact CB-OE2 3.49Å; E397-E768 HydrophobicContact CG-CB 3.82Å; E397-E768 VanDerWaalsContact CG-CD 3.47Å; E397-E768 HydrophobicContact CG-CG 3.65Å; E397-E768 WeakPolarHBondContact CG-OE2 3.33Å; E397-E768 PolarHBondContact N-OE1 3.44Å; E397-E768 PolarHBondContact N-OE2 3.47Å; E397-E768 WeakPolarHBondContact OE1-CG 3.32Å; E397-E768 VanDerWaalsContact OE2-CA 3.23Å; E397-E768 WeakPolarHBondContact OE2-CA 3.37Å; E397-E768 WeakPolarHBondContact OE2-CB 3.38Å; E397-E768 WeakPolarHBondContact OE2-CG 3.48Å; E397-L769 PolarHBondContact OE2-N 2.92Å; E397-V772 WeakPolarHBondContact O-CG2 3.44Å |
| 398 | H | 85.7 | Confident | 89.1 | Confident | 31 Ų | 31 | 62 Ų | 62 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.7 | -41.8 | 169.3 | 154.5 | -68.3 | 0 | 0 | 0 | 107.4 | T395 V396 V402 E768 D771 V772 M775 | T395-H398 WeakPolarHBondContact O-CB 3.41Å; T395-H398 PolarHBondContact O-N 2.96Å; V396-H398 PolarHBondContact O-N 3.46Å; H398-V402 VanDerWaalsContact O-CB 3.3Å; H398-V402 WeakPolarHBondContact O-CB 3.25Å; H398-V402 WeakPolarHBondContact O-CG2 3.4Å; H398-V402 PolarHBondContact O-N 3.29Å; H398-E768 WeakPolarHBondContact CA-O 3.36Å; H398-E768 VanDerWaalsContact N-CB 3.3Å; H398-E768 PolarHBondContact N-O 3.32Å; H398-D771 HydrophobicContact CB-CB 3.39Å; H398-D771 WeakPolarHBondContact CB-OD2 3.32Å; H398-D771 WeakPolarHBondContact CD2-CA 3.48Å; H398-D771 WeakPolarHBondContact CD2-CB 3.38Å; H398-D771 PolarHBondContact CD2-O 3.31Å; H398-D771 IonicContact CD2-OD2 2.67Å; H398-D771 PolarHBondContact CD2-OD2 3.44Å; H398-D771 VanDerWaalsContact CD2-OD2 3.25Å; H398-D771 VanDerWaalsContact CG-CA 3.46Å; H398-D771 VanDerWaalsContact CG-CG 3.45Å; H398-D771 IonicContact CG-OD2 2.94Å; H398-D771 IonicContact ND1-OD2 3.08Å; H398-D771 PolarHBondContact NE2-O 2.89Å; H398-V772 VanDerWaalsContact O-CG2 3.25Å; H398-V772 WeakPolarHBondContact O-CG2 3.46Å; H398-M775 WeakPolarHBondContact CE1-CE 3.29Å; H398-M775 WeakPolarHBondContact CE1-CG 3.31Å; H398-M775 PolarHBondContact CE1-SD 3.27Å; H398-M775 VanDerWaalsContact ND1-CE 3.34Å; H398-M775 WeakPolarHBondContact ND1-CE 3.4Å; H398-M775 WeakPolarHBondContact NE2-CG 3.41Å |
| 399 | E | 87.1 | Confident | 89.1 | Confident | 115 Ų | 115 | 59.6 Ų | 59.6 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.7 | -47.3 | 173 | -58.5 | 168.9 | 168.9 | 0 | 0 | 111.1 | T395 V396 E397 V402 F403 M775 | T395-E399 WeakPolarHBondContact O-CG 3.43Å; T395-E399 PolarHBondContact O-N 2.86Å; V396-E399 CarbonylContact O-C 3.51Å; V396-E399 WeakPolarHBondContact O-CA 3.28Å; V396-E399 VanDerWaalsContact O-CB 3.26Å; V396-E399 WeakPolarHBondContact O-CB 3.5Å; V396-E399 PolarHBondContact O-N 3.3Å; V396-E399 VanDerWaalsContact O-N 3.13Å; E397-E399 CarbonylContact O-C 3.23Å; E397-E399 PolarHBondContact O-N 2.82Å; E399-V402 PolarHBondContact O-N 2.84Å; E399-F403 WeakPolarHBondContact O-CB 3.35Å; E399-F403 PolarHBondContact O-N 3.39Å; E399-M775 HydrophobicContact CG-CE 4.38Å |
| 400 | L | 88.5 | Confident | 88.9 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.6 | -52.6 | -175.7 | -173.4 | 89.4 | 0 | 0 | 0 | 114 | V396 E397 V402 F403 K404 | V396-L400 PolarHBondContact O-N 2.99Å; E397-L400 VanDerWaalsContact C-N 3.33Å; E397-L400 VanDerWaalsContact CA-CB 3.4Å; E397-L400 HydrophobicContact CB-CB 3.76Å; E397-L400 HydrophobicContact CB-CD2 4.16Å; E397-L400 HydrophobicContact CG-CB 4.43Å; E397-L400 HydrophobicContact CG-CD2 3.92Å; E397-L400 CarbonylContact O-C 3.59Å; E397-L400 PolarHBondContact O-N 3.14Å; L400-V402 PolarHBondContact O-N 3Å; L400-F403 CarbonylContact O-C 3.6Å; L400-F403 VanDerWaalsContact O-CB 3.28Å; L400-F403 WeakPolarHBondContact O-CB 3.29Å; L400-F403 PolarHBondContact O-N 3.36Å; L400-K404 WeakPolarHBondContact O-CG 3.46Å; L400-K404 PolarHBondContact O-N 2.69Å |
| 401 | Q | 90 | Very high | 89 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 20% | 0.201 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.6 | -22.7 | -173.2 | 159.9 | 50.7 | 59.6 | 0 | 0 | 107 | E397 K404 D405 L769 V772 F776 | E397-Q401 HydrophobicContact CB-CB 4.3Å; E397-Q401 PolarHBondContact O-N 3.03Å; Q401-K404 HydrophobicContact CB-CD 4.37Å; Q401-K404 WeakPolarHBondContact O-CA 3.44Å; Q401-K404 WeakPolarHBondContact O-CB 3.38Å; Q401-K404 PolarHBondContact O-N 3.21Å; Q401-K404 VanDerWaalsContact O-N 3.08Å; Q401-D405 PolarHBondContact NE2-OD1 3.49Å; Q401-D405 PolarHBondContact O-N 3.49Å; Q401-D405 VanDerWaalsContact O-N 3.09Å; Q401-L769 HydrophobicContact CG-CG 4.25Å; Q401-V772 VanDerWaalsContact C-CG2 3.49Å; Q401-V772 HydrophobicContact CB-CB 3.73Å; Q401-V772 HydrophobicContact CB-CG1 3.67Å; Q401-V772 HydrophobicContact CB-CG2 2.99Å; Q401-V772 HydrophobicContact CG-CB 3.5Å; Q401-V772 VanDerWaalsContact CG-CB 3.5Å; Q401-V772 HydrophobicContact CG-CG1 3.29Å; Q401-V772 HydrophobicContact CG-CG2 3.32Å; Q401-V772 WeakPolarHBondContact O-CG1 3.45Å; Q401-F776 WeakPolarHBondContact O-CE2 3.49Å; Q401-F776 WeakPolarHBondContact O-CZ 3.33Å |
| 402 | V | 89.2 | Confident | 89 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 169.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | H398 E399 L400 K404 L406 V772 M775 F776 | H398-V402 VanDerWaalsContact O-CB 3.3Å; H398-V402 WeakPolarHBondContact O-CB 3.25Å; H398-V402 WeakPolarHBondContact O-CG2 3.4Å; H398-V402 PolarHBondContact O-N 3.29Å; E399-V402 PolarHBondContact O-N 2.84Å; L400-V402 PolarHBondContact O-N 3Å; V402-K404 PolarHBondContact O-N 3.16Å; V402-L406 HydrophobicContact CG1-CD1 3.86Å; V402-L406 HydrophobicContact CG1-CG 4.24Å; V402-L406 WeakPolarHBondContact O-CB 3.44Å; V402-L406 WeakPolarHBondContact O-CG 3.3Å; V402-L406 PolarHBondContact O-N 3.49Å; V402-V772 HydrophobicContact CG2-CB 3.93Å; V402-V772 HydrophobicContact CG2-CG1 3.74Å; V402-V772 HydrophobicContact CG2-CG2 4.11Å; V402-V772 VanDerWaalsContact CG2-O 3.31Å; V402-V772 WeakPolarHBondContact CG2-O 3.26Å; V402-V772 VanDerWaalsContact N-CG1 3.29Å; V402-M775 HydrophobicContact CB-CB 4.05Å; V402-M775 HydrophobicContact CB-CE 3.35Å; V402-M775 HydrophobicContact CB-CG 4.21Å; V402-M775 HydrophobicContact CB-SD 4.16Å; V402-M775 HydrophobicContact CG1-CB 3.56Å; V402-M775 HydrophobicContact CG1-CE 3.41Å; V402-M775 VanDerWaalsContact CG1-CE 3.41Å; V402-M775 HydrophobicContact CG1-CG 3.96Å; V402-M775 HydrophobicContact CG1-SD 3.66Å; V402-M775 HydrophobicContact CG2-CB 3.33Å; V402-M775 HydrophobicContact CG2-CE 3.57Å; V402-M775 HydrophobicContact CG2-CG 3.53Å; V402-M775 HydrophobicContact CG2-SD 4.12Å; V402-F776 HydrophobicContact CB-CZ 4.32Å; V402-F776 HydrophobicContact CG1-CZ 4.46Å; V402-F776 HydrophobicContact CG2-CE2 4.32Å; V402-F776 HydrophobicContact CG2-CZ 4.48Å; V402-F776 WeakPolarHBondContact O-CE1 3.47Å; V402-F776 WeakPolarHBondContact O-CZ 3.45Å |
| 403 | F | 86.9 | Confident | 89 | Confident | 138 Ų | 138 | 64.9 Ų | 64.9 | 61% | 0.605 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.3 | -39.5 | 169.6 | 180 | -92.2 | 0 | 0 | 0 | 111 | E399 L400 N407 | E399-F403 WeakPolarHBondContact O-CB 3.35Å; E399-F403 PolarHBondContact O-N 3.39Å; L400-F403 CarbonylContact O-C 3.6Å; L400-F403 VanDerWaalsContact O-CB 3.28Å; L400-F403 WeakPolarHBondContact O-CB 3.29Å; L400-F403 PolarHBondContact O-N 3.36Å; F403-N407 WeakPolarHBondContact O-CB 3.49Å; F403-N407 PolarHBondContact O-N 2.87Å |
| 404 | K | 89.2 | Confident | 89 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -59.5 | 178.1 | -71.7 | 174.5 | -176 | 168.9 | 0 | 113.6 | L400 Q401 V402 L406 N407 S408 | L400-K404 WeakPolarHBondContact O-CG 3.46Å; L400-K404 PolarHBondContact O-N 2.69Å; Q401-K404 HydrophobicContact CB-CD 4.37Å; Q401-K404 WeakPolarHBondContact O-CA 3.44Å; Q401-K404 WeakPolarHBondContact O-CB 3.38Å; Q401-K404 PolarHBondContact O-N 3.21Å; Q401-K404 VanDerWaalsContact O-N 3.08Å; V402-K404 PolarHBondContact O-N 3.16Å; K404-L406 VanDerWaalsContact C-N 3.33Å; K404-L406 PolarHBondContact O-N 2.79Å; K404-N407 PolarHBondContact O-N 3.38Å; K404-S408 WeakPolarHBondContact O-CB 3.2Å; K404-S408 PolarHBondContact O-N 2.77Å |
| 405 | D | 87.6 | Confident | 89 | Confident | 56 Ų | 56 | 72.9 Ų | 72.9 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.3 | -20.3 | 179.4 | -16.7 | -24.5 | 0 | 0 | 0 | 113.4 | Q401 K409 F776 | Q401-D405 PolarHBondContact NE2-OD1 3.49Å; Q401-D405 PolarHBondContact O-N 3.49Å; Q401-D405 VanDerWaalsContact O-N 3.09Å; D405-K409 VanDerWaalsContact O-CB 3.26Å; D405-K409 WeakPolarHBondContact O-CB 3.47Å; D405-K409 WeakPolarHBondContact O-CG 3.39Å; D405-K409 PolarHBondContact O-N 2.99Å; D405-F776 VanDerWaalsContact C-CZ 3.44Å; D405-F776 HydrophobicContact CB-CD1 3.84Å; D405-F776 HydrophobicContact CB-CD2 4Å; D405-F776 HydrophobicContact CB-CE1 3.23Å; D405-F776 HydrophobicContact CB-CE2 3.32Å; D405-F776 HydrophobicContact CB-CG 4.22Å; D405-F776 HydrophobicContact CB-CZ 2.92Å; D405-F776 VanDerWaalsContact CG-CD2 3.44Å; D405-F776 WeakPolarHBondContact OD1-CE2 3.38Å; D405-F776 WeakPolarHBondContact OD2-CD2 3.48Å; D405-F776 WeakPolarHBondContact OD2-CE2 3.44Å; D405-F776 WeakPolarHBondContact OD2-CG 3.3Å; D405-F776 WeakPolarHBondContact OD2-CZ 3.47Å |
| 406 | L | 87.5 | Confident | 89.3 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 41% | 0.414 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 166.6 | -89.2 | 176.2 | 0 | 0 | 0 | 110.2 | V402 K404 S408 K409 S410 F776 Q779 | V402-L406 HydrophobicContact CG1-CD1 3.86Å; V402-L406 HydrophobicContact CG1-CG 4.24Å; V402-L406 WeakPolarHBondContact O-CB 3.44Å; V402-L406 WeakPolarHBondContact O-CG 3.3Å; V402-L406 PolarHBondContact O-N 3.49Å; K404-L406 VanDerWaalsContact C-N 3.33Å; K404-L406 PolarHBondContact O-N 2.79Å; L406-S408 VanDerWaalsContact C-N 3.33Å; L406-S408 PolarHBondContact O-N 3.43Å; L406-K409 PolarHBondContact O-N 3.16Å; L406-S410 WeakPolarHBondContact O-CB 3.41Å; L406-S410 PolarHBondContact O-N 3.45Å; L406-F776 HydrophobicContact CG-CE1 4.36Å; L406-F776 VanDerWaalsContact N-CE1 3.25Å; L406-Q779 VanDerWaalsContact CD1-NE2 3.33Å |
| 407 | N | 88.7 | Confident | 89.4 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 36% | 0.358 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 177.7 | -172.7 | 37.7 | 0 | 0 | 0 | 111.5 | F403 K404 K411 | F403-N407 WeakPolarHBondContact O-CB 3.49Å; F403-N407 PolarHBondContact O-N 2.87Å; K404-N407 PolarHBondContact O-N 3.38Å; N407-K411 WeakPolarHBondContact O-CB 3.23Å; N407-K411 WeakPolarHBondContact O-CG 3.37Å; N407-K411 PolarHBondContact O-N 2.83Å; N407-K411 WeakPolarHBondContact OD1-CE 3.47Å |
| 408 | S | 89.3 | Confident | 89.6 | Confident | 69 Ų | 69 | 85.5 Ų | 85.5 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 175.4 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | K404 L406 K411 E412 | K404-S408 WeakPolarHBondContact O-CB 3.2Å; K404-S408 PolarHBondContact O-N 2.77Å; L406-S408 VanDerWaalsContact C-N 3.33Å; L406-S408 PolarHBondContact O-N 3.43Å; S408-K411 PolarHBondContact O-N 2.99Å; S408-E412 WeakPolarHBondContact O-CB 3.29Å; S408-E412 PolarHBondContact O-N 2.96Å |
| 409 | K | 90.3 | Very high | 89.9 | Confident | 68 Ų | 68 | 89 Ų | 89 | 30% | 0.296 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 177.6 | -74.3 | 174.8 | -176.8 | -179.9 | 0 | 112 | D405 L406 E412 A413 | D405-K409 VanDerWaalsContact O-CB 3.26Å; D405-K409 WeakPolarHBondContact O-CB 3.47Å; D405-K409 WeakPolarHBondContact O-CG 3.39Å; D405-K409 PolarHBondContact O-N 2.99Å; L406-K409 PolarHBondContact O-N 3.16Å; K409-E412 PolarHBondContact O-N 2.89Å; K409-A413 WeakPolarHBondContact O-CB 3.47Å; K409-A413 PolarHBondContact O-N 3.42Å |
| 410 | S | 89 | Confident | 90.2 | Very high | 58 Ų | 58 | 88.5 Ų | 88.5 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 175.2 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | L406 E412 A413 E414 | L406-S410 WeakPolarHBondContact O-CB 3.41Å; L406-S410 PolarHBondContact O-N 3.45Å; S410-E412 PolarHBondContact O-N 3.28Å; S410-A413 PolarHBondContact O-N 3.41Å; S410-E414 WeakPolarHBondContact O-CG 3.45Å; S410-E414 PolarHBondContact O-N 2.99Å |
| 411 | K | 90.1 | Very high | 90.4 | Very high | 112 Ų | 112 | 87.7 Ų | 87.7 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 178.2 | -72.9 | 177.2 | -179.2 | -179.3 | 0 | 112.7 | N407 S408 A413 E414 L415 | N407-K411 WeakPolarHBondContact O-CB 3.23Å; N407-K411 WeakPolarHBondContact O-CG 3.37Å; N407-K411 PolarHBondContact O-N 2.83Å; N407-K411 WeakPolarHBondContact OD1-CE 3.47Å; S408-K411 PolarHBondContact O-N 2.99Å; K411-A413 VanDerWaalsContact C-N 3.34Å; K411-E414 PolarHBondContact O-N 3.45Å; K411-L415 WeakPolarHBondContact O-CB 3.34Å; K411-L415 VanDerWaalsContact O-CG 3.29Å; K411-L415 WeakPolarHBondContact O-CG 3.41Å; K411-L415 PolarHBondContact O-N 3.3Å |
| 412 | E | 90.9 | Very high | 90.6 | Very high | 94 Ų | 94 | 89.2 Ų | 89.2 | 44% | 0.439 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.8 | -169.3 | -173.5 | 158.4 | 0 | 0 | 111.3 | S408 K409 S410 L415 K416 | S408-E412 WeakPolarHBondContact O-CB 3.29Å; S408-E412 PolarHBondContact O-N 2.96Å; K409-E412 PolarHBondContact O-N 2.89Å; S410-E412 PolarHBondContact O-N 3.28Å; E412-L415 PolarHBondContact O-N 3.19Å; E412-K416 WeakPolarHBondContact O-CG 3.4Å; E412-K416 PolarHBondContact O-N 3.15Å; E412-K416 VanDerWaalsContact OE1-CE 3.23Å; E412-K416 WeakPolarHBondContact OE1-CE 3.14Å; E412-K416 IonicContact OE1-NZ 3.02Å; E412-K416 PolarHBondContact OE1-NZ 3.4Å |
| 413 | A | 89.5 | Confident | 90.8 | Very high | 58 Ų | 58 | 92.9 Ų | 92.9 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | K409 S410 K411 L415 K416 E417 | K409-A413 WeakPolarHBondContact O-CB 3.47Å; K409-A413 PolarHBondContact O-N 3.42Å; S410-A413 PolarHBondContact O-N 3.41Å; K411-A413 VanDerWaalsContact C-N 3.34Å; A413-L415 VanDerWaalsContact C-N 3.32Å; A413-L415 PolarHBondContact O-N 2.95Å; A413-K416 PolarHBondContact O-N 2.9Å; A413-E417 PolarHBondContact O-N 3.29Å |
| 414 | E | 91.2 | Very high | 91.1 | Very high | 92 Ų | 92 | 91.1 Ų | 91.1 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 175.8 | -75.5 | 174.7 | -155.7 | 0 | 0 | 112.4 | S410 K411 R418 | S410-E414 WeakPolarHBondContact O-CG 3.45Å; S410-E414 PolarHBondContact O-N 2.99Å; K411-E414 PolarHBondContact O-N 3.45Å; E414-R418 WeakPolarHBondContact O-CB 3.44Å; E414-R418 VanDerWaalsContact O-CG 3.29Å; E414-R418 WeakPolarHBondContact O-CG 3.4Å; E414-R418 PolarHBondContact O-N 2.86Å |
| 415 | L | 91.5 | Very high | 91.3 | Very high | 116 Ų | 116 | 91.8 Ų | 91.8 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.8 | -37.5 | 177.7 | -73.2 | 175.2 | 0 | 0 | 0 | 112.4 | K411 E412 A413 R418 L419 | K411-L415 WeakPolarHBondContact O-CB 3.34Å; K411-L415 VanDerWaalsContact O-CG 3.29Å; K411-L415 WeakPolarHBondContact O-CG 3.41Å; K411-L415 PolarHBondContact O-N 3.3Å; E412-L415 PolarHBondContact O-N 3.19Å; A413-L415 VanDerWaalsContact C-N 3.32Å; A413-L415 PolarHBondContact O-N 2.95Å; L415-R418 PolarHBondContact O-N 2.88Å; L415-L419 WeakPolarHBondContact O-CB 3.25Å; L415-L419 PolarHBondContact O-N 2.84Å |
| 416 | K | 92.4 | Very high | 91.6 | Very high | 113 Ų | 113 | 92 Ų | 92 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 174.5 | -76.7 | 176.2 | -175.2 | 167 | 0 | 111.4 | E412 A413 R418 L419 D420 | E412-K416 WeakPolarHBondContact O-CG 3.4Å; E412-K416 PolarHBondContact O-N 3.15Å; E412-K416 VanDerWaalsContact OE1-CE 3.23Å; E412-K416 WeakPolarHBondContact OE1-CE 3.14Å; E412-K416 IonicContact OE1-NZ 3.02Å; E412-K416 PolarHBondContact OE1-NZ 3.4Å; A413-K416 PolarHBondContact O-N 2.9Å; K416-R418 PolarHBondContact O-N 2.89Å; K416-L419 PolarHBondContact O-N 3.46Å; K416-D420 PolarHBondContact O-N 3.47Å |
| 417 | E | 93.4 | Very high | 92 | Very high | 134 Ų | 134 | 94.2 Ų | 94.2 | 63% | 0.626 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 175.8 | -172.1 | -173.8 | 175.9 | 0 | 0 | 111.8 | A413 L419 D420 T421 | A413-E417 PolarHBondContact O-N 3.29Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 2.92Å; E417-D420 PolarHBondContact O-N 3.15Å; E417-T421 WeakPolarHBondContact O-CB 3.29Å; E417-T421 VanDerWaalsContact O-CG2 3.31Å; E417-T421 WeakPolarHBondContact O-CG2 3.47Å; E417-T421 PolarHBondContact O-N 3.4Å; E417-T421 PolarHBondContact O-OG1 3.36Å |
| 418 | R | 93.1 | Very high | 92.2 | Very high | 168 Ų | 168 | 95.5 Ų | 95.5 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -36.5 | 174.6 | -75.1 | 179.2 | -177 | -165 | 4.1 | 112.9 | E414 L415 K416 T421 V422 | E414-R418 WeakPolarHBondContact O-CB 3.44Å; E414-R418 VanDerWaalsContact O-CG 3.29Å; E414-R418 WeakPolarHBondContact O-CG 3.4Å; E414-R418 PolarHBondContact O-N 2.86Å; L415-R418 PolarHBondContact O-N 2.88Å; K416-R418 PolarHBondContact O-N 2.89Å; R418-T421 VanDerWaalsContact C-OG1 3.31Å; R418-T421 VanDerWaalsContact CA-OG1 3.27Å; R418-T421 WeakPolarHBondContact CA-OG1 3.45Å; R418-T421 PolarHBondContact O-OG1 3.33Å; R418-V422 VanDerWaalsContact O-CG2 3.3Å; R418-V422 WeakPolarHBondContact O-CG2 3.28Å; R418-V422 PolarHBondContact O-N 2.92Å |
| 419 | L | 93 | Very high | 92.4 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 176.5 | -178.9 | 62.5 | 0 | 0 | 0 | 111.1 | L415 K416 E417 T421 V422 L423 | L415-L419 WeakPolarHBondContact O-CB 3.25Å; L415-L419 PolarHBondContact O-N 2.84Å; K416-L419 PolarHBondContact O-N 3.46Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 2.92Å; L419-T421 PolarHBondContact O-N 3.43Å; L419-V422 PolarHBondContact O-N 2.95Å; L419-L423 HydrophobicContact CD1-CD1 4.28Å; L419-L423 HydrophobicContact CD1-CG 4.32Å; L419-L423 HydrophobicContact CG-CD1 4.06Å; L419-L423 HydrophobicContact CG-CG 4.49Å; L419-L423 WeakPolarHBondContact O-CB 3.4Å; L419-L423 VanDerWaalsContact O-CG 3.26Å; L419-L423 WeakPolarHBondContact O-CG 3.47Å; L419-L423 PolarHBondContact O-N 3.26Å |
| 420 | D | 93.1 | Very high | 92.5 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.7 | -38.8 | -179.6 | -75.3 | -23.8 | 0 | 0 | 0 | 112.3 | K416 E417 L423 L424 | K416-D420 PolarHBondContact O-N 3.47Å; E417-D420 PolarHBondContact O-N 3.15Å; D420-L423 PolarHBondContact O-N 2.91Å; D420-L424 WeakPolarHBondContact O-CB 3.47Å; D420-L424 PolarHBondContact O-N 3.47Å |
| 421 | T | 92.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 100.3 Ų | 100.3 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 175.1 | 46.4 | 0 | 0 | 0 | 0 | 111.8 | E417 R418 L419 L423 L424 E425 | E417-T421 WeakPolarHBondContact O-CB 3.29Å; E417-T421 VanDerWaalsContact O-CG2 3.31Å; E417-T421 WeakPolarHBondContact O-CG2 3.47Å; E417-T421 PolarHBondContact O-N 3.4Å; E417-T421 PolarHBondContact O-OG1 3.36Å; R418-T421 VanDerWaalsContact C-OG1 3.31Å; R418-T421 VanDerWaalsContact CA-OG1 3.27Å; R418-T421 WeakPolarHBondContact CA-OG1 3.45Å; R418-T421 PolarHBondContact O-OG1 3.33Å; L419-T421 PolarHBondContact O-N 3.43Å; T421-L423 PolarHBondContact O-N 3.39Å; T421-L424 PolarHBondContact O-N 2.9Å; T421-E425 WeakPolarHBondContact O-CG 3.41Å; T421-E425 PolarHBondContact O-N 2.74Å |
| 422 | V | 93.2 | Very high | 92.9 | Very high | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | R418 L419 L424 E425 C426 | R418-V422 VanDerWaalsContact O-CG2 3.3Å; R418-V422 WeakPolarHBondContact O-CG2 3.28Å; R418-V422 PolarHBondContact O-N 2.92Å; L419-V422 PolarHBondContact O-N 2.95Å; V422-L424 VanDerWaalsContact C-N 3.29Å; V422-L424 PolarHBondContact O-N 2.83Å; V422-E425 PolarHBondContact O-N 2.84Å; V422-C426 PolarHBondContact O-N 3.14Å; V422-C426 PolarHBondContact O-SG 2.94Å; V422-C426 VanDerWaalsContact O-SG 3.37Å |
| 423 | L | 94.2 | Very high | 93.1 | Very high | 80 Ų | 80 | 97.4 Ų | 97.4 | 42% | 0.419 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 177.2 | -74.3 | 176.5 | 0 | 0 | 0 | 112.2 | L419 D420 T421 K427 | L419-L423 HydrophobicContact CD1-CD1 4.28Å; L419-L423 HydrophobicContact CD1-CG 4.32Å; L419-L423 HydrophobicContact CG-CD1 4.06Å; L419-L423 HydrophobicContact CG-CG 4.49Å; L419-L423 WeakPolarHBondContact O-CB 3.4Å; L419-L423 VanDerWaalsContact O-CG 3.26Å; L419-L423 WeakPolarHBondContact O-CG 3.47Å; L419-L423 PolarHBondContact O-N 3.26Å; D420-L423 PolarHBondContact O-N 2.91Å; T421-L423 PolarHBondContact O-N 3.39Å; L423-K427 WeakPolarHBondContact O-CB 3.27Å; L423-K427 WeakPolarHBondContact O-CD 3.35Å; L423-K427 WeakPolarHBondContact O-CG 3.31Å; L423-K427 PolarHBondContact O-N 3.21Å; L423-K427 VanDerWaalsContact O-N 3.12Å |
| 424 | L | 93.7 | Very high | 93.4 | Very high | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 175.8 | -172.7 | 66.2 | 0 | 0 | 0 | 111.7 | D420 T421 V422 K427 N428 | D420-L424 WeakPolarHBondContact O-CB 3.47Å; D420-L424 PolarHBondContact O-N 3.47Å; T421-L424 PolarHBondContact O-N 2.9Å; V422-L424 VanDerWaalsContact C-N 3.29Å; V422-L424 PolarHBondContact O-N 2.83Å; L424-K427 PolarHBondContact O-N 2.88Å; L424-N428 WeakPolarHBondContact O-CB 3.48Å; L424-N428 PolarHBondContact O-N 3.37Å; L424-N428 PolarHBondContact O-ND2 3.33Å |
| 425 | E | 93.4 | Very high | 93.5 | Very high | 116 Ų | 116 | 103.3 Ų | 103.3 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -50.5 | 175.3 | -73 | 174.2 | 175.1 | 0 | 0 | 111.6 | T421 V422 K427 N428 E429 | T421-E425 WeakPolarHBondContact O-CG 3.41Å; T421-E425 PolarHBondContact O-N 2.74Å; V422-E425 PolarHBondContact O-N 2.84Å; E425-K427 VanDerWaalsContact C-N 3.28Å; E425-K427 PolarHBondContact O-N 2.85Å; E425-N428 WeakPolarHBondContact O-CB 3.5Å; E425-N428 PolarHBondContact O-N 3.24Å; E425-E429 WeakPolarHBondContact O-CG 3.37Å; E425-E429 PolarHBondContact O-N 2.99Å |
| 426 | C | 93.3 | Very high | 93.7 | Very high | 61 Ų | 61 | 103.5 Ų | 103.5 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 176.7 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | V422 T430 | V422-C426 PolarHBondContact O-N 3.14Å; V422-C426 PolarHBondContact O-SG 2.94Å; V422-C426 VanDerWaalsContact O-SG 3.37Å; C426-T430 WeakPolarHBondContact O-CB 3.13Å; C426-T430 PolarHBondContact O-N 2.9Å; C426-T430 PolarHBondContact O-OG1 3.44Å |
| 427 | K | 95.2 | Very high | 93.8 | Very high | 124 Ų | 124 | 103 Ų | 103 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 173.9 | -76.8 | 169.7 | -175.2 | 172 | 0 | 111.1 | L423 L424 E425 T430 H431 | L423-K427 WeakPolarHBondContact O-CB 3.27Å; L423-K427 WeakPolarHBondContact O-CD 3.35Å; L423-K427 WeakPolarHBondContact O-CG 3.31Å; L423-K427 PolarHBondContact O-N 3.21Å; L423-K427 VanDerWaalsContact O-N 3.12Å; L424-K427 PolarHBondContact O-N 2.88Å; E425-K427 VanDerWaalsContact C-N 3.28Å; E425-K427 PolarHBondContact O-N 2.85Å; K427-T430 WeakPolarHBondContact O-CB 3.49Å; K427-T430 PolarHBondContact O-N 2.86Å; K427-H431 PolarHBondContact O-CD2 3.21Å; K427-H431 PolarHBondContact O-N 2.9Å |
| 428 | N | 93.2 | Very high | 93.9 | Very high | 95 Ų | 95 | 102.3 Ų | 102.3 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 179.7 | -71.6 | -23.2 | 0 | 0 | 0 | 112.1 | L424 E425 H431 A432 | L424-N428 WeakPolarHBondContact O-CB 3.48Å; L424-N428 PolarHBondContact O-N 3.37Å; L424-N428 PolarHBondContact O-ND2 3.33Å; E425-N428 WeakPolarHBondContact O-CB 3.5Å; E425-N428 PolarHBondContact O-N 3.24Å; N428-H431 PolarHBondContact O-N 3.42Å; N428-A432 WeakPolarHBondContact O-CB 3.48Å; N428-A432 PolarHBondContact O-N 3.32Å |
| 429 | E | 93.8 | Very high | 93.9 | Very high | 124 Ų | 124 | 100 Ų | 100 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 174.1 | -72.3 | 178.5 | 169.8 | 0 | 0 | 111.7 | E425 H431 A432 L433 | E425-E429 WeakPolarHBondContact O-CG 3.37Å; E425-E429 PolarHBondContact O-N 2.99Å; E429-H431 VanDerWaalsContact C-N 3.3Å; E429-H431 PolarHBondContact O-N 3.36Å; E429-A432 PolarHBondContact O-N 2.85Å; E429-A432 VanDerWaalsContact O-N 3.14Å; E429-L433 WeakPolarHBondContact O-CG 3.3Å; E429-L433 PolarHBondContact O-N 3.43Å |
| 430 | T | 93.2 | Very high | 93.9 | Very high | 68 Ų | 68 | 97.2 Ų | 97.2 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 176 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | C426 K427 K434 | C426-T430 WeakPolarHBondContact O-CB 3.13Å; C426-T430 PolarHBondContact O-N 2.9Å; C426-T430 PolarHBondContact O-OG1 3.44Å; K427-T430 WeakPolarHBondContact O-CB 3.49Å; K427-T430 PolarHBondContact O-N 2.86Å; T430-K434 HydrophobicContact CG2-CD 4.37Å; T430-K434 WeakPolarHBondContact O-CB 3.41Å; T430-K434 VanDerWaalsContact O-CG 3.3Å; T430-K434 WeakPolarHBondContact O-CG 3.31Å; T430-K434 PolarHBondContact O-N 3.26Å |
| 431 | H | 93.7 | Very high | 94 | Very high | 104 Ų | 104 | 96.3 Ų | 96.3 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 175.2 | -76.7 | -65 | 0 | 0 | 0 | 112.7 | K427 N428 E429 K434 R435 | K427-H431 PolarHBondContact O-CD2 3.21Å; K427-H431 PolarHBondContact O-N 2.9Å; N428-H431 PolarHBondContact O-N 3.42Å; E429-H431 VanDerWaalsContact C-N 3.3Å; E429-H431 PolarHBondContact O-N 3.36Å; H431-K434 PolarHBondContact O-N 3.46Å; H431-R435 WeakPolarHBondContact O-CG 3.5Å; H431-R435 PolarHBondContact O-N 2.93Å |
| 432 | A | 94 | Very high | 94 | Very high | 43 Ų | 43 | 96.7 Ų | 96.7 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N428 E429 R435 Q436 | N428-A432 WeakPolarHBondContact O-CB 3.48Å; N428-A432 PolarHBondContact O-N 3.32Å; E429-A432 PolarHBondContact O-N 2.85Å; E429-A432 VanDerWaalsContact O-N 3.14Å; A432-R435 PolarHBondContact O-N 3.28Å; A432-Q436 WeakPolarHBondContact O-CG 3.39Å; A432-Q436 PolarHBondContact O-N 2.86Å |
| 433 | L | 94.4 | Very high | 94.1 | Very high | 101 Ų | 101 | 97.4 Ų | 97.4 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.3 | -70.6 | 174.2 | 0 | 0 | 0 | 111.7 | E429 R435 Q436 I437 | E429-L433 WeakPolarHBondContact O-CG 3.3Å; E429-L433 PolarHBondContact O-N 3.43Å; L433-R435 PolarHBondContact O-N 3.37Å; L433-Q436 PolarHBondContact O-N 2.8Å; L433-I437 VanDerWaalsContact O-CG1 3.31Å; L433-I437 WeakPolarHBondContact O-CG1 3.25Å; L433-I437 PolarHBondContact O-N 3.24Å |
| 434 | K | 95.2 | Very high | 94.1 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 174 | -77.7 | 176.3 | -179.2 | 179.4 | 0 | 112.1 | T430 H431 Q436 I437 E438 | T430-K434 HydrophobicContact CG2-CD 4.37Å; T430-K434 WeakPolarHBondContact O-CB 3.41Å; T430-K434 VanDerWaalsContact O-CG 3.3Å; T430-K434 WeakPolarHBondContact O-CG 3.31Å; T430-K434 PolarHBondContact O-N 3.26Å; H431-K434 PolarHBondContact O-N 3.46Å; K434-Q436 PolarHBondContact O-N 3.21Å; K434-I437 PolarHBondContact O-N 3Å; K434-E438 WeakPolarHBondContact O-CG 3.39Å; K434-E438 PolarHBondContact O-N 2.96Å |
| 435 | R | 93.7 | Very high | 94.1 | Very high | 161 Ų | 161 | 98.1 Ų | 98.1 | 61% | 0.608 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.5 | -40.1 | 175.1 | -76.5 | -179.7 | -174.3 | 144.2 | 1.6 | 112.5 | H431 A432 L433 E438 Q439 | H431-R435 WeakPolarHBondContact O-CG 3.5Å; H431-R435 PolarHBondContact O-N 2.93Å; A432-R435 PolarHBondContact O-N 3.28Å; L433-R435 PolarHBondContact O-N 3.37Å; R435-E438 PolarHBondContact O-N 2.89Å; R435-Q439 WeakPolarHBondContact O-CB 3.4Å; R435-Q439 VanDerWaalsContact O-CG 3.27Å; R435-Q439 WeakPolarHBondContact O-CG 3.47Å; R435-Q439 PolarHBondContact O-N 3.3Å |
| 436 | Q | 96.4 | Very high | 94.1 | Very high | 119 Ų | 119 | 97.7 Ų | 97.7 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 176.3 | -74.1 | 179.1 | 1.6 | 0 | 0 | 111.7 | A432 L433 K434 Q439 A440 | A432-Q436 WeakPolarHBondContact O-CG 3.39Å; A432-Q436 PolarHBondContact O-N 2.86Å; L433-Q436 PolarHBondContact O-N 2.8Å; K434-Q436 PolarHBondContact O-N 3.21Å; Q436-Q439 PolarHBondContact O-N 3.35Å; Q436-A440 WeakPolarHBondContact O-CB 3.48Å; Q436-A440 PolarHBondContact O-N 3.38Å |
| 437 | I | 94.9 | Very high | 94.1 | Very high | 102 Ų | 102 | 98.2 Ų | 98.2 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 175.2 | -69.2 | 166 | 0 | 0 | 0 | 110.6 | L433 K434 Q439 A440 N441 | L433-I437 VanDerWaalsContact O-CG1 3.31Å; L433-I437 WeakPolarHBondContact O-CG1 3.25Å; L433-I437 PolarHBondContact O-N 3.24Å; K434-I437 PolarHBondContact O-N 3Å; I437-Q439 PolarHBondContact O-N 2.79Å; I437-A440 PolarHBondContact O-N 2.94Å; I437-N441 WeakPolarHBondContact O-CB 3.4Å; I437-N441 VanDerWaalsContact O-CG 3.25Å; I437-N441 PolarHBondContact O-N 3.41Å; I437-N441 PolarHBondContact O-ND2 3.45Å |
| 438 | E | 94.3 | Very high | 94 | Very high | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.5 | -46.3 | 175.6 | -74.9 | 165.6 | -170.6 | 0 | 0 | 111.5 | K434 R435 N441 T442 | K434-E438 WeakPolarHBondContact O-CG 3.39Å; K434-E438 PolarHBondContact O-N 2.96Å; R435-E438 PolarHBondContact O-N 2.89Å; E438-N441 PolarHBondContact O-N 3.41Å; E438-T442 WeakPolarHBondContact O-CG2 3.38Å; E438-T442 PolarHBondContact O-N 2.88Å; E438-T442 PolarHBondContact O-OG1 2.87Å |
| 439 | Q | 94.1 | Very high | 94 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -46.7 | 176.1 | -74.3 | 173.3 | -0.7 | 0 | 0 | 112.2 | R435 Q436 I437 N441 T442 I443 | R435-Q439 WeakPolarHBondContact O-CB 3.4Å; R435-Q439 VanDerWaalsContact O-CG 3.27Å; R435-Q439 WeakPolarHBondContact O-CG 3.47Å; R435-Q439 PolarHBondContact O-N 3.3Å; Q436-Q439 PolarHBondContact O-N 3.35Å; I437-Q439 PolarHBondContact O-N 2.79Å; Q439-N441 VanDerWaalsContact C-N 3.32Å; Q439-N441 PolarHBondContact O-N 2.95Å; Q439-T442 WeakPolarHBondContact CA-OG1 3.34Å; Q439-T442 PolarHBondContact O-N 2.94Å; Q439-T442 VanDerWaalsContact O-N 3.16Å; Q439-T442 PolarHBondContact O-OG1 3.33Å; Q439-I443 WeakPolarHBondContact O-CG1 3.41Å; Q439-I443 PolarHBondContact O-N 3.44Å |
| 440 | A | 93 | Very high | 94 | Very high | 46 Ų | 46 | 100.4 Ų | 100.4 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q436 I437 T442 I443 I444 | Q436-A440 WeakPolarHBondContact O-CB 3.48Å; Q436-A440 PolarHBondContact O-N 3.38Å; I437-A440 PolarHBondContact O-N 2.94Å; A440-T442 VanDerWaalsContact C-N 3.34Å; A440-T442 PolarHBondContact O-N 3.41Å; A440-I443 PolarHBondContact O-N 3.43Å; A440-I444 VanDerWaalsContact O-CG1 3.27Å; A440-I444 WeakPolarHBondContact O-CG1 3.38Å; A440-I444 PolarHBondContact O-N 2.92Å |
| 441 | N | 94.3 | Very high | 93.9 | Very high | 85 Ų | 85 | 102.6 Ų | 102.6 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.5 | -73.4 | -29.1 | 0 | 0 | 0 | 112.1 | I437 E438 Q439 I444 N445 | I437-N441 WeakPolarHBondContact O-CB 3.4Å; I437-N441 VanDerWaalsContact O-CG 3.25Å; I437-N441 PolarHBondContact O-N 3.41Å; I437-N441 PolarHBondContact O-ND2 3.45Å; E438-N441 PolarHBondContact O-N 3.41Å; Q439-N441 VanDerWaalsContact C-N 3.32Å; Q439-N441 PolarHBondContact O-N 2.95Å; N441-I444 PolarHBondContact O-N 3.34Å; N441-N445 WeakPolarHBondContact O-CB 3.48Å; N441-N445 VanDerWaalsContact O-CG 3.26Å; N441-N445 PolarHBondContact O-N 2.86Å; N441-N445 PolarHBondContact O-ND2 2.95Å |
| 442 | T | 92.5 | Very high | 93.8 | Very high | 72 Ų | 72 | 99.9 Ų | 99.9 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.5 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | E438 Q439 A440 N445 Q446 | E438-T442 WeakPolarHBondContact O-CG2 3.38Å; E438-T442 PolarHBondContact O-N 2.88Å; E438-T442 PolarHBondContact O-OG1 2.87Å; Q439-T442 WeakPolarHBondContact CA-OG1 3.34Å; Q439-T442 PolarHBondContact O-N 2.94Å; Q439-T442 VanDerWaalsContact O-N 3.16Å; Q439-T442 PolarHBondContact O-OG1 3.33Å; A440-T442 VanDerWaalsContact C-N 3.34Å; A440-T442 PolarHBondContact O-N 3.41Å; T442-N445 PolarHBondContact O-N 2.87Å; T442-Q446 WeakPolarHBondContact O-CB 3.38Å; T442-Q446 VanDerWaalsContact O-CG 3.26Å; T442-Q446 WeakPolarHBondContact O-CG 3.24Å; T442-Q446 PolarHBondContact O-N 3.45Å |
| 443 | I | 95.7 | Very high | 93.7 | Very high | 89 Ų | 89 | 104.6 Ų | 104.6 | 46% | 0.456 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 177.7 | -66.3 | 167.3 | 0 | 0 | 0 | 110.6 | Q439 A440 N445 Q446 N447 | Q439-I443 WeakPolarHBondContact O-CG1 3.41Å; Q439-I443 PolarHBondContact O-N 3.44Å; A440-I443 PolarHBondContact O-N 3.43Å; I443-N445 VanDerWaalsContact C-N 3.35Å; I443-N445 PolarHBondContact O-N 3.37Å; I443-Q446 PolarHBondContact O-N 2.85Å; I443-N447 WeakPolarHBondContact O-CB 3.41Å; I443-N447 PolarHBondContact O-N 2.87Å |
| 444 | I | 93.9 | Very high | 93.7 | Very high | 102 Ų | 102 | 104.5 Ų | 104.5 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 176.4 | -71.1 | 166.9 | 0 | 0 | 0 | 110.5 | A440 N441 N447 H448 | A440-I444 VanDerWaalsContact O-CG1 3.27Å; A440-I444 WeakPolarHBondContact O-CG1 3.38Å; A440-I444 PolarHBondContact O-N 2.92Å; N441-I444 PolarHBondContact O-N 3.34Å; I444-N447 PolarHBondContact O-N 3.19Å; I444-H448 WeakPolarHBondContact O-CB 3.3Å; I444-H448 PolarHBondContact O-N 3.46Å |
| 445 | N | 93.1 | Very high | 93.6 | Very high | 95 Ų | 95 | 104 Ų | 104 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 178.5 | -70.8 | -21.2 | 0 | 0 | 0 | 112 | N441 T442 I443 H448 E449 | N441-N445 WeakPolarHBondContact O-CB 3.48Å; N441-N445 VanDerWaalsContact O-CG 3.26Å; N441-N445 PolarHBondContact O-N 2.86Å; N441-N445 PolarHBondContact O-ND2 2.95Å; T442-N445 PolarHBondContact O-N 2.87Å; I443-N445 VanDerWaalsContact C-N 3.35Å; I443-N445 PolarHBondContact O-N 3.37Å; N445-H448 PolarHBondContact O-N 2.96Å; N445-E449 WeakPolarHBondContact O-CG 3.48Å; N445-E449 PolarHBondContact O-N 3.32Å |
| 446 | Q | 94.7 | Very high | 93.5 | Very high | 106 Ų | 106 | 99.8 Ų | 99.8 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.3 | -75.4 | 170.8 | -5.7 | 0 | 0 | 111.8 | T442 I443 H448 E449 E450 | T442-Q446 WeakPolarHBondContact O-CB 3.38Å; T442-Q446 VanDerWaalsContact O-CG 3.26Å; T442-Q446 WeakPolarHBondContact O-CG 3.24Å; T442-Q446 PolarHBondContact O-N 3.45Å; I443-Q446 PolarHBondContact O-N 2.85Å; Q446-H448 VanDerWaalsContact C-N 3.27Å; Q446-H448 PolarHBondContact O-N 3.42Å; Q446-E449 PolarHBondContact O-N 3.26Å; Q446-E450 WeakPolarHBondContact O-CG 3.48Å; Q446-E450 PolarHBondContact O-N 3.26Å |
| 447 | N | 93.4 | Very high | 93.3 | Very high | 73 Ų | 73 | 97.3 Ų | 97.3 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 176.3 | -75.3 | -16.5 | 0 | 0 | 0 | 111.4 | I443 I444 E450 H451 | I443-N447 WeakPolarHBondContact O-CB 3.41Å; I443-N447 PolarHBondContact O-N 2.87Å; I444-N447 PolarHBondContact O-N 3.19Å; N447-E450 PolarHBondContact O-N 3.43Å; N447-H451 WeakPolarHBondContact O-CB 3.32Å; N447-H451 PolarHBondContact O-CD2 3.46Å; N447-H451 VanDerWaalsContact O-CG 3.3Å; N447-H451 PolarHBondContact O-N 3.01Å |
| 448 | H | 92.4 | Very high | 93.2 | Very high | 139 Ų | 139 | 96.9 Ų | 96.9 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 177.4 | -165 | 61.3 | 0 | 0 | 0 | 111.9 | I444 N445 Q446 A452 | I444-H448 WeakPolarHBondContact O-CB 3.3Å; I444-H448 PolarHBondContact O-N 3.46Å; N445-H448 PolarHBondContact O-N 2.96Å; Q446-H448 VanDerWaalsContact C-N 3.27Å; Q446-H448 PolarHBondContact O-N 3.42Å; H448-A452 WeakPolarHBondContact O-CB 3.35Å; H448-A452 PolarHBondContact O-N 3.06Å |
| 449 | E | 93.4 | Very high | 93.1 | Very high | 131 Ų | 131 | 97.4 Ų | 97.4 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | 174.4 | -72.4 | 172.5 | -170.8 | 0 | 0 | 111.8 | N445 Q446 A452 M453 | N445-E449 WeakPolarHBondContact O-CG 3.48Å; N445-E449 PolarHBondContact O-N 3.32Å; Q446-E449 PolarHBondContact O-N 3.26Å; E449-A452 PolarHBondContact O-N 3.5Å; E449-M453 WeakPolarHBondContact O-CB 3.27Å; E449-M453 VanDerWaalsContact O-CG 3.23Å; E449-M453 WeakPolarHBondContact O-CG 3.49Å; E449-M453 PolarHBondContact O-N 3.03Å |
| 450 | E | 94.1 | Very high | 93 | Very high | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -46.1 | 176.6 | -74 | -177.7 | -178.6 | 0 | 0 | 111.9 | Q446 N447 M453 L454 | Q446-E450 WeakPolarHBondContact O-CG 3.48Å; Q446-E450 PolarHBondContact O-N 3.26Å; N447-E450 PolarHBondContact O-N 3.43Å; E450-M453 PolarHBondContact O-N 2.92Å; E450-L454 WeakPolarHBondContact O-CB 3.34Å; E450-L454 WeakPolarHBondContact O-CG 3.48Å; E450-L454 PolarHBondContact O-N 2.86Å |
| 451 | H | 90.1 | Very high | 93 | Very high | 114 Ų | 114 | 101.9 Ų | 101.9 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.6 | -75.4 | -52.4 | 0 | 0 | 0 | 111.8 | N447 M453 L454 E455 | N447-H451 WeakPolarHBondContact O-CB 3.32Å; N447-H451 PolarHBondContact O-CD2 3.46Å; N447-H451 VanDerWaalsContact O-CG 3.3Å; N447-H451 PolarHBondContact O-N 3.01Å; H451-M453 VanDerWaalsContact C-N 3.3Å; H451-M453 PolarHBondContact O-N 3.27Å; H451-L454 PolarHBondContact O-N 3.24Å; H451-E455 WeakPolarHBondContact O-CB 3.48Å; H451-E455 WeakPolarHBondContact O-CG 3.47Å; H451-E455 PolarHBondContact O-N 2.82Å |
| 452 | A | 91.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 101.9 Ų | 101.9 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H448 E449 S456 | H448-A452 WeakPolarHBondContact O-CB 3.35Å; H448-A452 PolarHBondContact O-N 3.06Å; E449-A452 PolarHBondContact O-N 3.5Å; A452-S456 WeakPolarHBondContact O-CB 3.26Å; A452-S456 PolarHBondContact O-N 2.96Å; A452-S456 VanDerWaalsContact O-N 3.11Å; A452-S456 PolarHBondContact O-OG 2.94Å |
| 453 | M | 91.4 | Very high | 92.4 | Very high | 143 Ų | 143 | 101.1 Ų | 101.1 | 70% | 0.704 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.2 | -43.2 | 176.3 | -68.7 | -65.4 | -78.6 | 0 | 0 | 112.4 | E449 E450 H451 S456 S457 | E449-M453 WeakPolarHBondContact O-CB 3.27Å; E449-M453 VanDerWaalsContact O-CG 3.23Å; E449-M453 WeakPolarHBondContact O-CG 3.49Å; E449-M453 PolarHBondContact O-N 3.03Å; E450-M453 PolarHBondContact O-N 2.92Å; H451-M453 VanDerWaalsContact C-N 3.3Å; H451-M453 PolarHBondContact O-N 3.27Å; M453-S456 PolarHBondContact O-N 3.18Å; M453-S457 PolarHBondContact O-N 2.89Å |
| 454 | L | 95.6 | Very high | 92.2 | Very high | 98 Ų | 98 | 99.7 Ų | 99.7 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.7 | -77.1 | 166.9 | 0 | 0 | 0 | 111.5 | E450 H451 S456 S457 L458 | E450-L454 WeakPolarHBondContact O-CB 3.34Å; E450-L454 WeakPolarHBondContact O-CG 3.48Å; E450-L454 PolarHBondContact O-N 2.86Å; H451-L454 PolarHBondContact O-N 3.24Å; L454-S456 VanDerWaalsContact C-N 3.3Å; L454-S456 PolarHBondContact O-N 2.96Å; L454-S457 WeakPolarHBondContact O-CB 3.46Å; L454-S457 PolarHBondContact O-N 3.21Å; L454-L458 WeakPolarHBondContact O-CB 3.46Å; L454-L458 WeakPolarHBondContact O-CG 3.15Å; L454-L458 PolarHBondContact O-N 2.81Å |
| 455 | E | 92 | Very high | 92 | Very high | 105 Ų | 105 | 99.3 Ų | 99.3 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 174.3 | -83.2 | -163.8 | -167.8 | 0 | 0 | 112.1 | H451 L458 K459 | H451-E455 WeakPolarHBondContact O-CB 3.48Å; H451-E455 WeakPolarHBondContact O-CG 3.47Å; H451-E455 PolarHBondContact O-N 2.82Å; E455-L458 PolarHBondContact O-N 2.96Å; E455-K459 WeakPolarHBondContact O-CB 3.44Å; E455-K459 WeakPolarHBondContact O-CD 3.4Å; E455-K459 WeakPolarHBondContact O-CG 3.35Å; E455-K459 PolarHBondContact O-N 3.29Å; E455-K459 IonicContact OE2-NZ 2.88Å; E455-K459 PolarHBondContact OE2-NZ 3.49Å |
| 456 | S | 91.8 | Very high | 91.7 | Very high | 72 Ų | 72 | 103.6 Ų | 103.6 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 178 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | A452 M453 L454 K459 W460 | A452-S456 WeakPolarHBondContact O-CB 3.26Å; A452-S456 PolarHBondContact O-N 2.96Å; A452-S456 VanDerWaalsContact O-N 3.11Å; A452-S456 PolarHBondContact O-OG 2.94Å; M453-S456 PolarHBondContact O-N 3.18Å; L454-S456 VanDerWaalsContact C-N 3.3Å; L454-S456 PolarHBondContact O-N 2.96Å; S456-K459 PolarHBondContact O-N 3.49Å; S456-W460 PolarHBondContact O-N 2.95Å |
| 457 | S | 93.4 | Very high | 91.3 | Very high | 67 Ų | 67 | 103.7 Ų | 103.7 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | M453 L454 K459 W460 E461 | M453-S457 PolarHBondContact O-N 2.89Å; L454-S457 WeakPolarHBondContact O-CB 3.46Å; L454-S457 PolarHBondContact O-N 3.21Å; S457-K459 VanDerWaalsContact C-N 3.35Å; S457-K459 PolarHBondContact O-N 3.12Å; S457-W460 CarbonylContact O-C 3.27Å; S457-W460 WeakPolarHBondContact O-CB 3.31Å; S457-W460 PolarHBondContact O-N 3.47Å; S457-W460 VanDerWaalsContact O-N 3.13Å; S457-E461 PolarHBondContact O-N 3.5Å |
| 458 | L | 92 | Very high | 91.2 | Very high | 93 Ų | 93 | 106.4 Ų | 106.4 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.3 | -71.8 | 172.4 | 0 | 0 | 0 | 111.8 | L454 E455 W460 E461 I462 | L454-L458 WeakPolarHBondContact O-CB 3.46Å; L454-L458 WeakPolarHBondContact O-CG 3.15Å; L454-L458 PolarHBondContact O-N 2.81Å; E455-L458 PolarHBondContact O-N 2.96Å; L458-W460 VanDerWaalsContact C-N 3.29Å; L458-W460 PolarHBondContact O-N 3.28Å; L458-E461 PolarHBondContact O-N 2.94Å; L458-I462 WeakPolarHBondContact O-CB 3.36Å; L458-I462 WeakPolarHBondContact O-CD1 3.46Å; L458-I462 WeakPolarHBondContact O-CG1 3.26Å; L458-I462 PolarHBondContact O-N 3.29Å |
| 459 | K | 92.5 | Very high | 90.9 | Very high | 130 Ų | 130 | 104.8 Ų | 104.8 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -40.8 | 173.7 | -75.7 | 165.6 | -170 | 158.8 | 0 | 111.1 | E455 S456 S457 S463 | E455-K459 WeakPolarHBondContact O-CB 3.44Å; E455-K459 WeakPolarHBondContact O-CD 3.4Å; E455-K459 WeakPolarHBondContact O-CG 3.35Å; E455-K459 PolarHBondContact O-N 3.29Å; E455-K459 IonicContact OE2-NZ 2.88Å; E455-K459 PolarHBondContact OE2-NZ 3.49Å; S456-K459 PolarHBondContact O-N 3.49Å; S457-K459 VanDerWaalsContact C-N 3.35Å; S457-K459 PolarHBondContact O-N 3.12Å; K459-S463 PolarHBondContact O-N 3.46Å |
| 460 | W | 91.2 | Very high | 90.3 | Very high | 166 Ų | 166 | 105.1 Ų | 105.1 | 63% | 0.629 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.7 | -46.5 | 173.9 | -175.7 | 85.7 | 0 | 0 | 0 | 112.1 | S456 S457 L458 I462 S463 Q464 | S456-W460 PolarHBondContact O-N 2.95Å; S457-W460 CarbonylContact O-C 3.27Å; S457-W460 WeakPolarHBondContact O-CB 3.31Å; S457-W460 PolarHBondContact O-N 3.47Å; S457-W460 VanDerWaalsContact O-N 3.13Å; L458-W460 VanDerWaalsContact C-N 3.29Å; L458-W460 PolarHBondContact O-N 3.28Å; W460-I462 PolarHBondContact O-N 2.88Å; W460-S463 WeakPolarHBondContact O-CB 3.43Å; W460-S463 PolarHBondContact O-N 3.35Å; W460-S463 VanDerWaalsContact O-N 3.1Å; W460-S463 PolarHBondContact O-OG 2.92Å; W460-Q464 HydrophobicContact CD2-CG 4Å; W460-Q464 HydrophobicContact CE3-CG 4.06Å; W460-Q464 HydrophobicContact CH2-CG 3.89Å; W460-Q464 HydrophobicContact CZ2-CG 3.81Å; W460-Q464 HydrophobicContact CZ3-CG 4Å; W460-Q464 WeakPolarHBondContact O-CG 3.36Å; W460-Q464 PolarHBondContact O-N 3.33Å |
| 461 | E | 93.8 | Very high | 89.7 | Confident | 94 Ų | 94 | 104.8 Ų | 104.8 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 178.9 | -173.5 | 175.8 | -167.3 | 0 | 0 | 112.3 | S457 L458 S463 Q464 L465 | S457-E461 PolarHBondContact O-N 3.5Å; L458-E461 PolarHBondContact O-N 2.94Å; E461-S463 PolarHBondContact O-N 3.09Å; E461-Q464 PolarHBondContact O-N 3.26Å; E461-Q464 VanDerWaalsContact O-N 3.11Å; E461-L465 HydrophobicContact CG-CD1 4.04Å; E461-L465 HydrophobicContact CG-CG 4.26Å; E461-L465 WeakPolarHBondContact O-CB 3.36Å; E461-L465 WeakPolarHBondContact O-CG 3.48Å; E461-L465 PolarHBondContact O-N 3.36Å |
| 462 | I | 88.3 | Confident | 89.3 | Confident | 85 Ų | 85 | 101.6 Ų | 101.6 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 173.7 | -71.1 | 166.6 | 0 | 0 | 0 | 110.3 | L458 W460 R466 | L458-I462 WeakPolarHBondContact O-CB 3.36Å; L458-I462 WeakPolarHBondContact O-CD1 3.46Å; L458-I462 WeakPolarHBondContact O-CG1 3.26Å; L458-I462 PolarHBondContact O-N 3.29Å; W460-I462 PolarHBondContact O-N 2.88Å; I462-R466 HydrophobicContact CG2-CG 4.41Å; I462-R466 VanDerWaalsContact O-CB 3.32Å; I462-R466 WeakPolarHBondContact O-CB 3.4Å; I462-R466 WeakPolarHBondContact O-CG 3.45Å; I462-R466 PolarHBondContact O-N 2.68Å |
| 463 | S | 86.7 | Confident | 88.5 | Confident | 57 Ų | 57 | 103.7 Ų | 103.7 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.6 | 81.6 | 0 | 0 | 0 | 0 | 112.2 | K459 W460 E461 R466 Q467 | K459-S463 PolarHBondContact O-N 3.46Å; W460-S463 WeakPolarHBondContact O-CB 3.43Å; W460-S463 PolarHBondContact O-N 3.35Å; W460-S463 VanDerWaalsContact O-N 3.1Å; W460-S463 PolarHBondContact O-OG 2.92Å; E461-S463 PolarHBondContact O-N 3.09Å; S463-R466 PolarHBondContact O-N 2.77Å; S463-Q467 PolarHBondContact O-N 3.46Å; S463-Q467 VanDerWaalsContact O-N 3.08Å |
| 464 | Q | 91.1 | Very high | 87.4 | Confident | 59 Ų | 59 | 103.2 Ų | 103.2 | 28% | 0.276 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 178.3 | -67.7 | -62.7 | -44 | 0 | 0 | 112.2 | W460 E461 Q467 K468 | W460-Q464 HydrophobicContact CD2-CG 4Å; W460-Q464 HydrophobicContact CE3-CG 4.06Å; W460-Q464 HydrophobicContact CH2-CG 3.89Å; W460-Q464 HydrophobicContact CZ2-CG 3.81Å; W460-Q464 HydrophobicContact CZ3-CG 4Å; W460-Q464 WeakPolarHBondContact O-CG 3.36Å; W460-Q464 PolarHBondContact O-N 3.33Å; E461-Q464 PolarHBondContact O-N 3.26Å; E461-Q464 VanDerWaalsContact O-N 3.11Å; Q464-Q467 WeakPolarHBondContact O-CB 3.35Å; Q464-Q467 PolarHBondContact O-N 2.86Å; Q464-K468 WeakPolarHBondContact O-CG 3.31Å; Q464-K468 PolarHBondContact O-N 3.48Å |
| 465 | L | 90 | Very high | 86.3 | Confident | 94 Ų | 94 | 106.3 Ų | 106.3 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 176.4 | -73.9 | 175.4 | 0 | 0 | 0 | 111.5 | E461 Q467 K468 L469 | E461-L465 HydrophobicContact CG-CD1 4.04Å; E461-L465 HydrophobicContact CG-CG 4.26Å; E461-L465 WeakPolarHBondContact O-CB 3.36Å; E461-L465 WeakPolarHBondContact O-CG 3.48Å; E461-L465 PolarHBondContact O-N 3.36Å; L465-Q467 VanDerWaalsContact C-N 3.29Å; L465-Q467 PolarHBondContact O-N 3.28Å; L465-K468 PolarHBondContact O-N 2.77Å; L465-L469 VanDerWaalsContact O-CB 3.26Å; L465-L469 WeakPolarHBondContact O-CB 3.38Å; L465-L469 PolarHBondContact O-N 3.18Å |
| 466 | R | 86.6 | Confident | 85 | Confident | 184 Ų | 184 | 105.9 Ų | 105.9 | 69% | 0.694 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.8 | -41.2 | 172.3 | -76.3 | 174.4 | 178.6 | -166.3 | 0.8 | 111.5 | I462 S463 Q470 | I462-R466 HydrophobicContact CG2-CG 4.41Å; I462-R466 VanDerWaalsContact O-CB 3.32Å; I462-R466 WeakPolarHBondContact O-CB 3.4Å; I462-R466 WeakPolarHBondContact O-CG 3.45Å; I462-R466 PolarHBondContact O-N 2.68Å; S463-R466 PolarHBondContact O-N 2.77Å; R466-Q470 WeakPolarHBondContact O-CB 3.43Å; R466-Q470 PolarHBondContact O-N 3.48Å |
| 467 | Q | 86.4 | Confident | 83.6 | Confident | 108 Ų | 108 | 110 Ų | 110 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 174.2 | -171.9 | -178.4 | 15.4 | 0 | 0 | 112.4 | S463 Q464 L465 Q470 L471 | S463-Q467 PolarHBondContact O-N 3.46Å; S463-Q467 VanDerWaalsContact O-N 3.08Å; Q464-Q467 WeakPolarHBondContact O-CB 3.35Å; Q464-Q467 PolarHBondContact O-N 2.86Å; L465-Q467 VanDerWaalsContact C-N 3.29Å; L465-Q467 PolarHBondContact O-N 3.28Å; Q467-Q470 WeakPolarHBondContact O-CB 3.36Å; Q467-Q470 PolarHBondContact O-N 3.05Å; Q467-L471 PolarHBondContact O-N 2.85Å |
| 468 | K | 90.6 | Very high | 81.7 | Confident | 130 Ų | 130 | 113.5 Ų | 113.5 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.4 | -41.7 | 178.4 | -76.7 | 179.2 | 179.8 | 173.8 | 0 | 113.1 | Q464 L465 Q470 L471 A472 | Q464-K468 WeakPolarHBondContact O-CG 3.31Å; Q464-K468 PolarHBondContact O-N 3.48Å; L465-K468 PolarHBondContact O-N 2.77Å; K468-Q470 VanDerWaalsContact C-N 3.26Å; K468-Q470 PolarHBondContact O-N 3.36Å; K468-L471 CarbonylContact O-C 3.6Å; K468-L471 WeakPolarHBondContact O-CB 3.26Å; K468-L471 PolarHBondContact O-N 2.95Å; K468-L471 VanDerWaalsContact O-N 3.09Å; K468-A472 WeakPolarHBondContact O-CB 3.38Å; K468-A472 PolarHBondContact O-N 3.36Å |
| 469 | L | 85.5 | Confident | 79.8 | Confident | 106 Ų | 106 | 113.7 Ų | 113.7 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.8 | -43.3 | 176.2 | -178.1 | 67.6 | 0 | 0 | 0 | 109.9 | L465 L471 A472 D473 | L465-L469 VanDerWaalsContact O-CB 3.26Å; L465-L469 WeakPolarHBondContact O-CB 3.38Å; L465-L469 PolarHBondContact O-N 3.18Å; L469-L471 VanDerWaalsContact C-N 3.28Å; L469-L471 PolarHBondContact O-N 3.23Å; L469-A472 PolarHBondContact O-N 2.96Å; L469-A472 VanDerWaalsContact O-N 3.07Å; L469-D473 PolarHBondContact O-N 3.39Å |
| 470 | Q | 81.2 | Confident | 77.8 | Confident | 138 Ų | 138 | 111.9 Ų | 111.9 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.1 | -38.6 | 174.3 | -168.3 | 179.1 | 6.9 | 0 | 0 | 112.7 | R466 Q467 K468 M474 | R466-Q470 WeakPolarHBondContact O-CB 3.43Å; R466-Q470 PolarHBondContact O-N 3.48Å; Q467-Q470 WeakPolarHBondContact O-CB 3.36Å; Q467-Q470 PolarHBondContact O-N 3.05Å; K468-Q470 VanDerWaalsContact C-N 3.26Å; K468-Q470 PolarHBondContact O-N 3.36Å; Q470-M474 WeakPolarHBondContact O-CG 3.31Å; Q470-M474 PolarHBondContact O-N 3.01Å |
| 471 | L | 82.2 | Confident | 75.8 | Confident | 110 Ų | 110 | 112.8 Ų | 112.8 | 58% | 0.576 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.7 | -36.7 | 173.6 | -68.7 | 170.5 | 0 | 0 | 0 | 112.9 | Q467 K468 L469 M474 R475 | Q467-L471 PolarHBondContact O-N 2.85Å; K468-L471 CarbonylContact O-C 3.6Å; K468-L471 WeakPolarHBondContact O-CB 3.26Å; K468-L471 PolarHBondContact O-N 2.95Å; K468-L471 VanDerWaalsContact O-N 3.09Å; L469-L471 VanDerWaalsContact C-N 3.28Å; L469-L471 PolarHBondContact O-N 3.23Å; L471-M474 WeakPolarHBondContact O-CB 3.46Å; L471-M474 PolarHBondContact O-N 2.94Å; L471-R475 PolarHBondContact O-N 3.47Å |
| 472 | A | 80.4 | Confident | 73.4 | Confident | 48 Ų | 48 | 111.4 Ų | 111.4 | 40% | 0.397 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73 | -38.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K468 L469 M474 R475 N476 | K468-A472 WeakPolarHBondContact O-CB 3.38Å; K468-A472 PolarHBondContact O-N 3.36Å; L469-A472 PolarHBondContact O-N 2.96Å; L469-A472 VanDerWaalsContact O-N 3.07Å; A472-M474 PolarHBondContact O-N 3.37Å; A472-R475 CarbonylContact O-C 3.58Å; A472-R475 WeakPolarHBondContact O-CA 3.39Å; A472-R475 WeakPolarHBondContact O-CB 3.5Å; A472-R475 PolarHBondContact O-N 3.18Å; A472-N476 WeakPolarHBondContact O-CB 3.5Å; A472-N476 PolarHBondContact O-N 2.92Å |
| 473 | D | 76.7 | Confident | 71 | Confident | 90 Ų | 90 | 111.7 Ų | 111.7 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.4 | -38.4 | 172.2 | -75.1 | -24.8 | 0 | 0 | 0 | 110.5 | L469 R475 N476 Q477 | L469-D473 PolarHBondContact O-N 3.39Å; D473-R475 VanDerWaalsContact C-N 3.3Å; D473-R475 PolarHBondContact O-N 2.92Å; D473-N476 PolarHBondContact O-N 3.34Å; D473-Q477 PolarHBondContact O-N 3.28Å |
| 474 | M | 67.4 | Low | 69 | Low | 134 Ų | 134 | 113.8 Ų | 113.8 | 66% | 0.66 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.2 | -37.9 | 170.8 | -70.9 | -170.7 | 64.2 | 0 | 0 | 112.9 | Q470 L471 A472 Q477 | Q470-M474 WeakPolarHBondContact O-CG 3.31Å; Q470-M474 PolarHBondContact O-N 3.01Å; L471-M474 WeakPolarHBondContact O-CB 3.46Å; L471-M474 PolarHBondContact O-N 2.94Å; A472-M474 PolarHBondContact O-N 3.37Å; M474-Q477 WeakPolarHBondContact O-CB 3.48Å |
| 475 | R | 73.8 | Confident | 66.5 | Low | 163 Ų | 163 | 118.7 Ų | 118.7 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -80.3 | -35.5 | 179.7 | -173.9 | -175.9 | -179.5 | 154.7 | 2.7 | 113.7 | L471 A472 D473 Q477 E478 L479 | L471-R475 PolarHBondContact O-N 3.47Å; A472-R475 CarbonylContact O-C 3.58Å; A472-R475 WeakPolarHBondContact O-CA 3.39Å; A472-R475 WeakPolarHBondContact O-CB 3.5Å; A472-R475 PolarHBondContact O-N 3.18Å; D473-R475 VanDerWaalsContact C-N 3.3Å; D473-R475 PolarHBondContact O-N 2.92Å; R475-Q477 PolarHBondContact O-N 3.16Å; R475-E478 CarbonylContact O-C 3.39Å; R475-E478 WeakPolarHBondContact O-CA 3.38Å; R475-E478 VanDerWaalsContact O-CB 3.26Å; R475-E478 WeakPolarHBondContact O-CB 3.29Å; R475-E478 PolarHBondContact O-N 3.31Å; R475-L479 HydrophobicContact CG-CD1 4.25Å; R475-L479 PolarHBondContact O-N 2.99Å |
| 476 | N | 64.4 | Low | 64.6 | Low | 96 Ų | 96 | 118.4 Ų | 118.4 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72 | -25.7 | -179.4 | -132.7 | -10 | 0 | 0 | 0 | 111 | A472 D473 E478 L479 S480 | A472-N476 WeakPolarHBondContact O-CB 3.5Å; A472-N476 PolarHBondContact O-N 2.92Å; D473-N476 PolarHBondContact O-N 3.34Å; N476-E478 PolarHBondContact O-N 3.49Å; N476-L479 PolarHBondContact O-N 3.02Å; N476-S480 WeakPolarHBondContact O-CB 3.47Å; N476-S480 PolarHBondContact O-N 3.22Å; N476-S480 PolarHBondContact O-OG 3.43Å; N476-S480 VanDerWaalsContact O-OG 3.06Å |
| 477 | Q | 62.5 | Low | 62.3 | Low | 157 Ų | 157 | 115 Ų | 115 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -56.4 | -36.7 | 162.3 | -150.7 | 98.6 | 21.1 | 0 | 0 | 111.7 | D473 M474 R475 | D473-Q477 PolarHBondContact O-N 3.28Å; M474-Q477 WeakPolarHBondContact O-CB 3.48Å; R475-Q477 PolarHBondContact O-N 3.16Å |
| 478 | E | 52.6 | Low | 60.3 | Low | 142 Ų | 142 | 119.3 Ų | 119.3 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.5 | -35 | 178.2 | -54.9 | 175.1 | 155.8 | 0 | 0 | 112.9 | R475 N476 | R475-E478 CarbonylContact O-C 3.39Å; R475-E478 WeakPolarHBondContact O-CA 3.38Å; R475-E478 VanDerWaalsContact O-CB 3.26Å; R475-E478 WeakPolarHBondContact O-CB 3.29Å; R475-E478 PolarHBondContact O-N 3.31Å; N476-E478 PolarHBondContact O-N 3.49Å |
| 479 | L | 51.6 | Low | 58.4 | Low | 97 Ų | 97 | 117.7 Ų | 117.7 | 51% | 0.508 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -83.9 | -22.6 | -177 | -72.8 | 172.2 | 0 | 0 | 0 | 114.1 | R475 N476 E481 G482 | R475-L479 HydrophobicContact CG-CD1 4.25Å; R475-L479 PolarHBondContact O-N 2.99Å; N476-L479 PolarHBondContact O-N 3.02Å; L479-E481 PolarHBondContact O-N 2.87Å; L479-G482 PolarHBondContact O-N 3.03Å |
| 480 | S | 51.4 | Low | 56.7 | Low | 92 Ų | 92 | 118.4 Ų | 118.4 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -12.4 | 173.9 | -74.1 | 0 | 0 | 0 | 0 | 113.4 | N476 | N476-S480 WeakPolarHBondContact O-CB 3.47Å; N476-S480 PolarHBondContact O-N 3.22Å; N476-S480 PolarHBondContact O-OG 3.43Å; N476-S480 VanDerWaalsContact O-OG 3.06Å |
| 481 | E | 49.2 | Very low | 55.1 | Low | 184 Ų | 184 | 118.8 Ų | 118.8 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -7.5 | 170.7 | -69.5 | -175.5 | 167.4 | 0 | 0 | 114.3 | L479 | L479-E481 PolarHBondContact O-N 2.87Š|
| 482 | G | 43.2 | Very low | 53.8 | Low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -112.4 | -1.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | L479 A484 | L479-G482 PolarHBondContact O-N 3.03Å; G482-A484 PolarHBondContact O-N 3.48Å |
| 483 | A | 38.5 | Very low | 53.2 | Low | 91 Ų | 91 | 125.3 Ų | 125.3 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 12.7 | -155.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 484 | A | 44.4 | Very low | 52 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -9.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | G482 | G482-A484 PolarHBondContact O-N 3.48Š|
| 485 | D | 38.2 | Very low | 52.1 | Low | 162 Ų | 162 | 128.2 Ų | 128.2 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -131.6 | 79.7 | -162.4 | -137.1 | 8.7 | 0 | 0 | 0 | 114.8 | ||
| 486 | A | 49.8 | Very low | 52 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | trans | -178.7 | 61.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K488 P489 | A486-K488 VanDerWaalsContact C-N 3.3Å; A486-K488 PolarHBondContact O-N 3.02Å; A486-P489 WeakPolarHBondContact O-CD 3.39Å | ||
| 487 | S | 37.9 | Very low | 52.6 | Low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 70% | 0.695 | S | S | * | * | trans | -80.9 | 18 | -179.1 | 55 | 0 | 0 | 0 | 0 | 116.4 | P489 | S487-P489 VanDerWaalsContact C-CD 3.47Š| ||
| 488 | K | 44.9 | Very low | 53.4 | Low | 199 Ų | 199 | 123 Ų | 123 | 87% | 0.865 | 69% | 0.692 | S | S | * | * | trans | -93.5 | -2.8 | -175.4 | -77.6 | 176.1 | 179 | 171.7 | 0 | 119.4 | A486 L490 | A486-K488 VanDerWaalsContact C-N 3.3Å; A486-K488 PolarHBondContact O-N 3.02Å; K488-L490 VanDerWaalsContact C-N 3.35Å | ||
| 489 | P | 50.7 | Low | 54.5 | Low | 95 Ų | 95 | 120.4 Ų | 120.4 | 62% | 0.617 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -85 | -3.6 | 174.5 | 33.3 | -30.5 | 0 | 0 | 0 | 114.1 | A486 S487 L491 K492 | A486-P489 WeakPolarHBondContact O-CD 3.39Å; S487-P489 VanDerWaalsContact C-CD 3.47Å; P489-L491 VanDerWaalsContact C-N 3.3Å; P489-L491 PolarHBondContact O-N 3.5Å; P489-K492 PolarHBondContact O-N 2.88Å |
| 490 | L | 50.2 | Low | 56 | Low | 121 Ų | 121 | 118.3 Ų | 118.3 | 63% | 0.634 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -64.5 | -30.1 | -173.5 | -157.4 | 72.5 | 0 | 0 | 0 | 113.6 | K488 Q493 | K488-L490 VanDerWaalsContact C-N 3.35Å; L490-Q493 WeakPolarHBondContact O-CB 3.38Å; L490-Q493 PolarHBondContact O-N 2.88Å |
| 491 | L | 47.2 | Very low | 57.7 | Low | 146 Ų | 146 | 120.2 Ų | 120.2 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -78.6 | -18.9 | -178 | -73.9 | 170.3 | 0 | 0 | 0 | 114 | P489 Q493 | P489-L491 VanDerWaalsContact C-N 3.3Å; P489-L491 PolarHBondContact O-N 3.5Å; L491-Q493 VanDerWaalsContact C-N 3.29Å |
| 492 | K | 55.7 | Low | 59.4 | Low | 181 Ų | 181 | 121.1 Ų | 121.1 | 79% | 0.787 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -77.8 | -15 | 172.4 | -77.9 | -176.6 | 175 | -179.7 | 0 | 113 | P489 | P489-K492 PolarHBondContact O-N 2.88Š|
| 493 | Q | 66 | Low | 61.4 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 54% | 0.537 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -81.5 | -30.9 | -174.1 | -154.3 | 174 | 17.8 | 0 | 0 | 112.9 | L490 L491 S496 L497 | L490-Q493 WeakPolarHBondContact O-CB 3.38Å; L490-Q493 PolarHBondContact O-N 2.88Å; L491-Q493 VanDerWaalsContact C-N 3.29Å; Q493-S496 PolarHBondContact O-OG 3.24Å; Q493-L497 WeakPolarHBondContact O-CD1 3.49Å; Q493-L497 WeakPolarHBondContact O-CG 3.22Å; Q493-L497 PolarHBondContact O-N 3.38Å |
| 494 | M | 52.1 | Low | 63.8 | Low | 129 Ų | 129 | 122.4 Ų | 122.4 | 64% | 0.635 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.1 | -33.6 | -178.1 | -77 | 172.6 | 58.5 | 0 | 0 | 113.4 | L497 Q498 | M494-L497 PolarHBondContact O-N 3.09Å; M494-Q498 PolarHBondContact O-N 3.46Å |
| 495 | E | 68.8 | Low | 65.8 | Low | 155 Ų | 155 | 124.3 Ų | 124.3 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.3 | -33.7 | -178.7 | -151.6 | 169.8 | -158.4 | 0 | 0 | 111.7 | L497 S499 | E495-L497 VanDerWaalsContact C-N 3.33Å; E495-S499 PolarHBondContact O-N 3.45Å |
| 496 | S | 72.5 | Confident | 68.1 | Low | 78 Ų | 78 | 121 Ų | 121 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.3 | -33.6 | 172.7 | 92.4 | 0 | 0 | 0 | 0 | 112.1 | Q493 S500 | Q493-S496 PolarHBondContact O-OG 3.24Å; S496-S500 PolarHBondContact O-N 2.93Å; S496-S500 VanDerWaalsContact O-N 3.08Å |
| 497 | L | 77.2 | Confident | 69.9 | Low | 83 Ų | 83 | 121.7 Ų | 121.7 | 44% | 0.435 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -62.7 | -46.8 | 176.6 | -84.5 | 161 | 0 | 0 | 0 | 111.6 | Q493 M494 E495 S499 S500 F501 | Q493-L497 WeakPolarHBondContact O-CD1 3.49Å; Q493-L497 WeakPolarHBondContact O-CG 3.22Å; Q493-L497 PolarHBondContact O-N 3.38Å; M494-L497 PolarHBondContact O-N 3.09Å; E495-L497 VanDerWaalsContact C-N 3.33Å; L497-S499 PolarHBondContact O-N 3.48Å; L497-S500 PolarHBondContact O-N 3.45Å; L497-S500 PolarHBondContact O-OG 3.42Å; L497-F501 HydrophobicContact CD2-CE2 4.45Å; L497-F501 WeakPolarHBondContact O-CD2 3.31Å; L497-F501 PolarHBondContact O-N 2.92Å |
| 498 | Q | 79.9 | Confident | 72.4 | Confident | 145 Ų | 145 | 123.4 Ų | 123.4 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.4 | -38.1 | -179.7 | -77.4 | -174.9 | -17.1 | 0 | 0 | 113.6 | M494 F501 R502 | M494-Q498 PolarHBondContact O-N 3.46Å; Q498-F501 PolarHBondContact O-N 2.96Å; Q498-R502 PolarHBondContact O-N 3.19Å |
| 499 | S | 75.7 | Confident | 74.5 | Confident | 88 Ų | 88 | 118.3 Ų | 118.3 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.5 | -43.1 | 173 | 175 | 0 | 0 | 0 | 0 | 111.8 | E495 L497 F501 R502 S503 | E495-S499 PolarHBondContact O-N 3.45Å; L497-S499 PolarHBondContact O-N 3.48Å; S499-F501 VanDerWaalsContact C-N 3.34Å; S499-F501 PolarHBondContact O-N 3.27Å; S499-R502 PolarHBondContact O-N 2.77Å; S499-S503 PolarHBondContact O-N 3.25Å |
| 500 | S | 83 | Confident | 76.5 | Confident | 53 Ų | 53 | 120.1 Ų | 120.1 | 37% | 0.371 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.9 | -38 | 178.1 | 72.8 | 0 | 0 | 0 | 0 | 113 | S496 L497 R502 S503 Q504 | S496-S500 PolarHBondContact O-N 2.93Å; S496-S500 VanDerWaalsContact O-N 3.08Å; L497-S500 PolarHBondContact O-N 3.45Å; L497-S500 PolarHBondContact O-OG 3.42Å; S500-R502 PolarHBondContact O-N 3.43Å; S500-S503 PolarHBondContact O-N 2.95Å; S500-Q504 WeakPolarHBondContact O-CB 3.46Å; S500-Q504 PolarHBondContact O-N 3.46Å |
| 501 | F | 87 | Confident | 78.6 | Confident | 132 Ų | 132 | 116.5 Ų | 116.5 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.9 | -41.7 | 178.8 | -85.2 | -65.3 | 0 | 0 | 0 | 113 | L497 Q498 S499 Q504 Q505 | L497-F501 HydrophobicContact CD2-CE2 4.45Å; L497-F501 WeakPolarHBondContact O-CD2 3.31Å; L497-F501 PolarHBondContact O-N 2.92Å; Q498-F501 PolarHBondContact O-N 2.96Å; S499-F501 VanDerWaalsContact C-N 3.34Å; S499-F501 PolarHBondContact O-N 3.27Å; F501-Q504 PolarHBondContact O-N 2.77Å; F501-Q505 PolarHBondContact O-N 3.37Å |
| 502 | R | 85 | Confident | 80.6 | Confident | 203 Ų | 203 | 116.1 Ų | 116.1 | 77% | 0.766 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.6 | -43.8 | 178.9 | -71.1 | -164.7 | 179.6 | -142.3 | 2.3 | 112.3 | Q498 S499 S500 Q504 Q505 D506 | Q498-R502 PolarHBondContact O-N 3.19Å; S499-R502 PolarHBondContact O-N 2.77Å; S500-R502 PolarHBondContact O-N 3.43Å; R502-Q504 VanDerWaalsContact C-N 3.26Å; R502-Q504 PolarHBondContact O-N 2.99Å; R502-Q505 PolarHBondContact O-N 2.9Å; R502-D506 PolarHBondContact O-N 3.33Å |
| 503 | S | 83.7 | Confident | 82.2 | Confident | 86 Ų | 86 | 113 Ų | 113 | 60% | 0.601 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.2 | -40.4 | 175 | 180 | 0 | 0 | 0 | 0 | 111.8 | S499 S500 H507 | S499-S503 PolarHBondContact O-N 3.25Å; S500-S503 PolarHBondContact O-N 2.95Å; S503-H507 PolarHBondContact O-N 2.97Å; S503-H507 VanDerWaalsContact O-N 3.08Å |
| 504 | Q | 89.8 | Confident | 83.5 | Confident | 97 Ų | 97 | 113.3 Ų | 113.3 | 45% | 0.453 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -35.5 | -180 | -166.8 | 154.9 | 12.1 | 0 | 0 | 112.6 | S500 F501 R502 H507 W508 | S500-Q504 WeakPolarHBondContact O-CB 3.46Å; S500-Q504 PolarHBondContact O-N 3.46Å; F501-Q504 PolarHBondContact O-N 2.77Å; R502-Q504 VanDerWaalsContact C-N 3.26Å; R502-Q504 PolarHBondContact O-N 2.99Å; Q504-H507 WeakPolarHBondContact O-CB 3.46Å; Q504-H507 PolarHBondContact O-N 2.95Å; Q504-W508 PolarHBondContact O-N 3.23Å |
| 505 | Q | 87.2 | Confident | 85.3 | Confident | 141 Ų | 141 | 111.7 Ų | 111.7 | 66% | 0.659 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 175.6 | -172.7 | 156.4 | -10.7 | 0 | 0 | 112.6 | F501 R502 H507 W508 E509 | F501-Q505 PolarHBondContact O-N 3.37Å; R502-Q505 PolarHBondContact O-N 2.9Å; Q505-H507 VanDerWaalsContact C-N 3.25Å; Q505-H507 PolarHBondContact O-N 3.1Å; Q505-W508 PolarHBondContact O-N 2.92Å; Q505-W508 VanDerWaalsContact O-N 3.17Å; Q505-E509 PolarHBondContact O-N 3.34Å |
| 506 | D | 85.9 | Confident | 86.3 | Confident | 94 Ų | 94 | 107.1 Ų | 107.1 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -35.6 | 172.7 | -90.2 | 20.6 | 0 | 0 | 0 | 112.3 | R502 K510 | R502-D506 PolarHBondContact O-N 3.33Å; D506-K510 WeakPolarHBondContact O-CG 3.26Å; D506-K510 PolarHBondContact O-N 2.79Å |
| 507 | H | 87.2 | Confident | 87.2 | Confident | 102 Ų | 102 | 108.3 Ų | 108.3 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 173.9 | 170.3 | 73.4 | 0 | 0 | 0 | 111.5 | S503 Q504 Q505 E509 K510 V511 | S503-H507 PolarHBondContact O-N 2.97Å; S503-H507 VanDerWaalsContact O-N 3.08Å; Q504-H507 WeakPolarHBondContact O-CB 3.46Å; Q504-H507 PolarHBondContact O-N 2.95Å; Q505-H507 VanDerWaalsContact C-N 3.25Å; Q505-H507 PolarHBondContact O-N 3.1Å; H507-E509 PolarHBondContact O-N 3.42Å; H507-K510 PolarHBondContact O-N 2.93Å; H507-V511 WeakPolarHBondContact O-CG2 3.33Å; H507-V511 PolarHBondContact O-N 3.3Å |
| 508 | W | 90.1 | Very high | 87.9 | Confident | 149 Ų | 149 | 106.2 Ų | 106.2 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 178.4 | -72.8 | 119.5 | 0 | 0 | 0 | 112.9 | Q504 Q505 K510 V511 E512 | Q504-W508 PolarHBondContact O-N 3.23Å; Q505-W508 PolarHBondContact O-N 2.92Å; Q505-W508 VanDerWaalsContact O-N 3.17Å; W508-K510 VanDerWaalsContact C-N 3.32Å; W508-K510 PolarHBondContact O-N 2.88Å; W508-V511 PolarHBondContact O-N 3.49Å; W508-E512 WeakPolarHBondContact O-CB 3.46Å; W508-E512 PolarHBondContact O-N 3.43Å |
| 509 | E | 89.8 | Confident | 88.4 | Confident | 91 Ų | 91 | 107.8 Ų | 107.8 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 177.5 | -164.4 | -171.1 | 157.6 | 0 | 0 | 112.1 | Q505 H507 E512 K513 | Q505-E509 PolarHBondContact O-N 3.34Å; H507-E509 PolarHBondContact O-N 3.42Å; E509-E512 PolarHBondContact O-N 3.32Å; E509-K513 WeakPolarHBondContact O-CG 3.42Å; E509-K513 PolarHBondContact O-N 2.98Å; E509-K513 VanDerWaalsContact OE1-CE 3.3Å; E509-K513 WeakPolarHBondContact OE1-CE 3.39Å; E509-K513 IonicContact OE1-NZ 2.67Å; E509-K513 PolarHBondContact OE1-NZ 2.92Å |
| 510 | K | 92.7 | Very high | 89.1 | Confident | 134 Ų | 134 | 109.8 Ų | 109.8 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 173.6 | -72.5 | 168.9 | -174.4 | 168.5 | 0 | 111.5 | D506 H507 W508 E512 K513 L514 | D506-K510 WeakPolarHBondContact O-CG 3.26Å; D506-K510 PolarHBondContact O-N 2.79Å; H507-K510 PolarHBondContact O-N 2.93Å; W508-K510 VanDerWaalsContact C-N 3.32Å; W508-K510 PolarHBondContact O-N 2.88Å; K510-E512 VanDerWaalsContact C-N 3.32Å; K510-E512 PolarHBondContact O-N 2.87Å; K510-K513 PolarHBondContact O-N 3.48Å; K510-L514 VanDerWaalsContact O-CG 3.31Å; K510-L514 WeakPolarHBondContact O-CG 3.1Å; K510-L514 PolarHBondContact O-N 2.93Å |
| 511 | V | 93.2 | Very high | 89.5 | Confident | 44 Ų | 44 | 110.3 Ų | 110.3 | 27% | 0.267 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | H507 W508 L514 L515 | H507-V511 WeakPolarHBondContact O-CG2 3.33Å; H507-V511 PolarHBondContact O-N 3.3Å; W508-V511 PolarHBondContact O-N 3.49Å; V511-L514 PolarHBondContact O-N 3.39Å; V511-L515 HydrophobicContact CG1-CD1 3.99Å; V511-L515 HydrophobicContact CG1-CG 4.48Å; V511-L515 WeakPolarHBondContact O-CG 3.39Å; V511-L515 PolarHBondContact O-N 2.96Å |
| 512 | E | 89.8 | Confident | 89.8 | Confident | 138 Ų | 138 | 111.2 Ų | 111.2 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 178.6 | -168 | 175.2 | -169.5 | 0 | 0 | 112.1 | W508 E509 K510 L514 L515 A516 | W508-E512 WeakPolarHBondContact O-CB 3.46Å; W508-E512 PolarHBondContact O-N 3.43Å; E509-E512 PolarHBondContact O-N 3.32Å; K510-E512 VanDerWaalsContact C-N 3.32Å; K510-E512 PolarHBondContact O-N 2.87Å; E512-L514 PolarHBondContact O-N 3.36Å; E512-L515 PolarHBondContact O-N 3.35Å; E512-A516 WeakPolarHBondContact O-CB 3.35Å; E512-A516 PolarHBondContact O-N 3.46Å |
| 513 | K | 90.6 | Very high | 90.1 | Very high | 117 Ų | 117 | 104.5 Ų | 104.5 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 174.5 | -73.5 | 173.5 | -173.4 | 165.3 | 0 | 112.5 | E509 K510 A516 N517 | E509-K513 WeakPolarHBondContact O-CG 3.42Å; E509-K513 PolarHBondContact O-N 2.98Å; E509-K513 VanDerWaalsContact OE1-CE 3.3Å; E509-K513 WeakPolarHBondContact OE1-CE 3.39Å; E509-K513 IonicContact OE1-NZ 2.67Å; E509-K513 PolarHBondContact OE1-NZ 2.92Å; K510-K513 PolarHBondContact O-N 3.48Å; K513-A516 PolarHBondContact O-N 2.79Å; K513-N517 WeakPolarHBondContact O-CB 3.28Å; K513-N517 VanDerWaalsContact O-CG 3.28Å; K513-N517 PolarHBondContact O-N 3.28Å; K513-N517 PolarHBondContact O-ND2 3.33Å |
| 514 | L | 92.1 | Very high | 90.4 | Very high | 120 Ų | 120 | 104.5 Ų | 104.5 | 63% | 0.628 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 176.2 | -72.9 | 173.6 | 0 | 0 | 0 | 111.5 | K510 V511 E512 N517 A518 | K510-L514 VanDerWaalsContact O-CG 3.31Å; K510-L514 WeakPolarHBondContact O-CG 3.1Å; K510-L514 PolarHBondContact O-N 2.93Å; V511-L514 PolarHBondContact O-N 3.39Å; E512-L514 PolarHBondContact O-N 3.36Å; L514-N517 PolarHBondContact O-N 2.83Å; L514-A518 WeakPolarHBondContact O-CB 3.27Å; L514-A518 PolarHBondContact O-N 2.91Å |
| 515 | L | 91 | Very high | 90.5 | Very high | 95 Ų | 95 | 103.7 Ų | 103.7 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 175.8 | -73.4 | 169.5 | 0 | 0 | 0 | 111.5 | V511 E512 N517 A518 Y519 | V511-L515 HydrophobicContact CG1-CD1 3.99Å; V511-L515 HydrophobicContact CG1-CG 4.48Å; V511-L515 WeakPolarHBondContact O-CG 3.39Å; V511-L515 PolarHBondContact O-N 2.96Å; E512-L515 PolarHBondContact O-N 3.35Å; L515-N517 VanDerWaalsContact C-N 3.32Å; L515-N517 PolarHBondContact O-N 3.48Å; L515-A518 PolarHBondContact O-N 3.29Å; L515-A518 VanDerWaalsContact O-N 3.14Å; L515-Y519 VanDerWaalsContact O-CD2 3.24Å; L515-Y519 WeakPolarHBondContact O-CD2 3.44Å; L515-Y519 PolarHBondContact O-N 2.99Å |
| 516 | A | 89.1 | Confident | 90.7 | Very high | 60 Ų | 60 | 99.8 Ų | 99.8 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E512 K513 Y519 K520 | E512-A516 WeakPolarHBondContact O-CB 3.35Å; E512-A516 PolarHBondContact O-N 3.46Å; K513-A516 PolarHBondContact O-N 2.79Å; A516-Y519 PolarHBondContact O-N 3.02Å; A516-K520 PolarHBondContact O-N 3.5Å; A516-K520 VanDerWaalsContact O-N 3.1Å |
| 517 | N | 90.6 | Very high | 90.9 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 174.7 | -72.6 | -22.2 | 0 | 0 | 0 | 112.1 | K513 L514 L515 K520 T521 | K513-N517 WeakPolarHBondContact O-CB 3.28Å; K513-N517 VanDerWaalsContact O-CG 3.28Å; K513-N517 PolarHBondContact O-N 3.28Å; K513-N517 PolarHBondContact O-ND2 3.33Å; L514-N517 PolarHBondContact O-N 2.83Å; L515-N517 VanDerWaalsContact C-N 3.32Å; L515-N517 PolarHBondContact O-N 3.48Å; N517-K520 PolarHBondContact O-N 3.23Å; N517-T521 WeakPolarHBondContact O-CG2 3.46Å; N517-T521 PolarHBondContact O-N 3.38Å; N517-T521 PolarHBondContact O-OG1 3.42Å |
| 518 | A | 92.6 | Very high | 91 | Very high | 39 Ų | 39 | 104.4 Ų | 104.4 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L514 L515 K520 T521 F522 | L514-A518 WeakPolarHBondContact O-CB 3.27Å; L514-A518 PolarHBondContact O-N 2.91Å; L515-A518 PolarHBondContact O-N 3.29Å; L515-A518 VanDerWaalsContact O-N 3.14Å; A518-K520 VanDerWaalsContact C-N 3.31Å; A518-K520 PolarHBondContact O-N 3.5Å; A518-T521 PolarHBondContact O-N 3.49Å; A518-T521 PolarHBondContact O-OG1 3.38Å; A518-F522 WeakPolarHBondContact O-CB 3.44Å; A518-F522 WeakPolarHBondContact O-CD2 3.36Å; A518-F522 PolarHBondContact O-N 3.05Å |
| 519 | Y | 89.8 | Confident | 91.1 | Very high | 178 Ų | 178 | 104 Ų | 104 | 70% | 0.698 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 174.8 | -87 | -72.1 | 0 | 0 | 0 | 112.1 | L515 A516 F522 S523 | L515-Y519 VanDerWaalsContact O-CD2 3.24Å; L515-Y519 WeakPolarHBondContact O-CD2 3.44Å; L515-Y519 PolarHBondContact O-N 2.99Å; A516-Y519 PolarHBondContact O-N 3.02Å; Y519-F522 PolarHBondContact O-N 3.1Å; Y519-S523 PolarHBondContact O-N 3.04Å |
| 520 | K | 91.3 | Very high | 91.2 | Very high | 130 Ų | 130 | 104.5 Ų | 104.5 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -48.5 | 176.9 | -177.4 | 177.5 | 173.4 | -179 | 0 | 112.1 | A516 N517 A518 F522 S523 E524 | A516-K520 PolarHBondContact O-N 3.5Å; A516-K520 VanDerWaalsContact O-N 3.1Å; N517-K520 PolarHBondContact O-N 3.23Å; A518-K520 VanDerWaalsContact C-N 3.31Å; A518-K520 PolarHBondContact O-N 3.5Å; K520-F522 VanDerWaalsContact C-N 3.34Å; K520-F522 PolarHBondContact O-N 2.95Å; K520-S523 PolarHBondContact O-N 3.41Å; K520-E524 WeakPolarHBondContact CE-OE1 3.44Å; K520-E524 WeakPolarHBondContact O-CG 3.36Å; K520-E524 PolarHBondContact O-N 2.92Å |
| 521 | T | 92.2 | Very high | 91.2 | Very high | 64 Ų | 64 | 103.3 Ų | 103.3 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | N517 A518 E524 I525 | N517-T521 WeakPolarHBondContact O-CG2 3.46Å; N517-T521 PolarHBondContact O-N 3.38Å; N517-T521 PolarHBondContact O-OG1 3.42Å; A518-T521 PolarHBondContact O-N 3.49Å; A518-T521 PolarHBondContact O-OG1 3.38Å; T521-E524 PolarHBondContact O-N 2.92Å; T521-I525 WeakPolarHBondContact O-CB 3.28Å; T521-I525 WeakPolarHBondContact O-CD1 3.36Å; T521-I525 WeakPolarHBondContact O-CG1 3.27Å; T521-I525 PolarHBondContact O-N 3.13Å |
| 522 | F | 91.5 | Very high | 91.1 | Very high | 152 Ų | 152 | 105.7 Ų | 105.7 | 67% | 0.667 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 174.6 | -89.6 | -115.7 | 0 | 0 | 0 | 112.1 | A518 Y519 K520 I525 A526 | A518-F522 WeakPolarHBondContact O-CB 3.44Å; A518-F522 WeakPolarHBondContact O-CD2 3.36Å; A518-F522 PolarHBondContact O-N 3.05Å; Y519-F522 PolarHBondContact O-N 3.1Å; K520-F522 VanDerWaalsContact C-N 3.34Å; K520-F522 PolarHBondContact O-N 2.95Å; F522-I525 PolarHBondContact O-N 2.94Å; F522-A526 WeakPolarHBondContact O-CB 3.46Å; F522-A526 PolarHBondContact O-N 2.94Å |
| 523 | S | 91.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 101.9 Ų | 101.9 | 43% | 0.434 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 175.4 | -164.7 | 0 | 0 | 0 | 0 | 111.6 | Y519 K520 I525 A526 E527 | Y519-S523 PolarHBondContact O-N 3.04Å; K520-S523 PolarHBondContact O-N 3.41Å; S523-I525 VanDerWaalsContact C-N 3.33Å; S523-I525 PolarHBondContact O-N 3.45Å; S523-A526 PolarHBondContact O-N 3.4Å; S523-E527 PolarHBondContact O-N 3.31Å |
| 524 | E | 90.6 | Very high | 91.2 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 178.4 | -70.7 | 172.4 | -177.6 | 0 | 0 | 112.3 | K520 T521 R528 | K520-E524 WeakPolarHBondContact CE-OE1 3.44Å; K520-E524 WeakPolarHBondContact O-CG 3.36Å; K520-E524 PolarHBondContact O-N 2.92Å; T521-E524 PolarHBondContact O-N 2.92Å; E524-R528 WeakPolarHBondContact O-CB 3.35Å; E524-R528 PolarHBondContact O-N 2.83Å |
| 525 | I | 91.6 | Very high | 91.1 | Very high | 80 Ų | 80 | 101.4 Ų | 101.4 | 41% | 0.41 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 175.5 | -69.5 | 164.4 | 0 | 0 | 0 | 111 | T521 F522 S523 R528 K529 | T521-I525 WeakPolarHBondContact O-CB 3.28Å; T521-I525 WeakPolarHBondContact O-CD1 3.36Å; T521-I525 WeakPolarHBondContact O-CG1 3.27Å; T521-I525 PolarHBondContact O-N 3.13Å; F522-I525 PolarHBondContact O-N 2.94Å; S523-I525 VanDerWaalsContact C-N 3.33Å; S523-I525 PolarHBondContact O-N 3.45Å; I525-R528 PolarHBondContact O-N 3.24Å; I525-K529 HydrophobicContact CG2-CD 4.33Å; I525-K529 WeakPolarHBondContact O-CG 3.46Å; I525-K529 PolarHBondContact O-N 2.99Å |
| 526 | A | 91.8 | Very high | 91.2 | Very high | 58 Ų | 58 | 102.5 Ų | 102.5 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F522 S523 R528 K529 L530 | F522-A526 WeakPolarHBondContact O-CB 3.46Å; F522-A526 PolarHBondContact O-N 2.94Å; S523-A526 PolarHBondContact O-N 3.4Å; A526-R528 PolarHBondContact O-N 2.88Å; A526-K529 PolarHBondContact O-N 3.46Å; A526-L530 PolarHBondContact O-N 2.87Å |
| 527 | E | 90.8 | Very high | 91.3 | Very high | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 175.2 | -73.8 | 175.6 | -167.7 | 0 | 0 | 111.9 | S523 K529 L530 L531 | S523-E527 PolarHBondContact O-N 3.31Å; E527-K529 PolarHBondContact O-N 2.77Å; E527-L530 PolarHBondContact O-N 3.38Å; E527-L531 PolarHBondContact O-N 2.88Å |
| 528 | R | 89.2 | Confident | 91.4 | Very high | 169 Ų | 169 | 103.6 Ų | 103.6 | 64% | 0.638 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | 178.3 | -164.2 | -176.8 | -69.1 | 143.2 | 0.2 | 112.2 | E524 I525 A526 L530 L531 E532 | E524-R528 WeakPolarHBondContact O-CB 3.35Å; E524-R528 PolarHBondContact O-N 2.83Å; I525-R528 PolarHBondContact O-N 3.24Å; A526-R528 PolarHBondContact O-N 2.88Å; R528-L530 VanDerWaalsContact C-N 3.34Å; R528-L531 PolarHBondContact O-N 2.89Å; R528-E532 WeakPolarHBondContact O-CB 3.36Å; R528-E532 PolarHBondContact O-N 3.48Å |
| 529 | K | 92.1 | Very high | 91.4 | Very high | 142 Ų | 142 | 107.1 Ų | 107.1 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.1 | -36.4 | 175.6 | -78.1 | -177.1 | 174.5 | -175.7 | 0 | 112.6 | I525 A526 E527 A533 | I525-K529 HydrophobicContact CG2-CD 4.33Å; I525-K529 WeakPolarHBondContact O-CG 3.46Å; I525-K529 PolarHBondContact O-N 2.99Å; A526-K529 PolarHBondContact O-N 3.46Å; E527-K529 PolarHBondContact O-N 2.77Å; K529-A533 WeakPolarHBondContact O-CB 3.16Å; K529-A533 PolarHBondContact O-N 3.41Å |
| 530 | L | 92.1 | Very high | 91.4 | Very high | 100 Ų | 100 | 101.9 Ų | 101.9 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 177.1 | -165.1 | 153.8 | 0 | 0 | 0 | 110.5 | A526 E527 R528 E532 A533 E534 | A526-L530 PolarHBondContact O-N 2.87Å; E527-L530 PolarHBondContact O-N 3.38Å; R528-L530 VanDerWaalsContact C-N 3.34Å; L530-E532 PolarHBondContact O-N 3.27Å; L530-A533 WeakPolarHBondContact O-CB 3.27Å; L530-A533 PolarHBondContact O-N 3.4Å; L530-E534 HydrophobicContact CD2-CG 4.09Å; L530-E534 VanDerWaalsContact CD2-OE1 3.29Å; L530-E534 WeakPolarHBondContact CD2-OE1 3.47Å; L530-E534 WeakPolarHBondContact O-CG 3.28Å; L530-E534 PolarHBondContact O-N 3.03Å |
| 531 | L | 92 | Very high | 91.4 | Very high | 109 Ų | 109 | 100.1 Ų | 100.1 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | 174.1 | -75.8 | 171 | 0 | 0 | 0 | 112.7 | E527 R528 A533 E534 E535 | E527-L531 PolarHBondContact O-N 2.88Å; R528-L531 PolarHBondContact O-N 2.89Å; L531-A533 VanDerWaalsContact C-N 3.29Å; L531-A533 PolarHBondContact O-N 3.28Å; L531-E534 PolarHBondContact O-N 2.96Å; L531-E535 WeakPolarHBondContact O-CB 3.42Å; L531-E535 PolarHBondContact O-N 3.15Å |
| 532 | E | 91.2 | Very high | 91.4 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 176.7 | -166.8 | -171.8 | 156.7 | 0 | 0 | 111.9 | R528 L530 K536 | R528-E532 WeakPolarHBondContact O-CB 3.36Å; R528-E532 PolarHBondContact O-N 3.48Å; L530-E532 PolarHBondContact O-N 3.27Å; E532-K536 WeakPolarHBondContact O-CB 3.33Å; E532-K536 WeakPolarHBondContact O-CG 3.49Å; E532-K536 PolarHBondContact O-N 3.43Å; E532-K536 WeakPolarHBondContact OE1-CE 3.43Å; E532-K536 IonicContact OE1-NZ 2.88Å; E532-K536 PolarHBondContact OE1-NZ 3.38Å |
| 533 | A | 91.8 | Very high | 91.5 | Very high | 58 Ų | 58 | 96.5 Ų | 96.5 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | K529 L530 L531 K536 N537 | K529-A533 WeakPolarHBondContact O-CB 3.16Å; K529-A533 PolarHBondContact O-N 3.41Å; L530-A533 WeakPolarHBondContact O-CB 3.27Å; L530-A533 PolarHBondContact O-N 3.4Å; L531-A533 VanDerWaalsContact C-N 3.29Å; L531-A533 PolarHBondContact O-N 3.28Å; A533-K536 PolarHBondContact O-N 2.9Å; A533-N537 WeakPolarHBondContact O-CB 3.36Å; A533-N537 PolarHBondContact O-N 3Å |
| 534 | E | 91.5 | Very high | 91.6 | Very high | 107 Ų | 107 | 96.8 Ų | 96.8 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 173.7 | -73.6 | 180 | 166.7 | 0 | 0 | 111.6 | L530 L531 N537 V538 | L530-E534 HydrophobicContact CD2-CG 4.09Å; L530-E534 VanDerWaalsContact CD2-OE1 3.29Å; L530-E534 WeakPolarHBondContact CD2-OE1 3.47Å; L530-E534 WeakPolarHBondContact O-CG 3.28Å; L530-E534 PolarHBondContact O-N 3.03Å; L531-E534 PolarHBondContact O-N 2.96Å; E534-N537 WeakPolarHBondContact O-CB 3.32Å; E534-N537 PolarHBondContact O-N 3.3Å; E534-V538 WeakPolarHBondContact O-CG2 3.31Å; E534-V538 PolarHBondContact O-N 3.09Å |
| 535 | E | 90.1 | Very high | 91.7 | Very high | 119 Ų | 119 | 94.9 Ų | 94.9 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.1 | -45.6 | 176.8 | -170.4 | -178.8 | 171.7 | 0 | 0 | 111.6 | L531 N537 V538 Q539 | L531-E535 WeakPolarHBondContact O-CB 3.42Å; L531-E535 PolarHBondContact O-N 3.15Å; E535-N537 VanDerWaalsContact C-N 3.3Å; E535-N537 PolarHBondContact O-N 3.1Å; E535-V538 PolarHBondContact O-N 2.78Å; E535-Q539 WeakPolarHBondContact O-CG 3.35Å; E535-Q539 PolarHBondContact O-N 3.35Å; E535-Q539 PolarHBondContact OE1-NE2 2.89Å |
| 536 | K | 92.9 | Very high | 91.7 | Very high | 118 Ų | 118 | 95 Ų | 95 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 174.5 | -74.4 | 175.4 | -173.7 | 167.3 | 0 | 112.2 | E532 A533 Q539 S540 | E532-K536 WeakPolarHBondContact O-CB 3.33Å; E532-K536 WeakPolarHBondContact O-CG 3.49Å; E532-K536 PolarHBondContact O-N 3.43Å; E532-K536 WeakPolarHBondContact OE1-CE 3.43Å; E532-K536 IonicContact OE1-NZ 2.88Å; E532-K536 PolarHBondContact OE1-NZ 3.38Å; A533-K536 PolarHBondContact O-N 2.9Å; K536-Q539 PolarHBondContact O-N 3.28Å; K536-S540 WeakPolarHBondContact O-CB 3.21Å; K536-S540 PolarHBondContact O-N 2.83Å |
| 537 | N | 90.2 | Very high | 91.7 | Very high | 92 Ų | 92 | 97.9 Ų | 97.9 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 176.4 | -168.3 | -42.3 | 0 | 0 | 0 | 111.2 | A533 E534 E535 Q539 S540 N541 | A533-N537 WeakPolarHBondContact O-CB 3.36Å; A533-N537 PolarHBondContact O-N 3Å; E534-N537 WeakPolarHBondContact O-CB 3.32Å; E534-N537 PolarHBondContact O-N 3.3Å; E535-N537 VanDerWaalsContact C-N 3.3Å; E535-N537 PolarHBondContact O-N 3.1Å; N537-Q539 PolarHBondContact O-N 2.81Å; N537-S540 PolarHBondContact O-N 3.12Å; N537-N541 WeakPolarHBondContact O-CB 3.44Å; N537-N541 VanDerWaalsContact O-CG 3.23Å; N537-N541 PolarHBondContact O-N 2.84Å; N537-N541 PolarHBondContact O-ND2 2.8Å; N537-N541 PolarHBondContact OD1-ND2 3.32Å |
| 538 | V | 93.4 | Very high | 91.8 | Very high | 93 Ų | 93 | 97.8 Ų | 97.8 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -44.2 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | E534 E535 N541 L542 | E534-V538 WeakPolarHBondContact O-CG2 3.31Å; E534-V538 PolarHBondContact O-N 3.09Å; E535-V538 PolarHBondContact O-N 2.78Å; V538-N541 PolarHBondContact O-N 3.3Å; V538-L542 WeakPolarHBondContact O-CB 3.43Å; V538-L542 PolarHBondContact O-N 2.86Å |
| 539 | Q | 92.2 | Very high | 92 | Very high | 113 Ų | 113 | 95.9 Ų | 95.9 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 176.2 | -73.1 | 177.1 | 7.8 | 0 | 0 | 111.9 | E535 K536 N537 L542 A543 | E535-Q539 WeakPolarHBondContact O-CG 3.35Å; E535-Q539 PolarHBondContact O-N 3.35Å; E535-Q539 PolarHBondContact OE1-NE2 2.89Å; K536-Q539 PolarHBondContact O-N 3.28Å; N537-Q539 PolarHBondContact O-N 2.81Å; Q539-L542 PolarHBondContact O-N 3.07Å; Q539-A543 PolarHBondContact O-N 2.9Å |
| 540 | S | 89.8 | Confident | 92.1 | Very high | 69 Ų | 69 | 95 Ų | 95 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | K536 N537 L542 A543 V544 | K536-S540 WeakPolarHBondContact O-CB 3.21Å; K536-S540 PolarHBondContact O-N 2.83Å; N537-S540 PolarHBondContact O-N 3.12Å; S540-L542 VanDerWaalsContact C-N 3.32Å; S540-L542 PolarHBondContact O-N 3.4Å; S540-A543 PolarHBondContact O-N 3.4Å; S540-V544 WeakPolarHBondContact O-CG2 3.5Å; S540-V544 PolarHBondContact O-N 3.09Å |
| 541 | N | 91.5 | Very high | 92.1 | Very high | 92 Ų | 92 | 92.3 Ų | 92.3 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 177.5 | -69.5 | -25.7 | 0 | 0 | 0 | 112.5 | N537 V538 V544 S545 | N537-N541 WeakPolarHBondContact O-CB 3.44Å; N537-N541 VanDerWaalsContact O-CG 3.23Å; N537-N541 PolarHBondContact O-N 2.84Å; N537-N541 PolarHBondContact O-ND2 2.8Å; N537-N541 PolarHBondContact OD1-ND2 3.32Å; V538-N541 PolarHBondContact O-N 3.3Å; N541-V544 PolarHBondContact O-N 2.98Å; N541-S545 WeakPolarHBondContact O-CB 3.37Å; N541-S545 PolarHBondContact O-N 3.08Å |
| 542 | L | 92.7 | Very high | 92.2 | Very high | 102 Ų | 102 | 89.4 Ų | 89.4 | 53% | 0.534 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67 | -44.7 | 177.5 | -156.7 | 154.9 | 0 | 0 | 0 | 110.6 | V538 Q539 S540 V544 S545 E546 | V538-L542 WeakPolarHBondContact O-CB 3.43Å; V538-L542 PolarHBondContact O-N 2.86Å; Q539-L542 PolarHBondContact O-N 3.07Å; S540-L542 VanDerWaalsContact C-N 3.32Å; S540-L542 PolarHBondContact O-N 3.4Å; L542-V544 PolarHBondContact O-N 3.38Å; L542-S545 PolarHBondContact O-N 3.35Å; L542-E546 HydrophobicContact CD2-CG 4.3Å; L542-E546 PolarHBondContact O-N 3.29Å |
| 543 | A | 92.5 | Very high | 92.3 | Very high | 39 Ų | 39 | 90.4 Ų | 90.4 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q539 S540 S545 E546 H547 | Q539-A543 PolarHBondContact O-N 2.9Å; S540-A543 PolarHBondContact O-N 3.4Å; A543-S545 PolarHBondContact O-N 3.42Å; A543-E546 PolarHBondContact O-N 3.03Å; A543-H547 PolarHBondContact O-CD2 3.23Å; A543-H547 PolarHBondContact O-N 2.99Å |
| 544 | V | 93 | Very high | 92.3 | Very high | 68 Ų | 68 | 93.1 Ų | 93.1 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58 | -46.9 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | S540 N541 L542 E546 H547 E548 | S540-V544 WeakPolarHBondContact O-CG2 3.5Å; S540-V544 PolarHBondContact O-N 3.09Å; N541-V544 PolarHBondContact O-N 2.98Å; L542-V544 PolarHBondContact O-N 3.38Å; V544-E546 VanDerWaalsContact C-N 3.3Å; V544-E546 PolarHBondContact O-N 3.27Å; V544-H547 PolarHBondContact O-N 3.48Å; V544-H547 VanDerWaalsContact O-N 3.11Å; V544-E548 HydrophobicContact CG1-CG 4.28Å; V544-E548 WeakPolarHBondContact O-CG 3.48Å; V544-E548 PolarHBondContact O-N 2.93Å |
| 545 | S | 93.3 | Very high | 92.4 | Very high | 46 Ų | 46 | 94.1 Ų | 94.1 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 113 | N541 L542 A543 K549 | N541-S545 WeakPolarHBondContact O-CB 3.37Å; N541-S545 PolarHBondContact O-N 3.08Å; L542-S545 PolarHBondContact O-N 3.35Å; A543-S545 PolarHBondContact O-N 3.42Å; S545-K549 VanDerWaalsContact O-CG 3.31Å; S545-K549 WeakPolarHBondContact O-CG 3.28Å; S545-K549 PolarHBondContact O-N 3.41Å |
| 546 | E | 92.3 | Very high | 92.6 | Very high | 81 Ų | 81 | 92.1 Ų | 92.1 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 174.1 | -65.4 | -171.6 | 178.8 | 0 | 0 | 112.7 | L542 A543 V544 K549 R550 | L542-E546 HydrophobicContact CD2-CG 4.3Å; L542-E546 PolarHBondContact O-N 3.29Å; A543-E546 PolarHBondContact O-N 3.03Å; V544-E546 VanDerWaalsContact C-N 3.3Å; V544-E546 PolarHBondContact O-N 3.27Å; E546-K549 PolarHBondContact O-N 3.46Å; E546-R550 VanDerWaalsContact CB-NH1 3.29Å; E546-R550 WeakPolarHBondContact O-CG 3.49Å; E546-R550 PolarHBondContact O-N 3.35Å; E546-R550 IonicContact OE2-CZ 2.77Å; E546-R550 IonicContact OE2-NH1 3.68Å; E546-R550 PolarHBondContact OE2-NH1 3.48Å; E546-R550 VanDerWaalsContact OE2-NH1 3.08Å; E546-R550 IonicContact OE2-NH2 2.7Å; E546-R550 PolarHBondContact OE2-NH2 3.48Å |
| 547 | H | 90.4 | Very high | 92.7 | Very high | 119 Ų | 119 | 92.8 Ų | 92.8 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.1 | -40 | 175.5 | -71.3 | -58.8 | 0 | 0 | 0 | 111.8 | A543 V544 R550 A551 | A543-H547 PolarHBondContact O-CD2 3.23Å; A543-H547 PolarHBondContact O-N 2.99Å; V544-H547 PolarHBondContact O-N 3.48Å; V544-H547 VanDerWaalsContact O-N 3.11Å; H547-R550 PolarHBondContact O-N 3.09Å; H547-A551 WeakPolarHBondContact O-CB 3.42Å; H547-A551 PolarHBondContact O-N 2.96Å |
| 548 | E | 94 | Very high | 92.8 | Very high | 123 Ų | 123 | 94.6 Ų | 94.6 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 172.9 | -74.1 | 175.2 | 166.3 | 0 | 0 | 111.6 | V544 R550 A551 A552 | V544-E548 HydrophobicContact CG1-CG 4.28Å; V544-E548 WeakPolarHBondContact O-CG 3.48Å; V544-E548 PolarHBondContact O-N 2.93Å; E548-R550 PolarHBondContact O-N 2.64Å; E548-A551 PolarHBondContact O-N 3.23Å; E548-A552 WeakPolarHBondContact O-CB 3.37Å; E548-A552 PolarHBondContact O-N 2.59Å |
| 549 | K | 94 | Very high | 92.9 | Very high | 129 Ų | 129 | 94 Ų | 94 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 174.6 | -73.6 | 172.2 | -172.9 | 172.7 | 0 | 112 | S545 E546 Q553 | S545-K549 VanDerWaalsContact O-CG 3.31Å; S545-K549 WeakPolarHBondContact O-CG 3.28Å; S545-K549 PolarHBondContact O-N 3.41Å; E546-K549 PolarHBondContact O-N 3.46Å; K549-Q553 WeakPolarHBondContact O-CB 3.39Å; K549-Q553 VanDerWaalsContact O-CG 3.24Å; K549-Q553 WeakPolarHBondContact O-CG 3.19Å; K549-Q553 PolarHBondContact O-N 2.84Å |
| 550 | R | 94 | Very high | 93 | Very high | 123 Ų | 123 | 93.1 Ų | 93.1 | 46% | 0.464 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 177.1 | -71.4 | 178.9 | -170.8 | 104.5 | 4.8 | 111.6 | E546 H547 E548 Q553 L554 | E546-R550 VanDerWaalsContact CB-NH1 3.29Å; E546-R550 WeakPolarHBondContact O-CG 3.49Å; E546-R550 PolarHBondContact O-N 3.35Å; E546-R550 IonicContact OE2-CZ 2.77Å; E546-R550 IonicContact OE2-NH1 3.68Å; E546-R550 PolarHBondContact OE2-NH1 3.48Å; E546-R550 VanDerWaalsContact OE2-NH1 3.08Å; E546-R550 IonicContact OE2-NH2 2.7Å; E546-R550 PolarHBondContact OE2-NH2 3.48Å; H547-R550 PolarHBondContact O-N 3.09Å; E548-R550 PolarHBondContact O-N 2.64Å; R550-Q553 PolarHBondContact O-N 3.23Å; R550-L554 WeakPolarHBondContact O-CG 3.49Å; R550-L554 PolarHBondContact O-N 2.98Å |
| 551 | A | 91.5 | Very high | 93.1 | Very high | 44 Ų | 44 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | H547 E548 Q553 L554 E555 | H547-A551 WeakPolarHBondContact O-CB 3.42Å; H547-A551 PolarHBondContact O-N 2.96Å; E548-A551 PolarHBondContact O-N 3.23Å; A551-Q553 VanDerWaalsContact C-N 3.31Å; A551-Q553 PolarHBondContact O-N 2.75Å; A551-L554 PolarHBondContact O-N 2.81Å; A551-L554 VanDerWaalsContact O-N 3.07Å; A551-E555 WeakPolarHBondContact O-CG 3.33Å; A551-E555 PolarHBondContact O-N 3.25Å |
| 552 | A | 93.5 | Very high | 93.3 | Very high | 48 Ų | 48 | 91.4 Ų | 91.4 | 40% | 0.397 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E548 T556 | E548-A552 WeakPolarHBondContact O-CB 3.37Å; E548-A552 PolarHBondContact O-N 2.59Å; A552-T556 WeakPolarHBondContact O-CG2 3.49Å; A552-T556 PolarHBondContact O-N 2.91Å; A552-T556 PolarHBondContact O-OG1 2.82Å |
| 553 | Q | 93.5 | Very high | 93.3 | Very high | 115 Ų | 115 | 90 Ų | 90 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 173.8 | -75.8 | 175.5 | 9.4 | 0 | 0 | 113 | K549 R550 A551 T556 K557 | K549-Q553 WeakPolarHBondContact O-CB 3.39Å; K549-Q553 VanDerWaalsContact O-CG 3.24Å; K549-Q553 WeakPolarHBondContact O-CG 3.19Å; K549-Q553 PolarHBondContact O-N 2.84Å; R550-Q553 PolarHBondContact O-N 3.23Å; A551-Q553 VanDerWaalsContact C-N 3.31Å; A551-Q553 PolarHBondContact O-N 2.75Å; Q553-T556 WeakPolarHBondContact CA-OG1 3.45Å; Q553-T556 PolarHBondContact O-OG1 2.96Å; Q553-K557 WeakPolarHBondContact O-CB 3.48Å; Q553-K557 VanDerWaalsContact O-CG 3.26Å; Q553-K557 WeakPolarHBondContact O-CG 3.4Å; Q553-K557 PolarHBondContact O-N 2.54Å; Q553-K557 VanDerWaalsContact O-N 3.16Å |
| 554 | L | 92 | Very high | 93.4 | Very high | 116 Ų | 116 | 92.3 Ų | 92.3 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.4 | -38.5 | 175.6 | -73.9 | 173.2 | 0 | 0 | 0 | 111.6 | R550 A551 K557 L558 | R550-L554 WeakPolarHBondContact O-CG 3.49Å; R550-L554 PolarHBondContact O-N 2.98Å; A551-L554 PolarHBondContact O-N 2.81Å; A551-L554 VanDerWaalsContact O-N 3.07Å; L554-K557 PolarHBondContact O-N 2.88Å; L554-L558 VanDerWaalsContact O-CB 3.3Å; L554-L558 WeakPolarHBondContact O-CB 3.48Å; L554-L558 PolarHBondContact O-N 3.13Å |
| 555 | E | 94.6 | Very high | 93.4 | Very high | 128 Ų | 128 | 94.8 Ų | 94.8 | 60% | 0.598 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 174.7 | -75.1 | 176.5 | 175.8 | 0 | 0 | 111.3 | A551 K557 L558 T559 | A551-E555 WeakPolarHBondContact O-CG 3.33Å; A551-E555 PolarHBondContact O-N 3.25Å; E555-K557 VanDerWaalsContact C-N 3.34Å; E555-K557 PolarHBondContact O-N 3.12Å; E555-L558 WeakPolarHBondContact O-CB 3.3Å; E555-L558 PolarHBondContact O-N 3.31Å; E555-T559 VanDerWaalsContact O-CG2 3.28Å; E555-T559 WeakPolarHBondContact O-CG2 3.34Å; E555-T559 PolarHBondContact O-N 2.77Å; E555-T559 PolarHBondContact O-OG1 2.84Å |
| 556 | T | 92.7 | Very high | 93.5 | Very high | 77 Ų | 77 | 95.7 Ų | 95.7 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 176.1 | 46.8 | 0 | 0 | 0 | 0 | 112.9 | A552 Q553 T559 N560 | A552-T556 WeakPolarHBondContact O-CG2 3.49Å; A552-T556 PolarHBondContact O-N 2.91Å; A552-T556 PolarHBondContact O-OG1 2.82Å; Q553-T556 WeakPolarHBondContact CA-OG1 3.45Å; Q553-T556 PolarHBondContact O-OG1 2.96Å; T556-T559 WeakPolarHBondContact CA-OG1 3.35Å; T556-T559 PolarHBondContact O-OG1 3.41Å; T556-N560 WeakPolarHBondContact O-CB 3.42Å; T556-N560 PolarHBondContact O-N 3.36Å; T556-N560 PolarHBondContact O-ND2 2.92Å; T556-N560 PolarHBondContact O-OD1 2.92Å |
| 557 | K | 95.1 | Very high | 93.6 | Very high | 132 Ų | 132 | 96.7 Ų | 96.7 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 172.9 | -75 | 175.4 | -177.7 | -178 | 0 | 111.9 | Q553 L554 E555 T559 N560 S561 | Q553-K557 WeakPolarHBondContact O-CB 3.48Å; Q553-K557 VanDerWaalsContact O-CG 3.26Å; Q553-K557 WeakPolarHBondContact O-CG 3.4Å; Q553-K557 PolarHBondContact O-N 2.54Å; Q553-K557 VanDerWaalsContact O-N 3.16Å; L554-K557 PolarHBondContact O-N 2.88Å; E555-K557 VanDerWaalsContact C-N 3.34Å; E555-K557 PolarHBondContact O-N 3.12Å; K557-T559 VanDerWaalsContact C-N 3.35Å; K557-N560 PolarHBondContact O-N 3.39Å; K557-S561 PolarHBondContact O-N 3.05Å; K557-S561 PolarHBondContact O-OG 3.3Å |
| 558 | L | 93.8 | Very high | 93.6 | Very high | 130 Ų | 130 | 96.1 Ų | 96.1 | 68% | 0.681 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 177.7 | -170.7 | 78.9 | 0 | 0 | 0 | 111.1 | L554 E555 S561 A562 | L554-L558 VanDerWaalsContact O-CB 3.3Å; L554-L558 WeakPolarHBondContact O-CB 3.48Å; L554-L558 PolarHBondContact O-N 3.13Å; E555-L558 WeakPolarHBondContact O-CB 3.3Å; E555-L558 PolarHBondContact O-N 3.31Å; L558-S561 PolarHBondContact O-N 3.11Å; L558-A562 VanDerWaalsContact O-CB 3.31Å; L558-A562 WeakPolarHBondContact O-CB 3.48Å; L558-A562 PolarHBondContact O-N 3.41Å |
| 559 | T | 94 | Very high | 93.7 | Very high | 79 Ų | 79 | 98.6 Ų | 98.6 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | E555 T556 K557 A562 T563 | E555-T559 VanDerWaalsContact O-CG2 3.28Å; E555-T559 WeakPolarHBondContact O-CG2 3.34Å; E555-T559 PolarHBondContact O-N 2.77Å; E555-T559 PolarHBondContact O-OG1 2.84Å; T556-T559 WeakPolarHBondContact CA-OG1 3.35Å; T556-T559 PolarHBondContact O-OG1 3.41Å; K557-T559 VanDerWaalsContact C-N 3.35Å; T559-A562 PolarHBondContact O-N 2.86Å; T559-T563 WeakPolarHBondContact O-CG2 3.47Å; T559-T563 PolarHBondContact O-N 2.75Å; T559-T563 PolarHBondContact O-OG1 3.07Å |
| 560 | N | 94.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 97 Ų | 97 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 177.7 | -67.9 | -8.6 | 0 | 0 | 0 | 111.6 | T556 K557 A562 T563 D564 | T556-N560 WeakPolarHBondContact O-CB 3.42Å; T556-N560 PolarHBondContact O-N 3.36Å; T556-N560 PolarHBondContact O-ND2 2.92Å; T556-N560 PolarHBondContact O-OD1 2.92Å; K557-N560 PolarHBondContact O-N 3.39Å; N560-A562 VanDerWaalsContact C-N 3.29Å; N560-A562 PolarHBondContact O-N 3.26Å; N560-T563 WeakPolarHBondContact CA-OG1 3.37Å; N560-T563 PolarHBondContact O-N 3.35Å; N560-T563 PolarHBondContact O-OG1 3.31Å; N560-D564 PolarHBondContact O-N 2.95Å |
| 561 | S | 92.7 | Very high | 93.7 | Very high | 67 Ų | 67 | 96.6 Ų | 96.6 | 47% | 0.469 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -34.6 | 175.8 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | K557 L558 D564 L565 | K557-S561 PolarHBondContact O-N 3.05Å; K557-S561 PolarHBondContact O-OG 3.3Å; L558-S561 PolarHBondContact O-N 3.11Å; S561-D564 PolarHBondContact O-N 3.22Å; S561-L565 WeakPolarHBondContact O-CB 3.49Å; S561-L565 VanDerWaalsContact O-CG 3.28Å; S561-L565 WeakPolarHBondContact O-CG 3.47Å; S561-L565 PolarHBondContact O-N 3.33Å |
| 562 | A | 95 | Very high | 93.7 | Very high | 59 Ų | 59 | 99 Ų | 99 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L558 T559 N560 S566 | L558-A562 VanDerWaalsContact O-CB 3.31Å; L558-A562 WeakPolarHBondContact O-CB 3.48Å; L558-A562 PolarHBondContact O-N 3.41Å; T559-A562 PolarHBondContact O-N 2.86Å; N560-A562 VanDerWaalsContact C-N 3.29Å; N560-A562 PolarHBondContact O-N 3.26Å; A562-S566 PolarHBondContact O-N 2.91Å |
| 563 | T | 92.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 100.1 Ų | 100.1 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 174.7 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | T559 N560 S566 Q567 | T559-T563 WeakPolarHBondContact O-CG2 3.47Å; T559-T563 PolarHBondContact O-N 2.75Å; T559-T563 PolarHBondContact O-OG1 3.07Å; N560-T563 WeakPolarHBondContact CA-OG1 3.37Å; N560-T563 PolarHBondContact O-N 3.35Å; N560-T563 PolarHBondContact O-OG1 3.31Å; T563-S566 WeakPolarHBondContact O-CB 3.16Å; T563-S566 PolarHBondContact O-N 3.37Å; T563-Q567 WeakPolarHBondContact O-CG 3.48Å; T563-Q567 PolarHBondContact O-N 3.08Å |
| 564 | D | 94.4 | Very high | 93.8 | Very high | 86 Ų | 86 | 101.2 Ų | 101.2 | 46% | 0.46 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 178.2 | -65.4 | -17.2 | 0 | 0 | 0 | 111.2 | N560 S561 S566 Q567 L568 | N560-D564 PolarHBondContact O-N 2.95Å; S561-D564 PolarHBondContact O-N 3.22Å; D564-S566 VanDerWaalsContact C-N 3.34Å; D564-S566 PolarHBondContact O-N 3.48Å; D564-Q567 PolarHBondContact O-N 2.92Å; D564-L568 WeakPolarHBondContact O-CB 3.48Å; D564-L568 WeakPolarHBondContact O-CG 3.45Å; D564-L568 PolarHBondContact O-N 3.43Å |
| 565 | L | 93.3 | Very high | 93.8 | Very high | 121 Ų | 121 | 101.4 Ų | 101.4 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 174.2 | -75.6 | 173.6 | 0 | 0 | 0 | 112.2 | S561 R569 | S561-L565 WeakPolarHBondContact O-CB 3.49Å; S561-L565 VanDerWaalsContact O-CG 3.28Å; S561-L565 WeakPolarHBondContact O-CG 3.47Å; S561-L565 PolarHBondContact O-N 3.33Å; L565-R569 WeakPolarHBondContact O-CB 3.15Å; L565-R569 PolarHBondContact O-N 3.49Å |
| 566 | S | 94.2 | Very high | 93.8 | Very high | 65 Ų | 65 | 100 Ų | 100 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | 174.2 | -167.2 | 0 | 0 | 0 | 0 | 111.1 | A562 T563 D564 L568 R569 D570 | A562-S566 PolarHBondContact O-N 2.91Å; T563-S566 WeakPolarHBondContact O-CB 3.16Å; T563-S566 PolarHBondContact O-N 3.37Å; D564-S566 VanDerWaalsContact C-N 3.34Å; D564-S566 PolarHBondContact O-N 3.48Å; S566-L568 PolarHBondContact O-N 2.92Å; S566-R569 PolarHBondContact O-N 2.96Å; S566-R569 VanDerWaalsContact O-N 3.15Å; S566-D570 VanDerWaalsContact O-CG 3.24Å; S566-D570 PolarHBondContact O-N 3.42Å |
| 567 | Q | 94.5 | Very high | 93.8 | Very high | 101 Ų | 101 | 100.8 Ų | 100.8 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 179.6 | -70.6 | 174 | 22.4 | 0 | 0 | 112.8 | T563 D564 R569 K571 | T563-Q567 WeakPolarHBondContact O-CG 3.48Å; T563-Q567 PolarHBondContact O-N 3.08Å; D564-Q567 PolarHBondContact O-N 2.92Å; Q567-R569 VanDerWaalsContact C-N 3.32Å; Q567-K571 WeakPolarHBondContact O-CB 3.4Å; Q567-K571 VanDerWaalsContact O-CG 3.28Å; Q567-K571 WeakPolarHBondContact O-CG 3.3Å; Q567-K571 PolarHBondContact O-N 3.27Å |
| 568 | L | 92.2 | Very high | 93.8 | Very high | 108 Ų | 108 | 97.3 Ų | 97.3 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -35.9 | 175.1 | -74.8 | 173.1 | 0 | 0 | 0 | 111.6 | D564 S566 L572 | D564-L568 WeakPolarHBondContact O-CB 3.48Å; D564-L568 WeakPolarHBondContact O-CG 3.45Å; D564-L568 PolarHBondContact O-N 3.43Å; S566-L568 PolarHBondContact O-N 2.92Å; L568-L572 WeakPolarHBondContact O-CB 3.18Å; L568-L572 PolarHBondContact O-N 2.89Å |
| 569 | R | 95 | Very high | 93.7 | Very high | 175 Ų | 175 | 96 Ų | 96 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.3 | -43.8 | 175.9 | -168.3 | 158.2 | -171 | 164.7 | 2 | 112 | L565 S566 Q567 K571 L572 D573 | L565-R569 WeakPolarHBondContact O-CB 3.15Å; L565-R569 PolarHBondContact O-N 3.49Å; S566-R569 PolarHBondContact O-N 2.96Å; S566-R569 VanDerWaalsContact O-N 3.15Å; Q567-R569 VanDerWaalsContact C-N 3.32Å; R569-K571 VanDerWaalsContact C-N 3.31Å; R569-K571 PolarHBondContact O-N 2.58Å; R569-L572 WeakPolarHBondContact O-CB 3.39Å; R569-L572 PolarHBondContact O-N 3.41Å; R569-L572 VanDerWaalsContact O-N 3.13Å; R569-D573 PolarHBondContact O-N 3.24Å |
| 570 | D | 93.4 | Very high | 93.7 | Very high | 94 Ų | 94 | 98.2 Ų | 98.2 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 175.4 | -63.8 | -25.7 | 0 | 0 | 0 | 111.3 | S566 D573 E574 | S566-D570 VanDerWaalsContact O-CG 3.24Å; S566-D570 PolarHBondContact O-N 3.42Å; D570-D573 PolarHBondContact O-N 2.89Å; D570-E574 WeakPolarHBondContact O-CB 3.15Å; D570-E574 PolarHBondContact O-N 3.28Å |
| 571 | K | 94.5 | Very high | 93.6 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 174.1 | -73.7 | 173 | -175.3 | 175.8 | 0 | 112.9 | Q567 R569 E574 L575 | Q567-K571 WeakPolarHBondContact O-CB 3.4Å; Q567-K571 VanDerWaalsContact O-CG 3.28Å; Q567-K571 WeakPolarHBondContact O-CG 3.3Å; Q567-K571 PolarHBondContact O-N 3.27Å; R569-K571 VanDerWaalsContact C-N 3.31Å; R569-K571 PolarHBondContact O-N 2.58Å; K571-E574 PolarHBondContact O-N 3.18Å; K571-L575 WeakPolarHBondContact O-CB 3.16Å; K571-L575 VanDerWaalsContact O-CG 3.31Å; K571-L575 WeakPolarHBondContact O-CG 3.36Å; K571-L575 PolarHBondContact O-N 3.05Å |
| 572 | L | 92.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 102.6 Ų | 102.6 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.4 | -178 | 66.5 | 0 | 0 | 0 | 110.6 | L568 R569 L575 Q576 | L568-L572 WeakPolarHBondContact O-CB 3.18Å; L568-L572 PolarHBondContact O-N 2.89Å; R569-L572 WeakPolarHBondContact O-CB 3.39Å; R569-L572 PolarHBondContact O-N 3.41Å; R569-L572 VanDerWaalsContact O-N 3.13Å; L572-L575 PolarHBondContact O-N 3.22Å; L572-Q576 WeakPolarHBondContact O-CB 3.14Å; L572-Q576 WeakPolarHBondContact O-CG 3.47Å; L572-Q576 PolarHBondContact O-N 3.02Å |
| 573 | D | 93.6 | Very high | 93.5 | Very high | 72 Ų | 72 | 105 Ų | 105 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.2 | -67.4 | -14 | 0 | 0 | 0 | 110.8 | R569 D570 Q576 V577 | R569-D573 PolarHBondContact O-N 3.24Å; D570-D573 PolarHBondContact O-N 2.89Å; D573-Q576 PolarHBondContact O-N 3.29Å; D573-V577 WeakPolarHBondContact O-CG2 3.49Å; D573-V577 PolarHBondContact O-N 2.81Å |
| 574 | E | 94.6 | Very high | 93.5 | Very high | 138 Ų | 138 | 106.8 Ų | 106.8 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.5 | -46.6 | 173.5 | -175.8 | 179.1 | -172.7 | 0 | 0 | 112.2 | D570 K571 Q576 V577 E578 | D570-E574 WeakPolarHBondContact O-CB 3.15Å; D570-E574 PolarHBondContact O-N 3.28Å; K571-E574 PolarHBondContact O-N 3.18Å; E574-Q576 VanDerWaalsContact C-N 3.34Å; E574-Q576 PolarHBondContact O-N 3.3Å; E574-V577 PolarHBondContact O-N 3.38Å; E574-E578 WeakPolarHBondContact O-CB 2.92Å; E574-E578 PolarHBondContact O-N 2.83Å |
| 575 | L | 92.2 | Very high | 93.4 | Very high | 119 Ų | 119 | 105.3 Ų | 105.3 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -35.5 | 177.4 | -73.8 | 173.9 | 0 | 0 | 0 | 112.4 | K571 L572 E578 L579 | K571-L575 WeakPolarHBondContact O-CB 3.16Å; K571-L575 VanDerWaalsContact O-CG 3.31Å; K571-L575 WeakPolarHBondContact O-CG 3.36Å; K571-L575 PolarHBondContact O-N 3.05Å; L572-L575 PolarHBondContact O-N 3.22Å; L575-E578 PolarHBondContact O-N 3.4Å; L575-L579 WeakPolarHBondContact O-CB 3.07Å; L575-L579 PolarHBondContact O-N 3.43Å |
| 576 | Q | 94.6 | Very high | 93.3 | Very high | 99 Ų | 99 | 105.4 Ų | 105.4 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 174.1 | -78.2 | 177.6 | -1.1 | 0 | 0 | 111.5 | L572 D573 E574 E578 L579 E580 | L572-Q576 WeakPolarHBondContact O-CB 3.14Å; L572-Q576 WeakPolarHBondContact O-CG 3.47Å; L572-Q576 PolarHBondContact O-N 3.02Å; D573-Q576 PolarHBondContact O-N 3.29Å; E574-Q576 VanDerWaalsContact C-N 3.34Å; E574-Q576 PolarHBondContact O-N 3.3Å; Q576-E578 VanDerWaalsContact C-N 3.33Å; Q576-E578 PolarHBondContact O-N 2.86Å; Q576-L579 WeakPolarHBondContact O-CB 3.47Å; Q576-L579 PolarHBondContact O-N 3.16Å; Q576-E580 WeakPolarHBondContact O-CG 2.82Å; Q576-E580 PolarHBondContact O-N 3.34Å |
| 577 | V | 93.7 | Very high | 93.3 | Very high | 94 Ų | 94 | 108.6 Ų | 108.6 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | D573 E574 E580 R581 | D573-V577 WeakPolarHBondContact O-CG2 3.49Å; D573-V577 PolarHBondContact O-N 2.81Å; E574-V577 PolarHBondContact O-N 3.38Å; V577-E580 PolarHBondContact O-N 2.95Å; V577-R581 WeakPolarHBondContact O-CB 3.35Å; V577-R581 PolarHBondContact O-N 3.2Å |
| 578 | E | 93.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 110.3 Ų | 110.3 | 28% | 0.276 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 177.3 | 179 | 58.1 | -162.7 | 0 | 0 | 112.2 | E574 L575 Q576 R581 R582 | E574-E578 WeakPolarHBondContact O-CB 2.92Å; E574-E578 PolarHBondContact O-N 2.83Å; L575-E578 PolarHBondContact O-N 3.4Å; Q576-E578 VanDerWaalsContact C-N 3.33Å; Q576-E578 PolarHBondContact O-N 2.86Å; E578-R581 PolarHBondContact O-N 2.83Å; E578-R581 IonicContact OE1-CZ 2.74Å; E578-R581 IonicContact OE1-NE 3.58Å; E578-R581 IonicContact OE1-NH2 3.58Å; E578-R581 PolarHBondContact OE1-NH2 2.91Å; E578-R581 IonicContact OE2-CZ 3.33Å; E578-R581 IonicContact OE2-NE 3.45Å; E578-R581 PolarHBondContact OE2-NE 3.28Å; E578-R581 IonicContact OE2-NH2 2.84Å; E578-R581 PolarHBondContact OE2-NH2 3.47Å; E578-R582 WeakPolarHBondContact O-CB 3.08Å; E578-R582 VanDerWaalsContact O-CG 3.31Å; E578-R582 WeakPolarHBondContact O-CG 3.46Å; E578-R582 PolarHBondContact O-N 3.32Å; E578-R582 IonicContact OE1-CZ 2.98Å; E578-R582 IonicContact OE1-NE 3.25Å; E578-R582 PolarHBondContact OE1-NE 2.86Å; E578-R582 IonicContact OE1-NH2 3.49Å; E578-R582 PolarHBondContact OE1-NH2 3.37Å |
| 579 | L | 92.1 | Very high | 93.1 | Very high | 102 Ų | 102 | 110.1 Ų | 110.1 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 173.2 | -173.4 | 84.1 | 0 | 0 | 0 | 111.1 | L575 Q576 R581 R582 Q583 | L575-L579 WeakPolarHBondContact O-CB 3.07Å; L575-L579 PolarHBondContact O-N 3.43Å; Q576-L579 WeakPolarHBondContact O-CB 3.47Å; Q576-L579 PolarHBondContact O-N 3.16Å; L579-R581 VanDerWaalsContact C-N 3.34Å; L579-R581 PolarHBondContact O-N 3.24Å; L579-R582 PolarHBondContact O-N 2.95Å; L579-Q583 WeakPolarHBondContact O-CG 3.46Å; L579-Q583 PolarHBondContact O-N 2.66Å |
| 580 | E | 93.9 | Very high | 92.9 | Very high | 125 Ų | 125 | 106.7 Ų | 106.7 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 177.8 | -72.4 | -179.1 | 175.4 | 0 | 0 | 111.6 | Q576 V577 R582 Q583 Q584 | Q576-E580 WeakPolarHBondContact O-CG 2.82Å; Q576-E580 PolarHBondContact O-N 3.34Å; V577-E580 PolarHBondContact O-N 2.95Å; E580-R582 PolarHBondContact O-N 3.39Å; E580-Q583 PolarHBondContact O-N 3.39Å; E580-Q584 WeakPolarHBondContact O-CB 3.41Å; E580-Q584 PolarHBondContact O-N 2.85Å |
| 581 | R | 93.5 | Very high | 92.9 | Very high | 122 Ų | 122 | 107 Ų | 107 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.6 | -169 | -166 | 68.9 | 73.8 | -1.8 | 111.5 | V577 E578 L579 Q584 C585 | V577-R581 WeakPolarHBondContact O-CB 3.35Å; V577-R581 PolarHBondContact O-N 3.2Å; E578-R581 PolarHBondContact O-N 2.83Å; E578-R581 IonicContact OE1-CZ 2.74Å; E578-R581 IonicContact OE1-NE 3.58Å; E578-R581 IonicContact OE1-NH2 3.58Å; E578-R581 PolarHBondContact OE1-NH2 2.91Å; E578-R581 IonicContact OE2-CZ 3.33Å; E578-R581 IonicContact OE2-NE 3.45Å; E578-R581 PolarHBondContact OE2-NE 3.28Å; E578-R581 IonicContact OE2-NH2 2.84Å; E578-R581 PolarHBondContact OE2-NH2 3.47Å; L579-R581 VanDerWaalsContact C-N 3.34Å; L579-R581 PolarHBondContact O-N 3.24Å; R581-Q584 PolarHBondContact O-N 2.96Å; R581-C585 PolarHBondContact O-N 3.34Å |
| 582 | R | 92.3 | Very high | 92.8 | Very high | 132 Ų | 132 | 107.2 Ų | 107.2 | 50% | 0.498 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 177.4 | -76 | -178.3 | -175.9 | -151.9 | 3.7 | 112.1 | E578 L579 E580 Q584 C585 E586 | E578-R582 WeakPolarHBondContact O-CB 3.08Å; E578-R582 VanDerWaalsContact O-CG 3.31Å; E578-R582 WeakPolarHBondContact O-CG 3.46Å; E578-R582 PolarHBondContact O-N 3.32Å; E578-R582 IonicContact OE1-CZ 2.98Å; E578-R582 IonicContact OE1-NE 3.25Å; E578-R582 PolarHBondContact OE1-NE 2.86Å; E578-R582 IonicContact OE1-NH2 3.49Å; E578-R582 PolarHBondContact OE1-NH2 3.37Å; L579-R582 PolarHBondContact O-N 2.95Å; E580-R582 PolarHBondContact O-N 3.39Å; R582-Q584 VanDerWaalsContact C-N 3.26Å; R582-Q584 PolarHBondContact O-N 2.9Å; R582-C585 WeakPolarHBondContact O-CB 3.49Å; R582-C585 PolarHBondContact O-N 2.66Å; R582-E586 WeakPolarHBondContact O-CB 3.25Å; R582-E586 PolarHBondContact O-N 2.73Å |
| 583 | Q | 93.4 | Very high | 92.6 | Very high | 109 Ų | 109 | 108.3 Ų | 108.3 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 175 | -72.4 | 175.5 | -8.3 | 0 | 0 | 111.6 | L579 E580 E586 K587 | L579-Q583 WeakPolarHBondContact O-CG 3.46Å; L579-Q583 PolarHBondContact O-N 2.66Å; E580-Q583 PolarHBondContact O-N 3.39Å; Q583-E586 PolarHBondContact O-N 3.4Å; Q583-K587 WeakPolarHBondContact O-CB 3.28Å; Q583-K587 PolarHBondContact O-N 3.26Å |
| 584 | Q | 92.2 | Very high | 92.4 | Very high | 112 Ų | 112 | 110.9 Ų | 110.9 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.8 | -37.5 | 177.1 | -156.9 | 176.6 | 42.1 | 0 | 0 | 112.5 | E580 R581 R582 R588 | E580-Q584 WeakPolarHBondContact O-CB 3.41Å; E580-Q584 PolarHBondContact O-N 2.85Å; R581-Q584 PolarHBondContact O-N 2.96Å; R582-Q584 VanDerWaalsContact C-N 3.26Å; R582-Q584 PolarHBondContact O-N 2.9Å; Q584-R588 WeakPolarHBondContact O-CG 3.41Å; Q584-R588 PolarHBondContact O-N 2.99Å; Q584-R588 VanDerWaalsContact O-N 3.12Å |
| 585 | C | 92.3 | Very high | 92.3 | Very high | 55 Ų | 55 | 107.9 Ų | 107.9 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 171.9 | -81.8 | 0 | 0 | 0 | 0 | 112.1 | R581 R582 K587 R588 L589 | R581-C585 PolarHBondContact O-N 3.34Å; R582-C585 WeakPolarHBondContact O-CB 3.49Å; R582-C585 PolarHBondContact O-N 2.66Å; C585-K587 VanDerWaalsContact C-N 3.35Å; C585-K587 PolarHBondContact O-N 2.74Å; C585-R588 PolarHBondContact O-N 2.64Å; C585-L589 PolarHBondContact O-N 3.01Å |
| 586 | E | 91.9 | Very high | 92.1 | Very high | 123 Ų | 123 | 106.1 Ų | 106.1 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 177.1 | -174.1 | -177.9 | 172.9 | 0 | 0 | 111.2 | R582 Q583 R588 L589 M590 | R582-E586 WeakPolarHBondContact O-CB 3.25Å; R582-E586 PolarHBondContact O-N 2.73Å; Q583-E586 PolarHBondContact O-N 3.4Å; E586-R588 PolarHBondContact O-N 2.74Å; E586-L589 PolarHBondContact O-N 2.94Å; E586-M590 WeakPolarHBondContact O-CB 3.31Å; E586-M590 PolarHBondContact O-N 3.25Å |
| 587 | K | 92.9 | Very high | 92 | Very high | 131 Ų | 131 | 104.3 Ų | 104.3 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.8 | -46.6 | 175 | -173.9 | 178.8 | 177.4 | -176.7 | 0 | 112.2 | Q583 C585 L589 M590 E591 | Q583-K587 WeakPolarHBondContact O-CB 3.28Å; Q583-K587 PolarHBondContact O-N 3.26Å; C585-K587 VanDerWaalsContact C-N 3.35Å; C585-K587 PolarHBondContact O-N 2.74Å; K587-L589 VanDerWaalsContact C-N 3.33Å; K587-L589 PolarHBondContact O-N 2.83Å; K587-M590 PolarHBondContact O-N 3.28Å; K587-E591 WeakPolarHBondContact CE-OE1 3.42Å; K587-E591 WeakPolarHBondContact O-CG 3.43Å; K587-E591 PolarHBondContact O-N 3.11Å |
| 588 | R | 92.3 | Very high | 91.9 | Very high | 137 Ų | 137 | 106.5 Ų | 106.5 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 177 | -74 | 179.9 | -168.6 | 152.4 | 8 | 112.1 | Q584 C585 E586 M590 E591 Q592 | Q584-R588 WeakPolarHBondContact O-CG 3.41Å; Q584-R588 PolarHBondContact O-N 2.99Å; Q584-R588 VanDerWaalsContact O-N 3.12Å; C585-R588 PolarHBondContact O-N 2.64Å; E586-R588 PolarHBondContact O-N 2.74Å; R588-M590 VanDerWaalsContact C-N 3.34Å; R588-E591 PolarHBondContact O-N 3.27Å; R588-Q592 WeakPolarHBondContact O-CG 2.73Å; R588-Q592 PolarHBondContact O-N 3.47Å |
| 589 | L | 91.1 | Very high | 91.9 | Very high | 105 Ų | 105 | 107 Ų | 107 | 55% | 0.55 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 177.5 | -174.5 | 64.6 | 0 | 0 | 0 | 111 | C585 E586 K587 Q592 M593 | C585-L589 PolarHBondContact O-N 3.01Å; E586-L589 PolarHBondContact O-N 2.94Å; K587-L589 VanDerWaalsContact C-N 3.33Å; K587-L589 PolarHBondContact O-N 2.83Å; L589-Q592 PolarHBondContact O-N 3.33Å; L589-M593 WeakPolarHBondContact O-CB 3.33Å; L589-M593 VanDerWaalsContact O-CG 3.31Å; L589-M593 WeakPolarHBondContact O-CG 2.83Å; L589-M593 PolarHBondContact O-N 2.86Å |
| 590 | M | 90.7 | Very high | 91.7 | Very high | 103 Ų | 103 | 107.4 Ų | 107.4 | 51% | 0.507 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 176.2 | -162.9 | -171.7 | -62.5 | 0 | 0 | 111.7 | E586 K587 R588 M593 Q594 | E586-M590 WeakPolarHBondContact O-CB 3.31Å; E586-M590 PolarHBondContact O-N 3.25Å; K587-M590 PolarHBondContact O-N 3.28Å; R588-M590 VanDerWaalsContact C-N 3.34Å; M590-M593 PolarHBondContact O-N 2.99Å; M590-Q594 WeakPolarHBondContact O-CG 3.27Å; M590-Q594 PolarHBondContact O-N 2.93Å |
| 591 | E | 92.5 | Very high | 91.5 | Very high | 99 Ų | 99 | 107 Ų | 107 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.9 | -73.5 | 169 | -179.2 | 0 | 0 | 111.6 | K587 R588 Q594 E595 | K587-E591 WeakPolarHBondContact CE-OE1 3.42Å; K587-E591 WeakPolarHBondContact O-CG 3.43Å; K587-E591 PolarHBondContact O-N 3.11Å; R588-E591 PolarHBondContact O-N 3.27Å; E591-Q594 PolarHBondContact O-N 2.82Å; E591-E595 WeakPolarHBondContact O-CB 2.99Å; E591-E595 PolarHBondContact O-N 3.07Å |
| 592 | Q | 92.9 | Very high | 91.4 | Very high | 121 Ų | 121 | 105.7 Ų | 105.7 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 174.7 | -76.2 | 179.9 | -18.3 | 0 | 0 | 112.6 | R588 L589 E595 N596 | R588-Q592 WeakPolarHBondContact O-CG 2.73Å; R588-Q592 PolarHBondContact O-N 3.47Å; L589-Q592 PolarHBondContact O-N 3.33Å; Q592-E595 PolarHBondContact O-N 2.98Å; Q592-N596 WeakPolarHBondContact O-CB 3.04Å; Q592-N596 PolarHBondContact O-N 3.38Å |
| 593 | M | 88.4 | Confident | 91.4 | Very high | 118 Ų | 118 | 104.6 Ų | 104.6 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 176.4 | -76.8 | -61.6 | -56.4 | 0 | 0 | 112 | L589 M590 A597 | L589-M593 WeakPolarHBondContact O-CB 3.33Å; L589-M593 VanDerWaalsContact O-CG 3.31Å; L589-M593 WeakPolarHBondContact O-CG 2.83Å; L589-M593 PolarHBondContact O-N 2.86Å; M590-M593 PolarHBondContact O-N 2.99Å; M593-A597 VanDerWaalsContact O-CB 3.32Å; M593-A597 WeakPolarHBondContact O-CB 2.78Å; M593-A597 PolarHBondContact O-N 3.42Å |
| 594 | Q | 90.9 | Very high | 90.9 | Very high | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 174.3 | -73.7 | 177.3 | 2 | 0 | 0 | 111.6 | M590 E591 A597 R598 | M590-Q594 WeakPolarHBondContact O-CG 3.27Å; M590-Q594 PolarHBondContact O-N 2.93Å; E591-Q594 PolarHBondContact O-N 2.82Å; Q594-A597 PolarHBondContact O-N 2.95Å; Q594-R598 WeakPolarHBondContact O-CB 3.06Å; Q594-R598 PolarHBondContact O-N 2.77Å |
| 595 | E | 92.1 | Very high | 90.7 | Very high | 76 Ų | 76 | 101.5 Ų | 101.5 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 176.9 | -176.2 | 60.6 | -172.1 | 0 | 0 | 112 | E591 Q592 A597 R598 L599 | E591-E595 WeakPolarHBondContact O-CB 2.99Å; E591-E595 PolarHBondContact O-N 3.07Å; Q592-E595 PolarHBondContact O-N 2.98Å; E595-A597 VanDerWaalsContact C-N 3.33Å; E595-A597 PolarHBondContact O-N 3.13Å; E595-R598 WeakPolarHBondContact O-CB 3.23Å; E595-R598 PolarHBondContact O-N 2.89Å; E595-R598 VanDerWaalsContact O-N 3.14Å; E595-R598 IonicContact OE1-CZ 3.65Å; E595-R598 IonicContact OE1-NE 3.57Å; E595-R598 IonicContact OE1-NH2 2.95Å; E595-R598 PolarHBondContact OE1-NH2 2.9Å; E595-R598 IonicContact OE2-CZ 3.92Å; E595-R598 IonicContact OE2-NE 3.45Å; E595-R598 PolarHBondContact OE2-NE 3.42Å; E595-R598 IonicContact OE2-NH2 3.78Å; E595-R598 PolarHBondContact OE2-NH2 3.35Å; E595-L599 HydrophobicContact CG-CD1 4.39Å; E595-L599 WeakPolarHBondContact O-CG 3.09Å; E595-L599 PolarHBondContact O-N 2.99Å |
| 596 | N | 88.1 | Confident | 90.6 | Very high | 82 Ų | 82 | 103.7 Ų | 103.7 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.3 | -77.2 | -24.3 | 0 | 0 | 0 | 111.9 | Q592 R598 L599 H600 | Q592-N596 WeakPolarHBondContact O-CB 3.04Å; Q592-N596 PolarHBondContact O-N 3.38Å; N596-R598 VanDerWaalsContact C-N 3.31Å; N596-R598 PolarHBondContact O-N 2.99Å; N596-L599 PolarHBondContact O-N 3.06Å; N596-H600 WeakPolarHBondContact O-CB 2.68Å; N596-H600 PolarHBondContact O-CD2 3.13Å; N596-H600 VanDerWaalsContact O-CD2 3.26Å; N596-H600 PolarHBondContact O-N 2.82Å |
| 597 | A | 91.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 102.3 Ų | 102.3 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M593 Q594 E595 Q601 | M593-A597 VanDerWaalsContact O-CB 3.32Å; M593-A597 WeakPolarHBondContact O-CB 2.78Å; M593-A597 PolarHBondContact O-N 3.42Å; Q594-A597 PolarHBondContact O-N 2.95Å; E595-A597 VanDerWaalsContact C-N 3.33Å; E595-A597 PolarHBondContact O-N 3.13Å; A597-Q601 VanDerWaalsContact O-CB 3.25Å; A597-Q601 WeakPolarHBondContact O-CB 3.42Å; A597-Q601 PolarHBondContact O-N 3.25Å |
| 598 | R | 92.5 | Very high | 90.1 | Very high | 141 Ų | 141 | 103.2 Ų | 103.2 | 53% | 0.532 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | 174.8 | -170.7 | 179.9 | 76.9 | 109.9 | 6.8 | 111.4 | Q594 E595 N596 Q601 E602 | Q594-R598 WeakPolarHBondContact O-CB 3.06Å; Q594-R598 PolarHBondContact O-N 2.77Å; E595-R598 WeakPolarHBondContact O-CB 3.23Å; E595-R598 PolarHBondContact O-N 2.89Å; E595-R598 VanDerWaalsContact O-N 3.14Å; E595-R598 IonicContact OE1-CZ 3.65Å; E595-R598 IonicContact OE1-NE 3.57Å; E595-R598 IonicContact OE1-NH2 2.95Å; E595-R598 PolarHBondContact OE1-NH2 2.9Å; E595-R598 IonicContact OE2-CZ 3.92Å; E595-R598 IonicContact OE2-NE 3.45Å; E595-R598 PolarHBondContact OE2-NE 3.42Å; E595-R598 IonicContact OE2-NH2 3.78Å; E595-R598 PolarHBondContact OE2-NH2 3.35Å; N596-R598 VanDerWaalsContact C-N 3.31Å; N596-R598 PolarHBondContact O-N 2.99Å; R598-Q601 PolarHBondContact O-N 3.24Å; R598-E602 WeakPolarHBondContact O-CB 2.8Å; R598-E602 PolarHBondContact O-N 3.45Å |
| 599 | L | 92.5 | Very high | 89.9 | Confident | 69 Ų | 69 | 98.9 Ų | 98.9 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 177.3 | -71.7 | 174.3 | 0 | 0 | 0 | 111.3 | E595 N596 Q601 E602 E603 | E595-L599 HydrophobicContact CG-CD1 4.39Å; E595-L599 WeakPolarHBondContact O-CG 3.09Å; E595-L599 PolarHBondContact O-N 2.99Å; N596-L599 PolarHBondContact O-N 3.06Å; L599-Q601 VanDerWaalsContact C-N 3.32Å; L599-Q601 PolarHBondContact O-N 3.19Å; L599-E602 WeakPolarHBondContact O-CB 3.27Å; L599-E602 PolarHBondContact O-N 3.37Å; L599-E602 VanDerWaalsContact O-N 3.15Å; L599-E603 WeakPolarHBondContact O-CG 3.39Å; L599-E603 PolarHBondContact O-N 3.47Å |
| 600 | H | 88.2 | Confident | 89.9 | Confident | 111 Ų | 111 | 98.5 Ų | 98.5 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 175.8 | -71.7 | -38.1 | 0 | 0 | 0 | 112.7 | N596 E602 E603 M604 | N596-H600 WeakPolarHBondContact O-CB 2.68Å; N596-H600 PolarHBondContact O-CD2 3.13Å; N596-H600 VanDerWaalsContact O-CD2 3.26Å; N596-H600 PolarHBondContact O-N 2.82Å; H600-E602 VanDerWaalsContact C-N 3.32Å; H600-E603 IonicContact CE1-OE2 3.94Å; H600-E603 IonicContact ND1-OE2 2.64Å; H600-E603 PolarHBondContact ND1-OE2 3.09Å; H600-M604 VanDerWaalsContact O-CB 3.27Å; H600-M604 WeakPolarHBondContact O-CB 2.8Å; H600-M604 WeakPolarHBondContact O-CG 3.25Å; H600-M604 PolarHBondContact O-N 3.2Å |
| 601 | Q | 90.4 | Very high | 89.6 | Confident | 116 Ų | 116 | 96.4 Ų | 96.4 | 54% | 0.542 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 174.8 | -176.7 | 62.9 | 31.3 | 0 | 0 | 111.7 | A597 R598 L599 S605 | A597-Q601 VanDerWaalsContact O-CB 3.25Å; A597-Q601 WeakPolarHBondContact O-CB 3.42Å; A597-Q601 PolarHBondContact O-N 3.25Å; R598-Q601 PolarHBondContact O-N 3.24Å; L599-Q601 VanDerWaalsContact C-N 3.32Å; L599-Q601 PolarHBondContact O-N 3.19Å; Q601-S605 WeakPolarHBondContact O-CB 3.31Å; Q601-S605 PolarHBondContact O-N 3.41Å |
| 602 | E | 90.8 | Very high | 89.4 | Confident | 94 Ų | 94 | 94.1 Ų | 94.1 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.4 | -49.5 | 175.3 | -169 | 163.4 | -159.8 | 0 | 0 | 110.9 | R598 L599 H600 M604 S605 E606 | R598-E602 WeakPolarHBondContact O-CB 2.8Å; R598-E602 PolarHBondContact O-N 3.45Å; L599-E602 WeakPolarHBondContact O-CB 3.27Å; L599-E602 PolarHBondContact O-N 3.37Å; L599-E602 VanDerWaalsContact O-N 3.15Å; H600-E602 VanDerWaalsContact C-N 3.32Å; E602-M604 VanDerWaalsContact C-N 3.33Å; E602-M604 PolarHBondContact O-N 3.22Å; E602-S605 CarbonylContact O-C 3.59Å; E602-S605 WeakPolarHBondContact O-CA 3.2Å; E602-S605 WeakPolarHBondContact O-CB 3.07Å; E602-S605 PolarHBondContact O-N 3.41Å; E602-S605 PolarHBondContact O-OG 2.8Å; E602-E606 PolarHBondContact O-N 2.88Å |
| 603 | E | 91.7 | Very high | 89.2 | Confident | 110 Ų | 110 | 95 Ų | 95 | 51% | 0.514 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.5 | -45.6 | 173.6 | -72.1 | 174.1 | 159 | 0 | 0 | 111.8 | L599 H600 S605 E606 E607 | L599-E603 WeakPolarHBondContact O-CG 3.39Å; L599-E603 PolarHBondContact O-N 3.47Å; H600-E603 IonicContact CE1-OE2 3.94Å; H600-E603 IonicContact ND1-OE2 2.64Å; H600-E603 PolarHBondContact ND1-OE2 3.09Å; E603-S605 VanDerWaalsContact C-N 3.28Å; E603-S605 PolarHBondContact O-N 2.69Å; E603-E606 PolarHBondContact O-N 3.33Å; E603-E607 WeakPolarHBondContact O-CB 3.21Å; E603-E607 PolarHBondContact O-N 3.09Å |
| 604 | M | 83.2 | Confident | 88.9 | Confident | 97 Ų | 97 | 94.5 Ų | 94.5 | 48% | 0.478 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -32.4 | 176.4 | -73.1 | -60.1 | -61.6 | 0 | 0 | 112.3 | H600 E602 R608 | H600-M604 VanDerWaalsContact O-CB 3.27Å; H600-M604 WeakPolarHBondContact O-CB 2.8Å; H600-M604 WeakPolarHBondContact O-CG 3.25Å; H600-M604 PolarHBondContact O-N 3.2Å; E602-M604 VanDerWaalsContact C-N 3.33Å; E602-M604 PolarHBondContact O-N 3.22Å; M604-R608 VanDerWaalsContact O-CB 3.29Å; M604-R608 WeakPolarHBondContact O-CB 3.46Å; M604-R608 WeakPolarHBondContact O-CD 3.15Å; M604-R608 WeakPolarHBondContact O-CG 3.25Å; M604-R608 PolarHBondContact O-N 2.97Å |
| 605 | S | 88.2 | Confident | 88.6 | Confident | 58 Ų | 58 | 95 Ų | 95 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.3 | -39.1 | 175.5 | 80.9 | 0 | 0 | 0 | 0 | 112 | Q601 E602 E603 R608 A609 | Q601-S605 WeakPolarHBondContact O-CB 3.31Å; Q601-S605 PolarHBondContact O-N 3.41Å; E602-S605 CarbonylContact O-C 3.59Å; E602-S605 WeakPolarHBondContact O-CA 3.2Å; E602-S605 WeakPolarHBondContact O-CB 3.07Å; E602-S605 PolarHBondContact O-N 3.41Å; E602-S605 PolarHBondContact O-OG 2.8Å; E603-S605 VanDerWaalsContact C-N 3.28Å; E603-S605 PolarHBondContact O-N 2.69Å; S605-R608 PolarHBondContact O-N 3.44Å; S605-A609 WeakPolarHBondContact O-CB 3.3Å; S605-A609 PolarHBondContact O-N 2.77Å |
| 606 | E | 90.2 | Very high | 88.4 | Confident | 102 Ų | 102 | 97.1 Ų | 97.1 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 174.7 | -73.3 | -168.7 | 171.3 | 0 | 0 | 110.9 | E602 E603 A609 K610 | E602-E606 PolarHBondContact O-N 2.88Å; E603-E606 PolarHBondContact O-N 3.33Å; E606-A609 CarbonylContact O-C 3.57Å; E606-A609 WeakPolarHBondContact O-CB 3.28Å; E606-A609 PolarHBondContact O-N 3.26Å; E606-A609 VanDerWaalsContact O-N 3.13Å; E606-K610 WeakPolarHBondContact O-CG 3.37Å; E606-K610 PolarHBondContact O-N 2.9Å |
| 607 | E | 85.9 | Confident | 88.3 | Confident | 93 Ų | 93 | 97 Ų | 97 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 179.8 | -154.1 | 56.9 | -146.1 | 0 | 0 | 111.1 | E603 A609 K610 C611 | E603-E607 WeakPolarHBondContact O-CB 3.21Å; E603-E607 PolarHBondContact O-N 3.09Å; E607-A609 VanDerWaalsContact C-N 3.32Å; E607-A609 PolarHBondContact O-N 3.14Å; E607-K610 PolarHBondContact O-N 2.89Å; E607-K610 WeakPolarHBondContact OE2-CD 3.47Å; E607-K610 IonicContact OE2-NZ 2.93Å; E607-K610 PolarHBondContact OE2-NZ 2.96Å; E607-C611 WeakPolarHBondContact O-CB 3.42Å; E607-C611 PolarHBondContact O-N 3.25Å; E607-C611 PolarHBondContact O-SG 3.04Å |
| 608 | R | 88.1 | Confident | 88 | Confident | 151 Ų | 151 | 99.2 Ų | 99.2 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60 | -40.3 | 169.5 | -77.5 | 171.6 | -176 | 151.5 | 2.7 | 112.3 | M604 S605 C611 A612 | M604-R608 VanDerWaalsContact O-CB 3.29Å; M604-R608 WeakPolarHBondContact O-CB 3.46Å; M604-R608 WeakPolarHBondContact O-CD 3.15Å; M604-R608 WeakPolarHBondContact O-CG 3.25Å; M604-R608 PolarHBondContact O-N 2.97Å; S605-R608 PolarHBondContact O-N 3.44Å; R608-C611 PolarHBondContact O-N 2.82Å; R608-A612 WeakPolarHBondContact O-CB 3.1Å; R608-A612 PolarHBondContact O-N 3.27Å |
| 609 | A | 88.3 | Confident | 87.9 | Confident | 45 Ų | 45 | 97.5 Ų | 97.5 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | S605 E606 E607 K613 | S605-A609 WeakPolarHBondContact O-CB 3.3Å; S605-A609 PolarHBondContact O-N 2.77Å; E606-A609 CarbonylContact O-C 3.57Å; E606-A609 WeakPolarHBondContact O-CB 3.28Å; E606-A609 PolarHBondContact O-N 3.26Å; E606-A609 VanDerWaalsContact O-N 3.13Å; E607-A609 VanDerWaalsContact C-N 3.32Å; E607-A609 PolarHBondContact O-N 3.14Å; A609-K613 WeakPolarHBondContact O-CB 3.46Å; A609-K613 VanDerWaalsContact O-CG 3.28Å; A609-K613 WeakPolarHBondContact O-CG 3.45Å; A609-K613 PolarHBondContact O-N 2.91Å |
| 610 | K | 90.3 | Very high | 87.6 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 42% | 0.422 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 172.5 | -69 | 175.3 | -151.8 | 155 | 0 | 111 | E606 E607 A612 K613 L614 | E606-K610 WeakPolarHBondContact O-CG 3.37Å; E606-K610 PolarHBondContact O-N 2.9Å; E607-K610 PolarHBondContact O-N 2.89Å; E607-K610 WeakPolarHBondContact OE2-CD 3.47Å; E607-K610 IonicContact OE2-NZ 2.93Å; E607-K610 PolarHBondContact OE2-NZ 2.96Å; K610-A612 VanDerWaalsContact C-N 3.34Å; K610-A612 PolarHBondContact O-N 3.32Å; K610-K613 PolarHBondContact O-N 3.47Å; K610-L614 WeakPolarHBondContact O-CG 3.23Å; K610-L614 PolarHBondContact O-N 2.8Å |
| 611 | C | 84.1 | Confident | 87.5 | Confident | 60 Ų | 60 | 101.3 Ų | 101.3 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 174.6 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | E607 R608 K613 L614 E615 | E607-C611 WeakPolarHBondContact O-CB 3.42Å; E607-C611 PolarHBondContact O-N 3.25Å; E607-C611 PolarHBondContact O-SG 3.04Å; R608-C611 PolarHBondContact O-N 2.82Å; C611-K613 PolarHBondContact O-N 3.26Å; C611-L614 PolarHBondContact O-N 3.08Å; C611-E615 WeakPolarHBondContact O-CB 3.04Å; C611-E615 WeakPolarHBondContact O-CG 2.68Å; C611-E615 PolarHBondContact O-N 3.01Å |
| 612 | A | 88.3 | Confident | 87.2 | Confident | 51 Ų | 51 | 98.3 Ų | 98.3 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | R608 K610 Q616 | R608-A612 WeakPolarHBondContact O-CB 3.1Å; R608-A612 PolarHBondContact O-N 3.27Å; K610-A612 VanDerWaalsContact C-N 3.34Å; K610-A612 PolarHBondContact O-N 3.32Å; A612-Q616 WeakPolarHBondContact O-CB 2.96Å; A612-Q616 PolarHBondContact O-N 3.07Å |
| 613 | K | 88.8 | Confident | 87 | Confident | 138 Ų | 138 | 96.7 Ų | 96.7 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -40.8 | 174.1 | -75.3 | 171.4 | -176.1 | 174 | 0 | 112 | A609 K610 C611 Q616 C617 | A609-K613 WeakPolarHBondContact O-CB 3.46Å; A609-K613 VanDerWaalsContact O-CG 3.28Å; A609-K613 WeakPolarHBondContact O-CG 3.45Å; A609-K613 PolarHBondContact O-N 2.91Å; K610-K613 PolarHBondContact O-N 3.47Å; C611-K613 PolarHBondContact O-N 3.26Å; K613-Q616 PolarHBondContact O-N 3.44Å; K613-C617 WeakPolarHBondContact O-CB 2.94Å; K613-C617 PolarHBondContact O-N 3.14Å; K613-C617 PolarHBondContact O-SG 2.86Å |
| 614 | L | 83.3 | Confident | 86.7 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.5 | -45.3 | 177 | -74.7 | 172.7 | 0 | 0 | 0 | 111.1 | K610 C611 Q616 C617 I618 | K610-L614 WeakPolarHBondContact O-CG 3.23Å; K610-L614 PolarHBondContact O-N 2.8Å; C611-L614 PolarHBondContact O-N 3.08Å; L614-Q616 VanDerWaalsContact C-N 3.3Å; L614-Q616 PolarHBondContact O-N 3.47Å; L614-C617 PolarHBondContact O-N 2.99Å; L614-C617 VanDerWaalsContact O-N 3.16Å; L614-I618 WeakPolarHBondContact O-CB 3.05Å; L614-I618 VanDerWaalsContact O-CG1 3.28Å; L614-I618 WeakPolarHBondContact O-CG1 3.02Å; L614-I618 PolarHBondContact O-N 2.8Å |
| 615 | E | 85 | Confident | 86.7 | Confident | 135 Ų | 135 | 94.3 Ų | 94.3 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.2 | -44.2 | 173.3 | -76 | 173.7 | -176.7 | 0 | 0 | 111.3 | C611 I618 L619 | C611-E615 WeakPolarHBondContact O-CB 3.04Å; C611-E615 WeakPolarHBondContact O-CG 2.68Å; C611-E615 PolarHBondContact O-N 3.01Å; E615-I618 PolarHBondContact O-N 3.48Å; E615-L619 WeakPolarHBondContact O-CB 3.07Å; E615-L619 PolarHBondContact O-N 2.87Å |
| 616 | Q | 86.1 | Confident | 86.4 | Confident | 120 Ų | 120 | 97.8 Ų | 97.8 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.1 | -38.6 | 176.3 | -167.2 | 173.9 | 33.8 | 0 | 0 | 112.4 | A612 K613 L614 L619 N620 | A612-Q616 WeakPolarHBondContact O-CB 2.96Å; A612-Q616 PolarHBondContact O-N 3.07Å; K613-Q616 PolarHBondContact O-N 3.44Å; L614-Q616 VanDerWaalsContact C-N 3.3Å; L614-Q616 PolarHBondContact O-N 3.47Å; Q616-L619 PolarHBondContact O-N 2.83Å; Q616-N620 WeakPolarHBondContact O-CB 3.38Å; Q616-N620 PolarHBondContact O-N 3.4Å; Q616-N620 PolarHBondContact O-ND2 3.35Å |
| 617 | C | 87.1 | Confident | 86 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 54% | 0.541 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 174.6 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | K613 L614 N620 Y621 | K613-C617 WeakPolarHBondContact O-CB 2.94Å; K613-C617 PolarHBondContact O-N 3.14Å; K613-C617 PolarHBondContact O-SG 2.86Å; L614-C617 PolarHBondContact O-N 2.99Å; L614-C617 VanDerWaalsContact O-N 3.16Å; C617-N620 PolarHBondContact O-N 3.22Å; C617-Y621 VanDerWaalsContact O-CB 3.26Å; C617-Y621 WeakPolarHBondContact O-CB 3.46Å; C617-Y621 PolarHBondContact O-N 3.2Å |
| 618 | I | 85.5 | Confident | 86 | Confident | 106 Ų | 106 | 97.7 Ų | 97.7 | 54% | 0.544 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.8 | -69.1 | 166.3 | 0 | 0 | 0 | 109.4 | L614 E615 N620 Y621 T622 | L614-I618 WeakPolarHBondContact O-CB 3.05Å; L614-I618 VanDerWaalsContact O-CG1 3.28Å; L614-I618 WeakPolarHBondContact O-CG1 3.02Å; L614-I618 PolarHBondContact O-N 2.8Å; E615-I618 PolarHBondContact O-N 3.48Å; I618-N620 VanDerWaalsContact C-N 3.35Å; I618-N620 PolarHBondContact O-N 2.86Å; I618-Y621 PolarHBondContact O-N 2.87Å; I618-Y621 VanDerWaalsContact O-N 3.15Å; I618-T622 HydrophobicContact CG2-CG2 4.21Å; I618-T622 WeakPolarHBondContact O-CG2 2.82Å; I618-T622 PolarHBondContact O-N 3.46Å; I618-T622 PolarHBondContact O-OG1 2.97Å; I618-T622 VanDerWaalsContact O-OG1 3.07Å |
| 619 | L | 89.3 | Confident | 85.5 | Confident | 105 Ų | 105 | 94.7 Ų | 94.7 | 55% | 0.55 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.6 | -176.7 | 67.3 | 0 | 0 | 0 | 112.5 | E615 Q616 T622 S623 | E615-L619 WeakPolarHBondContact O-CB 3.07Å; E615-L619 PolarHBondContact O-N 2.87Å; Q616-L619 PolarHBondContact O-N 2.83Å; L619-T622 WeakPolarHBondContact CA-OG1 2.91Å; L619-T622 PolarHBondContact O-OG1 3.06Å; L619-S623 VanDerWaalsContact O-CB 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.38Å; L619-S623 PolarHBondContact O-N 3.38Å; L619-S623 PolarHBondContact O-OG 3.39Å |
| 620 | N | 87.3 | Confident | 85.2 | Confident | 99 Ų | 99 | 97.1 Ų | 97.1 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 175.9 | -73.4 | -17.1 | 0 | 0 | 0 | 111.3 | Q616 C617 I618 S624 | Q616-N620 WeakPolarHBondContact O-CB 3.38Å; Q616-N620 PolarHBondContact O-N 3.4Å; Q616-N620 PolarHBondContact O-ND2 3.35Å; C617-N620 PolarHBondContact O-N 3.22Å; I618-N620 VanDerWaalsContact C-N 3.35Å; I618-N620 PolarHBondContact O-N 2.86Å; N620-S624 WeakPolarHBondContact O-CB 3.21Å; N620-S624 PolarHBondContact O-N 3.18Å |
| 621 | Y | 85 | Confident | 84.9 | Confident | 162 Ų | 162 | 96.3 Ų | 96.3 | 64% | 0.635 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -46.4 | 178.5 | -170.1 | -93.1 | 0 | 0 | 0 | 111.5 | C617 I618 S624 F625 | C617-Y621 VanDerWaalsContact O-CB 3.26Å; C617-Y621 WeakPolarHBondContact O-CB 3.46Å; C617-Y621 PolarHBondContact O-N 3.2Å; I618-Y621 PolarHBondContact O-N 2.87Å; I618-Y621 VanDerWaalsContact O-N 3.15Å; Y621-S624 PolarHBondContact O-N 3.49Å; Y621-F625 HydrophobicContact CE1-CB 4.49Å; Y621-F625 HydrophobicContact CE1-CD2 4.4Å; Y621-F625 WeakPolarHBondContact O-CB 2.95Å; Y621-F625 PolarHBondContact O-N 3.11Å |
| 622 | T | 85.6 | Confident | 85 | Confident | 53 Ų | 53 | 99.1 Ų | 99.1 | 33% | 0.325 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 111 | I618 L619 S624 F625 E626 | I618-T622 HydrophobicContact CG2-CG2 4.21Å; I618-T622 WeakPolarHBondContact O-CG2 2.82Å; I618-T622 PolarHBondContact O-N 3.46Å; I618-T622 PolarHBondContact O-OG1 2.97Å; I618-T622 VanDerWaalsContact O-OG1 3.07Å; L619-T622 WeakPolarHBondContact CA-OG1 2.91Å; L619-T622 PolarHBondContact O-OG1 3.06Å; T622-S624 PolarHBondContact O-N 2.74Å; T622-F625 PolarHBondContact O-N 2.96Å; T622-E626 VanDerWaalsContact O-CB 3.31Å; T622-E626 WeakPolarHBondContact O-CB 3.46Å; T622-E626 VanDerWaalsContact O-CG 3.27Å; T622-E626 WeakPolarHBondContact O-CG 2.79Å; T622-E626 PolarHBondContact O-N 3.02Å |
| 623 | S | 85.9 | Confident | 84.6 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.8 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | L619 F625 A627 | L619-S623 VanDerWaalsContact O-CB 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.38Å; L619-S623 PolarHBondContact O-N 3.38Å; L619-S623 PolarHBondContact O-OG 3.39Å; S623-F625 VanDerWaalsContact C-N 3.34Å; S623-A627 VanDerWaalsContact O-CB 3.25Å; S623-A627 WeakPolarHBondContact O-CB 3.38Å; S623-A627 PolarHBondContact O-N 2.97Å |
| 624 | S | 85.4 | Confident | 84.4 | Confident | 59 Ų | 59 | 97.5 Ų | 97.5 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 112.3 | N620 Y621 T622 K628 | N620-S624 WeakPolarHBondContact O-CB 3.21Å; N620-S624 PolarHBondContact O-N 3.18Å; Y621-S624 PolarHBondContact O-N 3.49Å; T622-S624 PolarHBondContact O-N 2.74Å; S624-K628 WeakPolarHBondContact O-CB 3.38Å; S624-K628 WeakPolarHBondContact O-CG 3.37Å; S624-K628 PolarHBondContact O-N 2.83Å |
| 625 | F | 82.4 | Confident | 84.5 | Confident | 97 Ų | 97 | 95 Ų | 95 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.7 | -46.3 | -179.6 | -175.4 | -100.3 | 0 | 0 | 0 | 110.7 | Y621 T622 S623 A627 K628 H629 | Y621-F625 HydrophobicContact CE1-CB 4.49Å; Y621-F625 HydrophobicContact CE1-CD2 4.4Å; Y621-F625 WeakPolarHBondContact O-CB 2.95Å; Y621-F625 PolarHBondContact O-N 3.11Å; T622-F625 PolarHBondContact O-N 2.96Å; S623-F625 VanDerWaalsContact C-N 3.34Å; F625-A627 VanDerWaalsContact C-N 3.34Å; F625-A627 PolarHBondContact O-N 3.33Å; F625-K628 PolarHBondContact O-N 3.08Å; F625-H629 AromaticContact CD1-CD2 3.57Å; F625-H629 AromaticContact CD2-CD2 3.92Å; F625-H629 AromaticContact CE1-CD2 3.21Å; F625-H629 WeakPolarHBondContact CE1-CD2 3.31Å; F625-H629 AromaticContact CE1-NE2 3.41Å; F625-H629 WeakPolarHBondContact CE1-NE2 3.26Å; F625-H629 AromaticContact CE2-CD2 3.59Å; F625-H629 AromaticContact CE2-NE2 3.3Å; F625-H629 VanDerWaalsContact CE2-NE2 3.3Å; F625-H629 WeakPolarHBondContact CE2-NE2 3.32Å; F625-H629 AromaticContact CG-CD2 3.92Å; F625-H629 AromaticContact CZ-CD2 3.24Å; F625-H629 WeakPolarHBondContact CZ-CD2 3.45Å; F625-H629 AromaticContact CZ-NE2 2.92Å; F625-H629 WeakPolarHBondContact CZ-NE2 3.44Å; F625-H629 WeakPolarHBondContact O-CB 3.5Å; F625-H629 PolarHBondContact O-CD2 3.49Å; F625-H629 PolarHBondContact O-N 3.45Å |
| 626 | E | 82.5 | Confident | 84.4 | Confident | 132 Ų | 132 | 94 Ų | 94 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.1 | -43.9 | 172.1 | -73.7 | 174 | -175.8 | 0 | 0 | 111.1 | T622 K628 H629 Q630 | T622-E626 VanDerWaalsContact O-CB 3.31Å; T622-E626 WeakPolarHBondContact O-CB 3.46Å; T622-E626 VanDerWaalsContact O-CG 3.27Å; T622-E626 WeakPolarHBondContact O-CG 2.79Å; T622-E626 PolarHBondContact O-N 3.02Å; E626-K628 PolarHBondContact O-N 2.98Å; E626-H629 PolarHBondContact O-N 3.38Å; E626-Q630 WeakPolarHBondContact O-CB 3.34Å; E626-Q630 PolarHBondContact O-N 3.44Å |
| 627 | A | 81.9 | Confident | 84.3 | Confident | 61 Ų | 61 | 93.1 Ų | 93.1 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S623 F625 S631 | S623-A627 VanDerWaalsContact O-CB 3.25Å; S623-A627 WeakPolarHBondContact O-CB 3.38Å; S623-A627 PolarHBondContact O-N 2.97Å; F625-A627 VanDerWaalsContact C-N 3.34Å; F625-A627 PolarHBondContact O-N 3.33Å; A627-S631 WeakPolarHBondContact O-CB 3.28Å; A627-S631 PolarHBondContact O-N 3.33Å |
| 628 | K | 84.8 | Confident | 84 | Confident | 131 Ų | 131 | 92.1 Ų | 92.1 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.1 | -49.2 | 175.1 | -80.7 | -179.6 | -179.7 | 179.7 | 0 | 111.6 | S624 F625 E626 Q630 S631 E632 | S624-K628 WeakPolarHBondContact O-CB 3.38Å; S624-K628 WeakPolarHBondContact O-CG 3.37Å; S624-K628 PolarHBondContact O-N 2.83Å; F625-K628 PolarHBondContact O-N 3.08Å; E626-K628 PolarHBondContact O-N 2.98Å; K628-Q630 VanDerWaalsContact C-N 3.29Å; K628-Q630 PolarHBondContact O-N 3.36Å; K628-S631 WeakPolarHBondContact O-CB 3.36Å; K628-S631 PolarHBondContact O-N 3.03Å; K628-S631 VanDerWaalsContact O-N 3.16Å; K628-E632 WeakPolarHBondContact O-CG 2.68Å; K628-E632 PolarHBondContact O-N 3.19Å |
| 629 | H | 78.9 | Confident | 83.8 | Confident | 88 Ų | 88 | 92.4 Ų | 92.4 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 177.6 | -91.5 | -66.2 | 0 | 0 | 0 | 112.1 | F625 E626 E632 L633 | F625-H629 AromaticContact CD1-CD2 3.57Å; F625-H629 AromaticContact CD2-CD2 3.92Å; F625-H629 AromaticContact CE1-CD2 3.21Å; F625-H629 WeakPolarHBondContact CE1-CD2 3.31Å; F625-H629 AromaticContact CE1-NE2 3.41Å; F625-H629 WeakPolarHBondContact CE1-NE2 3.26Å; F625-H629 AromaticContact CE2-CD2 3.59Å; F625-H629 AromaticContact CE2-NE2 3.3Å; F625-H629 VanDerWaalsContact CE2-NE2 3.3Å; F625-H629 WeakPolarHBondContact CE2-NE2 3.32Å; F625-H629 AromaticContact CG-CD2 3.92Å; F625-H629 AromaticContact CZ-CD2 3.24Å; F625-H629 WeakPolarHBondContact CZ-CD2 3.45Å; F625-H629 AromaticContact CZ-NE2 2.92Å; F625-H629 WeakPolarHBondContact CZ-NE2 3.44Å; F625-H629 WeakPolarHBondContact O-CB 3.5Å; F625-H629 PolarHBondContact O-CD2 3.49Å; F625-H629 PolarHBondContact O-N 3.45Å; E626-H629 PolarHBondContact O-N 3.38Å; H629-E632 IonicContact ND1-OE2 3.65Å; H629-E632 PolarHBondContact O-N 2.91Å; H629-L633 WeakPolarHBondContact O-CB 3.33Å; H629-L633 PolarHBondContact O-N 2.87Å |
| 630 | Q | 82 | Confident | 83.5 | Confident | 96 Ų | 96 | 93.3 Ų | 93.3 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.8 | -169.3 | 62.4 | 31.2 | 0 | 0 | 111 | E626 K628 L633 D634 | E626-Q630 WeakPolarHBondContact O-CB 3.34Å; E626-Q630 PolarHBondContact O-N 3.44Å; K628-Q630 VanDerWaalsContact C-N 3.29Å; K628-Q630 PolarHBondContact O-N 3.36Å; Q630-L633 PolarHBondContact O-N 3.39Å; Q630-D634 PolarHBondContact NE2-OD1 2.88Å; Q630-D634 PolarHBondContact NE2-OD2 2.94Å; Q630-D634 VanDerWaalsContact O-CB 3.32Å; Q630-D634 WeakPolarHBondContact O-CB 3.26Å; Q630-D634 PolarHBondContact O-N 3.36Å |
| 631 | S | 84.4 | Confident | 83.2 | Confident | 81 Ų | 81 | 93.9 Ų | 93.9 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | A627 K628 D634 S635 | A627-S631 WeakPolarHBondContact O-CB 3.28Å; A627-S631 PolarHBondContact O-N 3.33Å; K628-S631 WeakPolarHBondContact O-CB 3.36Å; K628-S631 PolarHBondContact O-N 3.03Å; K628-S631 VanDerWaalsContact O-N 3.16Å; S631-D634 PolarHBondContact O-N 2.67Å; S631-S635 WeakPolarHBondContact O-CB 3.41Å; S631-S635 PolarHBondContact O-N 2.9Å |
| 632 | E | 84.6 | Confident | 82.8 | Confident | 118 Ų | 118 | 92.5 Ų | 92.5 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | 176.9 | -74.4 | 174.2 | -175.8 | 0 | 0 | 111.1 | K628 H629 S635 L636 | K628-E632 WeakPolarHBondContact O-CG 2.68Å; K628-E632 PolarHBondContact O-N 3.19Å; H629-E632 IonicContact ND1-OE2 3.65Å; H629-E632 PolarHBondContact O-N 2.91Å; E632-S635 WeakPolarHBondContact O-CB 3.36Å; E632-S635 PolarHBondContact O-N 3.35Å; E632-L636 WeakPolarHBondContact O-CB 3.4Å; E632-L636 PolarHBondContact O-N 2.9Å |
| 633 | L | 81.9 | Confident | 82.4 | Confident | 82 Ų | 82 | 93.1 Ų | 93.1 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.4 | -169.4 | 91.9 | 0 | 0 | 0 | 110.9 | H629 Q630 L636 K637 | H629-L633 WeakPolarHBondContact O-CB 3.33Å; H629-L633 PolarHBondContact O-N 2.87Å; Q630-L633 PolarHBondContact O-N 3.39Å; L633-L636 PolarHBondContact O-N 2.84Å; L633-K637 VanDerWaalsContact CD2-NZ 3.29Å; L633-K637 WeakPolarHBondContact O-CB 3.42Å; L633-K637 VanDerWaalsContact O-CG 3.22Å; L633-K637 WeakPolarHBondContact O-CG 3.36Å; L633-K637 PolarHBondContact O-N 3.23Å |
| 634 | D | 84.3 | Confident | 81.9 | Confident | 73 Ų | 73 | 92.4 Ų | 92.4 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.6 | -33.6 | 178.8 | -68.4 | -24 | 0 | 0 | 0 | 111.8 | Q630 S631 K637 A638 | Q630-D634 PolarHBondContact NE2-OD1 2.88Å; Q630-D634 PolarHBondContact NE2-OD2 2.94Å; Q630-D634 VanDerWaalsContact O-CB 3.32Å; Q630-D634 WeakPolarHBondContact O-CB 3.26Å; Q630-D634 PolarHBondContact O-N 3.36Å; S631-D634 PolarHBondContact O-N 2.67Å; D634-K637 IonicContact OD1-NZ 3.86Å; D634-K637 PolarHBondContact OD1-NZ 3.04Å; D634-A638 WeakPolarHBondContact O-CB 3Å; D634-A638 PolarHBondContact O-N 3.4Å |
| 635 | S | 84.5 | Confident | 81.5 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 168.1 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | S631 E632 K637 A638 E639 | S631-S635 WeakPolarHBondContact O-CB 3.41Å; S631-S635 PolarHBondContact O-N 2.9Å; E632-S635 WeakPolarHBondContact O-CB 3.36Å; E632-S635 PolarHBondContact O-N 3.35Å; S635-K637 VanDerWaalsContact C-N 3.33Å; S635-K637 PolarHBondContact O-N 3.48Å; S635-A638 WeakPolarHBondContact O-CB 2.77Å; S635-A638 PolarHBondContact O-N 3.3Å; S635-A638 VanDerWaalsContact O-N 3.07Å; S635-E639 PolarHBondContact O-N 3.46Å |
| 636 | L | 83.5 | Confident | 81.2 | Confident | 114 Ų | 114 | 95.4 Ų | 95.4 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | -179.9 | -154.5 | 82.5 | 0 | 0 | 0 | 111.4 | E632 L633 A638 E639 L640 | E632-L636 WeakPolarHBondContact O-CB 3.4Å; E632-L636 PolarHBondContact O-N 2.9Å; L633-L636 PolarHBondContact O-N 2.84Å; L636-A638 VanDerWaalsContact C-N 3.34Å; L636-E639 PolarHBondContact O-N 3.01Å; L636-L640 VanDerWaalsContact O-CB 3.25Å; L636-L640 WeakPolarHBondContact O-CB 3.25Å; L636-L640 PolarHBondContact O-N 3.44Å |
| 637 | K | 84.4 | Confident | 80.7 | Confident | 101 Ų | 101 | 92.6 Ų | 92.6 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 171.6 | -75.7 | 171 | -169.1 | 161 | 0 | 111.5 | L633 D634 S635 L641 | L633-K637 VanDerWaalsContact CD2-NZ 3.29Å; L633-K637 WeakPolarHBondContact O-CB 3.42Å; L633-K637 VanDerWaalsContact O-CG 3.22Å; L633-K637 WeakPolarHBondContact O-CG 3.36Å; L633-K637 PolarHBondContact O-N 3.23Å; D634-K637 IonicContact OD1-NZ 3.86Å; D634-K637 PolarHBondContact OD1-NZ 3.04Å; S635-K637 VanDerWaalsContact C-N 3.33Å; S635-K637 PolarHBondContact O-N 3.48Å; K637-L641 WeakPolarHBondContact O-CB 3.43Å; K637-L641 PolarHBondContact O-N 3.26Å |
| 638 | A | 80.4 | Confident | 80.3 | Confident | 58 Ų | 58 | 94.6 Ų | 94.6 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D634 S635 L636 L641 Q642 | D634-A638 WeakPolarHBondContact O-CB 3Å; D634-A638 PolarHBondContact O-N 3.4Å; S635-A638 WeakPolarHBondContact O-CB 2.77Å; S635-A638 PolarHBondContact O-N 3.3Å; S635-A638 VanDerWaalsContact O-N 3.07Å; L636-A638 VanDerWaalsContact C-N 3.34Å; A638-L641 PolarHBondContact O-N 2.95Å; A638-Q642 WeakPolarHBondContact O-CB 3.15Å; A638-Q642 PolarHBondContact O-N 3.47Å |
| 639 | E | 81.4 | Confident | 79.5 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.2 | -75.3 | 178.1 | -169.2 | 0 | 0 | 111.9 | S635 L636 L641 Q642 S643 | S635-E639 PolarHBondContact O-N 3.46Å; L636-E639 PolarHBondContact O-N 3.01Å; E639-L641 PolarHBondContact O-N 3.49Å; E639-Q642 CarbonylContact O-C 2.9Å; E639-Q642 PolarHBondContact O-N 2.94Å; E639-S643 WeakPolarHBondContact O-CB 3.05Å; E639-S643 PolarHBondContact O-N 3.39Å |
| 640 | L | 82.7 | Confident | 79.1 | Confident | 124 Ų | 124 | 91.5 Ų | 91.5 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 176.4 | -177.8 | 66.4 | 0 | 0 | 0 | 111.4 | L636 Q642 S643 A644 | L636-L640 VanDerWaalsContact O-CB 3.25Å; L636-L640 WeakPolarHBondContact O-CB 3.25Å; L636-L640 PolarHBondContact O-N 3.44Å; L640-Q642 VanDerWaalsContact C-N 3.31Å; L640-Q642 PolarHBondContact O-N 2.99Å; L640-S643 PolarHBondContact O-N 2.98Å; L640-A644 VanDerWaalsContact O-CB 3.24Å; L640-A644 WeakPolarHBondContact O-CB 3.26Å; L640-A644 PolarHBondContact O-N 3.25Å |
| 641 | L | 80.1 | Confident | 78.3 | Confident | 112 Ų | 112 | 92.7 Ų | 92.7 | 59% | 0.586 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -38.9 | 173.7 | -91.6 | 169.3 | 0 | 0 | 0 | 111.7 | K637 A638 E639 K645 | K637-L641 WeakPolarHBondContact O-CB 3.43Å; K637-L641 PolarHBondContact O-N 3.26Å; A638-L641 PolarHBondContact O-N 2.95Å; E639-L641 PolarHBondContact O-N 3.49Å; L641-K645 WeakPolarHBondContact O-CB 3.31Å; L641-K645 VanDerWaalsContact O-CG 3.3Å; L641-K645 WeakPolarHBondContact O-CG 2.93Å; L641-K645 PolarHBondContact O-N 2.9Å |
| 642 | Q | 78.2 | Confident | 77.3 | Confident | 133 Ų | 133 | 94.7 Ų | 94.7 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.4 | -44.9 | 177 | -157.9 | -173.3 | 3.7 | 0 | 0 | 111 | A638 E639 L640 A644 K645 T646 | A638-Q642 WeakPolarHBondContact O-CB 3.15Å; A638-Q642 PolarHBondContact O-N 3.47Å; E639-Q642 CarbonylContact O-C 2.9Å; E639-Q642 PolarHBondContact O-N 2.94Å; L640-Q642 VanDerWaalsContact C-N 3.31Å; L640-Q642 PolarHBondContact O-N 2.99Å; Q642-A644 PolarHBondContact O-N 3.3Å; Q642-K645 WeakPolarHBondContact O-CB 3.08Å; Q642-K645 PolarHBondContact O-N 3.04Å; Q642-T646 PolarHBondContact O-N 2.94Å; Q642-T646 PolarHBondContact O-OG1 2.92Å |
| 643 | S | 76.4 | Confident | 76.3 | Confident | 65 Ų | 65 | 94.3 Ų | 94.3 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | E639 L640 K645 T646 V647 | E639-S643 WeakPolarHBondContact O-CB 3.05Å; E639-S643 PolarHBondContact O-N 3.39Å; L640-S643 PolarHBondContact O-N 2.98Å; S643-K645 VanDerWaalsContact C-N 3.34Å; S643-K645 PolarHBondContact O-N 3.41Å; S643-T646 CarbonylContact O-C 3.53Å; S643-T646 WeakPolarHBondContact O-CA 2.91Å; S643-T646 WeakPolarHBondContact O-CB 3.05Å; S643-T646 PolarHBondContact O-N 3Å; S643-V647 WeakPolarHBondContact O-CG2 3.3Å; S643-V647 PolarHBondContact O-N 2.97Å |
| 644 | A | 74.9 | Confident | 75.3 | Confident | 46 Ų | 46 | 95.1 Ų | 95.1 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L640 Q642 T646 V647 L648 | L640-A644 VanDerWaalsContact O-CB 3.24Å; L640-A644 WeakPolarHBondContact O-CB 3.26Å; L640-A644 PolarHBondContact O-N 3.25Å; Q642-A644 PolarHBondContact O-N 3.3Å; A644-T646 VanDerWaalsContact C-N 3.33Å; A644-V647 PolarHBondContact O-N 3.3Å; A644-L648 WeakPolarHBondContact O-CB 3.34Å; A644-L648 PolarHBondContact O-N 3.46Å |
| 645 | K | 76.6 | Confident | 73.9 | Confident | 147 Ų | 147 | 94.2 Ų | 94.2 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -41.5 | 171.4 | -76.6 | 175.7 | -176.7 | -179.7 | 0 | 111.8 | L641 Q642 S643 L648 S649 | L641-K645 WeakPolarHBondContact O-CB 3.31Å; L641-K645 VanDerWaalsContact O-CG 3.3Å; L641-K645 WeakPolarHBondContact O-CG 2.93Å; L641-K645 PolarHBondContact O-N 2.9Å; Q642-K645 WeakPolarHBondContact O-CB 3.08Å; Q642-K645 PolarHBondContact O-N 3.04Å; S643-K645 VanDerWaalsContact C-N 3.34Å; S643-K645 PolarHBondContact O-N 3.41Å; K645-L648 PolarHBondContact O-N 3.4Å; K645-S649 WeakPolarHBondContact O-CB 2.84Å; K645-S649 PolarHBondContact O-N 3.3Å |
| 646 | T | 76.9 | Confident | 72.6 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 179 | -38.8 | 0 | 0 | 0 | 0 | 111.1 | Q642 S643 A644 S649 L650 | Q642-T646 PolarHBondContact O-N 2.94Å; Q642-T646 PolarHBondContact O-OG1 2.92Å; S643-T646 CarbonylContact O-C 3.53Å; S643-T646 WeakPolarHBondContact O-CA 2.91Å; S643-T646 WeakPolarHBondContact O-CB 3.05Å; S643-T646 PolarHBondContact O-N 3Å; A644-T646 VanDerWaalsContact C-N 3.33Å; T646-S649 WeakPolarHBondContact O-CB 3.35Å; T646-S649 PolarHBondContact O-N 2.92Å; T646-L650 HydrophobicContact CG2-CD1 4.4Å; T646-L650 WeakPolarHBondContact O-CB 3.23Å; T646-L650 WeakPolarHBondContact O-CG 3.45Å; T646-L650 PolarHBondContact O-N 3.16Å |
| 647 | V | 72.5 | Confident | 71.3 | Confident | 72 Ų | 72 | 95 Ų | 95 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 111 | S643 A644 L650 Q651 | S643-V647 WeakPolarHBondContact O-CG2 3.3Å; S643-V647 PolarHBondContact O-N 2.97Å; A644-V647 PolarHBondContact O-N 3.3Å; V647-L650 PolarHBondContact O-N 3.23Å; V647-Q651 HydrophobicContact CG1-CG 4.49Å; V647-Q651 VanDerWaalsContact O-CB 3.31Å; V647-Q651 WeakPolarHBondContact O-CB 3.1Å; V647-Q651 WeakPolarHBondContact O-CG 3.42Å; V647-Q651 PolarHBondContact O-N 3.49Å |
| 648 | L | 72.4 | Confident | 69.4 | Low | 104 Ų | 104 | 99.2 Ų | 99.2 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 173.4 | -91.8 | 161.9 | 0 | 0 | 0 | 111.8 | A644 K645 Q651 M652 | A644-L648 WeakPolarHBondContact O-CB 3.34Å; A644-L648 PolarHBondContact O-N 3.46Å; K645-L648 PolarHBondContact O-N 3.4Å; L648-Q651 PolarHBondContact O-N 3.46Å; L648-M652 WeakPolarHBondContact O-CG 3.46Å; L648-M652 PolarHBondContact O-N 3.46Å |
| 649 | S | 67.7 | Low | 67.8 | Low | 59 Ų | 59 | 106.9 Ų | 106.9 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 175.6 | -163.6 | 0 | 0 | 0 | 0 | 111.5 | K645 T646 Q651 M652 E653 | K645-S649 WeakPolarHBondContact O-CB 2.84Å; K645-S649 PolarHBondContact O-N 3.3Å; T646-S649 WeakPolarHBondContact O-CB 3.35Å; T646-S649 PolarHBondContact O-N 2.92Å; S649-Q651 VanDerWaalsContact C-N 3.35Å; S649-M652 CarbonylContact O-C 2.98Å; S649-M652 WeakPolarHBondContact O-CB 3.14Å; S649-M652 PolarHBondContact O-N 3.34Å; S649-M652 VanDerWaalsContact O-N 3.15Å; S649-E653 PolarHBondContact O-N 3.1Å |
| 650 | L | 72.1 | Confident | 66.1 | Low | 95 Ų | 95 | 109.5 Ų | 109.5 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 175.3 | -74.3 | 170.6 | 0 | 0 | 0 | 111.8 | T646 V647 M652 E653 L654 | T646-L650 HydrophobicContact CG2-CD1 4.4Å; T646-L650 WeakPolarHBondContact O-CB 3.23Å; T646-L650 WeakPolarHBondContact O-CG 3.45Å; T646-L650 PolarHBondContact O-N 3.16Å; V647-L650 PolarHBondContact O-N 3.23Å; L650-M652 VanDerWaalsContact C-N 3.29Å; L650-E653 PolarHBondContact O-N 3.28Å; L650-L654 WeakPolarHBondContact O-CA 3.24Å; L650-L654 WeakPolarHBondContact O-CB 3.42Å; L650-L654 PolarHBondContact O-N 2.79Å |
| 651 | Q | 63.7 | Low | 64 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66 | -35 | 172 | -85.3 | -178.2 | -17.1 | 0 | 0 | 111.3 | V647 L648 S649 A655 | V647-Q651 HydrophobicContact CG1-CG 4.49Å; V647-Q651 VanDerWaalsContact O-CB 3.31Å; V647-Q651 WeakPolarHBondContact O-CB 3.1Å; V647-Q651 WeakPolarHBondContact O-CG 3.42Å; V647-Q651 PolarHBondContact O-N 3.49Å; L648-Q651 PolarHBondContact O-N 3.46Å; S649-Q651 VanDerWaalsContact C-N 3.35Å; Q651-A655 WeakPolarHBondContact O-CB 3.2Å; Q651-A655 PolarHBondContact O-N 3.01Å |
| 652 | M | 63.2 | Low | 61.7 | Low | 122 Ų | 122 | 110.9 Ų | 110.9 | 60% | 0.601 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.8 | -47.4 | 172.7 | -71.3 | -179.8 | 62.8 | 0 | 0 | 111.4 | L648 S649 L650 L654 A655 E656 | L648-M652 WeakPolarHBondContact O-CG 3.46Å; L648-M652 PolarHBondContact O-N 3.46Å; S649-M652 CarbonylContact O-C 2.98Å; S649-M652 WeakPolarHBondContact O-CB 3.14Å; S649-M652 PolarHBondContact O-N 3.34Å; S649-M652 VanDerWaalsContact O-N 3.15Å; L650-M652 VanDerWaalsContact C-N 3.29Å; M652-L654 VanDerWaalsContact C-N 3.34Å; M652-L654 PolarHBondContact O-N 3.24Å; M652-A655 PolarHBondContact O-N 3.05Å; M652-E656 WeakPolarHBondContact O-CB 3.37Å; M652-E656 PolarHBondContact O-N 3.43Å |
| 653 | E | 65.2 | Low | 59.7 | Low | 110 Ų | 110 | 108.3 Ų | 108.3 | 51% | 0.514 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.1 | -38.4 | 175.1 | -75.9 | 179.9 | -179.1 | 0 | 0 | 111.8 | S649 L650 E656 E657 | S649-E653 PolarHBondContact O-N 3.1Å; L650-E653 PolarHBondContact O-N 3.28Å; E653-E656 CarbonylContact O-C 3.55Å; E653-E656 PolarHBondContact O-N 3.35Å; E653-E657 WeakPolarHBondContact O-CB 3.48Å; E653-E657 PolarHBondContact O-N 2.96Å |
| 654 | L | 59.8 | Low | 57.5 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 52% | 0.518 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.5 | -29.5 | 176.3 | -163.5 | 106 | 0 | 0 | 0 | 111.3 | L650 M652 R658 | L650-L654 WeakPolarHBondContact O-CA 3.24Å; L650-L654 WeakPolarHBondContact O-CB 3.42Å; L650-L654 PolarHBondContact O-N 2.79Å; M652-L654 VanDerWaalsContact C-N 3.34Å; M652-L654 PolarHBondContact O-N 3.24Å; L654-R658 WeakPolarHBondContact O-CB 3.47Å; L654-R658 WeakPolarHBondContact O-CD 3.18Å; L654-R658 WeakPolarHBondContact O-CG 3.3Å; L654-R658 PolarHBondContact O-N 3.36Å |
| 655 | A | 55.7 | Low | 55.3 | Low | 55 Ų | 55 | 116.5 Ų | 116.5 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.6 | -35.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q651 M652 R659 | Q651-A655 WeakPolarHBondContact O-CB 3.2Å; Q651-A655 PolarHBondContact O-N 3.01Å; M652-A655 PolarHBondContact O-N 3.05Å; A655-R659 PolarHBondContact O-N 2.89Å |
| 656 | E | 57.7 | Low | 52.8 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 50% | 0.5 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.4 | -40.5 | 172.9 | -79.4 | 179.5 | 163.4 | 0 | 0 | 112.1 | M652 E653 R659 R660 | M652-E656 WeakPolarHBondContact O-CB 3.37Å; M652-E656 PolarHBondContact O-N 3.43Å; E653-E656 CarbonylContact O-C 3.55Å; E653-E656 PolarHBondContact O-N 3.35Å; E656-R659 WeakPolarHBondContact O-CA 3.41Å; E656-R659 WeakPolarHBondContact O-CB 3.45Å; E656-R659 PolarHBondContact O-N 3.47Å; E656-R659 VanDerWaalsContact O-N 3.12Å; E656-R660 PolarHBondContact O-N 3.28Å |
| 657 | E | 54.4 | Low | 50.5 | Low | 81 Ų | 81 | 120.8 Ų | 120.8 | 38% | 0.379 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.7 | -38.9 | 173.6 | -90.9 | -52.3 | 164.9 | 0 | 0 | 111.3 | E653 R659 R660 F661 | E653-E657 WeakPolarHBondContact O-CB 3.48Å; E653-E657 PolarHBondContact O-N 2.96Å; E657-R659 PolarHBondContact O-N 3.4Å; E657-R660 CarbonylContact O-C 3.59Å; E657-R660 PolarHBondContact O-N 3.34Å; E657-R660 VanDerWaalsContact OE2-CB 3.31Å; E657-R660 WeakPolarHBondContact OE2-CB 3.12Å; E657-F661 VanDerWaalsContact O-CB 3.28Å; E657-F661 WeakPolarHBondContact O-CB 3.26Å; E657-F661 PolarHBondContact O-N 2.92Å; E657-F661 WeakPolarHBondContact OE2-CD2 3.18Å |
| 658 | R | 44.7 | Very low | 48.2 | Very low | 190 Ų | 190 | 120.8 Ų | 120.8 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -58.2 | -25.1 | 170 | -80.3 | 172 | 174.5 | -100.6 | 0.6 | 112.6 | L654 | L654-R658 WeakPolarHBondContact O-CB 3.47Å; L654-R658 WeakPolarHBondContact O-CD 3.18Å; L654-R658 WeakPolarHBondContact O-CG 3.3Å; L654-R658 PolarHBondContact O-N 3.36Å |
| 659 | R | 47.5 | Very low | 46 | Very low | 218 Ų | 218 | 124.3 Ų | 124.3 | 82% | 0.823 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.4 | -27.3 | 170.1 | -79.4 | -176.8 | 174.5 | 161.7 | 0.1 | 113.9 | A655 E656 E657 | A655-R659 PolarHBondContact O-N 2.89Å; E656-R659 WeakPolarHBondContact O-CA 3.41Å; E656-R659 WeakPolarHBondContact O-CB 3.45Å; E656-R659 PolarHBondContact O-N 3.47Å; E656-R659 VanDerWaalsContact O-N 3.12Å; E657-R659 PolarHBondContact O-N 3.4Å |
| 660 | R | 45 | Very low | 44 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 63% | 0.634 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -92.5 | -43.8 | 178.7 | -70.1 | 179.9 | -178.1 | 160.5 | 4.5 | 113.1 | E656 E657 S662 A663 | E656-R660 PolarHBondContact O-N 3.28Å; E657-R660 CarbonylContact O-C 3.59Å; E657-R660 PolarHBondContact O-N 3.34Å; E657-R660 VanDerWaalsContact OE2-CB 3.31Å; E657-R660 WeakPolarHBondContact OE2-CB 3.12Å; R660-S662 VanDerWaalsContact C-N 3.26Å; R660-S662 PolarHBondContact O-N 2.94Å; R660-A663 WeakPolarHBondContact O-CB 3.06Å; R660-A663 PolarHBondContact O-N 3.45Å; R660-A663 VanDerWaalsContact O-N 3.1Å |
| 661 | F | 38.4 | Very low | 41.7 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 65% | 0.654 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -65.9 | -19.3 | 179.2 | -117.4 | -90.2 | 0 | 0 | 0 | 114.9 | E657 A663 E664 | E657-F661 VanDerWaalsContact O-CB 3.28Å; E657-F661 WeakPolarHBondContact O-CB 3.26Å; E657-F661 PolarHBondContact O-N 2.92Å; E657-F661 WeakPolarHBondContact OE2-CD2 3.18Å; F661-A663 PolarHBondContact O-N 3.46Å; F661-A663 VanDerWaalsContact O-N 3.1Å; F661-E664 PolarHBondContact O-N 3.5Å |
| 662 | S | 32.6 | Very low | 39.9 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -66.7 | -6.9 | 171.8 | -137.5 | 0 | 0 | 0 | 0 | 112.7 | R660 | R660-S662 VanDerWaalsContact C-N 3.26Å; R660-S662 PolarHBondContact O-N 2.94Å |
| 663 | A | 37.1 | Very low | 38 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -99.8 | -12.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R660 F661 | R660-A663 WeakPolarHBondContact O-CB 3.06Å; R660-A663 PolarHBondContact O-N 3.45Å; R660-A663 VanDerWaalsContact O-N 3.1Å; F661-A663 PolarHBondContact O-N 3.46Å; F661-A663 VanDerWaalsContact O-N 3.1Å |
| 664 | E | 28.4 | Very low | 36 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 64% | 0.64 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -145.9 | 117.9 | -170.5 | -116.1 | 130.7 | -166.9 | 0 | 0 | 114.3 | F661 | F661-E664 PolarHBondContact O-N 3.5Š|
| 665 | I | 29.2 | Very low | 34.3 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | 92 | 88.9 | 145.7 | -52.5 | 154.2 | 0 | 0 | 0 | 115.3 | ||||
| 666 | G | 25 | Very low | 32.8 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | trans | -75.9 | 125.5 | 134 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 667 | R | 27.8 | Very low | 31.2 | Very low | 239 Ų | 239 | 143.2 Ų | 143.2 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | trans | 175.2 | 119 | 143.8 | -103 | -176.1 | -113.2 | -108.1 | 5.4 | 112.1 | ||||
| 668 | G | 23.7 | Very low | 29.8 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | 72.9 | 155.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 669 | Q | 28.1 | Very low | 29.4 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | cis | -172.3 | 138.7 | 2.7 | -116.7 | 173.9 | -16 | 0 | 0 | 107.2 | ||||
| 670 | T | 24.3 | Very low | 28.8 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | trans | 55.7 | 107.6 | 139.2 | 58.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 671 | T | 24.5 | Very low | 28.2 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -32.4 | 132.3 | 135.4 | -47 | 0 | 0 | 0 | 0 | 117 | ||||
| 672 | E | 26.5 | Very low | 28.3 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -164 | 119.2 | 145.1 | -61.5 | -165.6 | 159 | 0 | 0 | 105.5 | ||||
| 673 | E | 22.7 | Very low | 29 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | 80.7 | 134.5 | 52.3 | -147.4 | -175.8 | -164.6 | 0 | 0 | 114.4 | |||||
| 674 | W | 22.6 | Very low | 30.1 | Very low | 198 Ų | 198 | 137.8 Ų | 137.8 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | trans | 108.5 | 115.6 | 152.9 | -61.3 | 102.2 | 0 | 0 | 0 | 122.7 | ||||
| 675 | S | 23.6 | Very low | 31.5 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | 90.2 | 140.2 | 122.6 | -58.3 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 676 | D | 25.5 | Very low | 32.9 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 134.1 | 111 | 141 | -73 | -8.4 | 0 | 0 | 0 | 111.6 | ||||
| 677 | L | 23 | Very low | 35 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | cis | 96.2 | 118.5 | 37.9 | -165.7 | 72.2 | 0 | 0 | 0 | 114 | ||||
| 678 | E | 26 | Very low | 37.2 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | trans | 58.8 | 122.7 | 151.6 | -75.2 | 165.8 | -177.8 | 0 | 0 | 122.7 | ||||
| 679 | V | 36.1 | Very low | 39.7 | Very low | 154 Ų | 154 | 129 Ų | 129 | 93% | 0.933 | 70% | 0.697 | S | S | * | * | trans | -145 | 107.7 | 143 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 680 | G | 34.9 | Very low | 42.2 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | 62.4 | 97.6 | 124.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 681 | E | 32.7 | Very low | 44.9 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 80% | 0.799 | 66% | 0.662 | S | S | * | * | trans | -110.4 | 43.4 | -178.2 | -158.3 | 179.2 | -173.5 | 0 | 0 | 114.4 | L684 | E681-L684 HydrophobicContact CG-CD1 4Š| ||
| 682 | A | 40.5 | Very low | 47.9 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 80% | 0.802 | 65% | 0.646 | S | S | * | * | trans | -109.4 | 11 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 683 | N | 47.1 | Very low | 50.6 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 65% | 0.647 | 63% | 0.632 | S | S | * | * | trans | -122.5 | 22.1 | -174.6 | -122.9 | 52.3 | 0 | 0 | 0 | 115.5 | M685 P686 E687 | N683-M685 PolarHBondContact O-N 2.97Å; N683-P686 WeakPolarHBondContact O-CD 3.35Å; N683-E687 WeakPolarHBondContact O-CG 3.42Å | ||
| 684 | L | 60 | Low | 53.7 | Low | 106 Ų | 106 | 117 Ų | 117 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.5 | -15.7 | -168.7 | -69 | 172 | 0 | 0 | 0 | 116.1 | E681 L688 | E681-L684 HydrophobicContact CG-CD1 4Å; L684-L688 WeakPolarHBondContact O-CB 3.35Å; L684-L688 PolarHBondContact O-N 2.92Å |
| 685 | M | 57.5 | Low | 56.8 | Low | 127 Ų | 127 | 111.9 Ų | 111.9 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -78.4 | -47.8 | -177.5 | -85.3 | -63.2 | -68 | 0 | 0 | 114.4 | N683 E687 L688 I689 | N683-M685 PolarHBondContact O-N 2.97Å; M685-E687 PolarHBondContact O-N 3.43Å; M685-L688 PolarHBondContact O-N 3.18Å; M685-L688 HydrophobicContact SD-CD2 4.43Å; M685-I689 WeakPolarHBondContact O-CG1 3.38Å; M685-I689 PolarHBondContact O-N 3.44Å; M685-I689 VanDerWaalsContact O-N 3.16Å |
| 686 | P | 59.5 | Low | 59.9 | Low | 79 Ų | 79 | 110.9 Ų | 110.9 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -56.6 | -37.7 | 166.2 | -23.7 | 31.9 | 0 | 0 | 0 | 111.5 | N683 I689 R690 | N683-P686 WeakPolarHBondContact O-CD 3.35Å; P686-I689 PolarHBondContact O-N 3.21Å; P686-R690 WeakPolarHBondContact O-CB 3.49Å; P686-R690 PolarHBondContact O-N 2.89Å |
| 687 | E | 67.8 | Low | 63 | Low | 64 Ų | 64 | 108.8 Ų | 108.8 | 30% | 0.299 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.2 | -41.3 | 177.8 | -73.8 | -65.7 | 120.2 | 0 | 0 | 112.9 | N683 M685 R690 N691 | N683-E687 WeakPolarHBondContact O-CG 3.42Å; M685-E687 PolarHBondContact O-N 3.43Å; E687-R690 CarbonylContact O-C 3.5Å; E687-R690 PolarHBondContact O-N 2.89Å; E687-R690 IonicContact OE1-CZ 3.59Å; E687-R690 IonicContact OE1-NE 2.84Å; E687-R690 PolarHBondContact OE1-NE 3.3Å; E687-R690 IonicContact OE1-NH2 3.51Å; E687-R690 IonicContact OE2-CZ 3.36Å; E687-R690 IonicContact OE2-NE 3.31Å; E687-R690 PolarHBondContact OE2-NE 3.2Å; E687-R690 IonicContact OE2-NH2 2.64Å; E687-R690 PolarHBondContact OE2-NH2 2.97Å; E687-N691 VanDerWaalsContact O-CB 3.23Å; E687-N691 WeakPolarHBondContact O-CB 3.17Å; E687-N691 PolarHBondContact O-N 3.46Å; E687-N691 PolarHBondContact O-ND2 3.37Å; E687-N691 VanDerWaalsContact O-ND2 3.1Å |
| 688 | L | 75.5 | Confident | 66 | Low | 109 Ų | 109 | 105.8 Ų | 105.8 | 57% | 0.571 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.1 | -41.9 | 176.7 | -175 | 69.1 | 0 | 0 | 0 | 111.3 | L684 M685 N691 R692 | L684-L688 WeakPolarHBondContact O-CB 3.35Å; L684-L688 PolarHBondContact O-N 2.92Å; M685-L688 PolarHBondContact O-N 3.18Å; M685-L688 HydrophobicContact SD-CD2 4.43Å; L688-N691 PolarHBondContact O-N 3.41Å; L688-R692 WeakPolarHBondContact O-CB 3.36Å; L688-R692 PolarHBondContact O-N 3.5Å |
| 689 | I | 75.7 | Confident | 69.1 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 175.4 | -64.5 | 171.4 | 0 | 0 | 0 | 110.1 | M685 P686 N691 R692 L693 | M685-I689 WeakPolarHBondContact O-CG1 3.38Å; M685-I689 PolarHBondContact O-N 3.44Å; M685-I689 VanDerWaalsContact O-N 3.16Å; P686-I689 PolarHBondContact O-N 3.21Å; I689-N691 PolarHBondContact O-N 3.09Å; I689-R692 PolarHBondContact O-N 3.3Å; I689-L693 HydrophobicContact CG2-CD1 3.98Å; I689-L693 HydrophobicContact CG2-CG 4.44Å; I689-L693 WeakPolarHBondContact O-CB 3.49Å; I689-L693 WeakPolarHBondContact O-CG 3.21Å; I689-L693 PolarHBondContact O-N 3.2Å |
| 690 | R | 79.9 | Confident | 71.7 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 45% | 0.453 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.9 | -170.5 | 180 | 72.4 | 71.9 | 0.2 | 111.3 | P686 E687 L693 Q694 | P686-R690 WeakPolarHBondContact O-CB 3.49Å; P686-R690 PolarHBondContact O-N 2.89Å; E687-R690 CarbonylContact O-C 3.5Å; E687-R690 PolarHBondContact O-N 2.89Å; E687-R690 IonicContact OE1-CZ 3.59Å; E687-R690 IonicContact OE1-NE 2.84Å; E687-R690 PolarHBondContact OE1-NE 3.3Å; E687-R690 IonicContact OE1-NH2 3.51Å; E687-R690 IonicContact OE2-CZ 3.36Å; E687-R690 IonicContact OE2-NE 3.31Å; E687-R690 PolarHBondContact OE2-NE 3.2Å; E687-R690 IonicContact OE2-NH2 2.64Å; E687-R690 PolarHBondContact OE2-NH2 2.97Å; R690-L693 PolarHBondContact O-N 3.46Å; R690-Q694 VanDerWaalsContact O-CB 3.24Å; R690-Q694 WeakPolarHBondContact O-CB 3.31Å; R690-Q694 PolarHBondContact O-N 2.89Å |
| 691 | N | 81 | Confident | 74.4 | Confident | 73 Ų | 73 | 99 Ų | 99 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 176.7 | -72.5 | -27.8 | 0 | 0 | 0 | 111.7 | E687 L688 I689 Q694 L695 | E687-N691 VanDerWaalsContact O-CB 3.23Å; E687-N691 WeakPolarHBondContact O-CB 3.17Å; E687-N691 PolarHBondContact O-N 3.46Å; E687-N691 PolarHBondContact O-ND2 3.37Å; E687-N691 VanDerWaalsContact O-ND2 3.1Å; L688-N691 PolarHBondContact O-N 3.41Å; I689-N691 PolarHBondContact O-N 3.09Å; N691-Q694 WeakPolarHBondContact O-CB 3.37Å; N691-Q694 PolarHBondContact O-N 2.94Å; N691-L695 WeakPolarHBondContact O-CB 3.45Å; N691-L695 WeakPolarHBondContact O-CG 3.35Å; N691-L695 PolarHBondContact O-N 3.2Å |
| 692 | R | 87.4 | Confident | 77.2 | Confident | 130 Ų | 130 | 96.5 Ų | 96.5 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | 176.4 | -176 | 55.6 | 174.2 | 158.4 | 2.5 | 112 | L688 I689 Q694 L695 L696 E699 | L688-R692 WeakPolarHBondContact O-CB 3.36Å; L688-R692 PolarHBondContact O-N 3.5Å; I689-R692 PolarHBondContact O-N 3.3Å; R692-Q694 VanDerWaalsContact C-N 3.32Å; R692-L695 PolarHBondContact O-N 2.74Å; R692-L696 HydrophobicContact CG-CD1 4.4Å; R692-L696 WeakPolarHBondContact O-CG 3.44Å; R692-L696 PolarHBondContact O-N 3.5Å; R692-E699 IonicContact NH1-OE1 3.81Å |
| 693 | L | 83.5 | Confident | 79.4 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 170.7 | -81.6 | 168.8 | 0 | 0 | 0 | 110.4 | I689 R690 L695 L696 E697 | I689-L693 HydrophobicContact CG2-CD1 3.98Å; I689-L693 HydrophobicContact CG2-CG 4.44Å; I689-L693 WeakPolarHBondContact O-CB 3.49Å; I689-L693 WeakPolarHBondContact O-CG 3.21Å; I689-L693 PolarHBondContact O-N 3.2Å; R690-L693 PolarHBondContact O-N 3.46Å; L693-L695 VanDerWaalsContact C-N 3.33Å; L693-L695 PolarHBondContact O-N 3.04Å; L693-L696 PolarHBondContact O-N 2.92Å; L693-E697 WeakPolarHBondContact O-CB 3.27Å; L693-E697 PolarHBondContact O-N 3.37Å |
| 694 | Q | 88.9 | Confident | 81.4 | Confident | 84 Ų | 84 | 94.8 Ų | 94.8 | 39% | 0.393 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.6 | -171.2 | 68.5 | 53.2 | 0 | 0 | 111.8 | R690 N691 R692 E697 N698 | R690-Q694 VanDerWaalsContact O-CB 3.24Å; R690-Q694 WeakPolarHBondContact O-CB 3.31Å; R690-Q694 PolarHBondContact O-N 2.89Å; N691-Q694 WeakPolarHBondContact O-CB 3.37Å; N691-Q694 PolarHBondContact O-N 2.94Å; R692-Q694 VanDerWaalsContact C-N 3.32Å; Q694-E697 PolarHBondContact O-N 3.19Å; Q694-N698 PolarHBondContact NE2-OD1 3.39Å; Q694-N698 VanDerWaalsContact NE2-OD1 3.11Å; Q694-N698 WeakPolarHBondContact O-CB 3.36Å; Q694-N698 PolarHBondContact O-N 3.28Å; Q694-N698 PolarHBondContact O-ND2 3.42Å; Q694-N698 PolarHBondContact O-OD1 2.97Å |
| 695 | L | 87.1 | Confident | 82.9 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.9 | -82.9 | 162.4 | 0 | 0 | 0 | 111.8 | N691 R692 L693 E697 N698 E699 | N691-L695 WeakPolarHBondContact O-CB 3.45Å; N691-L695 WeakPolarHBondContact O-CG 3.35Å; N691-L695 PolarHBondContact O-N 3.2Å; R692-L695 PolarHBondContact O-N 2.74Å; L693-L695 VanDerWaalsContact C-N 3.33Å; L693-L695 PolarHBondContact O-N 3.04Å; L695-E697 VanDerWaalsContact C-N 3.32Å; L695-E697 PolarHBondContact O-N 2.92Å; L695-N698 WeakPolarHBondContact O-CB 3.32Å; L695-N698 PolarHBondContact O-N 2.98Å; L695-E699 WeakPolarHBondContact O-CB 3.33Å; L695-E699 WeakPolarHBondContact O-CG 3.28Å; L695-E699 PolarHBondContact O-N 3.12Å |
| 696 | L | 89 | Confident | 84.6 | Confident | 67 Ų | 67 | 95.2 Ų | 95.2 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 176.8 | -72.7 | 171.8 | 0 | 0 | 0 | 111.6 | R692 L693 E699 I700 | R692-L696 HydrophobicContact CG-CD1 4.4Å; R692-L696 WeakPolarHBondContact O-CG 3.44Å; R692-L696 PolarHBondContact O-N 3.5Å; L693-L696 PolarHBondContact O-N 2.92Å; L696-E699 PolarHBondContact O-N 3.34Å; L696-I700 WeakPolarHBondContact O-CB 3.49Å; L696-I700 WeakPolarHBondContact O-CD1 3.29Å; L696-I700 WeakPolarHBondContact O-CG1 3.29Å; L696-I700 PolarHBondContact O-N 2.95Å |
| 697 | E | 89.8 | Confident | 86.1 | Confident | 109 Ų | 109 | 96.7 Ų | 96.7 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 175.1 | -169.4 | 152.1 | -147.9 | 0 | 0 | 110.9 | L693 Q694 L695 I700 N701 | L693-E697 WeakPolarHBondContact O-CB 3.27Å; L693-E697 PolarHBondContact O-N 3.37Å; Q694-E697 PolarHBondContact O-N 3.19Å; L695-E697 VanDerWaalsContact C-N 3.32Å; L695-E697 PolarHBondContact O-N 2.92Å; E697-I700 PolarHBondContact O-N 2.7Å; E697-N701 WeakPolarHBondContact O-CB 3.43Å; E697-N701 PolarHBondContact O-N 3.47Å; E697-N701 PolarHBondContact O-ND2 2.89Å |
| 698 | N | 87.1 | Confident | 87.3 | Confident | 75 Ų | 75 | 99.8 Ų | 99.8 | 40% | 0.401 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 172.3 | -64.9 | -12 | 0 | 0 | 0 | 111.9 | Q694 L695 I700 N701 E702 | Q694-N698 PolarHBondContact NE2-OD1 3.39Å; Q694-N698 VanDerWaalsContact NE2-OD1 3.11Å; Q694-N698 WeakPolarHBondContact O-CB 3.36Å; Q694-N698 PolarHBondContact O-N 3.28Å; Q694-N698 PolarHBondContact O-ND2 3.42Å; Q694-N698 PolarHBondContact O-OD1 2.97Å; L695-N698 WeakPolarHBondContact O-CB 3.32Å; L695-N698 PolarHBondContact O-N 2.98Å; N698-I700 VanDerWaalsContact C-N 3.35Å; N698-I700 PolarHBondContact O-N 2.87Å; N698-N701 WeakPolarHBondContact O-CB 3.44Å; N698-N701 PolarHBondContact O-N 3.29Å; N698-E702 WeakPolarHBondContact O-CB 3.36Å; N698-E702 PolarHBondContact O-N 3Å |
| 699 | E | 90.4 | Very high | 88.1 | Confident | 87 Ų | 87 | 100.3 Ų | 100.3 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.4 | -75 | 171.2 | -166 | 0 | 0 | 111.4 | R692 L695 L696 E702 C703 | R692-E699 IonicContact NH1-OE1 3.81Å; L695-E699 WeakPolarHBondContact O-CB 3.33Å; L695-E699 WeakPolarHBondContact O-CG 3.28Å; L695-E699 PolarHBondContact O-N 3.12Å; L696-E699 PolarHBondContact O-N 3.34Å; E699-E702 PolarHBondContact O-N 3.4Å; E699-C703 WeakPolarHBondContact O-CB 3.23Å; E699-C703 PolarHBondContact O-N 3.02Å; E699-C703 PolarHBondContact O-SG 3.28Å |
| 700 | I | 90.7 | Very high | 88.9 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 173.9 | -72.2 | 164.1 | 0 | 0 | 0 | 110.4 | L696 E697 N698 E702 C703 Q704 | L696-I700 WeakPolarHBondContact O-CB 3.49Å; L696-I700 WeakPolarHBondContact O-CD1 3.29Å; L696-I700 WeakPolarHBondContact O-CG1 3.29Å; L696-I700 PolarHBondContact O-N 2.95Å; E697-I700 PolarHBondContact O-N 2.7Å; N698-I700 VanDerWaalsContact C-N 3.35Å; N698-I700 PolarHBondContact O-N 2.87Å; I700-E702 VanDerWaalsContact C-N 3.32Å; I700-E702 PolarHBondContact O-N 3.14Å; I700-C703 PolarHBondContact O-N 3.38Å; I700-Q704 HydrophobicContact CG2-CG 4.49Å; I700-Q704 WeakPolarHBondContact O-CB 3.45Å; I700-Q704 WeakPolarHBondContact O-CG 3.4Å; I700-Q704 PolarHBondContact O-N 2.89Å |
| 701 | N | 90.8 | Very high | 89.6 | Confident | 67 Ų | 67 | 100.3 Ų | 100.3 | 36% | 0.358 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 177.1 | -69.4 | -27.2 | 0 | 0 | 0 | 111.2 | E697 N698 Q704 Q705 | E697-N701 WeakPolarHBondContact O-CB 3.43Å; E697-N701 PolarHBondContact O-N 3.47Å; E697-N701 PolarHBondContact O-ND2 2.89Å; N698-N701 WeakPolarHBondContact O-CB 3.44Å; N698-N701 PolarHBondContact O-N 3.29Å; N701-Q704 PolarHBondContact O-N 3.06Å; N701-Q705 WeakPolarHBondContact O-CG 3.37Å; N701-Q705 PolarHBondContact O-N 3.29Å |
| 702 | E | 91.2 | Very high | 90.3 | Very high | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.1 | -44.3 | 175 | -172.5 | 176.3 | -172.8 | 0 | 0 | 111.6 | N698 E699 I700 Q704 Q705 L706 | N698-E702 WeakPolarHBondContact O-CB 3.36Å; N698-E702 PolarHBondContact O-N 3Å; E699-E702 PolarHBondContact O-N 3.4Å; I700-E702 VanDerWaalsContact C-N 3.32Å; I700-E702 PolarHBondContact O-N 3.14Å; E702-Q704 VanDerWaalsContact C-N 3.31Å; E702-Q704 PolarHBondContact O-N 2.88Å; E702-Q705 PolarHBondContact O-N 3.29Å; E702-L706 HydrophobicContact CG-CD1 4.48Å; E702-L706 WeakPolarHBondContact O-CG 3.33Å; E702-L706 PolarHBondContact O-N 3.48Å |
| 703 | C | 87.2 | Confident | 90.6 | Very high | 79 Ų | 79 | 99 Ų | 99 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 174 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | E699 I700 L706 Q707 | E699-C703 WeakPolarHBondContact O-CB 3.23Å; E699-C703 PolarHBondContact O-N 3.02Å; E699-C703 PolarHBondContact O-SG 3.28Å; I700-C703 PolarHBondContact O-N 3.38Å; C703-L706 PolarHBondContact O-N 2.95Å; C703-Q707 VanDerWaalsContact O-CB 3.31Å; C703-Q707 WeakPolarHBondContact O-CB 3.49Å; C703-Q707 PolarHBondContact O-N 3.01Å |
| 704 | Q | 90.2 | Very high | 91.1 | Very high | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 175.5 | -75.6 | 178.4 | 2.2 | 0 | 0 | 111.8 | I700 N701 E702 Q707 Q708 | I700-Q704 HydrophobicContact CG2-CG 4.49Å; I700-Q704 WeakPolarHBondContact O-CB 3.45Å; I700-Q704 WeakPolarHBondContact O-CG 3.4Å; I700-Q704 PolarHBondContact O-N 2.89Å; N701-Q704 PolarHBondContact O-N 3.06Å; E702-Q704 VanDerWaalsContact C-N 3.31Å; E702-Q704 PolarHBondContact O-N 2.88Å; Q704-Q707 PolarHBondContact O-N 2.94Å; Q704-Q708 VanDerWaalsContact O-CG 3.31Å; Q704-Q708 WeakPolarHBondContact O-CG 3.26Å; Q704-Q708 PolarHBondContact O-N 3.05Å |
| 705 | Q | 91.4 | Very high | 91.3 | Very high | 129 Ų | 129 | 95.7 Ų | 95.7 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 174.8 | -74.7 | 177.6 | 10.8 | 0 | 0 | 111.7 | N701 E702 Q707 Q708 H709 | N701-Q705 WeakPolarHBondContact O-CG 3.37Å; N701-Q705 PolarHBondContact O-N 3.29Å; E702-Q705 PolarHBondContact O-N 3.29Å; Q705-Q707 VanDerWaalsContact C-N 3.28Å; Q705-Q707 PolarHBondContact O-N 3.5Å; Q705-Q708 PolarHBondContact O-N 3.31Å; Q705-H709 WeakPolarHBondContact O-CB 3.31Å; Q705-H709 PolarHBondContact O-N 2.99Å |
| 706 | L | 92 | Very high | 91.7 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.4 | -37.6 | 176 | -72.4 | 174.4 | 0 | 0 | 0 | 111.9 | E702 C703 H709 R710 | E702-L706 HydrophobicContact CG-CD1 4.48Å; E702-L706 WeakPolarHBondContact O-CG 3.33Å; E702-L706 PolarHBondContact O-N 3.48Å; C703-L706 PolarHBondContact O-N 2.95Å; L706-H709 PolarHBondContact O-N 3.24Å; L706-R710 WeakPolarHBondContact O-CB 3.5Å; L706-R710 PolarHBondContact O-N 3.45Å |
| 707 | Q | 91.6 | Very high | 91.9 | Very high | 111 Ų | 111 | 97.6 Ų | 97.6 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 176.1 | -169.9 | 163.3 | -29.7 | 0 | 0 | 111.8 | C703 Q704 Q705 H709 R710 D711 | C703-Q707 VanDerWaalsContact O-CB 3.31Å; C703-Q707 WeakPolarHBondContact O-CB 3.49Å; C703-Q707 PolarHBondContact O-N 3.01Å; Q704-Q707 PolarHBondContact O-N 2.94Å; Q705-Q707 VanDerWaalsContact C-N 3.28Å; Q705-Q707 PolarHBondContact O-N 3.5Å; Q707-H709 VanDerWaalsContact C-N 3.32Å; Q707-H709 PolarHBondContact O-N 3.01Å; Q707-R710 PolarHBondContact O-N 3.34Å; Q707-D711 WeakPolarHBondContact O-CB 3.4Å; Q707-D711 PolarHBondContact O-N 3Å |
| 708 | Q | 93.1 | Very high | 92.1 | Very high | 128 Ų | 128 | 97 Ų | 97 | 60% | 0.598 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.8 | -44.5 | 171.1 | -73.6 | 174.5 | 3.4 | 0 | 0 | 111.4 | Q704 Q705 R710 D711 V712 | Q704-Q708 VanDerWaalsContact O-CG 3.31Å; Q704-Q708 WeakPolarHBondContact O-CG 3.26Å; Q704-Q708 PolarHBondContact O-N 3.05Å; Q705-Q708 PolarHBondContact O-N 3.31Å; Q708-R710 VanDerWaalsContact C-N 3.35Å; Q708-R710 PolarHBondContact O-N 3.29Å; Q708-D711 PolarHBondContact O-N 2.9Å; Q708-V712 VanDerWaalsContact O-CG2 3.31Å; Q708-V712 WeakPolarHBondContact O-CG2 3.36Å; Q708-V712 PolarHBondContact O-N 3.45Å |
| 709 | H | 92.5 | Very high | 92.5 | Very high | 121 Ų | 121 | 96.2 Ų | 96.2 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.4 | -38.6 | -180 | -147.5 | -52.7 | 0 | 0 | 0 | 112.1 | Q705 L706 Q707 L713 | Q705-H709 WeakPolarHBondContact O-CB 3.31Å; Q705-H709 PolarHBondContact O-N 2.99Å; L706-H709 PolarHBondContact O-N 3.24Å; Q707-H709 VanDerWaalsContact C-N 3.32Å; Q707-H709 PolarHBondContact O-N 3.01Å; H709-L713 WeakPolarHBondContact O-CB 3.48Å; H709-L713 VanDerWaalsContact O-CG 3.25Å; H709-L713 WeakPolarHBondContact O-CG 3.43Å; H709-L713 PolarHBondContact O-N 3.44Å |
| 710 | R | 93 | Very high | 92.7 | Very high | 149 Ų | 149 | 96.2 Ų | 96.2 | 56% | 0.562 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -42.9 | 173.2 | -174.7 | -157.3 | 69.9 | 177.8 | -0.7 | 111.3 | L706 Q707 Q708 V712 L713 A714 | L706-R710 WeakPolarHBondContact O-CB 3.5Å; L706-R710 PolarHBondContact O-N 3.45Å; Q707-R710 PolarHBondContact O-N 3.34Å; Q708-R710 VanDerWaalsContact C-N 3.35Å; Q708-R710 PolarHBondContact O-N 3.29Å; R710-V712 VanDerWaalsContact C-N 3.34Å; R710-L713 PolarHBondContact O-N 3.26Å; R710-A714 WeakPolarHBondContact O-CB 3.44Å; R710-A714 PolarHBondContact O-N 3.02Å |
| 711 | D | 93.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 94 Ų | 94 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | -179.6 | -65.9 | -13.9 | 0 | 0 | 0 | 110.8 | Q707 Q708 A714 T715 | Q707-D711 WeakPolarHBondContact O-CB 3.4Å; Q707-D711 PolarHBondContact O-N 3Å; Q708-D711 PolarHBondContact O-N 2.9Å; D711-A714 PolarHBondContact O-N 3.47Å; D711-T715 WeakPolarHBondContact O-CG2 3.38Å; D711-T715 PolarHBondContact O-N 2.91Å; D711-T715 PolarHBondContact O-OG1 3.49Å |
| 712 | V | 95.4 | Very high | 93 | Very high | 74 Ų | 74 | 96.4 Ų | 96.4 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 170.8 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | Q708 R710 A714 T715 D716 | Q708-V712 VanDerWaalsContact O-CG2 3.31Å; Q708-V712 WeakPolarHBondContact O-CG2 3.36Å; Q708-V712 PolarHBondContact O-N 3.45Å; R710-V712 VanDerWaalsContact C-N 3.34Å; V712-A714 VanDerWaalsContact C-N 3.27Å; V712-A714 PolarHBondContact O-N 3.2Å; V712-T715 WeakPolarHBondContact CA-OG1 3.45Å; V712-T715 PolarHBondContact O-N 2.94Å; V712-T715 VanDerWaalsContact O-N 3.17Å; V712-T715 PolarHBondContact O-OG1 3.33Å; V712-D716 PolarHBondContact O-N 3.07Å |
| 713 | L | 94.1 | Very high | 93.2 | Very high | 103 Ų | 103 | 96.8 Ų | 96.8 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 177.1 | -71.3 | 171.4 | 0 | 0 | 0 | 112.3 | H709 R710 D716 L717 | H709-L713 WeakPolarHBondContact O-CB 3.48Å; H709-L713 VanDerWaalsContact O-CG 3.25Å; H709-L713 WeakPolarHBondContact O-CG 3.43Å; H709-L713 PolarHBondContact O-N 3.44Å; R710-L713 PolarHBondContact O-N 3.26Å; L713-D716 PolarHBondContact O-N 3.19Å; L713-L717 WeakPolarHBondContact O-CB 3.26Å; L713-L717 PolarHBondContact O-N 2.92Å |
| 714 | A | 94.2 | Very high | 93.5 | Very high | 45 Ų | 45 | 97.3 Ų | 97.3 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R710 D711 V712 L717 I718 | R710-A714 WeakPolarHBondContact O-CB 3.44Å; R710-A714 PolarHBondContact O-N 3.02Å; D711-A714 PolarHBondContact O-N 3.47Å; V712-A714 VanDerWaalsContact C-N 3.27Å; V712-A714 PolarHBondContact O-N 3.2Å; A714-L717 PolarHBondContact O-N 2.95Å; A714-I718 VanDerWaalsContact O-CG1 3.29Å; A714-I718 WeakPolarHBondContact O-CG1 3.35Å; A714-I718 PolarHBondContact O-N 3.4Å; A714-I718 VanDerWaalsContact O-N 3.08Å |
| 715 | T | 93.2 | Very high | 93.7 | Very high | 77 Ų | 77 | 97.2 Ų | 97.2 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 173.1 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | D711 V712 L717 I718 T719 | D711-T715 WeakPolarHBondContact O-CG2 3.38Å; D711-T715 PolarHBondContact O-N 2.91Å; D711-T715 PolarHBondContact O-OG1 3.49Å; V712-T715 WeakPolarHBondContact CA-OG1 3.45Å; V712-T715 PolarHBondContact O-N 2.94Å; V712-T715 VanDerWaalsContact O-N 3.17Å; V712-T715 PolarHBondContact O-OG1 3.33Å; T715-L717 VanDerWaalsContact C-N 3.34Å; T715-L717 PolarHBondContact O-N 2.91Å; T715-I718 WeakPolarHBondContact O-CB 3.27Å; T715-I718 PolarHBondContact O-N 3.42Å; T715-T719 WeakPolarHBondContact O-CG2 3.29Å; T715-T719 PolarHBondContact O-N 2.95Å; T715-T719 PolarHBondContact O-OG1 3.41Å |
| 716 | D | 94.9 | Very high | 93.9 | Very high | 79 Ų | 79 | 94.5 Ų | 94.5 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 177.7 | -66.3 | -13.5 | 0 | 0 | 0 | 111.7 | V712 L713 I718 T719 V720 | V712-D716 PolarHBondContact O-N 3.07Å; L713-D716 PolarHBondContact O-N 3.19Å; D716-I718 VanDerWaalsContact C-N 3.31Å; D716-I718 PolarHBondContact O-N 3.32Å; D716-T719 VanDerWaalsContact CA-OG1 3.3Å; D716-T719 WeakPolarHBondContact CA-OG1 3.3Å; D716-T719 PolarHBondContact O-N 2.94Å; D716-T719 PolarHBondContact O-OG1 3.39Å; D716-V720 WeakPolarHBondContact O-CB 3.45Å; D716-V720 VanDerWaalsContact O-CG2 3.23Å; D716-V720 WeakPolarHBondContact O-CG2 3.35Å; D716-V720 PolarHBondContact O-N 3.21Å |
| 717 | L | 93.8 | Very high | 94 | Very high | 118 Ų | 118 | 93.1 Ų | 93.1 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.6 | -38.2 | 174.5 | -170.2 | 73.3 | 0 | 0 | 0 | 111.5 | L713 A714 T715 S721 | L713-L717 WeakPolarHBondContact O-CB 3.26Å; L713-L717 PolarHBondContact O-N 2.92Å; A714-L717 PolarHBondContact O-N 2.95Å; T715-L717 VanDerWaalsContact C-N 3.34Å; T715-L717 PolarHBondContact O-N 2.91Å; L717-S721 WeakPolarHBondContact O-CB 3.41Å; L717-S721 PolarHBondContact O-N 3.49Å; L717-S721 PolarHBondContact O-OG 3.39Å |
| 718 | I | 95 | Very high | 94.1 | Very high | 96 Ų | 96 | 93.6 Ų | 93.6 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 176.1 | -69.1 | 164.9 | 0 | 0 | 0 | 110.4 | A714 T715 D716 S721 Q722 | A714-I718 VanDerWaalsContact O-CG1 3.29Å; A714-I718 WeakPolarHBondContact O-CG1 3.35Å; A714-I718 PolarHBondContact O-N 3.4Å; A714-I718 VanDerWaalsContact O-N 3.08Å; T715-I718 WeakPolarHBondContact O-CB 3.27Å; T715-I718 PolarHBondContact O-N 3.42Å; D716-I718 VanDerWaalsContact C-N 3.31Å; D716-I718 PolarHBondContact O-N 3.32Å; I718-S721 PolarHBondContact O-N 3.3Å; I718-Q722 HydrophobicContact CG2-CG 4.4Å; I718-Q722 WeakPolarHBondContact O-CB 3.31Å; I718-Q722 VanDerWaalsContact O-CG 3.3Å; I718-Q722 WeakPolarHBondContact O-CG 3.5Å; I718-Q722 PolarHBondContact O-N 3.45Å |
| 719 | T | 94.9 | Very high | 94.2 | Very high | 60 Ų | 60 | 90.4 Ų | 90.4 | 37% | 0.368 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 178.9 | 54.7 | 0 | 0 | 0 | 0 | 111 | T715 D716 S721 Q722 E723 | T715-T719 WeakPolarHBondContact O-CG2 3.29Å; T715-T719 PolarHBondContact O-N 2.95Å; T715-T719 PolarHBondContact O-OG1 3.41Å; D716-T719 VanDerWaalsContact CA-OG1 3.3Å; D716-T719 WeakPolarHBondContact CA-OG1 3.3Å; D716-T719 PolarHBondContact O-N 2.94Å; D716-T719 PolarHBondContact O-OG1 3.39Å; T719-S721 VanDerWaalsContact C-N 3.27Å; T719-S721 PolarHBondContact O-N 3.39Å; T719-Q722 WeakPolarHBondContact O-CB 3.43Å; T719-Q722 PolarHBondContact O-N 3.36Å; T719-Q722 VanDerWaalsContact O-N 3.09Å; T719-E723 WeakPolarHBondContact O-CG 3.38Å; T719-E723 PolarHBondContact O-N 2.87Å |
| 720 | V | 93.5 | Very high | 94.3 | Very high | 86 Ų | 86 | 93.1 Ų | 93.1 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60 | -37.6 | 174.8 | 172 | 0 | 0 | 0 | 0 | 111.3 | D716 E723 L724 | D716-V720 WeakPolarHBondContact O-CB 3.45Å; D716-V720 VanDerWaalsContact O-CG2 3.23Å; D716-V720 WeakPolarHBondContact O-CG2 3.35Å; D716-V720 PolarHBondContact O-N 3.21Å; V720-E723 PolarHBondContact O-N 3.03Å; V720-L724 VanDerWaalsContact O-CB 3.25Å; V720-L724 WeakPolarHBondContact O-CB 3.22Å; V720-L724 PolarHBondContact O-N 2.96Å |
| 721 | S | 94.2 | Very high | 94.4 | Very high | 50 Ų | 50 | 90.9 Ų | 90.9 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | L717 I718 T719 L724 N725 | L717-S721 WeakPolarHBondContact O-CB 3.41Å; L717-S721 PolarHBondContact O-N 3.49Å; L717-S721 PolarHBondContact O-OG 3.39Å; I718-S721 PolarHBondContact O-N 3.3Å; T719-S721 VanDerWaalsContact C-N 3.27Å; T719-S721 PolarHBondContact O-N 3.39Å; S721-L724 PolarHBondContact O-N 2.9Å; S721-N725 WeakPolarHBondContact O-CB 3.49Å; S721-N725 VanDerWaalsContact O-CG 3.23Å; S721-N725 PolarHBondContact O-N 2.93Å; S721-N725 PolarHBondContact O-ND2 3.39Å; S721-N725 VanDerWaalsContact O-ND2 3.16Å |
| 722 | Q | 94.7 | Very high | 94.4 | Very high | 117 Ų | 117 | 90.2 Ų | 90.2 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 174.7 | -74.5 | 173.9 | -4 | 0 | 0 | 111.5 | I718 T719 N725 S726 | I718-Q722 HydrophobicContact CG2-CG 4.4Å; I718-Q722 WeakPolarHBondContact O-CB 3.31Å; I718-Q722 VanDerWaalsContact O-CG 3.3Å; I718-Q722 WeakPolarHBondContact O-CG 3.5Å; I718-Q722 PolarHBondContact O-N 3.45Å; T719-Q722 WeakPolarHBondContact O-CB 3.43Å; T719-Q722 PolarHBondContact O-N 3.36Å; T719-Q722 VanDerWaalsContact O-N 3.09Å; Q722-N725 PolarHBondContact O-N 2.98Å; Q722-S726 WeakPolarHBondContact O-CB 3.35Å; Q722-S726 PolarHBondContact O-N 3.28Å; Q722-S726 PolarHBondContact O-OG 3.44Å |
| 723 | E | 95.8 | Very high | 94.4 | Very high | 125 Ų | 125 | 92.1 Ų | 92.1 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 173.8 | -72.4 | 179.1 | -179.7 | 0 | 0 | 111.4 | T719 V720 N725 S726 C727 | T719-E723 WeakPolarHBondContact O-CG 3.38Å; T719-E723 PolarHBondContact O-N 2.87Å; V720-E723 PolarHBondContact O-N 3.03Å; E723-N725 VanDerWaalsContact C-N 3.33Å; E723-N725 PolarHBondContact O-N 3.44Å; E723-S726 CarbonylContact O-C 3.53Å; E723-S726 WeakPolarHBondContact O-CB 3.41Å; E723-S726 PolarHBondContact O-N 3.04Å; E723-S726 VanDerWaalsContact O-N 3.16Å; E723-C727 WeakPolarHBondContact O-CB 3.39Å; E723-C727 PolarHBondContact O-N 3.36Å; E723-C727 PolarHBondContact O-SG 3.46Å |
| 724 | L | 93.7 | Very high | 94.4 | Very high | 91 Ų | 91 | 90.8 Ų | 90.8 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.5 | -177.9 | 65.9 | 0 | 0 | 0 | 111.6 | V720 S721 C727 K728 | V720-L724 VanDerWaalsContact O-CB 3.25Å; V720-L724 WeakPolarHBondContact O-CB 3.22Å; V720-L724 PolarHBondContact O-N 2.96Å; S721-L724 PolarHBondContact O-N 2.9Å; L724-C727 PolarHBondContact O-N 2.92Å; L724-K728 WeakPolarHBondContact O-CB 3.47Å; L724-K728 VanDerWaalsContact O-CG 3.31Å; L724-K728 WeakPolarHBondContact O-CG 3.29Å; L724-K728 PolarHBondContact O-N 3.39Å |
| 725 | N | 94.2 | Very high | 94.4 | Very high | 101 Ų | 101 | 94.4 Ų | 94.4 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 175.5 | -70.8 | -28 | 0 | 0 | 0 | 111.9 | S721 Q722 E723 K728 S729 | S721-N725 WeakPolarHBondContact O-CB 3.49Å; S721-N725 VanDerWaalsContact O-CG 3.23Å; S721-N725 PolarHBondContact O-N 2.93Å; S721-N725 PolarHBondContact O-ND2 3.39Å; S721-N725 VanDerWaalsContact O-ND2 3.16Å; Q722-N725 PolarHBondContact O-N 2.98Å; E723-N725 VanDerWaalsContact C-N 3.33Å; E723-N725 PolarHBondContact O-N 3.44Å; N725-K728 PolarHBondContact O-N 3.49Å; N725-S729 PolarHBondContact O-N 2.99Å |
| 726 | S | 94.9 | Very high | 94.5 | Very high | 71 Ų | 71 | 92 Ų | 92 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 175 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | Q722 E723 S729 R730 | Q722-S726 WeakPolarHBondContact O-CB 3.35Å; Q722-S726 PolarHBondContact O-N 3.28Å; Q722-S726 PolarHBondContact O-OG 3.44Å; E723-S726 CarbonylContact O-C 3.53Å; E723-S726 WeakPolarHBondContact O-CB 3.41Å; E723-S726 PolarHBondContact O-N 3.04Å; E723-S726 VanDerWaalsContact O-N 3.16Å; S726-S729 PolarHBondContact O-N 3.49Å; S726-R730 WeakPolarHBondContact O-CB 3.48Å; S726-R730 WeakPolarHBondContact O-CG 3.35Å; S726-R730 PolarHBondContact O-N 3.46Å |
| 727 | C | 93.8 | Very high | 94.5 | Very high | 83 Ų | 83 | 93.6 Ų | 93.6 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 173.1 | -77.1 | 0 | 0 | 0 | 0 | 111.8 | E723 L724 R730 L731 | E723-C727 WeakPolarHBondContact O-CB 3.39Å; E723-C727 PolarHBondContact O-N 3.36Å; E723-C727 PolarHBondContact O-SG 3.46Å; L724-C727 PolarHBondContact O-N 2.92Å; C727-R730 PolarHBondContact O-N 3.45Å; C727-L731 WeakPolarHBondContact O-CB 3.48Å; C727-L731 PolarHBondContact O-N 2.9Å |
| 728 | K | 94.6 | Very high | 94.5 | Very high | 121 Ų | 121 | 93.9 Ų | 93.9 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 174.6 | -75.8 | 175.7 | -179.8 | 178.9 | 0 | 112.6 | L724 N725 L731 A732 | L724-K728 WeakPolarHBondContact O-CB 3.47Å; L724-K728 VanDerWaalsContact O-CG 3.31Å; L724-K728 WeakPolarHBondContact O-CG 3.29Å; L724-K728 PolarHBondContact O-N 3.39Å; N725-K728 PolarHBondContact O-N 3.49Å; K728-L731 PolarHBondContact O-N 3.01Å; K728-A732 PolarHBondContact O-N 2.67Å |
| 729 | S | 93.7 | Very high | 94.5 | Very high | 62 Ų | 62 | 95.8 Ų | 95.8 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 174.2 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | N725 S726 L731 A732 E733 | N725-S729 PolarHBondContact O-N 2.99Å; S726-S729 PolarHBondContact O-N 3.49Å; S729-L731 VanDerWaalsContact C-N 3.3Å; S729-L731 PolarHBondContact O-N 3.16Å; S729-A732 PolarHBondContact O-N 3.32Å; S729-E733 WeakPolarHBondContact O-CG 3.48Å; S729-E733 PolarHBondContact O-N 2.93Å; S729-E733 PolarHBondContact OG-OE1 3.35Å |
| 730 | R | 95.5 | Very high | 94.5 | Very high | 177 Ų | 177 | 98.5 Ų | 98.5 | 67% | 0.668 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -37.6 | 176.5 | -73.3 | 179.1 | 65.6 | 162.8 | 2 | 112.4 | S726 C727 E733 C734 | S726-R730 WeakPolarHBondContact O-CB 3.48Å; S726-R730 WeakPolarHBondContact O-CG 3.35Å; S726-R730 PolarHBondContact O-N 3.46Å; C727-R730 PolarHBondContact O-N 3.45Å; R730-E733 PolarHBondContact O-N 3.1Å; R730-C734 WeakPolarHBondContact O-CB 3.49Å; R730-C734 PolarHBondContact O-N 3.41Å; R730-C734 PolarHBondContact O-SG 3.46Å |
| 731 | L | 94.8 | Very high | 94.5 | Very high | 103 Ų | 103 | 101.2 Ų | 101.2 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 175.5 | -174.6 | 67.6 | 0 | 0 | 0 | 111 | C727 K728 S729 E733 C734 E735 | C727-L731 WeakPolarHBondContact O-CB 3.48Å; C727-L731 PolarHBondContact O-N 2.9Å; K728-L731 PolarHBondContact O-N 3.01Å; S729-L731 VanDerWaalsContact C-N 3.3Å; S729-L731 PolarHBondContact O-N 3.16Å; L731-E733 VanDerWaalsContact C-N 3.32Å; L731-E733 PolarHBondContact O-N 2.89Å; L731-C734 WeakPolarHBondContact O-CB 3.35Å; L731-C734 PolarHBondContact O-N 2.97Å; L731-E735 WeakPolarHBondContact O-CG 3.47Å; L731-E735 PolarHBondContact O-N 3.23Å |
| 732 | A | 94.2 | Very high | 94.6 | Very high | 56 Ų | 56 | 103.7 Ų | 103.7 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K728 S729 E735 G736 | K728-A732 PolarHBondContact O-N 2.67Å; S729-A732 PolarHBondContact O-N 3.32Å; A732-E735 PolarHBondContact O-N 2.85Å; A732-G736 PolarHBondContact O-N 3.14Å |
| 733 | E | 95.5 | Very high | 94.6 | Very high | 113 Ų | 113 | 99.8 Ų | 99.8 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 172.2 | -73.6 | 167.1 | -144.4 | 0 | 0 | 111.6 | S729 R730 L731 G736 I737 | S729-E733 WeakPolarHBondContact O-CG 3.48Å; S729-E733 PolarHBondContact O-N 2.93Å; S729-E733 PolarHBondContact OG-OE1 3.35Å; R730-E733 PolarHBondContact O-N 3.1Å; L731-E733 VanDerWaalsContact C-N 3.32Å; L731-E733 PolarHBondContact O-N 2.89Å; E733-G736 PolarHBondContact O-N 3.36Å; E733-I737 WeakPolarHBondContact O-CB 3.41Å; E733-I737 VanDerWaalsContact O-CG1 3.27Å; E733-I737 WeakPolarHBondContact O-CG1 3.33Å; E733-I737 PolarHBondContact O-N 3.4Å |
| 734 | C | 93.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 98.3 Ų | 98.3 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.8 | -75 | 0 | 0 | 0 | 0 | 112 | R730 L731 I737 Q738 | R730-C734 WeakPolarHBondContact O-CB 3.49Å; R730-C734 PolarHBondContact O-N 3.41Å; R730-C734 PolarHBondContact O-SG 3.46Å; L731-C734 WeakPolarHBondContact O-CB 3.35Å; L731-C734 PolarHBondContact O-N 2.97Å; C734-I737 PolarHBondContact O-N 2.88Å; C734-Q738 WeakPolarHBondContact O-CB 3.42Å; C734-Q738 PolarHBondContact O-N 2.99Å |
| 735 | E | 95 | Very high | 94.6 | Very high | 121 Ų | 121 | 98.2 Ų | 98.2 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -45.6 | 175.3 | -73.6 | 172.8 | 170.1 | 0 | 0 | 111.2 | L731 A732 I737 Q738 E739 | L731-E735 WeakPolarHBondContact O-CG 3.47Å; L731-E735 PolarHBondContact O-N 3.23Å; A732-E735 PolarHBondContact O-N 2.85Å; E735-I737 PolarHBondContact O-N 2.89Å; E735-Q738 PolarHBondContact O-N 2.85Å; E735-E739 PolarHBondContact O-N 2.92Å |
| 736 | G | 94.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 99.8 Ų | 99.8 | 27% | 0.268 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A732 E733 Q738 N740 | A732-G736 PolarHBondContact O-N 3.14Å; E733-G736 PolarHBondContact O-N 3.36Å; G736-Q738 VanDerWaalsContact C-N 3.34Å; G736-N740 WeakPolarHBondContact O-CB 3.49Å; G736-N740 VanDerWaalsContact O-CG 3.28Å; G736-N740 PolarHBondContact O-N 3.34Å; G736-N740 PolarHBondContact O-ND2 3.43Å |
| 737 | I | 94.5 | Very high | 94.7 | Very high | 113 Ų | 113 | 102.3 Ų | 102.3 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 172.9 | -70.3 | 165.6 | 0 | 0 | 0 | 110.5 | E733 C734 E735 N740 Y741 | E733-I737 WeakPolarHBondContact O-CB 3.41Å; E733-I737 VanDerWaalsContact O-CG1 3.27Å; E733-I737 WeakPolarHBondContact O-CG1 3.33Å; E733-I737 PolarHBondContact O-N 3.4Å; C734-I737 PolarHBondContact O-N 2.88Å; E735-I737 PolarHBondContact O-N 2.89Å; I737-N740 PolarHBondContact O-N 3.31Å; I737-Y741 WeakPolarHBondContact O-CB 3.44Å; I737-Y741 PolarHBondContact O-N 3.46Å |
| 738 | Q | 94.8 | Very high | 94.7 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 179 | -171 | 167.1 | -46.2 | 0 | 0 | 112 | C734 E735 G736 Y741 Q742 | C734-Q738 WeakPolarHBondContact O-CB 3.42Å; C734-Q738 PolarHBondContact O-N 2.99Å; E735-Q738 PolarHBondContact O-N 2.85Å; G736-Q738 VanDerWaalsContact C-N 3.34Å; Q738-Y741 PolarHBondContact O-N 3.21Å; Q738-Q742 WeakPolarHBondContact O-CG 3.3Å; Q738-Q742 PolarHBondContact O-N 3.28Å |
| 739 | E | 94.7 | Very high | 94.6 | Very high | 137 Ų | 137 | 104 Ų | 104 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 172.9 | -172.4 | 179.3 | -173 | 0 | 0 | 111.6 | E735 Y741 Q742 S743 | E735-E739 PolarHBondContact O-N 2.92Å; E739-Y741 VanDerWaalsContact C-N 3.33Å; E739-Y741 PolarHBondContact O-N 2.9Å; E739-Q742 PolarHBondContact O-N 2.89Å; E739-S743 WeakPolarHBondContact O-CB 3.5Å; E739-S743 PolarHBondContact O-N 3.48Å |
| 740 | N | 94.9 | Very high | 94.7 | Very high | 116 Ų | 116 | 103.5 Ų | 103.5 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -39.1 | 174.8 | -77 | -37 | 0 | 0 | 0 | 112.4 | G736 I737 S743 L744 | G736-N740 WeakPolarHBondContact O-CB 3.49Å; G736-N740 VanDerWaalsContact O-CG 3.28Å; G736-N740 PolarHBondContact O-N 3.34Å; G736-N740 PolarHBondContact O-ND2 3.43Å; I737-N740 PolarHBondContact O-N 3.31Å; N740-S743 PolarHBondContact O-N 3.46Å; N740-L744 VanDerWaalsContact O-CB 3.26Å; N740-L744 WeakPolarHBondContact O-CB 3.48Å; N740-L744 PolarHBondContact O-N 3Å |
| 741 | Y | 94.3 | Very high | 94.7 | Very high | 144 Ų | 144 | 100.7 Ų | 100.7 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -45.8 | 176.1 | -175.4 | -88.7 | 0 | 0 | 0 | 110.9 | I737 Q738 E739 S743 L744 E745 | I737-Y741 WeakPolarHBondContact O-CB 3.44Å; I737-Y741 PolarHBondContact O-N 3.46Å; Q738-Y741 PolarHBondContact O-N 3.21Å; E739-Y741 VanDerWaalsContact C-N 3.33Å; E739-Y741 PolarHBondContact O-N 2.9Å; Y741-S743 PolarHBondContact O-N 3Å; Y741-L744 CarbonylContact O-C 3.59Å; Y741-L744 PolarHBondContact O-N 3.27Å; Y741-E745 WeakPolarHBondContact CE1-OE2 3.31Å; Y741-E745 VanDerWaalsContact O-CB 3.31Å; Y741-E745 WeakPolarHBondContact O-CB 3.47Å; Y741-E745 PolarHBondContact O-N 3.33Å |
| 742 | Q | 94.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 100.8 Ų | 100.8 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 174.7 | -73.3 | 175.9 | 0.3 | 0 | 0 | 111.6 | Q738 E739 L744 E745 E746 | Q738-Q742 WeakPolarHBondContact O-CG 3.3Å; Q738-Q742 PolarHBondContact O-N 3.28Å; E739-Q742 PolarHBondContact O-N 2.89Å; Q742-L744 VanDerWaalsContact C-N 3.3Å; Q742-L744 PolarHBondContact O-N 2.86Å; Q742-E745 PolarHBondContact O-N 3.41Å; Q742-E746 WeakPolarHBondContact O-CG 3.46Å; Q742-E746 PolarHBondContact O-N 2.89Å |
| 743 | S | 94.8 | Very high | 94.6 | Very high | 36 Ų | 36 | 104.1 Ų | 104.1 | 25% | 0.252 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -35.6 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | E739 N740 Y741 K747 | E739-S743 WeakPolarHBondContact O-CB 3.5Å; E739-S743 PolarHBondContact O-N 3.48Å; N740-S743 PolarHBondContact O-N 3.46Å; Y741-S743 PolarHBondContact O-N 3Å; S743-K747 WeakPolarHBondContact O-CB 3.41Å; S743-K747 WeakPolarHBondContact O-CD 3.36Å; S743-K747 WeakPolarHBondContact O-CG 3.48Å; S743-K747 PolarHBondContact O-N 2.92Å; S743-K747 VanDerWaalsContact O-N 3.09Å; S743-K747 PolarHBondContact OG-NZ 3.4Å |
| 744 | L | 94.9 | Very high | 94.5 | Very high | 93 Ų | 93 | 103.3 Ų | 103.3 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72 | -38.4 | 175.9 | -174.5 | 63.5 | 0 | 0 | 0 | 111.5 | N740 Y741 Q742 K747 H748 | N740-L744 VanDerWaalsContact O-CB 3.26Å; N740-L744 WeakPolarHBondContact O-CB 3.48Å; N740-L744 PolarHBondContact O-N 3Å; Y741-L744 CarbonylContact O-C 3.59Å; Y741-L744 PolarHBondContact O-N 3.27Å; Q742-L744 VanDerWaalsContact C-N 3.3Å; Q742-L744 PolarHBondContact O-N 2.86Å; L744-K747 PolarHBondContact O-N 3.23Å; L744-H748 VanDerWaalsContact O-CB 3.26Å; L744-H748 WeakPolarHBondContact O-CB 3.41Å; L744-H748 PolarHBondContact O-N 3.37Å |
| 745 | E | 95.8 | Very high | 94.5 | Very high | 90 Ų | 90 | 106.5 Ų | 106.5 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.3 | -173.3 | 160.4 | -149.1 | 0 | 0 | 110.5 | Y741 Q742 K747 H748 Q749 | Y741-E745 WeakPolarHBondContact CE1-OE2 3.31Å; Y741-E745 VanDerWaalsContact O-CB 3.31Å; Y741-E745 WeakPolarHBondContact O-CB 3.47Å; Y741-E745 PolarHBondContact O-N 3.33Å; Q742-E745 PolarHBondContact O-N 3.41Å; E745-K747 PolarHBondContact O-N 2.93Å; E745-H748 CarbonylContact O-C 3.59Å; E745-H748 PolarHBondContact O-N 2.84Å; E745-Q749 WeakPolarHBondContact O-CB 3.45Å; E745-Q749 PolarHBondContact O-N 3.27Å |
| 746 | E | 95.6 | Very high | 94.4 | Very high | 133 Ų | 133 | 101.5 Ų | 101.5 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.6 | -46.2 | 172.2 | -73.4 | 175.3 | 178.1 | 0 | 0 | 112.1 | Q742 H748 Q749 A750 | Q742-E746 WeakPolarHBondContact O-CG 3.46Å; Q742-E746 PolarHBondContact O-N 2.89Å; E746-H748 VanDerWaalsContact C-N 3.34Å; E746-Q749 PolarHBondContact O-N 2.84Å; E746-A750 WeakPolarHBondContact O-CB 3.38Å; E746-A750 PolarHBondContact O-N 3.11Å |
| 747 | K | 94.3 | Very high | 94.4 | Very high | 125 Ų | 125 | 104.5 Ų | 104.5 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.6 | -73.7 | 165.8 | -169.9 | 152.4 | 0 | 112 | S743 L744 E745 A750 L751 | S743-K747 WeakPolarHBondContact O-CB 3.41Å; S743-K747 WeakPolarHBondContact O-CD 3.36Å; S743-K747 WeakPolarHBondContact O-CG 3.48Å; S743-K747 PolarHBondContact O-N 2.92Å; S743-K747 VanDerWaalsContact O-N 3.09Å; S743-K747 PolarHBondContact OG-NZ 3.4Å; L744-K747 PolarHBondContact O-N 3.23Å; E745-K747 PolarHBondContact O-N 2.93Å; K747-A750 PolarHBondContact O-N 3.49Å; K747-L751 VanDerWaalsContact O-CB 3.28Å; K747-L751 WeakPolarHBondContact O-CB 3.37Å; K747-L751 PolarHBondContact O-N 3.05Å |
| 748 | H | 93.9 | Very high | 94.4 | Very high | 114 Ų | 114 | 104.3 Ų | 104.3 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 176.9 | 180 | -96.9 | 0 | 0 | 0 | 110.4 | L744 E745 E746 L751 L752 | L744-H748 VanDerWaalsContact O-CB 3.26Å; L744-H748 WeakPolarHBondContact O-CB 3.41Å; L744-H748 PolarHBondContact O-N 3.37Å; E745-H748 CarbonylContact O-C 3.59Å; E745-H748 PolarHBondContact O-N 2.84Å; E746-H748 VanDerWaalsContact C-N 3.34Å; H748-L751 PolarHBondContact O-N 3.48Å; H748-L752 VanDerWaalsContact O-CB 3.27Å; H748-L752 WeakPolarHBondContact O-CB 3.42Å; H748-L752 PolarHBondContact O-N 2.88Å |
| 749 | Q | 94 | Very high | 94.4 | Very high | 124 Ų | 124 | 101.5 Ų | 101.5 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 174.9 | -130.9 | 125.1 | 14.9 | 0 | 0 | 111.4 | E745 E746 L752 Q753 | E745-Q749 WeakPolarHBondContact O-CB 3.45Å; E745-Q749 PolarHBondContact O-N 3.27Å; E746-Q749 PolarHBondContact O-N 2.84Å; Q749-L752 PolarHBondContact O-N 3.23Å; Q749-Q753 WeakPolarHBondContact O-CB 3.43Å; Q749-Q753 PolarHBondContact O-N 3.22Å |
| 750 | A | 95 | Very high | 94.3 | Very high | 53 Ų | 53 | 96.4 Ų | 96.4 | 44% | 0.438 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E746 K747 Q753 M754 | E746-A750 WeakPolarHBondContact O-CB 3.38Å; E746-A750 PolarHBondContact O-N 3.11Å; K747-A750 PolarHBondContact O-N 3.49Å; A750-Q753 PolarHBondContact O-N 3.04Å; A750-M754 WeakPolarHBondContact O-CB 3.27Å; A750-M754 WeakPolarHBondContact O-CG 3.27Å; A750-M754 PolarHBondContact O-N 3.5Å |
| 751 | L | 94.7 | Very high | 94.2 | Very high | 118 Ų | 118 | 95.2 Ų | 95.2 | 62% | 0.618 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.9 | -38.3 | 175.5 | -175.4 | 63.5 | 0 | 0 | 0 | 111.5 | K747 H748 M754 Y755 | K747-L751 VanDerWaalsContact O-CB 3.28Å; K747-L751 WeakPolarHBondContact O-CB 3.37Å; K747-L751 PolarHBondContact O-N 3.05Å; H748-L751 PolarHBondContact O-N 3.48Å; L751-M754 PolarHBondContact O-N 2.85Å; L751-Y755 WeakPolarHBondContact O-CB 3.4Å; L751-Y755 PolarHBondContact O-N 3.41Å |
| 752 | L | 94 | Very high | 94.2 | Very high | 105 Ų | 105 | 93.3 Ų | 93.3 | 55% | 0.55 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 177.6 | -155.7 | 72.1 | 0 | 0 | 0 | 111.1 | H748 Q749 Y755 G756 | H748-L752 VanDerWaalsContact O-CB 3.27Å; H748-L752 WeakPolarHBondContact O-CB 3.42Å; H748-L752 PolarHBondContact O-N 2.88Å; Q749-L752 PolarHBondContact O-N 3.23Å; L752-Y755 PolarHBondContact O-N 3.25Å; L752-G756 PolarHBondContact O-N 3.29Å |
| 753 | Q | 93.8 | Very high | 94.1 | Very high | 126 Ų | 126 | 93.2 Ų | 93.2 | 59% | 0.589 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.9 | -49.9 | 172 | -176.5 | 178.6 | -15.7 | 0 | 0 | 110.9 | Q749 A750 Y755 G756 E757 | Q749-Q753 WeakPolarHBondContact O-CB 3.43Å; Q749-Q753 PolarHBondContact O-N 3.22Å; A750-Q753 PolarHBondContact O-N 3.04Å; Q753-Y755 VanDerWaalsContact C-N 3.26Å; Q753-Y755 PolarHBondContact O-N 2.81Å; Q753-G756 WeakPolarHBondContact O-CA 3.43Å; Q753-G756 PolarHBondContact O-N 3.3Å; Q753-G756 VanDerWaalsContact O-N 3.12Å; Q753-E757 WeakPolarHBondContact CG-OE1 3.42Å; Q753-E757 PolarHBondContact NE2-OE1 3.2Å; Q753-E757 VanDerWaalsContact NE2-OE1 3.1Å; Q753-E757 WeakPolarHBondContact O-CG 3.43Å; Q753-E757 PolarHBondContact O-N 3.43Å |
| 754 | M | 93.1 | Very high | 94 | Very high | 96 Ų | 96 | 91.7 Ų | 91.7 | 47% | 0.473 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.4 | -37.6 | 174.2 | -84.7 | -73.6 | -55.6 | 0 | 0 | 112.4 | A750 L751 K758 | A750-M754 WeakPolarHBondContact O-CB 3.27Å; A750-M754 WeakPolarHBondContact O-CG 3.27Å; A750-M754 PolarHBondContact O-N 3.5Å; L751-M754 PolarHBondContact O-N 2.85Å; M754-K758 VanDerWaalsContact O-CB 3.3Å; M754-K758 WeakPolarHBondContact O-CB 3.38Å; M754-K758 WeakPolarHBondContact O-CG 3.17Å; M754-K758 PolarHBondContact O-N 3.13Å |
| 755 | Y | 93.4 | Very high | 94 | Very high | 143 Ų | 143 | 90.6 Ų | 90.6 | 56% | 0.561 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.4 | -37.9 | 176.3 | -176.1 | -101 | 0 | 0 | 0 | 111.6 | L751 L752 Q753 K758 L759 | L751-Y755 WeakPolarHBondContact O-CB 3.4Å; L751-Y755 PolarHBondContact O-N 3.41Å; L752-Y755 PolarHBondContact O-N 3.25Å; Q753-Y755 VanDerWaalsContact C-N 3.26Å; Q753-Y755 PolarHBondContact O-N 2.81Å; Y755-K758 PolarHBondContact O-N 3.06Å; Y755-L759 HydrophobicContact CD1-CD1 3.76Å; Y755-L759 HydrophobicContact CD1-CG 4.16Å; Y755-L759 HydrophobicContact CE1-CD1 3.26Å; Y755-L759 HydrophobicContact CE1-CD2 4.46Å; Y755-L759 HydrophobicContact CE1-CG 3.74Å; Y755-L759 WeakPolarHBondContact O-CB 3.39Å; Y755-L759 WeakPolarHBondContact O-CG 3Å; Y755-L759 PolarHBondContact O-N 2.91Å |
| 756 | G | 93.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 88.2 Ų | 88.2 | 16% | 0.155 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.3 | -51.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L752 Q753 K758 L759 E760 | L752-G756 PolarHBondContact O-N 3.29Å; Q753-G756 WeakPolarHBondContact O-CA 3.43Å; Q753-G756 PolarHBondContact O-N 3.3Å; Q753-G756 VanDerWaalsContact O-N 3.12Å; G756-K758 VanDerWaalsContact C-N 3.28Å; G756-K758 PolarHBondContact O-N 3.44Å; G756-L759 WeakPolarHBondContact O-CB 3.42Å; G756-L759 PolarHBondContact O-N 2.67Å; G756-L759 VanDerWaalsContact O-N 3.09Å; G756-E760 WeakPolarHBondContact O-CG 3.16Å; G756-E760 PolarHBondContact O-N 3.41Å |
| 757 | E | 94.1 | Very high | 93.7 | Very high | 90 Ų | 90 | 85 Ų | 85 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.2 | -39.3 | 175.3 | -71.3 | 173.1 | -163.4 | 0 | 0 | 111.5 | Q753 E761 | Q753-E757 WeakPolarHBondContact CG-OE1 3.42Å; Q753-E757 PolarHBondContact NE2-OE1 3.2Å; Q753-E757 VanDerWaalsContact NE2-OE1 3.1Å; Q753-E757 WeakPolarHBondContact O-CG 3.43Å; Q753-E757 PolarHBondContact O-N 3.43Å; E757-E761 WeakPolarHBondContact O-CA 3.24Å; E757-E761 WeakPolarHBondContact O-CB 3.46Å; E757-E761 PolarHBondContact O-N 2.98Å |
| 758 | K | 93.8 | Very high | 93.8 | Very high | 108 Ų | 108 | 79.9 Ų | 79.9 | 47% | 0.47 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -74.4 | -30.2 | 176.1 | -73.6 | -68.5 | 172.2 | -163 | 0 | 113.8 | M754 Y755 G756 E761 N762 | M754-K758 VanDerWaalsContact O-CB 3.3Å; M754-K758 WeakPolarHBondContact O-CB 3.38Å; M754-K758 WeakPolarHBondContact O-CG 3.17Å; M754-K758 PolarHBondContact O-N 3.13Å; Y755-K758 PolarHBondContact O-N 3.06Å; G756-K758 VanDerWaalsContact C-N 3.28Å; G756-K758 PolarHBondContact O-N 3.44Å; K758-E761 WeakPolarHBondContact CD-OE2 3.36Å; K758-E761 WeakPolarHBondContact CE-OE2 3.41Å; K758-E761 IonicContact NZ-OE1 3.28Å; K758-E761 IonicContact NZ-OE2 2.68Å; K758-E761 PolarHBondContact NZ-OE2 2.82Å; K758-E761 CarbonylContact O-C 3.6Å; K758-E761 VanDerWaalsContact O-C 3.23Å; K758-N762 VanDerWaalsContact O-CB 3.3Å; K758-N762 WeakPolarHBondContact O-CB 3.45Å; K758-N762 PolarHBondContact O-N 3.48Å |
| 759 | L | 94.7 | Very high | 93.7 | Very high | 65 Ų | 65 | 77.6 Ų | 77.6 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.7 | -45.7 | 173.5 | -90.2 | 178.6 | 0 | 0 | 0 | 110.5 | Y755 G756 N762 E763 | Y755-L759 HydrophobicContact CD1-CD1 3.76Å; Y755-L759 HydrophobicContact CD1-CG 4.16Å; Y755-L759 HydrophobicContact CE1-CD1 3.26Å; Y755-L759 HydrophobicContact CE1-CD2 4.46Å; Y755-L759 HydrophobicContact CE1-CG 3.74Å; Y755-L759 WeakPolarHBondContact O-CB 3.39Å; Y755-L759 WeakPolarHBondContact O-CG 3Å; Y755-L759 PolarHBondContact O-N 2.91Å; G756-L759 WeakPolarHBondContact O-CB 3.42Å; G756-L759 PolarHBondContact O-N 2.67Å; G756-L759 VanDerWaalsContact O-N 3.09Å; L759-N762 CarbonylContact O-C 3.58Å; L759-N762 PolarHBondContact O-N 3.08Å; L759-E763 WeakPolarHBondContact O-CB 3.46Å; L759-E763 WeakPolarHBondContact O-CG 3.43Å; L759-E763 PolarHBondContact O-N 3.11Å |
| 760 | E | 92.4 | Very high | 93.6 | Very high | 30 Ų | 30 | 78.3 Ų | 78.3 | 14% | 0.14 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.7 | -57 | 168 | -70.7 | 157.3 | -138.1 | 0 | 0 | 107.5 | N386 L389 T390 K393 G756 N762 E763 S764 | N386-E760 HydrophobicContact CB-CG 4.4Å; N386-E760 PolarHBondContact ND2-OE1 3.05Å; N386-E760 PolarHBondContact OD1-OE1 3.49Å; L389-E760 HydrophobicContact CB-CG 4.48Å; L389-E760 WeakPolarHBondContact CD1-OE2 3.26Å; T390-E760 HydrophobicContact CG2-CB 4.44Å; T390-E760 HydrophobicContact CG2-CG 4.12Å; K393-E760 PolarHBondContact NZ-O 3.17Å; G756-E760 WeakPolarHBondContact O-CG 3.16Å; G756-E760 PolarHBondContact O-N 3.41Å; E760-N762 PolarHBondContact O-N 2.93Å; E760-E763 PolarHBondContact O-N 3.33Å; E760-S764 VanDerWaalsContact C-OG 3.31Å; E760-S764 WeakPolarHBondContact O-CB 3.47Å; E760-S764 PolarHBondContact O-N 3.47Å; E760-S764 PolarHBondContact O-OG 3.37Å |
| 761 | E | 93.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 77.4 Ų | 77.4 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -1.8 | 172.8 | -151.3 | -157.4 | 154.2 | 0 | 0 | 114.5 | K393 E757 K758 L765 | K393-E761 HydrophobicContact CD-CG 4.39Å; K393-E761 WeakPolarHBondContact CE-O 3.36Å; K393-E761 PolarHBondContact NZ-O 3.28Å; E757-E761 WeakPolarHBondContact O-CA 3.24Å; E757-E761 WeakPolarHBondContact O-CB 3.46Å; E757-E761 PolarHBondContact O-N 2.98Å; K758-E761 WeakPolarHBondContact CD-OE2 3.36Å; K758-E761 WeakPolarHBondContact CE-OE2 3.41Å; K758-E761 IonicContact NZ-OE1 3.28Å; K758-E761 IonicContact NZ-OE2 2.68Å; K758-E761 PolarHBondContact NZ-OE2 2.82Å; K758-E761 CarbonylContact O-C 3.6Å; K758-E761 VanDerWaalsContact O-C 3.23Å; E761-L765 WeakPolarHBondContact O-CB 3.33Å; E761-L765 WeakPolarHBondContact O-CD1 3.39Å |
| 762 | N | 94 | Very high | 93.4 | Very high | 104 Ų | 104 | 71.8 Ų | 71.8 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -111.5 | -46.2 | 169.3 | -171.3 | 36 | 0 | 0 | 0 | 113.5 | K758 L759 E760 S764 L765 G766 | K758-N762 VanDerWaalsContact O-CB 3.3Å; K758-N762 WeakPolarHBondContact O-CB 3.45Å; K758-N762 PolarHBondContact O-N 3.48Å; L759-N762 CarbonylContact O-C 3.58Å; L759-N762 PolarHBondContact O-N 3.08Å; E760-N762 PolarHBondContact O-N 2.93Å; N762-S764 PolarHBondContact O-N 3.03Å; N762-L765 CarbonylContact O-C 3.58Å; N762-L765 VanDerWaalsContact O-C 3.27Å; N762-L765 WeakPolarHBondContact O-CA 3.32Å; N762-L765 WeakPolarHBondContact O-CB 3.37Å; N762-L765 PolarHBondContact O-N 3.49Å; N762-G766 PolarHBondContact O-N 2.78Å |
| 763 | E | 92.4 | Very high | 93.3 | Very high | 99 Ų | 99 | 71.9 Ų | 71.9 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.3 | -43.9 | 175.2 | -78.7 | -173.9 | -161.1 | 0 | 0 | 110.5 | T390 L759 E760 L765 G766 L767 | T390-E763 WeakPolarHBondContact CB-OE2 3.26Å; T390-E763 HydrophobicContact CG2-CB 3.79Å; T390-E763 HydrophobicContact CG2-CG 4.27Å; T390-E763 WeakPolarHBondContact CG2-OE2 3.31Å; T390-E763 PolarHBondContact OG1-OE2 2.7Å; L759-E763 WeakPolarHBondContact O-CB 3.46Å; L759-E763 WeakPolarHBondContact O-CG 3.43Å; L759-E763 PolarHBondContact O-N 3.11Å; E760-E763 PolarHBondContact O-N 3.33Å; E763-L765 PolarHBondContact O-N 3.38Å; E763-G766 CarbonylContact O-C 3.57Å; E763-G766 VanDerWaalsContact O-CA 3.25Å; E763-G766 WeakPolarHBondContact O-CA 3.4Å; E763-G766 PolarHBondContact O-N 3.43Å; E763-L767 WeakPolarHBondContact O-CD1 3.43Å; E763-L767 PolarHBondContact O-N 3.39Å |
| 764 | S | 92.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.028 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -75.9 | -23.9 | -170.2 | 82 | 0 | 0 | 0 | 0 | 106.1 | T390 K393 A394 E760 N762 G766 L767 E768 | T390-S764 VanDerWaalsContact O-CB 3.31Å; T390-S764 WeakPolarHBondContact O-CB 3.39Å; K393-S764 CarbonylContact C-O 3.59Å; K393-S764 WeakPolarHBondContact CB-OG 3.33Å; K393-S764 WeakPolarHBondContact CD-OG 3.22Å; K393-S764 VanDerWaalsContact CE-OG 3.23Å; K393-S764 WeakPolarHBondContact CE-OG 3.16Å; K393-S764 WeakPolarHBondContact CG-OG 3.42Å; K393-S764 VanDerWaalsContact NZ-CB 3.31Å; K393-S764 PolarHBondContact NZ-OG 3.01Å; A394-S764 WeakPolarHBondContact CA-O 3.44Å; A394-S764 PolarHBondContact N-O 2.6Å; E760-S764 VanDerWaalsContact C-OG 3.31Å; E760-S764 WeakPolarHBondContact O-CB 3.47Å; E760-S764 PolarHBondContact O-N 3.47Å; E760-S764 PolarHBondContact O-OG 3.37Å; N762-S764 PolarHBondContact O-N 3.03Å; S764-G766 PolarHBondContact O-N 3.08Å; S764-L767 PolarHBondContact O-N 3.1Å; S764-E768 VanDerWaalsContact C-CG 3.49Å; S764-E768 VanDerWaalsContact O-CB 3.25Å; S764-E768 WeakPolarHBondContact O-CB 3.4Å; S764-E768 WeakPolarHBondContact O-CG 3.4Å; S764-E768 PolarHBondContact O-N 3.29Å |
| 765 | L | 94.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 64.9 Ų | 64.9 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.5 | -11.1 | 171.3 | -117.6 | 167.2 | 0 | 0 | 0 | 112 | E397 E761 N762 E763 L769 | E397-L765 HydrophobicContact CG-CD2 4.15Å; E397-L765 WeakPolarHBondContact OE1-CA 3.32Å; E397-L765 VanDerWaalsContact OE1-CB 3.27Å; E397-L765 WeakPolarHBondContact OE1-CB 3.23Å; E397-L765 WeakPolarHBondContact OE1-CD2 3.46Å; E397-L765 WeakPolarHBondContact OE1-CG 3.3Å; E397-L765 WeakPolarHBondContact OE2-CA 3.47Å; E761-L765 WeakPolarHBondContact O-CB 3.33Å; E761-L765 WeakPolarHBondContact O-CD1 3.39Å; N762-L765 CarbonylContact O-C 3.58Å; N762-L765 VanDerWaalsContact O-C 3.27Å; N762-L765 WeakPolarHBondContact O-CA 3.32Å; N762-L765 WeakPolarHBondContact O-CB 3.37Å; N762-L765 PolarHBondContact O-N 3.49Å; E763-L765 PolarHBondContact O-N 3.38Å; L765-L769 WeakPolarHBondContact O-CB 3.49Å |
| 766 | G | 94.4 | Very high | 93 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -96.6 | -50.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N762 E763 S764 L769 Y770 | N762-G766 PolarHBondContact O-N 2.78Å; E763-G766 CarbonylContact O-C 3.57Å; E763-G766 VanDerWaalsContact O-CA 3.25Å; E763-G766 WeakPolarHBondContact O-CA 3.4Å; E763-G766 PolarHBondContact O-N 3.43Å; S764-G766 PolarHBondContact O-N 3.08Å; G766-L769 PolarHBondContact O-N 3.4Å; G766-Y770 WeakPolarHBondContact O-CB 3.31Å; G766-Y770 PolarHBondContact O-N 3.22Å |
| 767 | L | 91.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 64 Ų | 64 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.6 | -29.5 | 175.5 | -19.4 | 76.7 | 0 | 0 | 0 | 111.8 | T390 A394 E763 S764 L769 Y770 D771 | T390-L767 WeakPolarHBondContact O-CD1 3.4Å; A394-L767 HydrophobicContact CB-CB 3.3Å; A394-L767 HydrophobicContact CB-CD1 3.23Å; A394-L767 HydrophobicContact CB-CD2 3.53Å; A394-L767 HydrophobicContact CB-CG 3.45Å; A394-L767 VanDerWaalsContact CB-CG 3.45Å; A394-L767 CarbonylContact O-C 3.53Å; E763-L767 WeakPolarHBondContact O-CD1 3.43Å; E763-L767 PolarHBondContact O-N 3.39Å; S764-L767 PolarHBondContact O-N 3.1Å; L767-L769 VanDerWaalsContact C-N 3.31Å; L767-L769 PolarHBondContact O-N 2.76Å; L767-Y770 WeakPolarHBondContact O-CA 3.38Å; L767-Y770 VanDerWaalsContact O-CB 3.31Å; L767-Y770 WeakPolarHBondContact O-CB 3.49Å; L767-Y770 PolarHBondContact O-N 3.24Å; L767-D771 PolarHBondContact O-N 3.47Å |
| 768 | E | 95.2 | Very high | 92.7 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 175.3 | 43.5 | 148.7 | 115.4 | 0 | 0 | 110.5 | K393 A394 V396 E397 H398 S764 Y770 D771 V772 | K393-E768 VanDerWaalsContact C-CG 3.41Å; K393-E768 HydrophobicContact CB-CG 4.17Å; K393-E768 HydrophobicContact CG-CG 3.74Å; K393-E768 WeakPolarHBondContact CG-OE1 3.31Å; K393-E768 WeakPolarHBondContact O-CB 3.33Å; K393-E768 WeakPolarHBondContact O-CG 3.43Å; A394-E768 WeakPolarHBondContact O-CA 3.18Å; A394-E768 WeakPolarHBondContact O-CB 3.46Å; A394-E768 PolarHBondContact O-N 3.46Å; V396-E768 HydrophobicContact CB-CG 4.47Å; V396-E768 WeakPolarHBondContact CB-OE1 3.35Å; V396-E768 WeakPolarHBondContact CG1-OE1 3.28Å; E397-E768 VanDerWaalsContact C-CB 3.44Å; E397-E768 CarbonylContact C-O 3.51Å; E397-E768 VanDerWaalsContact CA-CD 3.44Å; E397-E768 WeakPolarHBondContact CA-OE2 3.38Å; E397-E768 VanDerWaalsContact CB-C 3.42Å; E397-E768 HydrophobicContact CB-CB 3.28Å; E397-E768 HydrophobicContact CB-CG 3.67Å; E397-E768 WeakPolarHBondContact CB-OE2 3.49Å; E397-E768 HydrophobicContact CG-CB 3.82Å; E397-E768 VanDerWaalsContact CG-CD 3.47Å; E397-E768 HydrophobicContact CG-CG 3.65Å; E397-E768 WeakPolarHBondContact CG-OE2 3.33Å; E397-E768 PolarHBondContact N-OE1 3.44Å; E397-E768 PolarHBondContact N-OE2 3.47Å; E397-E768 WeakPolarHBondContact OE1-CG 3.32Å; E397-E768 VanDerWaalsContact OE2-CA 3.23Å; E397-E768 WeakPolarHBondContact OE2-CA 3.37Å; E397-E768 WeakPolarHBondContact OE2-CB 3.38Å; E397-E768 WeakPolarHBondContact OE2-CG 3.48Å; H398-E768 WeakPolarHBondContact CA-O 3.36Å; H398-E768 VanDerWaalsContact N-CB 3.3Å; H398-E768 PolarHBondContact N-O 3.32Å; S764-E768 VanDerWaalsContact C-CG 3.49Å; S764-E768 VanDerWaalsContact O-CB 3.25Å; S764-E768 WeakPolarHBondContact O-CB 3.4Å; S764-E768 WeakPolarHBondContact O-CG 3.4Å; S764-E768 PolarHBondContact O-N 3.29Å; E768-Y770 VanDerWaalsContact C-N 3.32Å; E768-Y770 PolarHBondContact O-N 2.88Å; E768-D771 PolarHBondContact O-N 3.04Å; E768-V772 WeakPolarHBondContact O-CG2 3.5Å; E768-V772 PolarHBondContact O-N 3.18Å |
| 769 | L | 93.1 | Very high | 92.4 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -29.8 | 169.3 | -152.3 | 134.5 | 0 | 0 | 0 | 114.7 | E397 Q401 L765 G766 L767 K773 | E397-L769 PolarHBondContact OE2-N 2.92Å; Q401-L769 HydrophobicContact CG-CG 4.25Å; L765-L769 WeakPolarHBondContact O-CB 3.49Å; G766-L769 PolarHBondContact O-N 3.4Å; L767-L769 VanDerWaalsContact C-N 3.31Å; L767-L769 PolarHBondContact O-N 2.76Å; L769-K773 HydrophobicContact CD2-CD 4.41Å; L769-K773 VanDerWaalsContact CD2-CE 3.46Å; L769-K773 VanDerWaalsContact CD2-NZ 3.33Å; L769-K773 WeakPolarHBondContact O-CG 3.18Å |
| 770 | Y | 92.2 | Very high | 92 | Very high | 138 Ų | 138 | 62.9 Ų | 62.9 | 54% | 0.541 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -55.1 | 177.7 | 165.4 | -106.7 | 0 | 0 | 0 | 110.2 | G766 L767 E768 V772 K773 A774 | G766-Y770 WeakPolarHBondContact O-CB 3.31Å; G766-Y770 PolarHBondContact O-N 3.22Å; L767-Y770 WeakPolarHBondContact O-CA 3.38Å; L767-Y770 VanDerWaalsContact O-CB 3.31Å; L767-Y770 WeakPolarHBondContact O-CB 3.49Å; L767-Y770 PolarHBondContact O-N 3.24Å; E768-Y770 VanDerWaalsContact C-N 3.32Å; E768-Y770 PolarHBondContact O-N 2.88Å; Y770-V772 PolarHBondContact O-N 3.04Å; Y770-K773 WeakPolarHBondContact O-CB 3.4Å; Y770-K773 PolarHBondContact O-N 3.43Å; Y770-K773 VanDerWaalsContact O-N 3.11Å; Y770-A774 PolarHBondContact O-N 3.3Å |
| 771 | D | 91.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.9 | -17.9 | -170.4 | 55.3 | -97.4 | 0 | 0 | 0 | 109 | H398 L767 E768 K773 A774 M775 | H398-D771 HydrophobicContact CB-CB 3.39Å; H398-D771 WeakPolarHBondContact CB-OD2 3.32Å; H398-D771 WeakPolarHBondContact CD2-CA 3.48Å; H398-D771 WeakPolarHBondContact CD2-CB 3.38Å; H398-D771 PolarHBondContact CD2-O 3.31Å; H398-D771 IonicContact CD2-OD2 2.67Å; H398-D771 PolarHBondContact CD2-OD2 3.44Å; H398-D771 VanDerWaalsContact CD2-OD2 3.25Å; H398-D771 VanDerWaalsContact CG-CA 3.46Å; H398-D771 VanDerWaalsContact CG-CG 3.45Å; H398-D771 IonicContact CG-OD2 2.94Å; H398-D771 IonicContact ND1-OD2 3.08Å; H398-D771 PolarHBondContact NE2-O 2.89Å; L767-D771 PolarHBondContact O-N 3.47Å; E768-D771 PolarHBondContact O-N 3.04Å; D771-K773 VanDerWaalsContact C-N 3.32Å; D771-K773 PolarHBondContact O-N 3.43Å; D771-A774 HydrophobicContact CB-CB 4.35Å; D771-A774 CarbonylContact O-C 3.59Å; D771-A774 WeakPolarHBondContact O-CA 3.26Å; D771-A774 WeakPolarHBondContact O-CB 3.49Å; D771-A774 PolarHBondContact O-N 3.08Å; D771-M775 PolarHBondContact O-N 3.38Å |
| 772 | V | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.7 | -49.4 | 168.3 | 173.3 | 0 | 0 | 0 | 0 | 115.5 | E397 H398 Q401 V402 E768 Y770 A774 M775 F776 | E397-V772 WeakPolarHBondContact O-CG2 3.44Å; H398-V772 VanDerWaalsContact O-CG2 3.25Å; H398-V772 WeakPolarHBondContact O-CG2 3.46Å; Q401-V772 VanDerWaalsContact C-CG2 3.49Å; Q401-V772 HydrophobicContact CB-CB 3.73Å; Q401-V772 HydrophobicContact CB-CG1 3.67Å; Q401-V772 HydrophobicContact CB-CG2 2.99Å; Q401-V772 HydrophobicContact CG-CB 3.5Å; Q401-V772 VanDerWaalsContact CG-CB 3.5Å; Q401-V772 HydrophobicContact CG-CG1 3.29Å; Q401-V772 HydrophobicContact CG-CG2 3.32Å; Q401-V772 WeakPolarHBondContact O-CG1 3.45Å; V402-V772 HydrophobicContact CG2-CB 3.93Å; V402-V772 HydrophobicContact CG2-CG1 3.74Å; V402-V772 HydrophobicContact CG2-CG2 4.11Å; V402-V772 VanDerWaalsContact CG2-O 3.31Å; V402-V772 WeakPolarHBondContact CG2-O 3.26Å; V402-V772 VanDerWaalsContact N-CG1 3.29Å; E768-V772 WeakPolarHBondContact O-CG2 3.5Å; E768-V772 PolarHBondContact O-N 3.18Å; Y770-V772 PolarHBondContact O-N 3.04Å; V772-A774 PolarHBondContact O-N 3.41Å; V772-A774 VanDerWaalsContact O-N 3.14Å; V772-M775 PolarHBondContact O-N 2.65Å; V772-M775 VanDerWaalsContact O-N 3.09Å; V772-F776 HydrophobicContact CG1-CD2 3.23Å; V772-F776 HydrophobicContact CG1-CE2 3.05Å; V772-F776 HydrophobicContact CG1-CG 4.49Å; V772-F776 HydrophobicContact CG1-CZ 4.21Å; V772-F776 WeakPolarHBondContact O-CD2 3.48Å; V772-F776 PolarHBondContact O-N 3.42Å |
| 773 | K | 92.6 | Very high | 90.8 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -29.2 | 177.6 | -63.3 | 166.9 | 173.3 | 169.1 | 0 | 108.4 | L769 Y770 D771 R777 | L769-K773 HydrophobicContact CD2-CD 4.41Å; L769-K773 VanDerWaalsContact CD2-CE 3.46Å; L769-K773 VanDerWaalsContact CD2-NZ 3.33Å; L769-K773 WeakPolarHBondContact O-CG 3.18Å; Y770-K773 WeakPolarHBondContact O-CB 3.4Å; Y770-K773 PolarHBondContact O-N 3.43Å; Y770-K773 VanDerWaalsContact O-N 3.11Å; D771-K773 VanDerWaalsContact C-N 3.32Å; D771-K773 PolarHBondContact O-N 3.43Å; K773-R777 VanDerWaalsContact C-CZ 3.5Å; K773-R777 VanDerWaalsContact O-CB 3.23Å; K773-R777 WeakPolarHBondContact O-CB 3.44Å; K773-R777 WeakPolarHBondContact O-CG 3.42Å; K773-R777 PolarHBondContact O-N 3.37Å; K773-R777 PolarHBondContact O-NE 3.19Å |
| 774 | A | 91.3 | Very high | 90.3 | Very high | 22 Ų | 22 | 67.3 Ų | 67.3 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.6 | -47.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y770 D771 V772 R777 K778 | Y770-A774 PolarHBondContact O-N 3.3Å; D771-A774 HydrophobicContact CB-CB 4.35Å; D771-A774 CarbonylContact O-C 3.59Å; D771-A774 WeakPolarHBondContact O-CA 3.26Å; D771-A774 WeakPolarHBondContact O-CB 3.49Å; D771-A774 PolarHBondContact O-N 3.08Å; V772-A774 PolarHBondContact O-N 3.41Å; V772-A774 VanDerWaalsContact O-N 3.14Å; A774-R777 PolarHBondContact O-N 3.17Å; A774-K778 WeakPolarHBondContact O-CG 3.48Å; A774-K778 PolarHBondContact O-N 3.49Å |
| 775 | M | 91 | Very high | 89.6 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.2 | -32.9 | 175.3 | -47.3 | -159.8 | -108.9 | 0 | 0 | 112.3 | H398 E399 V402 D771 V772 K778 Q779 | H398-M775 WeakPolarHBondContact CE1-CE 3.29Å; H398-M775 WeakPolarHBondContact CE1-CG 3.31Å; H398-M775 PolarHBondContact CE1-SD 3.27Å; H398-M775 VanDerWaalsContact ND1-CE 3.34Å; H398-M775 WeakPolarHBondContact ND1-CE 3.4Å; H398-M775 WeakPolarHBondContact NE2-CG 3.41Å; E399-M775 HydrophobicContact CG-CE 4.38Å; V402-M775 HydrophobicContact CB-CB 4.05Å; V402-M775 HydrophobicContact CB-CE 3.35Å; V402-M775 HydrophobicContact CB-CG 4.21Å; V402-M775 HydrophobicContact CB-SD 4.16Å; V402-M775 HydrophobicContact CG1-CB 3.56Å; V402-M775 HydrophobicContact CG1-CE 3.41Å; V402-M775 VanDerWaalsContact CG1-CE 3.41Å; V402-M775 HydrophobicContact CG1-CG 3.96Å; V402-M775 HydrophobicContact CG1-SD 3.66Å; V402-M775 HydrophobicContact CG2-CB 3.33Å; V402-M775 HydrophobicContact CG2-CE 3.57Å; V402-M775 HydrophobicContact CG2-CG 3.53Å; V402-M775 HydrophobicContact CG2-SD 4.12Å; D771-M775 PolarHBondContact O-N 3.38Å; V772-M775 PolarHBondContact O-N 2.65Å; V772-M775 VanDerWaalsContact O-N 3.09Å; M775-K778 PolarHBondContact O-N 2.74Å; M775-Q779 WeakPolarHBondContact O-CB 3.47Å; M775-Q779 WeakPolarHBondContact O-CG 3.16Å; M775-Q779 PolarHBondContact O-N 3.38Å |
| 776 | F | 90.9 | Very high | 88.7 | Confident | 15 Ų | 15 | 71.9 Ų | 71.9 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 172.5 | -74.1 | -49.5 | 0 | 0 | 0 | 113.5 | Q401 V402 D405 L406 V772 K778 Q779 V780 | Q401-F776 WeakPolarHBondContact O-CE2 3.49Å; Q401-F776 WeakPolarHBondContact O-CZ 3.33Å; V402-F776 HydrophobicContact CB-CZ 4.32Å; V402-F776 HydrophobicContact CG1-CZ 4.46Å; V402-F776 HydrophobicContact CG2-CE2 4.32Å; V402-F776 HydrophobicContact CG2-CZ 4.48Å; V402-F776 WeakPolarHBondContact O-CE1 3.47Å; V402-F776 WeakPolarHBondContact O-CZ 3.45Å; D405-F776 VanDerWaalsContact C-CZ 3.44Å; D405-F776 HydrophobicContact CB-CD1 3.84Å; D405-F776 HydrophobicContact CB-CD2 4Å; D405-F776 HydrophobicContact CB-CE1 3.23Å; D405-F776 HydrophobicContact CB-CE2 3.32Å; D405-F776 HydrophobicContact CB-CG 4.22Å; D405-F776 HydrophobicContact CB-CZ 2.92Å; D405-F776 VanDerWaalsContact CG-CD2 3.44Å; D405-F776 WeakPolarHBondContact OD1-CE2 3.38Å; D405-F776 WeakPolarHBondContact OD2-CD2 3.48Å; D405-F776 WeakPolarHBondContact OD2-CE2 3.44Å; D405-F776 WeakPolarHBondContact OD2-CG 3.3Å; D405-F776 WeakPolarHBondContact OD2-CZ 3.47Å; L406-F776 HydrophobicContact CG-CE1 4.36Å; L406-F776 VanDerWaalsContact N-CE1 3.25Å; V772-F776 HydrophobicContact CG1-CD2 3.23Å; V772-F776 HydrophobicContact CG1-CE2 3.05Å; V772-F776 HydrophobicContact CG1-CG 4.49Å; V772-F776 HydrophobicContact CG1-CZ 4.21Å; V772-F776 WeakPolarHBondContact O-CD2 3.48Å; V772-F776 PolarHBondContact O-N 3.42Å; F776-K778 VanDerWaalsContact C-N 3.34Å; F776-Q779 PolarHBondContact O-N 3.48Å; F776-V780 WeakPolarHBondContact O-CB 3.41Å; F776-V780 WeakPolarHBondContact O-CG2 3.42Å; F776-V780 PolarHBondContact O-N 3.07Å |
| 777 | R | 91.2 | Very high | 87.6 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.9 | -52.2 | 170.2 | -80.1 | -176.9 | -62.3 | -101.8 | 2.3 | 109.6 | K773 A774 Q779 V780 T781 | K773-R777 VanDerWaalsContact C-CZ 3.5Å; K773-R777 VanDerWaalsContact O-CB 3.23Å; K773-R777 WeakPolarHBondContact O-CB 3.44Å; K773-R777 WeakPolarHBondContact O-CG 3.42Å; K773-R777 PolarHBondContact O-N 3.37Å; K773-R777 PolarHBondContact O-NE 3.19Å; A774-R777 PolarHBondContact O-N 3.17Å; R777-Q779 PolarHBondContact O-N 3.42Å; R777-V780 PolarHBondContact O-N 2.83Å; R777-T781 PolarHBondContact O-N 3.26Å; R777-T781 PolarHBondContact O-OG1 2.97Å |
| 778 | K | 90.3 | Very high | 86.3 | Confident | 141 Ų | 141 | 81.6 Ų | 81.6 | 61% | 0.613 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -55.8 | -48 | 178.6 | -74.7 | -179.9 | -179.4 | 178.2 | 0 | 112.9 | A774 M775 F776 V780 T781 E782 | A774-K778 WeakPolarHBondContact O-CG 3.48Å; A774-K778 PolarHBondContact O-N 3.49Å; M775-K778 PolarHBondContact O-N 2.74Å; F776-K778 VanDerWaalsContact C-N 3.34Å; K778-V780 PolarHBondContact O-N 3.22Å; K778-T781 WeakPolarHBondContact O-CB 3.48Å; K778-T781 PolarHBondContact O-N 3.47Å; K778-E782 PolarHBondContact O-N 3.28Å |
| 779 | Q | 88.3 | Confident | 84.4 | Confident | 33 Ų | 33 | 89.8 Ų | 89.8 | 15% | 0.154 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 178.3 | -73.6 | 168.3 | 15.4 | 0 | 0 | 112.2 | L406 M775 F776 R777 T781 E782 L783 | L406-Q779 VanDerWaalsContact CD1-NE2 3.33Å; M775-Q779 WeakPolarHBondContact O-CB 3.47Å; M775-Q779 WeakPolarHBondContact O-CG 3.16Å; M775-Q779 PolarHBondContact O-N 3.38Å; F776-Q779 PolarHBondContact O-N 3.48Å; R777-Q779 PolarHBondContact O-N 3.42Å; Q779-T781 VanDerWaalsContact C-N 3.32Å; Q779-E782 PolarHBondContact O-N 2.81Å; Q779-L783 WeakPolarHBondContact O-CB 3.26Å; Q779-L783 VanDerWaalsContact O-CG 3.28Å; Q779-L783 WeakPolarHBondContact O-CG 3.37Å; Q779-L783 PolarHBondContact O-N 3.43Å |
| 780 | V | 86.3 | Confident | 82.3 | Confident | 65 Ų | 65 | 94.8 Ų | 94.8 | 39% | 0.394 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | F776 R777 K778 E782 L783 L784 | F776-V780 WeakPolarHBondContact O-CB 3.41Å; F776-V780 WeakPolarHBondContact O-CG2 3.42Å; F776-V780 PolarHBondContact O-N 3.07Å; R777-V780 PolarHBondContact O-N 2.83Å; K778-V780 PolarHBondContact O-N 3.22Å; V780-E782 VanDerWaalsContact C-N 3.34Å; V780-E782 PolarHBondContact O-N 3.31Å; V780-L783 PolarHBondContact O-N 2.91Å; V780-L784 HydrophobicContact CG1-CD1 3.84Å; V780-L784 HydrophobicContact CG1-CG 4.41Å; V780-L784 WeakPolarHBondContact O-CB 3.42Å; V780-L784 VanDerWaalsContact O-CG 3.29Å; V780-L784 WeakPolarHBondContact O-CG 3.45Å; V780-L784 PolarHBondContact O-N 3.09Å |
| 781 | T | 85.9 | Confident | 81.8 | Confident | 68 Ų | 68 | 92.6 Ų | 92.6 | 42% | 0.417 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 175.7 | -35.3 | 0 | 0 | 0 | 0 | 112.4 | R777 K778 Q779 K785 | R777-T781 PolarHBondContact O-N 3.26Å; R777-T781 PolarHBondContact O-OG1 2.97Å; K778-T781 WeakPolarHBondContact O-CB 3.48Å; K778-T781 PolarHBondContact O-N 3.47Å; Q779-T781 VanDerWaalsContact C-N 3.32Å; T781-K785 WeakPolarHBondContact O-CB 3.45Å; T781-K785 VanDerWaalsContact O-CG 3.26Å; T781-K785 WeakPolarHBondContact O-CG 3.45Å; T781-K785 PolarHBondContact O-N 3.33Å |
| 782 | E | 85.9 | Confident | 81.3 | Confident | 137 Ų | 137 | 95.7 Ų | 95.7 | 64% | 0.64 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.2 | -41.8 | 175.7 | -78.4 | 179.4 | 175.8 | 0 | 0 | 112.1 | K778 Q779 V780 K785 G786 | K778-E782 PolarHBondContact O-N 3.28Å; Q779-E782 PolarHBondContact O-N 2.81Å; V780-E782 VanDerWaalsContact C-N 3.34Å; V780-E782 PolarHBondContact O-N 3.31Å; E782-K785 PolarHBondContact O-N 3.06Å; E782-G786 PolarHBondContact O-N 3Å |
| 783 | L | 84 | Confident | 80.7 | Confident | 113 Ų | 113 | 101 Ų | 101 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -44.5 | 174.5 | -70.7 | 171.8 | 0 | 0 | 0 | 111.5 | Q779 V780 K785 G786 E787 | Q779-L783 WeakPolarHBondContact O-CB 3.26Å; Q779-L783 VanDerWaalsContact O-CG 3.28Å; Q779-L783 WeakPolarHBondContact O-CG 3.37Å; Q779-L783 PolarHBondContact O-N 3.43Å; V780-L783 PolarHBondContact O-N 2.91Å; L783-K785 VanDerWaalsContact C-N 3.33Å; L783-K785 PolarHBondContact O-N 3.46Å; L783-G786 WeakPolarHBondContact O-CA 3.4Å; L783-G786 PolarHBondContact O-N 3.43Å; L783-E787 PolarHBondContact O-N 3.28Å |
| 784 | L | 80.1 | Confident | 80 | Confident | 98 Ų | 98 | 100.6 Ų | 100.6 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 175 | -76 | 167.2 | 0 | 0 | 0 | 112.2 | V780 G786 E787 E788 | V780-L784 HydrophobicContact CG1-CD1 3.84Å; V780-L784 HydrophobicContact CG1-CG 4.41Å; V780-L784 WeakPolarHBondContact O-CB 3.42Å; V780-L784 VanDerWaalsContact O-CG 3.29Å; V780-L784 WeakPolarHBondContact O-CG 3.45Å; V780-L784 PolarHBondContact O-N 3.09Å; L784-G786 VanDerWaalsContact C-N 3.28Å; L784-G786 PolarHBondContact O-N 2.99Å; L784-E787 PolarHBondContact O-N 3.38Å; L784-E788 PolarHBondContact O-N 3.31Å |
| 785 | K | 79.2 | Confident | 79.3 | Confident | 132 Ų | 132 | 105.6 Ų | 105.6 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.4 | -25.1 | 173.7 | -77.4 | 176.6 | 179.6 | -179.3 | 0 | 113.4 | T781 E782 L783 | T781-K785 WeakPolarHBondContact O-CB 3.45Å; T781-K785 VanDerWaalsContact O-CG 3.26Å; T781-K785 WeakPolarHBondContact O-CG 3.45Å; T781-K785 PolarHBondContact O-N 3.33Å; E782-K785 PolarHBondContact O-N 3.06Å; L783-K785 VanDerWaalsContact C-N 3.33Å; L783-K785 PolarHBondContact O-N 3.46Å |
| 786 | G | 75.8 | Confident | 78.5 | Confident | 38 Ų | 38 | 109 Ų | 109 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.5 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E782 L783 L784 E788 K789 | E782-G786 PolarHBondContact O-N 3Å; L783-G786 WeakPolarHBondContact O-CA 3.4Å; L783-G786 PolarHBondContact O-N 3.43Å; L784-G786 VanDerWaalsContact C-N 3.28Å; L784-G786 PolarHBondContact O-N 2.99Å; G786-E788 PolarHBondContact O-N 3.26Å; G786-K789 PolarHBondContact O-N 3.06Å |
| 787 | E | 70.9 | Confident | 77.6 | Confident | 139 Ų | 139 | 115.7 Ų | 115.7 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.9 | -32.5 | 176.9 | -74.5 | -178.8 | 157.3 | 0 | 0 | 112.9 | L783 L784 K789 T790 | L783-E787 PolarHBondContact O-N 3.28Å; L784-E787 PolarHBondContact O-N 3.38Å; E787-K789 PolarHBondContact O-N 2.91Å; E787-T790 PolarHBondContact O-OG1 3.23Å; E787-T790 VanDerWaalsContact O-OG1 3.09Å |
| 788 | E | 64 | Low | 76.5 | Confident | 170 Ų | 170 | 115 Ų | 115 | 79% | 0.794 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -13.1 | 174.7 | -77.5 | -176.7 | 163.3 | 0 | 0 | 114.2 | L784 G786 | L784-E788 PolarHBondContact O-N 3.31Å; G786-E788 PolarHBondContact O-N 3.26Å |
| 789 | K | 55.6 | Low | 75.4 | Confident | 190 Ų | 190 | 112.8 Ų | 112.8 | 83% | 0.826 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -6.6 | 180 | -78.5 | -175.6 | 177.3 | -178.8 | 0 | 114.2 | G786 E787 | G786-K789 PolarHBondContact O-N 3.06Å; E787-K789 PolarHBondContact O-N 2.91Å |
| 790 | T | 48.7 | Very low | 74.2 | Confident | 171 Ų | 171 | 120.1 Ų | 120.1 | 100% | 1.049 | 62% | 0.622 | S | S | * | * | trans | -107.1 | 0 | 175.3 | 52.7 | 0 | 0 | 0 | 0 | 110 | E787 | E787-T790 PolarHBondContact O-OG1 3.23Å; E787-T790 VanDerWaalsContact O-OG1 3.09Å |
Retrieved 790 of 790 residues in 341.5 ms
(Link to these results)