| 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 | 44.2 | Very low | 48 | Very low | 237 Ų | 237 | 124.5 Ų | 124.5 | 100% | 1.167 | 69% | 0.685 | S | S | * | * | 0 | 147.6 | 0 | -66.9 | 160.3 | 73.5 | 0 | 0 | 109.1 | |||||
| 2 | S | 44.8 | Very low | 48.6 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | trans | 50.6 | 63.5 | 168.6 | -167 | 0 | 0 | 0 | 0 | 116.6 | R5 | S2-R5 VanDerWaalsContact CB-NH2 3.32Å; S2-R5 PolarHBondContact O-NE 3.2Å; S2-R5 PolarHBondContact OG-NH2 2.96Å | ||
| 3 | A | 39.8 | Very low | 48.7 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 28.7 | 120.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | R5 | A3-R5 WeakPolarHBondContact O-CG 3.43Å; A3-R5 PolarHBondContact O-N 3.25Å; A3-R5 VanDerWaalsContact O-N 3.11Å |
| 4 | A | 47.3 | Very low | 49.1 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | 55.2 | 30.3 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | N6 | A4-N6 PolarHBondContact O-N 2.87Š| ||
| 5 | R | 50.7 | Low | 49.4 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -18.7 | -165.2 | -62.1 | -175 | 177.9 | -157.9 | -8.2 | 119 | S2 A3 | S2-R5 VanDerWaalsContact CB-NH2 3.32Å; S2-R5 PolarHBondContact O-NE 3.2Å; S2-R5 PolarHBondContact OG-NH2 2.96Å; A3-R5 WeakPolarHBondContact O-CG 3.43Å; A3-R5 PolarHBondContact O-N 3.25Å; A3-R5 VanDerWaalsContact O-N 3.11Å |
| 6 | N | 52.9 | Low | 49.7 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -4.4 | -164.2 | -97.8 | 26.2 | 0 | 0 | 0 | 117.4 | A4 | A4-N6 PolarHBondContact O-N 2.87Š|
| 7 | Y | 52.6 | Low | 49.4 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | trans | -89.6 | 0 | -170.5 | -87.6 | -98.2 | 0 | 0 | 0 | 111.4 | Y22 P23 V24 | Y7-Y22 CarbonylContact O-C 3.57Å; Y7-Y22 WeakPolarHBondContact O-CA 3.06Å; Y7-Y22 VanDerWaalsContact O-CB 3.29Å; Y7-Y22 WeakPolarHBondContact O-CB 3.19Å; Y7-P23 VanDerWaalsContact CA-O 3.31Å; Y7-P23 WeakPolarHBondContact CA-O 3.3Å; Y7-P23 WeakPolarHBondContact CD1-O 3.38Å; Y7-P23 WeakPolarHBondContact CE1-O 3.36Å; Y7-P23 WeakPolarHBondContact O-CD 3.44Å; Y7-V24 HydrophobicContact CD1-CG1 4.31Å; Y7-V24 HydrophobicContact CE1-CG1 3.55Å | ||
| 8 | V | 48.8 | Very low | 49.6 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 58% | 0.582 | 71% | 0.706 | S | S | * | * | 0 | 72.5 | 0 | 155.6 | 0 | 0 | 0 | 0 | 126.3 | Y22 P23 | V8-Y22 VanDerWaalsContact CA-C 3.43Å; V8-P23 HydrophobicContact CB-CB 3.07Å; V8-P23 HydrophobicContact CB-CG 2.65Å; V8-P23 HydrophobicContact CG1-CB 4.09Å; V8-P23 HydrophobicContact CG1-CG 4.15Å; V8-P23 HydrophobicContact CG2-CB 4.32Å; V8-P23 HydrophobicContact CG2-CG 3.18Å; V8-P23 PolarHBondContact N-O 2.8Å; V8-P23 VanDerWaalsContact O-CA 3.26Å; V8-P23 WeakPolarHBondContact O-CA 3.33Å | |||
| 9 | Y | 49.8 | Very low | 49.5 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 55% | 0.549 | 71% | 0.714 | S | S | . | * | B | Isolated β-bridge | trans | -97.5 | 119.3 | 164.5 | -45.2 | -24.7 | 0 | 0 | 0 | 104.4 | R21 Y22 | Y9-R21 HydrophobicContact CD2-CB 3.16Å; Y9-R21 HydrophobicContact CE2-CB 3.27Å; Y9-R21 HydrophobicContact CG-CB 4.16Å; Y9-R21 PolarHBondContact N-O 3.4Å; Y9-R21 CarbonylContact O-C 3.58Å; Y9-R21 VanDerWaalsContact O-O 3.07Å; Y9-Y22 WeakPolarHBondContact CD1-O 3.46Å; Y9-Y22 WeakPolarHBondContact CE1-O 3.05Å |
| 10 | A | 51 | Low | 49.2 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | -64.2 | 173.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 11 | V | 45.7 | Very low | 49 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 38% | 0.376 | 71% | 0.705 | S | S | . | * | trans | -122.8 | 128.6 | 155.1 | 176.8 | 0 | 0 | 0 | 0 | 106.1 | L18 R19 I20 | V11-L18 HydrophobicContact CG1-CD2 3.58Å; V11-R19 WeakPolarHBondContact CG1-O 3.46Å; V11-R19 WeakPolarHBondContact CG2-O 3.36Å; V11-I20 HydrophobicContact CG2-CB 3.54Å; V11-I20 HydrophobicContact CG2-CG1 3.9Å; V11-I20 HydrophobicContact CG2-CG2 3.33Å | ||
| 12 | D | 55.8 | Low | 48.8 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | trans | -121.1 | 140.8 | -169.9 | -166.2 | 11.2 | 0 | 0 | 0 | 111.3 | L18 | D12-L18 VanDerWaalsContact O-CD1 3.32Å; D12-L18 WeakPolarHBondContact O-CD1 3.25Å; D12-L18 WeakPolarHBondContact O-CD2 3.39Å | ||
| 13 | Y | 50.3 | Low | 48.6 | Very low | 208 Ų | 208 | 133.8 Ų | 133.8 | 82% | 0.816 | 66% | 0.664 | S | S | * | * | trans | -87.8 | 130.6 | -166.5 | -101 | -103.6 | 0 | 0 | 0 | 112.6 | ||||
| 14 | K | 53.4 | Low | 47.9 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 68% | 0.683 | 67% | 0.665 | S | S | * | * | trans | -160.9 | 143.6 | 161.2 | -109.6 | 145.8 | -174.6 | 166.3 | 0 | 113.1 | G16 | K14-G16 VanDerWaalsContact C-N 3.34Å; K14-G16 PolarHBondContact O-N 3.31Å | ||
| 15 | L | 53.9 | Low | 46.1 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 95% | 0.953 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.1 | 14.8 | 153.3 | -57.5 | 169.9 | 0 | 0 | 0 | 119.7 | ||
| 16 | G | 53.9 | Low | 43.9 | Very low | 60 Ų | 60 | 140.5 Ų | 140.5 | 62% | 0.619 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.1 | -20.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | K14 | K14-G16 VanDerWaalsContact C-N 3.34Å; K14-G16 PolarHBondContact O-N 3.31Å |
| 17 | Y | 44.6 | Very low | 41.5 | Very low | 232 Ų | 232 | 142.4 Ų | 142.4 | 91% | 0.91 | 69% | 0.685 | S | S | * | * | trans | -157.1 | 142.8 | -179.5 | -61.1 | -79.7 | 0 | 0 | 0 | 112 | ||||
| 18 | L | 52.7 | Low | 39.1 | Very low | 102 Ų | 102 | 143 Ų | 143 | 53% | 0.534 | 70% | 0.697 | S | S | . | * | trans | -162.6 | 0 | -169.9 | -124.9 | 127.6 | 0 | 0 | 0 | 125.3 | V11 D12 | V11-L18 HydrophobicContact CG1-CD2 3.58Å; D12-L18 VanDerWaalsContact O-CD1 3.32Å; D12-L18 WeakPolarHBondContact O-CD1 3.25Å; D12-L18 WeakPolarHBondContact O-CD2 3.39Å | ||
| 19 | R | 47.6 | Very low | 36.9 | Very low | 228 Ų | 228 | 144.6 Ų | 144.6 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | 0 | 0 | 0 | -51.8 | -177.4 | -175.2 | 141.6 | 4.5 | 123.9 | V11 | V11-R19 WeakPolarHBondContact CG1-O 3.46Å; V11-R19 WeakPolarHBondContact CG2-O 3.36Å | |||
| 20 | I | 43.7 | Very low | 34.7 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | 0 | 0 | 0 | -17 | 179.4 | 0 | 0 | 0 | 129.6 | V11 | V11-I20 HydrophobicContact CG2-CB 3.54Å; V11-I20 HydrophobicContact CG2-CG1 3.9Å; V11-I20 HydrophobicContact CG2-CG2 3.33Å | |||
| 21 | R | 45.2 | Very low | 33 | Very low | 146 Ų | 146 | 152 Ų | 152 | 55% | 0.551 | 74% | 0.738 | S | S | * | * | B | Isolated β-bridge | 0 | -110.4 | 0 | -99.3 | 171.4 | 176.6 | 77.6 | 2.4 | 131.5 | Y9 | Y9-R21 HydrophobicContact CD2-CB 3.16Å; Y9-R21 HydrophobicContact CE2-CB 3.27Å; Y9-R21 HydrophobicContact CG-CB 4.16Å; Y9-R21 PolarHBondContact N-O 3.4Å; Y9-R21 CarbonylContact O-C 3.58Å; Y9-R21 VanDerWaalsContact O-O 3.07Å | |
| 22 | Y | 41.3 | Very low | 31.7 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 49% | 0.49 | 75% | 0.753 | S | S | . | * | trans | -122.9 | 119.8 | -155.5 | -57.3 | -50.7 | 0 | 0 | 0 | 129.1 | Y7 V8 Y9 | Y7-Y22 CarbonylContact O-C 3.57Å; Y7-Y22 WeakPolarHBondContact O-CA 3.06Å; Y7-Y22 VanDerWaalsContact O-CB 3.29Å; Y7-Y22 WeakPolarHBondContact O-CB 3.19Å; V8-Y22 VanDerWaalsContact CA-C 3.43Å; Y9-Y22 WeakPolarHBondContact CD1-O 3.46Å; Y9-Y22 WeakPolarHBondContact CE1-O 3.05Å | ||
| 23 | P | 38.8 | Very low | 31.9 | Very low | 62 Ų | 62 | 159.5 Ų | 159.5 | 40% | 0.403 | 76% | 0.76 | S | S | . | * | trans | -62.6 | 0 | -176.8 | 0.6 | -3 | 0 | 0 | 0 | 142.2 | Y7 V8 | Y7-P23 VanDerWaalsContact CA-O 3.31Å; Y7-P23 WeakPolarHBondContact CA-O 3.3Å; Y7-P23 WeakPolarHBondContact CD1-O 3.38Å; Y7-P23 WeakPolarHBondContact CE1-O 3.36Å; Y7-P23 WeakPolarHBondContact O-CD 3.44Å; V8-P23 HydrophobicContact CB-CB 3.07Å; V8-P23 HydrophobicContact CB-CG 2.65Å; V8-P23 HydrophobicContact CG1-CB 4.09Å; V8-P23 HydrophobicContact CG1-CG 4.15Å; V8-P23 HydrophobicContact CG2-CB 4.32Å; V8-P23 HydrophobicContact CG2-CG 3.18Å; V8-P23 PolarHBondContact N-O 2.8Å; V8-P23 VanDerWaalsContact O-CA 3.26Å; V8-P23 WeakPolarHBondContact O-CA 3.33Å | ||
| 24 | V | 25.9 | Very low | 32.2 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | 0 | 0 | 0 | -61.8 | 0 | 0 | 0 | 0 | 128.4 | Y7 | Y7-V24 HydrophobicContact CD1-CG1 4.31Å; Y7-V24 HydrophobicContact CE1-CG1 3.55Å | |||
| 25 | P | 9.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 154.5 Ų | 154.5 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | 0 | 0 | 0 | 45.2 | -24.9 | 0 | 0 | 0 | 129.9 | |||||
| 26 | R | 4.1 | Very low | 32 | Very low | 260 Ų | 260 | 153 Ų | 153 | 98% | 0.981 | 74% | 0.744 | S | S | * | * | 0 | 0 | 0 | -160.2 | -179.9 | 175 | -162.2 | -2.1 | 127.7 | |||||
| 27 | Q | 2.2 | Very low | 32.2 | Very low | 186 Ų | 186 | 155 Ų | 155 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | 0 | 0 | 0 | -145.8 | -123.1 | 95.7 | 0 | 0 | 126.8 | |||||
| 28 | I | 2.4 | Very low | 33.2 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | 0 | 0 | 0 | -155.6 | 163.6 | 0 | 0 | 0 | 129.2 | |||||
| 29 | S | 3.3 | Very low | 33.3 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | 0 | 0 | 0 | -161 | 0 | 0 | 0 | 0 | 128 | |||||
| 30 | M | 3.8 | Very low | 33.9 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | 0 | 0 | 0 | -150.2 | -114 | 165.1 | 0 | 0 | 128.5 | |||||
| 31 | K | 14.8 | Very low | 34.7 | Very low | 194 Ų | 194 | 142 Ų | 142 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | 0 | 0 | 0 | 168.1 | -175.4 | -175.6 | 178.1 | 0 | 127.8 | |||||
| 32 | R | 17.5 | Very low | 35.7 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 70% | 0.698 | 71% | 0.706 | S | S | * | * | 0 | 0 | 0 | -172.6 | -97.6 | 157 | 165.7 | -2.7 | 127.4 | Q34 | R32-Q34 VanDerWaalsContact CZ-OE1 3.3Å; R32-Q34 VanDerWaalsContact NH2-CD 3.27Å | |||
| 33 | I | 60.7 | Low | 36.5 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | 0 | 0 | 0 | -155.9 | 48 | 0 | 0 | 0 | 126.9 | |||||
| 34 | Q | 56.2 | Low | 37.5 | Very low | 130 Ų | 130 | 144 Ų | 144 | 61% | 0.607 | 70% | 0.704 | S | S | * | * | 0 | 0 | 0 | -149.8 | 67.3 | 77.6 | 0 | 0 | 127.8 | R32 | R32-Q34 VanDerWaalsContact CZ-OE1 3.3Å; R32-Q34 VanDerWaalsContact NH2-CD 3.27Å | |||
| 35 | D | 51.3 | Low | 39.5 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | 0 | 0 | 0 | 24.5 | -132.7 | 0 | 0 | 0 | 128.9 | |||||
| 36 | D | 52.3 | Low | 42 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 68% | 0.677 | S | S | * | * | 0 | 0 | 0 | -170.1 | 40.6 | 0 | 0 | 0 | 127.8 | |||||
| 37 | H | 57.6 | Low | 44.7 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 46% | 0.463 | 66% | 0.661 | S | S | . | * | 0 | -106.4 | 0 | -59.8 | -27.1 | 0 | 0 | 0 | 139.7 | V41 | H37-V41 HydrophobicContact CB-CG2 3.83Å; H37-V41 VanDerWaalsContact ND1-CG2 3.3Å; H37-V41 WeakPolarHBondContact ND1-CG2 3.46Å; H37-V41 WeakPolarHBondContact O-CG2 3.43Å; H37-V41 PolarHBondContact O-N 3.25Å | |||
| 38 | V | 65.4 | Low | 47.7 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 65% | 0.648 | S | S | * | * | H | α-helix | -56 | -60.4 | -122.7 | -173.2 | 0 | 0 | 0 | 0 | 123.5 | V41 R42 | V38-V41 WeakPolarHBondContact O-CB 3.41Å; V38-V41 PolarHBondContact O-N 2.92Å; V38-R42 PolarHBondContact O-N 2.92Å | |
| 39 | K | 56.7 | Low | 51.1 | Low | 144 Ų | 144 | 135.2 Ų | 135.2 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.9 | -40.9 | -178.1 | 179.1 | 179.2 | 178 | -70.9 | 0 | 110.5 | V41 R42 E43 | K39-V41 VanDerWaalsContact C-N 3.26Å; K39-V41 PolarHBondContact O-N 2.87Å; K39-R42 WeakPolarHBondContact O-CA 3.33Å; K39-R42 WeakPolarHBondContact O-CB 3.26Å; K39-R42 PolarHBondContact O-N 2.8Å; K39-E43 IonicContact NZ-OE1 3.71Å; K39-E43 PolarHBondContact NZ-OE1 3.35Å; K39-E43 IonicContact NZ-OE2 2.66Å; K39-E43 PolarHBondContact NZ-OE2 3.04Å; K39-E43 PolarHBondContact O-N 3.25Å |
| 40 | H | 59.3 | Low | 53.9 | Low | 125 Ų | 125 | 133.4 Ų | 133.4 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -58.7 | -40.9 | 173.7 | -168.9 | 36.7 | 0 | 0 | 0 | 110.5 | R42 E43 L44 | H40-R42 VanDerWaalsContact C-N 3.25Å; H40-R42 PolarHBondContact O-N 3.45Å; H40-E43 PolarHBondContact O-N 3.32Å; H40-L44 VanDerWaalsContact O-CB 3.25Å; H40-L44 WeakPolarHBondContact O-CB 3.33Å; H40-L44 WeakPolarHBondContact O-CG 3.37Å; H40-L44 PolarHBondContact O-N 2.59Å |
| 41 | V | 61.4 | Low | 56.6 | Low | 29 Ų | 29 | 127.4 Ų | 127.4 | 18% | 0.176 | 59% | 0.594 | C | S | . | * | H | α-helix | trans | -58 | -28.1 | 169 | 158.9 | 0 | 0 | 0 | 0 | 114 | H37 V38 K39 R45 | H37-V41 HydrophobicContact CB-CG2 3.83Å; H37-V41 VanDerWaalsContact ND1-CG2 3.3Å; H37-V41 WeakPolarHBondContact ND1-CG2 3.46Å; H37-V41 WeakPolarHBondContact O-CG2 3.43Å; H37-V41 PolarHBondContact O-N 3.25Å; V38-V41 WeakPolarHBondContact O-CB 3.41Å; V38-V41 PolarHBondContact O-N 2.92Å; K39-V41 VanDerWaalsContact C-N 3.26Å; K39-V41 PolarHBondContact O-N 2.87Å; V41-R45 HydrophobicContact CG1-CG 4.36Å; V41-R45 VanDerWaalsContact CG1-NE 3.32Å; V41-R45 WeakPolarHBondContact O-CB 3.28Å; V41-R45 WeakPolarHBondContact O-CD 3.48Å; V41-R45 WeakPolarHBondContact O-CG 3.4Å; V41-R45 PolarHBondContact O-N 2.65Å |
| 42 | R | 64.7 | Low | 59.2 | Low | 202 Ų | 202 | 122.4 Ų | 122.4 | 76% | 0.762 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75.7 | -39.7 | 176.4 | -162.9 | -173.5 | -67.9 | -161.8 | 1.2 | 112.2 | V38 K39 H40 | V38-R42 PolarHBondContact O-N 2.92Å; K39-R42 WeakPolarHBondContact O-CA 3.33Å; K39-R42 WeakPolarHBondContact O-CB 3.26Å; K39-R42 PolarHBondContact O-N 2.8Å; H40-R42 VanDerWaalsContact C-N 3.25Å; H40-R42 PolarHBondContact O-N 3.45Å |
| 43 | E | 59.3 | Low | 61.5 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 48% | 0.477 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.8 | -48.4 | 174 | -81.6 | 144 | -158.1 | 0 | 0 | 111.1 | K39 H40 R45 E46 E47 | K39-E43 IonicContact NZ-OE1 3.71Å; K39-E43 PolarHBondContact NZ-OE1 3.35Å; K39-E43 IonicContact NZ-OE2 2.66Å; K39-E43 PolarHBondContact NZ-OE2 3.04Å; K39-E43 PolarHBondContact O-N 3.25Å; H40-E43 PolarHBondContact O-N 3.32Å; E43-R45 VanDerWaalsContact C-N 3.25Å; E43-R45 PolarHBondContact O-N 3.24Å; E43-E46 PolarHBondContact O-N 3.12Å; E43-E47 PolarHBondContact O-N 3.22Å; E43-E47 VanDerWaalsContact O-N 3.12Å |
| 44 | L | 59.9 | Low | 61.7 | Low | 72 Ų | 72 | 113.8 Ų | 113.8 | 38% | 0.377 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -54 | -38.6 | 170.8 | -78.3 | 166.6 | 0 | 0 | 0 | 112.2 | H40 E46 H48 | H40-L44 VanDerWaalsContact O-CB 3.25Å; H40-L44 WeakPolarHBondContact O-CB 3.33Å; H40-L44 WeakPolarHBondContact O-CG 3.37Å; H40-L44 PolarHBondContact O-N 2.59Å; L44-E46 VanDerWaalsContact C-N 3.28Å; L44-E46 PolarHBondContact O-N 3.26Å; L44-H48 WeakPolarHBondContact O-CB 3.35Å; L44-H48 PolarHBondContact O-N 3.11Å |
| 45 | R | 67.4 | Low | 62.2 | Low | 179 Ų | 179 | 114.8 Ų | 114.8 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.4 | -37.8 | 177.2 | -89.7 | 168.1 | -167.8 | -168 | 6.2 | 112.6 | V41 E43 R49 | V41-R45 HydrophobicContact CG1-CG 4.36Å; V41-R45 VanDerWaalsContact CG1-NE 3.32Å; V41-R45 WeakPolarHBondContact O-CB 3.28Å; V41-R45 WeakPolarHBondContact O-CD 3.48Å; V41-R45 WeakPolarHBondContact O-CG 3.4Å; V41-R45 PolarHBondContact O-N 2.65Å; E43-R45 VanDerWaalsContact C-N 3.25Å; E43-R45 PolarHBondContact O-N 3.24Å; R45-R49 WeakPolarHBondContact O-CB 3.18Å; R45-R49 PolarHBondContact O-N 3.49Å |
| 46 | E | 61.7 | Low | 63.3 | Low | 85 Ų | 85 | 115.6 Ų | 115.6 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -81.1 | -39.4 | -177.6 | -169.1 | 57 | -161.1 | 0 | 0 | 111.7 | E43 L44 H48 R49 I50 | E43-E46 PolarHBondContact O-N 3.12Å; L44-E46 VanDerWaalsContact C-N 3.28Å; L44-E46 PolarHBondContact O-N 3.26Å; E46-H48 VanDerWaalsContact C-N 3.31Å; E46-H48 PolarHBondContact O-N 2.88Å; E46-R49 VanDerWaalsContact CD-NE 3.26Å; E46-R49 WeakPolarHBondContact O-CB 3.45Å; E46-R49 PolarHBondContact O-N 3.47Å; E46-R49 IonicContact OE1-CZ 2.67Å; E46-R49 IonicContact OE1-NE 2.63Å; E46-R49 PolarHBondContact OE1-NE 3.02Å; E46-R49 IonicContact OE1-NH2 2.69Å; E46-R49 PolarHBondContact OE1-NH2 2.91Å; E46-R49 WeakPolarHBondContact OE2-CD 3.26Å; E46-R49 IonicContact OE2-CZ 3.58Å; E46-R49 IonicContact OE2-NE 3.12Å; E46-R49 PolarHBondContact OE2-NE 3.43Å; E46-R49 IonicContact OE2-NH2 2.62Å; E46-I50 WeakPolarHBondContact O-CG1 3.49Å; E46-I50 PolarHBondContact O-N 2.83Å |
| 47 | E | 61 | Low | 64.1 | Low | 135 Ų | 135 | 116.2 Ų | 116.2 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.3 | -44.9 | 167.7 | -69 | -168.4 | 139.8 | 0 | 0 | 111.4 | E43 R49 I50 A51 | E43-E47 PolarHBondContact O-N 3.22Å; E43-E47 VanDerWaalsContact O-N 3.12Å; E47-R49 VanDerWaalsContact C-N 3.31Å; E47-R49 PolarHBondContact O-N 2.93Å; E47-I50 PolarHBondContact O-N 3.07Å; E47-A51 WeakPolarHBondContact O-CB 3.43Å; E47-A51 PolarHBondContact O-N 3.48Å |
| 48 | H | 64 | Low | 64.5 | Low | 129 Ų | 129 | 114.7 Ų | 114.7 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68 | -31 | 179 | -153.7 | 61.2 | 0 | 0 | 0 | 111.7 | L44 E46 L52 | L44-H48 WeakPolarHBondContact O-CB 3.35Å; L44-H48 PolarHBondContact O-N 3.11Å; E46-H48 VanDerWaalsContact C-N 3.31Å; E46-H48 PolarHBondContact O-N 2.88Å; H48-L52 WeakPolarHBondContact O-CB 3.45Å; H48-L52 WeakPolarHBondContact O-CD1 3.43Å; H48-L52 PolarHBondContact O-N 2.9Å |
| 49 | R | 74.6 | Confident | 64.8 | Low | 157 Ų | 157 | 112.3 Ų | 112.3 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 171.6 | -166.5 | -178.8 | 76.7 | 87.4 | 2.1 | 111.6 | R45 E46 E47 L52 A53 | R45-R49 WeakPolarHBondContact O-CB 3.18Å; R45-R49 PolarHBondContact O-N 3.49Å; E46-R49 VanDerWaalsContact CD-NE 3.26Å; E46-R49 WeakPolarHBondContact O-CB 3.45Å; E46-R49 PolarHBondContact O-N 3.47Å; E46-R49 IonicContact OE1-CZ 2.67Å; E46-R49 IonicContact OE1-NE 2.63Å; E46-R49 PolarHBondContact OE1-NE 3.02Å; E46-R49 IonicContact OE1-NH2 2.69Å; E46-R49 PolarHBondContact OE1-NH2 2.91Å; E46-R49 WeakPolarHBondContact OE2-CD 3.26Å; E46-R49 IonicContact OE2-CZ 3.58Å; E46-R49 IonicContact OE2-NE 3.12Å; E46-R49 PolarHBondContact OE2-NE 3.43Å; E46-R49 IonicContact OE2-NH2 2.62Å; E47-R49 VanDerWaalsContact C-N 3.31Å; E47-R49 PolarHBondContact O-N 2.93Å; R49-L52 PolarHBondContact O-N 3.49Å; R49-A53 PolarHBondContact O-N 3.48Å; R49-A53 VanDerWaalsContact O-N 3.11Å |
| 50 | I | 62 | Low | 65.6 | Low | 91 Ų | 91 | 110.7 Ų | 110.7 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 177.2 | -65.4 | 168.8 | 0 | 0 | 0 | 110.4 | E46 E47 L52 A53 N54 | E46-I50 WeakPolarHBondContact O-CG1 3.49Å; E46-I50 PolarHBondContact O-N 2.83Å; E47-I50 PolarHBondContact O-N 3.07Å; I50-L52 PolarHBondContact O-N 3.45Å; I50-A53 PolarHBondContact O-N 3.45Å; I50-N54 PolarHBondContact O-N 3.19Å; I50-N54 VanDerWaalsContact O-N 3.07Å |
| 51 | A | 60.9 | Low | 66.1 | Low | 53 Ų | 53 | 108 Ų | 108 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E47 A53 K55 | E47-A51 WeakPolarHBondContact O-CB 3.43Å; E47-A51 PolarHBondContact O-N 3.48Å; A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 3.2Å; A51-K55 VanDerWaalsContact O-CB 3.26Å; A51-K55 WeakPolarHBondContact O-CB 3.35Å; A51-K55 PolarHBondContact O-N 3.2Å |
| 52 | L | 69 | Low | 66.4 | Low | 89 Ų | 89 | 112.7 Ų | 112.7 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 174 | -108.2 | 80.6 | 0 | 0 | 0 | 112.3 | H48 R49 I50 K55 K56 | H48-L52 WeakPolarHBondContact O-CB 3.45Å; H48-L52 WeakPolarHBondContact O-CD1 3.43Å; H48-L52 PolarHBondContact O-N 2.9Å; R49-L52 PolarHBondContact O-N 3.49Å; I50-L52 PolarHBondContact O-N 3.45Å; L52-K55 PolarHBondContact O-N 2.99Å; L52-K56 WeakPolarHBondContact O-CB 3.03Å; L52-K56 WeakPolarHBondContact O-CG 3.31Å; L52-K56 PolarHBondContact O-N 3.29Å |
| 53 | A | 66.5 | Low | 67 | Low | 55 Ų | 55 | 108.7 Ų | 108.7 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R49 I50 A51 K56 K57 | R49-A53 PolarHBondContact O-N 3.48Å; R49-A53 VanDerWaalsContact O-N 3.11Å; I50-A53 PolarHBondContact O-N 3.45Å; A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 3.2Å; A53-K56 PolarHBondContact O-N 2.99Å; A53-K57 PolarHBondContact O-N 3.09Å |
| 54 | N | 64.6 | Low | 67.8 | Low | 107 Ų | 107 | 110.3 Ų | 110.3 | 57% | 0.572 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67 | -42.4 | 176.5 | -72.3 | -13.5 | 0 | 0 | 0 | 111.7 | I50 K56 K57 S58 | I50-N54 PolarHBondContact O-N 3.19Å; I50-N54 VanDerWaalsContact O-N 3.07Å; N54-K56 PolarHBondContact O-N 3.27Å; N54-K57 PolarHBondContact O-N 3.49Å; N54-S58 PolarHBondContact O-N 3.37Å; N54-S58 VanDerWaalsContact O-N 3.09Å |
| 55 | K | 67.5 | Low | 68.5 | Low | 150 Ų | 150 | 111.7 Ų | 111.7 | 65% | 0.652 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.9 | -40.2 | 176.9 | -165.6 | 167 | -173.5 | 173 | 0 | 112.2 | A51 L52 K57 S58 N59 | A51-K55 VanDerWaalsContact O-CB 3.26Å; A51-K55 WeakPolarHBondContact O-CB 3.35Å; A51-K55 PolarHBondContact O-N 3.2Å; L52-K55 PolarHBondContact O-N 2.99Å; K55-K57 PolarHBondContact O-N 3.16Å; K55-S58 PolarHBondContact O-N 3.38Å; K55-N59 PolarHBondContact O-N 3.14Å; K55-N59 PolarHBondContact O-OD1 3.2Å |
| 56 | K | 73.7 | Confident | 68.9 | Low | 148 Ų | 148 | 109 Ų | 109 | 64% | 0.643 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.8 | -41.4 | 172.7 | -84 | -170.2 | 172.4 | -171.7 | 0 | 112.9 | L52 A53 N54 N60 | L52-K56 WeakPolarHBondContact O-CB 3.03Å; L52-K56 WeakPolarHBondContact O-CG 3.31Å; L52-K56 PolarHBondContact O-N 3.29Å; A53-K56 PolarHBondContact O-N 2.99Å; N54-K56 PolarHBondContact O-N 3.27Å; K56-N60 PolarHBondContact O-N 3.11Å; K56-N60 VanDerWaalsContact O-N 3.16Å; K56-N60 PolarHBondContact O-OD1 3.49Å |
| 57 | K | 69.2 | Low | 69.7 | Low | 165 Ų | 165 | 114 Ų | 114 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.5 | -44.3 | 175.4 | -81.1 | -169.4 | 171.5 | -173.2 | 0 | 112.3 | A53 N54 K55 N60 S61 | A53-K57 PolarHBondContact O-N 3.09Å; N54-K57 PolarHBondContact O-N 3.49Å; K55-K57 PolarHBondContact O-N 3.16Å; K57-N60 PolarHBondContact O-N 3.05Å; K57-S61 PolarHBondContact O-N 3.39Å |
| 58 | S | 65.8 | Low | 70.5 | Confident | 68 Ų | 68 | 112.2 Ų | 112.2 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.7 | -52.8 | 177.8 | -161 | 0 | 0 | 0 | 0 | 111.7 | N54 K55 N60 S61 E62 | N54-S58 PolarHBondContact O-N 3.37Å; N54-S58 VanDerWaalsContact O-N 3.09Å; K55-S58 PolarHBondContact O-N 3.38Å; S58-N60 VanDerWaalsContact C-N 3.3Å; S58-N60 PolarHBondContact O-N 3.48Å; S58-S61 PolarHBondContact O-N 3.48Å; S58-S61 VanDerWaalsContact O-N 3.11Å; S58-E62 PolarHBondContact O-N 3.39Å |
| 59 | N | 71.6 | Confident | 71.1 | Confident | 73 Ų | 73 | 111.1 Ų | 111.1 | 39% | 0.39 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.4 | -39 | -179.3 | -81.5 | 64.3 | 0 | 0 | 0 | 112.9 | K55 L63 | K55-N59 PolarHBondContact O-N 3.14Å; K55-N59 PolarHBondContact O-OD1 3.2Å; N59-L63 VanDerWaalsContact O-CG 3.28Å; N59-L63 WeakPolarHBondContact O-CG 3.43Å; N59-L63 PolarHBondContact O-N 2.98Å; N59-L63 VanDerWaalsContact O-N 3.14Å |
| 60 | N | 73.2 | Confident | 71.2 | Confident | 110 Ų | 110 | 108.6 Ų | 108.6 | 59% | 0.588 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 177.7 | -81 | 22 | 0 | 0 | 0 | 112.1 | K56 K57 S58 L63 E64 | K56-N60 PolarHBondContact O-N 3.11Å; K56-N60 VanDerWaalsContact O-N 3.16Å; K56-N60 PolarHBondContact O-OD1 3.49Å; K57-N60 PolarHBondContact O-N 3.05Å; S58-N60 VanDerWaalsContact C-N 3.3Å; S58-N60 PolarHBondContact O-N 3.48Å; N60-L63 PolarHBondContact O-N 3.29Å; N60-E64 PolarHBondContact O-N 3.48Å |
| 61 | S | 69.4 | Low | 72.2 | Confident | 69 Ų | 69 | 109.5 Ų | 109.5 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.9 | -35.9 | -179.6 | -169.5 | 0 | 0 | 0 | 0 | 112.8 | K57 S58 N65 | K57-S61 PolarHBondContact O-N 3.39Å; S58-S61 PolarHBondContact O-N 3.48Å; S58-S61 VanDerWaalsContact O-N 3.11Å; S61-N65 PolarHBondContact O-N 3.36Å; S61-N65 PolarHBondContact O-ND2 2.65Å |
| 62 | E | 68.9 | Low | 73.1 | Confident | 127 Ų | 127 | 112.2 Ų | 112.2 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.5 | -42.3 | 174.8 | -70.2 | -178.2 | 125.5 | 0 | 0 | 111.6 | S58 E64 N65 K66 | S58-E62 PolarHBondContact O-N 3.39Å; E62-E64 PolarHBondContact O-N 3.44Å; E62-N65 PolarHBondContact O-N 3.17Å; E62-K66 WeakPolarHBondContact O-CB 2.83Å; E62-K66 PolarHBondContact O-N 3.31Å |
| 63 | L | 76.8 | Confident | 73.4 | Confident | 119 Ų | 119 | 114 Ų | 114 | 62% | 0.623 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -38.3 | 178.2 | -73.6 | 169.6 | 0 | 0 | 0 | 112.7 | N59 N60 K66 R67 | N59-L63 VanDerWaalsContact O-CG 3.28Å; N59-L63 WeakPolarHBondContact O-CG 3.43Å; N59-L63 PolarHBondContact O-N 2.98Å; N59-L63 VanDerWaalsContact O-N 3.14Å; N60-L63 PolarHBondContact O-N 3.29Å; L63-K66 PolarHBondContact O-N 3.27Å; L63-R67 WeakPolarHBondContact O-CB 2.95Å; L63-R67 PolarHBondContact O-N 3.09Å; L63-R67 VanDerWaalsContact O-N 3.09Å |
| 64 | E | 77.1 | Confident | 74.1 | Confident | 135 Ų | 135 | 116.6 Ų | 116.6 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.9 | -43.8 | 178.8 | -168.9 | 155.1 | -145.5 | 0 | 0 | 111.6 | N60 E62 K66 R67 N68 | N60-E64 PolarHBondContact O-N 3.48Å; E62-E64 PolarHBondContact O-N 3.44Å; E64-K66 PolarHBondContact O-N 3.43Å; E64-R67 PolarHBondContact O-N 3.44Å; E64-N68 PolarHBondContact O-N 3.41Å; E64-N68 PolarHBondContact O-ND2 3.23Å |
| 65 | N | 74.6 | Confident | 74.9 | Confident | 102 Ų | 102 | 115.6 Ų | 115.6 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.6 | -46.3 | 172.1 | -72.9 | -18.2 | 0 | 0 | 0 | 111.9 | S61 E62 R67 N68 E69 | S61-N65 PolarHBondContact O-N 3.36Å; S61-N65 PolarHBondContact O-ND2 2.65Å; E62-N65 PolarHBondContact O-N 3.17Å; N65-R67 PolarHBondContact O-N 3.38Å; N65-N68 PolarHBondContact O-N 3.32Å; N65-E69 PolarHBondContact O-N 3.4Å |
| 66 | K | 73.9 | Confident | 75.5 | Confident | 123 Ų | 123 | 114.6 Ų | 114.6 | 54% | 0.535 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.3 | -28.7 | -178.8 | -154.4 | 74.6 | -157.4 | 153.8 | 0 | 113.1 | E62 L63 E64 E69 | E62-K66 WeakPolarHBondContact O-CB 2.83Å; E62-K66 PolarHBondContact O-N 3.31Å; L63-K66 PolarHBondContact O-N 3.27Å; E64-K66 PolarHBondContact O-N 3.43Å; K66-E69 WeakPolarHBondContact CD-OE2 3.26Å; K66-E69 VanDerWaalsContact CE-OE2 3.26Å; K66-E69 WeakPolarHBondContact CE-OE2 3.29Å; K66-E69 IonicContact NZ-OE2 3.95Å; K66-E69 PolarHBondContact NZ-OE2 3.03Å |
| 67 | R | 79.5 | Confident | 75.8 | Confident | 188 Ų | 188 | 113.1 Ų | 113.1 | 71% | 0.709 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70 | -37.6 | 175.9 | -171.4 | 176.1 | -174.9 | 164.9 | 2.3 | 112.4 | L63 E64 N65 Q71 | L63-R67 WeakPolarHBondContact O-CB 2.95Å; L63-R67 PolarHBondContact O-N 3.09Å; L63-R67 VanDerWaalsContact O-N 3.09Å; E64-R67 PolarHBondContact O-N 3.44Å; N65-R67 PolarHBondContact O-N 3.38Å; R67-Q71 PolarHBondContact O-N 3.11Å |
| 68 | N | 77.8 | Confident | 76.5 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71 | -34.7 | -178.4 | -65.7 | -23.7 | 0 | 0 | 0 | 112.4 | E64 N65 | E64-N68 PolarHBondContact O-N 3.41Å; E64-N68 PolarHBondContact O-ND2 3.23Å; N65-N68 PolarHBondContact O-N 3.32Å |
| 69 | E | 75.9 | Confident | 77.3 | Confident | 106 Ų | 106 | 114.5 Ų | 114.5 | 50% | 0.495 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.8 | -51.9 | 174 | -67.8 | 177.4 | 141.2 | 0 | 0 | 111.8 | N65 K66 Q71 L72 E73 | N65-E69 PolarHBondContact O-N 3.4Å; K66-E69 WeakPolarHBondContact CD-OE2 3.26Å; K66-E69 VanDerWaalsContact CE-OE2 3.26Å; K66-E69 WeakPolarHBondContact CE-OE2 3.29Å; K66-E69 IonicContact NZ-OE2 3.95Å; K66-E69 PolarHBondContact NZ-OE2 3.03Å; E69-Q71 VanDerWaalsContact C-N 3.3Å; E69-Q71 PolarHBondContact O-N 3.47Å; E69-L72 WeakPolarHBondContact O-CB 3.45Å; E69-L72 PolarHBondContact O-N 2.6Å; E69-L72 VanDerWaalsContact O-N 3.11Å; E69-E73 PolarHBondContact O-N 3.43Å |
| 70 | L | 78.1 | Confident | 77.7 | Confident | 104 Ų | 104 | 114 Ų | 114 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.2 | -35 | -176.1 | -70.6 | 169.3 | 0 | 0 | 0 | 113.1 | L72 E73 E74 | L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 3.24Å; L70-E73 PolarHBondContact O-N 3.34Å; L70-E74 PolarHBondContact O-N 3.22Å |
| 71 | Q | 81.1 | Confident | 78.3 | Confident | 110 Ų | 110 | 112.9 Ų | 112.9 | 51% | 0.514 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -32.4 | 177.9 | -173.7 | 173 | -28.3 | 0 | 0 | 112.1 | R67 E69 E75 | R67-Q71 PolarHBondContact O-N 3.11Å; E69-Q71 VanDerWaalsContact C-N 3.3Å; E69-Q71 PolarHBondContact O-N 3.47Å; Q71-E75 PolarHBondContact O-N 3.38Å |
| 72 | L | 79.8 | Confident | 79 | Confident | 110 Ų | 110 | 116 Ų | 116 | 58% | 0.576 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.9 | -36.6 | 178.9 | -167.9 | 69.9 | 0 | 0 | 0 | 112.2 | E69 L70 Q76 | E69-L72 WeakPolarHBondContact O-CB 3.45Å; E69-L72 PolarHBondContact O-N 2.6Å; E69-L72 VanDerWaalsContact O-N 3.11Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 3.24Å; L72-Q76 WeakPolarHBondContact O-CG 2.71Å; L72-Q76 PolarHBondContact O-N 3.11Å |
| 73 | E | 77.3 | Confident | 79.7 | Confident | 126 Ų | 126 | 115.1 Ų | 115.1 | 59% | 0.589 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -41.3 | 176.5 | -65 | -174.2 | 148.4 | 0 | 0 | 111.9 | E69 L70 E75 Q76 L77 | E69-E73 PolarHBondContact O-N 3.43Å; L70-E73 PolarHBondContact O-N 3.34Å; E73-E75 VanDerWaalsContact C-N 3.32Å; E73-E75 PolarHBondContact O-N 3.29Å; E73-Q76 PolarHBondContact O-N 2.88Å; E73-L77 PolarHBondContact O-N 3.3Å |
| 74 | E | 80.2 | Confident | 80.2 | Confident | 110 Ų | 110 | 114.7 Ų | 114.7 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 179.2 | -162.9 | -168.6 | 154.5 | 0 | 0 | 112.3 | L70 K78 | L70-E74 PolarHBondContact O-N 3.22Å; E74-K78 WeakPolarHBondContact O-CG 3.32Å; E74-K78 PolarHBondContact O-N 3.41Å; E74-K78 WeakPolarHBondContact OE1-CE 3.23Å; E74-K78 IonicContact OE1-NZ 2.71Å; E74-K78 PolarHBondContact OE1-NZ 3.06Å |
| 75 | E | 81.5 | Confident | 80.6 | Confident | 86 Ų | 86 | 113 Ų | 113 | 40% | 0.402 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.9 | -32.7 | 177.1 | -79.3 | -164.1 | -152.7 | 0 | 0 | 113.9 | Q71 E73 R79 | Q71-E75 PolarHBondContact O-N 3.38Å; E73-E75 VanDerWaalsContact C-N 3.32Å; E73-E75 PolarHBondContact O-N 3.29Å; E75-R79 WeakPolarHBondContact O-CG 3.17Å; E75-R79 IonicContact OE2-NH2 3.32Å; E75-R79 PolarHBondContact OE2-NH2 3.29Å |
| 76 | Q | 80.1 | Confident | 81.2 | Confident | 129 Ų | 129 | 113.6 Ų | 113.6 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.9 | -44.4 | 178.9 | -67.9 | -179 | 25 | 0 | 0 | 111.2 | L72 E73 K78 R79 S80 | L72-Q76 WeakPolarHBondContact O-CG 2.71Å; L72-Q76 PolarHBondContact O-N 3.11Å; E73-Q76 PolarHBondContact O-N 2.88Å; Q76-K78 PolarHBondContact O-N 3.33Å; Q76-R79 PolarHBondContact O-N 3.29Å; Q76-S80 PolarHBondContact O-N 3.35Å |
| 77 | L | 79.8 | Confident | 81.8 | Confident | 117 Ų | 117 | 112.4 Ų | 112.4 | 61% | 0.613 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.7 | -43 | 178.3 | -102.2 | 154.5 | 0 | 0 | 0 | 112.7 | E73 R79 S80 I81 | E73-L77 PolarHBondContact O-N 3.3Å; L77-R79 PolarHBondContact O-N 3.41Å; L77-S80 PolarHBondContact O-N 2.67Å; L77-I81 PolarHBondContact O-N 3.27Å |
| 78 | K | 84.5 | Confident | 82.1 | Confident | 111 Ų | 111 | 110 Ų | 110 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 178.7 | -74 | 172.4 | -176.3 | 168.1 | 0 | 113.1 | E74 Q76 Q82 | E74-K78 WeakPolarHBondContact O-CG 3.32Å; E74-K78 PolarHBondContact O-N 3.41Å; E74-K78 WeakPolarHBondContact OE1-CE 3.23Å; E74-K78 IonicContact OE1-NZ 2.71Å; E74-K78 PolarHBondContact OE1-NZ 3.06Å; Q76-K78 PolarHBondContact O-N 3.33Å; K78-Q82 WeakPolarHBondContact O-CG 3.4Å; K78-Q82 PolarHBondContact O-N 3.3Å |
| 79 | R | 82.1 | Confident | 82.5 | Confident | 152 Ų | 152 | 112.7 Ų | 112.7 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.8 | -37.4 | 179.4 | -62.7 | 176 | -155.8 | -159.8 | 5.6 | 111.9 | E75 Q76 L77 Q82 N83 | E75-R79 WeakPolarHBondContact O-CG 3.17Å; E75-R79 IonicContact OE2-NH2 3.32Å; E75-R79 PolarHBondContact OE2-NH2 3.29Å; Q76-R79 PolarHBondContact O-N 3.29Å; L77-R79 PolarHBondContact O-N 3.41Å; R79-Q82 PolarHBondContact O-N 3.22Å; R79-N83 PolarHBondContact O-N 3.42Å |
| 80 | S | 81 | Confident | 83.1 | Confident | 63 Ų | 63 | 112.3 Ų | 112.3 | 44% | 0.441 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | Q76 L77 N83 M84 | Q76-S80 PolarHBondContact O-N 3.35Å; L77-S80 PolarHBondContact O-N 2.67Å; S80-N83 PolarHBondContact O-N 3.37Å; S80-M84 PolarHBondContact O-N 3.17Å |
| 81 | I | 84.6 | Confident | 83.5 | Confident | 86 Ų | 86 | 114 Ų | 114 | 44% | 0.441 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 178.9 | -63.8 | 169.4 | 0 | 0 | 0 | 111.2 | L77 N83 M84 E85 | L77-I81 PolarHBondContact O-N 3.27Å; I81-N83 VanDerWaalsContact C-N 3.29Å; I81-N83 PolarHBondContact O-N 3.31Å; I81-M84 HydrophobicContact CG1-CE 4.5Å; I81-M84 PolarHBondContact O-N 3.35Å; I81-E85 PolarHBondContact O-N 3.44Å; I81-E85 VanDerWaalsContact O-N 3.17Å |
| 82 | Q | 85.2 | Confident | 83.7 | Confident | 134 Ų | 134 | 111.1 Ų | 111.1 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -34.8 | -178.8 | -73.7 | 176.6 | -26.7 | 0 | 0 | 113.4 | K78 R79 H86 | K78-Q82 WeakPolarHBondContact O-CG 3.4Å; K78-Q82 PolarHBondContact O-N 3.3Å; R79-Q82 PolarHBondContact O-N 3.22Å; Q82-H86 PolarHBondContact O-N 3.44Å |
| 83 | N | 83.9 | Confident | 84.1 | Confident | 108 Ų | 108 | 111.5 Ų | 111.5 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.6 | -46 | 176.9 | -69.9 | -2.5 | 0 | 0 | 0 | 111.8 | R79 S80 I81 E85 H86 D87 | R79-N83 PolarHBondContact O-N 3.42Å; S80-N83 PolarHBondContact O-N 3.37Å; I81-N83 VanDerWaalsContact C-N 3.29Å; I81-N83 PolarHBondContact O-N 3.31Å; N83-E85 VanDerWaalsContact C-N 3.3Å; N83-E85 PolarHBondContact O-N 2.97Å; N83-H86 VanDerWaalsContact O-CB 3.32Å; N83-H86 WeakPolarHBondContact O-CB 3.35Å; N83-H86 PolarHBondContact O-N 3.34Å; N83-D87 PolarHBondContact O-N 3.48Å |
| 84 | M | 85.8 | Confident | 84.5 | Confident | 110 Ų | 110 | 111 Ų | 111 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 179.8 | -66.9 | -175.7 | -70.7 | 0 | 0 | 112.4 | S80 I81 H86 M88 | S80-M84 PolarHBondContact O-N 3.17Å; I81-M84 HydrophobicContact CG1-CE 4.5Å; I81-M84 PolarHBondContact O-N 3.35Å; M84-H86 VanDerWaalsContact C-N 3.26Å; M84-H86 PolarHBondContact O-N 3.4Å; M84-M88 PolarHBondContact O-N 3.26Å |
| 85 | E | 86.3 | Confident | 84.7 | Confident | 100 Ų | 100 | 112.6 Ų | 112.6 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -25.5 | 173.1 | -79.3 | -163.1 | -148.1 | 0 | 0 | 113.9 | I81 N83 R89 | I81-E85 PolarHBondContact O-N 3.44Å; I81-E85 VanDerWaalsContact O-N 3.17Å; N83-E85 VanDerWaalsContact C-N 3.3Å; N83-E85 PolarHBondContact O-N 2.97Å; E85-R89 VanDerWaalsContact O-CD 3.23Å; E85-R89 WeakPolarHBondContact O-CD 3.33Å; E85-R89 WeakPolarHBondContact O-CG 3.47Å; E85-R89 PolarHBondContact O-NE 3.47Å; E85-R89 IonicContact OE2-CZ 2.74Å; E85-R89 IonicContact OE2-NH2 2.69Å; E85-R89 PolarHBondContact OE2-NH2 3.31Å |
| 86 | H | 87 | Confident | 84.9 | Confident | 115 Ų | 115 | 114.8 Ų | 114.8 | 53% | 0.532 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.6 | -50.2 | 178.3 | -174 | 82.6 | 0 | 0 | 0 | 111 | Q82 N83 M84 M88 R89 M90 | Q82-H86 PolarHBondContact O-N 3.44Å; N83-H86 VanDerWaalsContact O-CB 3.32Å; N83-H86 WeakPolarHBondContact O-CB 3.35Å; N83-H86 PolarHBondContact O-N 3.34Å; M84-H86 VanDerWaalsContact C-N 3.26Å; M84-H86 PolarHBondContact O-N 3.4Å; H86-M88 PolarHBondContact O-N 3.25Å; H86-R89 PolarHBondContact O-N 3.42Å; H86-R89 VanDerWaalsContact O-N 3.11Å; H86-M90 PolarHBondContact O-N 3.11Å |
| 87 | D | 86 | Confident | 85.3 | Confident | 98 Ų | 98 | 116.6 Ų | 116.6 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.8 | -42.9 | -173.6 | -63.8 | -23.8 | 0 | 0 | 0 | 112.1 | N83 R89 M90 Q91 | N83-D87 PolarHBondContact O-N 3.48Å; D87-R89 VanDerWaalsContact C-N 3.28Å; D87-R89 PolarHBondContact O-N 3.44Å; D87-M90 PolarHBondContact O-N 3.12Å; D87-Q91 PolarHBondContact O-N 3.42Å; D87-Q91 VanDerWaalsContact O-N 3.12Å |
| 88 | M | 85.9 | Confident | 85.8 | Confident | 138 Ų | 138 | 114.5 Ų | 114.5 | 68% | 0.68 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.5 | -37 | 175.6 | -68.5 | -174.4 | 71.2 | 0 | 0 | 112.7 | M84 H86 M90 A92 | M84-M88 PolarHBondContact O-N 3.26Å; H86-M88 PolarHBondContact O-N 3.25Å; M88-M90 VanDerWaalsContact C-N 3.25Å; M88-M90 PolarHBondContact O-N 3.44Å; M88-A92 PolarHBondContact O-N 3.04Å |
| 89 | R | 86.5 | Confident | 86 | Confident | 154 Ų | 154 | 114 Ų | 114 | 58% | 0.581 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -75 | -14 | 178.1 | -65.6 | 171.8 | -162.9 | -149.9 | 9.4 | 113.1 | E85 H86 D87 K93 | E85-R89 VanDerWaalsContact O-CD 3.23Å; E85-R89 WeakPolarHBondContact O-CD 3.33Å; E85-R89 WeakPolarHBondContact O-CG 3.47Å; E85-R89 PolarHBondContact O-NE 3.47Å; E85-R89 IonicContact OE2-CZ 2.74Å; E85-R89 IonicContact OE2-NH2 2.69Å; E85-R89 PolarHBondContact OE2-NH2 3.31Å; H86-R89 PolarHBondContact O-N 3.42Å; H86-R89 VanDerWaalsContact O-N 3.11Å; D87-R89 VanDerWaalsContact C-N 3.28Å; D87-R89 PolarHBondContact O-N 3.44Å; R89-K93 WeakPolarHBondContact O-CD 3.37Å; R89-K93 WeakPolarHBondContact O-CE 3.25Å; R89-K93 WeakPolarHBondContact O-CG 3.39Å |
| 90 | M | 88 | Confident | 86.4 | Confident | 97 Ų | 97 | 111.8 Ų | 111.8 | 48% | 0.478 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -89 | -43.7 | 174.9 | -69.8 | -57.7 | -63.9 | 0 | 0 | 111.3 | H86 D87 M88 A92 K93 | H86-M90 PolarHBondContact O-N 3.11Å; D87-M90 PolarHBondContact O-N 3.12Å; M88-M90 VanDerWaalsContact C-N 3.25Å; M88-M90 PolarHBondContact O-N 3.44Å; M90-A92 PolarHBondContact O-N 3.23Å; M90-K93 PolarHBondContact O-N 3.07Å |
| 91 | Q | 86.4 | Confident | 86.9 | Confident | 140 Ų | 140 | 115 Ų | 115 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.6 | -50.4 | 177.3 | -70.7 | 179.8 | -25 | 0 | 0 | 112.4 | D87 K93 E94 E95 | D87-Q91 PolarHBondContact O-N 3.42Å; D87-Q91 VanDerWaalsContact O-N 3.12Å; Q91-K93 PolarHBondContact O-N 3.4Å; Q91-E94 PolarHBondContact O-N 3.26Å; Q91-E95 PolarHBondContact O-N 3.39Å |
| 92 | A | 86.1 | Confident | 87.2 | Confident | 50 Ų | 50 | 117.7 Ų | 117.7 | 41% | 0.413 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -17.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M88 M90 Q96 | M88-A92 PolarHBondContact O-N 3.04Å; M90-A92 PolarHBondContact O-N 3.23Å; A92-Q96 WeakPolarHBondContact O-CG 3.02Å |
| 93 | K | 87.5 | Confident | 87.5 | Confident | 117 Ų | 117 | 118.2 Ų | 118.2 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -83 | -26.8 | 174.5 | -72.2 | 174.6 | -176.6 | 171.9 | 0 | 112.9 | R89 M90 Q91 R97 | R89-K93 WeakPolarHBondContact O-CD 3.37Å; R89-K93 WeakPolarHBondContact O-CE 3.25Å; R89-K93 WeakPolarHBondContact O-CG 3.39Å; M90-K93 PolarHBondContact O-N 3.07Å; Q91-K93 PolarHBondContact O-N 3.4Å; K93-R97 WeakPolarHBondContact O-CD 3.29Å; K93-R97 WeakPolarHBondContact O-CG 3.44Å; K93-R97 PolarHBondContact O-N 3.43Å |
| 94 | E | 86.5 | Confident | 87.8 | Confident | 116 Ų | 116 | 117.7 Ų | 117.7 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -83.2 | -38.9 | -175.7 | -160.3 | 63.4 | -172.1 | 0 | 0 | 111.1 | Q91 Q96 R97 S98 | Q91-E94 PolarHBondContact O-N 3.26Å; E94-Q96 VanDerWaalsContact C-N 3.34Å; E94-Q96 PolarHBondContact O-N 3.27Å; E94-R97 WeakPolarHBondContact O-CB 3.42Å; E94-R97 PolarHBondContact O-N 3.2Å; E94-R97 VanDerWaalsContact O-N 3.09Å; E94-R97 WeakPolarHBondContact OE2-CD 3.32Å; E94-R97 IonicContact OE2-NH1 2.59Å; E94-S98 PolarHBondContact O-N 3.2Å; E94-S98 VanDerWaalsContact O-N 3.14Å |
| 95 | E | 84.5 | Confident | 88.1 | Confident | 143 Ų | 143 | 116.9 Ų | 116.9 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.5 | -48 | 170.6 | -64.5 | -178.8 | 149.6 | 0 | 0 | 111.2 | Q91 R97 S98 D99 | Q91-E95 PolarHBondContact O-N 3.39Å; E95-R97 PolarHBondContact O-N 3.14Å; E95-S98 PolarHBondContact O-N 3.09Å; E95-D99 PolarHBondContact O-N 3Å |
| 96 | Q | 86.3 | Confident | 88.4 | Confident | 133 Ų | 133 | 115.4 Ų | 115.4 | 62% | 0.621 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.1 | -27.8 | 176.7 | -73.8 | -176.7 | -4.6 | 0 | 0 | 113.7 | A92 E94 I100 | A92-Q96 WeakPolarHBondContact O-CG 3.02Å; E94-Q96 VanDerWaalsContact C-N 3.34Å; E94-Q96 PolarHBondContact O-N 3.27Å; Q96-I100 VanDerWaalsContact O-CD1 3.29Å; Q96-I100 WeakPolarHBondContact O-CD1 3.09Å; Q96-I100 VanDerWaalsContact O-CG1 3.25Å; Q96-I100 WeakPolarHBondContact O-CG1 3.11Å |
| 97 | R | 88.3 | Confident | 88.7 | Confident | 167 Ų | 167 | 116.8 Ų | 116.8 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.4 | -43.5 | 176.6 | -77.1 | 167.3 | 158.7 | -149.2 | -10.7 | 111.9 | K93 E94 E95 D99 I100 E101 | K93-R97 WeakPolarHBondContact O-CD 3.29Å; K93-R97 WeakPolarHBondContact O-CG 3.44Å; K93-R97 PolarHBondContact O-N 3.43Å; E94-R97 WeakPolarHBondContact O-CB 3.42Å; E94-R97 PolarHBondContact O-N 3.2Å; E94-R97 VanDerWaalsContact O-N 3.09Å; E94-R97 WeakPolarHBondContact OE2-CD 3.32Å; E94-R97 IonicContact OE2-NH1 2.59Å; E95-R97 PolarHBondContact O-N 3.14Å; R97-D99 PolarHBondContact O-N 3.5Å; R97-I100 PolarHBondContact O-N 3.04Å; R97-E101 PolarHBondContact O-N 3.47Å |
| 98 | S | 88.8 | Confident | 88.9 | Confident | 73 Ų | 73 | 118.6 Ų | 118.6 | 51% | 0.51 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.4 | -41.1 | -178.1 | -164.8 | 0 | 0 | 0 | 0 | 112.3 | E94 E95 I100 E101 K102 | E94-S98 PolarHBondContact O-N 3.2Å; E94-S98 VanDerWaalsContact O-N 3.14Å; E95-S98 PolarHBondContact O-N 3.09Å; S98-I100 PolarHBondContact O-N 3.46Å; S98-E101 PolarHBondContact O-N 3Å; S98-K102 WeakPolarHBondContact O-CB 3.35Å; S98-K102 PolarHBondContact O-N 3.32Å |
| 99 | D | 88.7 | Confident | 89.2 | Confident | 99 Ų | 99 | 117.3 Ų | 117.3 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.4 | -38 | 176.2 | -82.5 | -23.6 | 0 | 0 | 0 | 112.8 | E95 R97 H103 | E95-D99 PolarHBondContact O-N 3Å; R97-D99 PolarHBondContact O-N 3.5Å; D99-H103 WeakPolarHBondContact O-CB 3.48Å; D99-H103 PolarHBondContact O-CD2 3.01Å; D99-H103 PolarHBondContact O-N 3.06Å |
| 100 | I | 91.1 | Very high | 89.5 | Confident | 107 Ų | 107 | 113.9 Ų | 113.9 | 55% | 0.549 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 176.3 | -69.5 | 169.7 | 0 | 0 | 0 | 110.7 | Q96 R97 S98 K102 H103 E104 | Q96-I100 VanDerWaalsContact O-CD1 3.29Å; Q96-I100 WeakPolarHBondContact O-CD1 3.09Å; Q96-I100 VanDerWaalsContact O-CG1 3.25Å; Q96-I100 WeakPolarHBondContact O-CG1 3.11Å; R97-I100 PolarHBondContact O-N 3.04Å; S98-I100 PolarHBondContact O-N 3.46Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.95Å; I100-H103 PolarHBondContact O-N 3.46Å; I100-E104 PolarHBondContact O-N 3.18Å |
| 101 | E | 91.7 | Very high | 89.7 | Confident | 130 Ų | 130 | 113 Ų | 113 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 179.2 | -178.5 | 171.6 | -152.9 | 0 | 0 | 111.5 | R97 S98 H103 E104 L105 | R97-E101 PolarHBondContact O-N 3.47Å; S98-E101 PolarHBondContact O-N 3Å; E101-H103 PolarHBondContact O-N 3.23Å; E101-E104 PolarHBondContact O-N 3.37Å; E101-L105 HydrophobicContact CG-CD1 4.34Å; E101-L105 WeakPolarHBondContact O-CG 3.36Å; E101-L105 PolarHBondContact O-N 3.22Å |
| 102 | K | 90.7 | Very high | 90 | Very high | 142 Ų | 142 | 112.4 Ų | 112.4 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.8 | -43.4 | 176.4 | -174.2 | 179.1 | 178.8 | -176.5 | 0 | 112.6 | S98 I100 L105 T106 | S98-K102 WeakPolarHBondContact O-CB 3.35Å; S98-K102 PolarHBondContact O-N 3.32Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.95Å; K102-L105 PolarHBondContact O-N 3.31Å; K102-T106 PolarHBondContact O-N 3.26Å |
| 103 | H | 91.3 | Very high | 90.2 | Very high | 146 Ų | 146 | 116.1 Ų | 116.1 | 68% | 0.676 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.9 | -33.6 | 176.2 | -89.2 | -60.9 | 0 | 0 | 0 | 113.1 | D99 I100 E101 K107 | D99-H103 WeakPolarHBondContact O-CB 3.48Å; D99-H103 PolarHBondContact O-CD2 3.01Å; D99-H103 PolarHBondContact O-N 3.06Å; I100-H103 PolarHBondContact O-N 3.46Å; E101-H103 PolarHBondContact O-N 3.23Å; H103-K107 WeakPolarHBondContact O-CB 3.41Å; H103-K107 PolarHBondContact O-N 3.43Å |
| 104 | E | 91.2 | Very high | 90.3 | Very high | 97 Ų | 97 | 116.1 Ų | 116.1 | 45% | 0.453 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 172.8 | -79.3 | -154.6 | -165.1 | 0 | 0 | 112.9 | I100 E101 K107 R108 | I100-E104 PolarHBondContact O-N 3.18Å; E101-E104 PolarHBondContact O-N 3.37Å; E104-K107 PolarHBondContact O-N 2.73Å; E104-R108 WeakPolarHBondContact O-CG 3.38Å; E104-R108 PolarHBondContact O-N 3.05Å; E104-R108 IonicContact OE2-CZ 3.84Å; E104-R108 IonicContact OE2-NH2 3.98Å; E104-R108 PolarHBondContact OE2-NH2 3.29Å |
| 105 | L | 91.5 | Very high | 90.6 | Very high | 93 Ų | 93 | 116.1 Ų | 116.1 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62 | -54.9 | -179.9 | -72.2 | 170 | 0 | 0 | 0 | 111.7 | E101 K102 K107 R108 E109 | E101-L105 HydrophobicContact CG-CD1 4.34Å; E101-L105 WeakPolarHBondContact O-CG 3.36Å; E101-L105 PolarHBondContact O-N 3.22Å; K102-L105 PolarHBondContact O-N 3.31Å; L105-K107 PolarHBondContact O-N 3.18Å; L105-R108 WeakPolarHBondContact O-CB 3.47Å; L105-R108 PolarHBondContact O-N 3.38Å; L105-E109 PolarHBondContact O-N 2.97Å |
| 106 | T | 92.3 | Very high | 90.9 | Very high | 68 Ų | 68 | 115.3 Ų | 115.3 | 42% | 0.417 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -30.3 | 178.8 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | K102 E109 I110 | K102-T106 PolarHBondContact O-N 3.26Å; T106-E109 WeakPolarHBondContact CA-OE2 3.46Å; T106-I110 HydrophobicContact CG2-CD1 4.08Å; T106-I110 WeakPolarHBondContact O-CD1 3.47Å; T106-I110 VanDerWaalsContact O-CG1 3.32Å; T106-I110 WeakPolarHBondContact O-CG1 3.28Å; T106-I110 PolarHBondContact O-N 3.39Å |
| 107 | K | 93.2 | Very high | 91.1 | Very high | 145 Ų | 145 | 112.9 Ų | 112.9 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.3 | -34.1 | 174.1 | -176.2 | 179.9 | 176.4 | -174.5 | 0 | 112.7 | H103 E104 L105 I111 | H103-K107 WeakPolarHBondContact O-CB 3.41Å; H103-K107 PolarHBondContact O-N 3.43Å; E104-K107 PolarHBondContact O-N 2.73Å; L105-K107 PolarHBondContact O-N 3.18Å; K107-I111 HydrophobicContact CG-CD1 4.25Å; K107-I111 WeakPolarHBondContact O-CD1 3.32Å; K107-I111 VanDerWaalsContact O-CG1 3.28Å; K107-I111 WeakPolarHBondContact O-CG1 3.48Å; K107-I111 PolarHBondContact O-N 2.94Å |
| 108 | R | 90.8 | Very high | 91.1 | Very high | 136 Ų | 136 | 109.6 Ų | 109.6 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.9 | -47.1 | 177.6 | -66.5 | 170.7 | -162.6 | -165.4 | 7.2 | 111.1 | E104 L105 I110 I111 E112 | E104-R108 WeakPolarHBondContact O-CG 3.38Å; E104-R108 PolarHBondContact O-N 3.05Å; E104-R108 IonicContact OE2-CZ 3.84Å; E104-R108 IonicContact OE2-NH2 3.98Å; E104-R108 PolarHBondContact OE2-NH2 3.29Å; L105-R108 WeakPolarHBondContact O-CB 3.47Å; L105-R108 PolarHBondContact O-N 3.38Å; R108-I110 VanDerWaalsContact C-N 3.3Å; R108-I110 PolarHBondContact O-N 3.17Å; R108-I111 WeakPolarHBondContact O-CB 3.44Å; R108-I111 PolarHBondContact O-N 3.44Å; R108-E112 PolarHBondContact O-N 3.17Å |
| 109 | E | 92.3 | Very high | 91 | Very high | 110 Ų | 110 | 109.1 Ų | 109.1 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -53.3 | -45.5 | 177.1 | -64.3 | 174.1 | 143.4 | 0 | 0 | 112.1 | L105 T106 I111 E112 Q113 | L105-E109 PolarHBondContact O-N 2.97Å; T106-E109 WeakPolarHBondContact CA-OE2 3.46Å; E109-I111 VanDerWaalsContact C-N 3.33Å; E109-I111 PolarHBondContact O-N 3.02Å; E109-E112 PolarHBondContact O-N 3.28Å; E109-Q113 WeakPolarHBondContact O-CG 3.37Å; E109-Q113 PolarHBondContact O-N 3.38Å; E109-Q113 VanDerWaalsContact O-N 3.17Å |
| 110 | I | 91.9 | Very high | 91 | Very high | 83 Ų | 83 | 107.2 Ų | 107.2 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 177.7 | -68.2 | 169.1 | 0 | 0 | 0 | 111.6 | T106 R108 H114 | T106-I110 HydrophobicContact CG2-CD1 4.08Å; T106-I110 WeakPolarHBondContact O-CD1 3.47Å; T106-I110 VanDerWaalsContact O-CG1 3.32Å; T106-I110 WeakPolarHBondContact O-CG1 3.28Å; T106-I110 PolarHBondContact O-N 3.39Å; R108-I110 VanDerWaalsContact C-N 3.3Å; R108-I110 PolarHBondContact O-N 3.17Å; I110-H114 PolarHBondContact O-N 2.79Å; I110-H114 PolarHBondContact O-ND1 3.41Å |
| 111 | I | 92.2 | Very high | 90.8 | Very high | 79 Ų | 79 | 107.3 Ų | 107.3 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 178.5 | -71.3 | 166.4 | 0 | 0 | 0 | 110.7 | K107 R108 E109 H114 Q115 | K107-I111 HydrophobicContact CG-CD1 4.25Å; K107-I111 WeakPolarHBondContact O-CD1 3.32Å; K107-I111 VanDerWaalsContact O-CG1 3.28Å; K107-I111 WeakPolarHBondContact O-CG1 3.48Å; K107-I111 PolarHBondContact O-N 2.94Å; R108-I111 WeakPolarHBondContact O-CB 3.44Å; R108-I111 PolarHBondContact O-N 3.44Å; E109-I111 VanDerWaalsContact C-N 3.33Å; E109-I111 PolarHBondContact O-N 3.02Å; I111-H114 PolarHBondContact O-N 2.98Å; I111-Q115 WeakPolarHBondContact O-CG 3.45Å; I111-Q115 PolarHBondContact O-N 2.76Å |
| 112 | E | 92.5 | Very high | 90.6 | Very high | 126 Ų | 126 | 105.6 Ų | 105.6 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | -179.7 | -70.6 | 170.4 | -169.1 | 0 | 0 | 111.7 | R108 E109 H114 Q115 E116 | R108-E112 PolarHBondContact O-N 3.17Å; E109-E112 PolarHBondContact O-N 3.28Å; E112-H114 VanDerWaalsContact C-N 3.33Å; E112-H114 PolarHBondContact O-N 3.12Å; E112-Q115 PolarHBondContact O-N 3.35Å; E112-Q115 VanDerWaalsContact O-N 3.12Å; E112-E116 PolarHBondContact O-N 3.36Å |
| 113 | Q | 91.2 | Very high | 90.3 | Very high | 128 Ų | 128 | 105.1 Ų | 105.1 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.5 | -37.8 | 176.5 | -70 | 176.9 | 4.7 | 0 | 0 | 113.3 | E109 T117 | E109-Q113 WeakPolarHBondContact O-CG 3.37Å; E109-Q113 PolarHBondContact O-N 3.38Å; E109-Q113 VanDerWaalsContact O-N 3.17Å; Q113-T117 WeakPolarHBondContact O-CB 3.38Å; Q113-T117 PolarHBondContact O-N 3.35Å; Q113-T117 VanDerWaalsContact O-N 3.11Å; Q113-T117 PolarHBondContact O-OG1 3.11Å |
| 114 | H | 90.5 | Very high | 90 | Very high | 117 Ų | 117 | 101.6 Ų | 101.6 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 174.4 | -76.7 | 94.5 | 0 | 0 | 0 | 112 | I110 I111 E112 T117 I118 | I110-H114 PolarHBondContact O-N 2.79Å; I110-H114 PolarHBondContact O-ND1 3.41Å; I111-H114 PolarHBondContact O-N 2.98Å; E112-H114 VanDerWaalsContact C-N 3.33Å; E112-H114 PolarHBondContact O-N 3.12Å; H114-T117 PolarHBondContact O-N 3.06Å; H114-I118 WeakPolarHBondContact O-CD1 3.47Å; H114-I118 VanDerWaalsContact O-CG1 3.29Å; H114-I118 WeakPolarHBondContact O-CG1 3.46Å; H114-I118 PolarHBondContact O-N 2.94Å |
| 115 | Q | 92.7 | Very high | 89.7 | Confident | 117 Ų | 117 | 102.6 Ų | 102.6 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.7 | -72.3 | 178.1 | 11.7 | 0 | 0 | 112.2 | I111 E112 S119 | I111-Q115 WeakPolarHBondContact O-CG 3.45Å; I111-Q115 PolarHBondContact O-N 2.76Å; E112-Q115 PolarHBondContact O-N 3.35Å; E112-Q115 VanDerWaalsContact O-N 3.12Å; Q115-S119 WeakPolarHBondContact O-CB 3.49Å; Q115-S119 PolarHBondContact O-N 3.01Å; Q115-S119 PolarHBondContact O-OG 2.72Å |
| 116 | E | 90.8 | Very high | 89.4 | Confident | 126 Ų | 126 | 100.4 Ų | 100.4 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -47.1 | 173.4 | -178.9 | 175.2 | -166.8 | 0 | 0 | 111.5 | E112 I118 S119 N120 | E112-E116 PolarHBondContact O-N 3.36Å; E116-I118 PolarHBondContact O-N 3.12Å; E116-S119 WeakPolarHBondContact O-CB 3.29Å; E116-S119 PolarHBondContact O-N 3.03Å; E116-S119 VanDerWaalsContact O-N 3.12Å; E116-N120 PolarHBondContact O-N 3.37Å; E116-N120 PolarHBondContact O-ND2 3.09Å |
| 117 | T | 89.2 | Confident | 89.1 | Confident | 82 Ų | 82 | 101.9 Ų | 101.9 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | -179.8 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | Q113 H114 S119 N120 L121 | Q113-T117 WeakPolarHBondContact O-CB 3.38Å; Q113-T117 PolarHBondContact O-N 3.35Å; Q113-T117 VanDerWaalsContact O-N 3.11Å; Q113-T117 PolarHBondContact O-OG1 3.11Å; H114-T117 PolarHBondContact O-N 3.06Å; T117-S119 VanDerWaalsContact C-N 3.34Å; T117-S119 PolarHBondContact O-N 3.38Å; T117-N120 PolarHBondContact O-N 3.47Å; T117-L121 HydrophobicContact CG2-CD1 4.34Å; T117-L121 WeakPolarHBondContact O-CG 3.36Å; T117-L121 PolarHBondContact O-N 3.43Å; T117-L121 VanDerWaalsContact O-N 3.09Å |
| 118 | I | 89.1 | Confident | 88.7 | Confident | 97 Ų | 97 | 97.6 Ų | 97.6 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 176.4 | -68.7 | 165 | 0 | 0 | 0 | 111 | H114 E116 N120 L121 N122 | H114-I118 WeakPolarHBondContact O-CD1 3.47Å; H114-I118 VanDerWaalsContact O-CG1 3.29Å; H114-I118 WeakPolarHBondContact O-CG1 3.46Å; H114-I118 PolarHBondContact O-N 2.94Å; E116-I118 PolarHBondContact O-N 3.12Å; I118-N120 PolarHBondContact O-N 3.05Å; I118-L121 PolarHBondContact O-N 3.45Å; I118-N122 WeakPolarHBondContact O-CB 3.44Å; I118-N122 VanDerWaalsContact O-CG 3.3Å; I118-N122 PolarHBondContact O-N 3.07Å; I118-N122 PolarHBondContact O-ND2 3.47Å |
| 119 | S | 86.9 | Confident | 88.5 | Confident | 64 Ų | 64 | 95.4 Ų | 95.4 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 179.8 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | Q115 E116 T117 R123 | Q115-S119 WeakPolarHBondContact O-CB 3.49Å; Q115-S119 PolarHBondContact O-N 3.01Å; Q115-S119 PolarHBondContact O-OG 2.72Å; E116-S119 WeakPolarHBondContact O-CB 3.29Å; E116-S119 PolarHBondContact O-N 3.03Å; E116-S119 VanDerWaalsContact O-N 3.12Å; T117-S119 VanDerWaalsContact C-N 3.34Å; T117-S119 PolarHBondContact O-N 3.38Å; S119-R123 PolarHBondContact O-N 2.99Å |
| 120 | N | 87.9 | Confident | 88.3 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 32% | 0.316 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.5 | -42.2 | 177.5 | -72.5 | -31.5 | 0 | 0 | 0 | 112 | E116 T117 I118 N122 R123 S124 | E116-N120 PolarHBondContact O-N 3.37Å; E116-N120 PolarHBondContact O-ND2 3.09Å; T117-N120 PolarHBondContact O-N 3.47Å; I118-N120 PolarHBondContact O-N 3.05Å; N120-N122 PolarHBondContact O-N 2.66Å; N120-R123 WeakPolarHBondContact O-CB 3.47Å; N120-R123 PolarHBondContact O-N 3.32Å; N120-R123 VanDerWaalsContact O-N 3.16Å; N120-R123 PolarHBondContact OD1-NH1 2.74Å; N120-S124 PolarHBondContact O-N 3.31Å |
| 121 | L | 87.6 | Confident | 87.9 | Confident | 109 Ų | 109 | 94.5 Ų | 94.5 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.3 | -45.2 | 174.1 | -72.3 | 169.9 | 0 | 0 | 0 | 112.2 | T117 I118 R123 S124 M125 | T117-L121 HydrophobicContact CG2-CD1 4.34Å; T117-L121 WeakPolarHBondContact O-CG 3.36Å; T117-L121 PolarHBondContact O-N 3.43Å; T117-L121 VanDerWaalsContact O-N 3.09Å; I118-L121 PolarHBondContact O-N 3.45Å; L121-R123 VanDerWaalsContact C-N 3.26Å; L121-R123 PolarHBondContact O-N 3.18Å; L121-S124 PolarHBondContact O-N 3.47Å; L121-M125 WeakPolarHBondContact O-CG 3.38Å; L121-M125 PolarHBondContact O-N 3.23Å |
| 122 | N | 86 | Confident | 87.6 | Confident | 93 Ų | 93 | 95.8 Ų | 95.8 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60 | -34.5 | 176.3 | -75.3 | -30.4 | 0 | 0 | 0 | 112.6 | I118 N120 S126 | I118-N122 WeakPolarHBondContact O-CB 3.44Å; I118-N122 VanDerWaalsContact O-CG 3.3Å; I118-N122 PolarHBondContact O-N 3.07Å; I118-N122 PolarHBondContact O-ND2 3.47Å; N120-N122 PolarHBondContact O-N 2.66Å; N122-S126 WeakPolarHBondContact O-CB 3.44Å; N122-S126 PolarHBondContact O-N 3.19Å |
| 123 | R | 85 | Confident | 87.3 | Confident | 133 Ų | 133 | 97.4 Ų | 97.4 | 50% | 0.502 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.9 | -52.5 | 176.3 | -167.6 | -174.2 | -59.1 | 108.3 | 5.2 | 111.2 | S119 N120 L121 M125 S126 E127 | S119-R123 PolarHBondContact O-N 2.99Å; N120-R123 WeakPolarHBondContact O-CB 3.47Å; N120-R123 PolarHBondContact O-N 3.32Å; N120-R123 VanDerWaalsContact O-N 3.16Å; N120-R123 PolarHBondContact OD1-NH1 2.74Å; L121-R123 VanDerWaalsContact C-N 3.26Å; L121-R123 PolarHBondContact O-N 3.18Å; R123-M125 VanDerWaalsContact C-N 3.34Å; R123-M125 PolarHBondContact O-N 3.09Å; R123-S126 WeakPolarHBondContact O-CB 3.46Å; R123-S126 PolarHBondContact O-N 2.98Å; R123-S126 VanDerWaalsContact O-N 3.09Å; R123-E127 WeakPolarHBondContact CG-OE1 3.35Å; R123-E127 WeakPolarHBondContact O-CG 3.38Å; R123-E127 PolarHBondContact O-N 3.16Å |
| 124 | S | 85.8 | Confident | 87 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | -179.2 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | N120 L121 E127 A128 | N120-S124 PolarHBondContact O-N 3.31Å; L121-S124 PolarHBondContact O-N 3.47Å; S124-E127 PolarHBondContact O-N 2.99Å; S124-A128 PolarHBondContact O-N 3.37Å |
| 125 | M | 83.6 | Confident | 86.7 | Confident | 117 Ų | 117 | 95.5 Ų | 95.5 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 170.6 | -74.6 | 179.3 | 60.2 | 0 | 0 | 111.9 | L121 R123 E127 A128 E129 | L121-M125 WeakPolarHBondContact O-CG 3.38Å; L121-M125 PolarHBondContact O-N 3.23Å; R123-M125 VanDerWaalsContact C-N 3.34Å; R123-M125 PolarHBondContact O-N 3.09Å; M125-E127 VanDerWaalsContact C-N 3.3Å; M125-E127 PolarHBondContact O-N 3.42Å; M125-A128 PolarHBondContact O-N 3.25Å; M125-E129 WeakPolarHBondContact O-CB 3.28Å; M125-E129 PolarHBondContact O-N 3.49Å |
| 126 | S | 85.5 | Confident | 86.4 | Confident | 47 Ų | 47 | 96.6 Ų | 96.6 | 33% | 0.329 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -35.7 | 177.3 | -172 | 0 | 0 | 0 | 0 | 112.7 | N122 R123 K130 | N122-S126 WeakPolarHBondContact O-CB 3.44Å; N122-S126 PolarHBondContact O-N 3.19Å; R123-S126 WeakPolarHBondContact O-CB 3.46Å; R123-S126 PolarHBondContact O-N 2.98Å; R123-S126 VanDerWaalsContact O-N 3.09Å; S126-K130 VanDerWaalsContact O-CD 3.28Å; S126-K130 WeakPolarHBondContact O-CD 3.44Å; S126-K130 WeakPolarHBondContact O-CG 3.4Å; S126-K130 PolarHBondContact O-N 3.39Å; S126-K130 VanDerWaalsContact O-N 3.07Å; S126-K130 WeakPolarHBondContact OG-CE 3.43Å; S126-K130 PolarHBondContact OG-NZ 3.43Å |
| 127 | E | 86.6 | Confident | 86.3 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.6 | -45.8 | 177.1 | -72.9 | 162.1 | -179.4 | 0 | 0 | 111.9 | R123 S124 M125 E129 K130 S131 | R123-E127 WeakPolarHBondContact CG-OE1 3.35Å; R123-E127 WeakPolarHBondContact O-CG 3.38Å; R123-E127 PolarHBondContact O-N 3.16Å; S124-E127 PolarHBondContact O-N 2.99Å; M125-E127 VanDerWaalsContact C-N 3.3Å; M125-E127 PolarHBondContact O-N 3.42Å; E127-E129 PolarHBondContact O-N 3.34Å; E127-K130 PolarHBondContact O-N 3.07Å; E127-S131 PolarHBondContact O-N 3.04Å |
| 128 | A | 85.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 97.5 Ų | 97.5 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S124 M125 K130 S131 M132 | S124-A128 PolarHBondContact O-N 3.37Å; M125-A128 PolarHBondContact O-N 3.25Å; A128-K130 PolarHBondContact O-N 3.32Å; A128-S131 PolarHBondContact O-N 3.07Å; A128-M132 WeakPolarHBondContact O-CB 3.5Å; A128-M132 WeakPolarHBondContact O-CG 3.23Å; A128-M132 PolarHBondContact O-N 2.92Å |
| 129 | E | 85.5 | Confident | 85.8 | Confident | 90 Ų | 90 | 96.9 Ų | 96.9 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 175.1 | -84.5 | -163.5 | -135.1 | 0 | 0 | 113.1 | M125 E127 M132 R133 | M125-E129 WeakPolarHBondContact O-CB 3.28Å; M125-E129 PolarHBondContact O-N 3.49Å; E127-E129 PolarHBondContact O-N 3.34Å; E129-M132 PolarHBondContact O-N 2.94Å; E129-R133 WeakPolarHBondContact O-CD 3.17Å; E129-R133 WeakPolarHBondContact O-CG 3.4Å; E129-R133 PolarHBondContact O-N 3.49Å; E129-R133 IonicContact OE2-CZ 3.72Å; E129-R133 IonicContact OE2-NE 3.33Å; E129-R133 IonicContact OE2-NH2 2.97Å; E129-R133 PolarHBondContact OE2-NH2 3.4Å |
| 130 | K | 88.4 | Confident | 85.8 | Confident | 124 Ų | 124 | 99 Ų | 99 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 176.2 | -75.4 | 159.3 | -173.7 | 153.6 | 0 | 110.8 | S126 E127 A128 M132 R133 E134 | S126-K130 VanDerWaalsContact O-CD 3.28Å; S126-K130 WeakPolarHBondContact O-CD 3.44Å; S126-K130 WeakPolarHBondContact O-CG 3.4Å; S126-K130 PolarHBondContact O-N 3.39Å; S126-K130 VanDerWaalsContact O-N 3.07Å; S126-K130 WeakPolarHBondContact OG-CE 3.43Å; S126-K130 PolarHBondContact OG-NZ 3.43Å; E127-K130 PolarHBondContact O-N 3.07Å; A128-K130 PolarHBondContact O-N 3.32Å; K130-M132 VanDerWaalsContact C-N 3.34Å; K130-M132 PolarHBondContact O-N 3.38Å; K130-R133 PolarHBondContact O-N 2.77Å; K130-R133 VanDerWaalsContact O-N 3.09Å; K130-E134 PolarHBondContact O-N 3.45Å |
| 131 | S | 84.5 | Confident | 85.9 | Confident | 49 Ų | 49 | 99.1 Ų | 99.1 | 34% | 0.343 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 178.6 | -167.5 | 0 | 0 | 0 | 0 | 112 | E127 A128 R133 E134 Q135 | E127-S131 PolarHBondContact O-N 3.04Å; A128-S131 PolarHBondContact O-N 3.07Å; S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 3.15Å; S131-E134 PolarHBondContact O-N 3.02Å; S131-Q135 WeakPolarHBondContact O-CG 3.37Å; S131-Q135 PolarHBondContact O-N 3.37Å |
| 132 | M | 84.1 | Confident | 85.8 | Confident | 107 Ų | 107 | 98.3 Ų | 98.3 | 53% | 0.527 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -33.4 | 174.3 | -76.2 | 178.3 | 60.8 | 0 | 0 | 113.7 | A128 E129 K130 K136 | A128-M132 WeakPolarHBondContact O-CB 3.5Å; A128-M132 WeakPolarHBondContact O-CG 3.23Å; A128-M132 PolarHBondContact O-N 2.92Å; E129-M132 PolarHBondContact O-N 2.94Å; K130-M132 VanDerWaalsContact C-N 3.34Å; K130-M132 PolarHBondContact O-N 3.38Å; M132-K136 WeakPolarHBondContact O-CD 3.45Å; M132-K136 VanDerWaalsContact O-CG 3.23Å; M132-K136 WeakPolarHBondContact O-CG 3.19Å; M132-K136 PolarHBondContact O-N 3.09Å |
| 133 | R | 86.9 | Confident | 85.7 | Confident | 160 Ų | 160 | 95.9 Ų | 95.9 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.1 | -41.7 | 176 | -68.8 | 163.1 | -167.6 | -140.4 | 9.4 | 110.9 | E129 K130 S131 K136 F137 | E129-R133 WeakPolarHBondContact O-CD 3.17Å; E129-R133 WeakPolarHBondContact O-CG 3.4Å; E129-R133 PolarHBondContact O-N 3.49Å; E129-R133 IonicContact OE2-CZ 3.72Å; E129-R133 IonicContact OE2-NE 3.33Å; E129-R133 IonicContact OE2-NH2 2.97Å; E129-R133 PolarHBondContact OE2-NH2 3.4Å; K130-R133 PolarHBondContact O-N 2.77Å; K130-R133 VanDerWaalsContact O-N 3.09Å; S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 3.15Å; R133-K136 PolarHBondContact O-N 3.38Å; R133-F137 PolarHBondContact O-N 3.31Å |
| 134 | E | 86 | Confident | 85.9 | Confident | 124 Ų | 124 | 94.4 Ų | 94.4 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.3 | -48.1 | 176.9 | -176 | 173.8 | -161.7 | 0 | 0 | 112.1 | K130 S131 K136 F137 I138 | K130-E134 PolarHBondContact O-N 3.45Å; S131-E134 PolarHBondContact O-N 3.02Å; E134-K136 VanDerWaalsContact C-N 3.31Å; E134-K136 PolarHBondContact O-N 3.47Å; E134-F137 WeakPolarHBondContact O-CB 3.48Å; E134-F137 PolarHBondContact O-N 2.95Å; E134-F137 VanDerWaalsContact O-N 3.15Å; E134-I138 HydrophobicContact CG-CD1 4.01Å; E134-I138 WeakPolarHBondContact O-CG1 3.45Å; E134-I138 PolarHBondContact O-N 3.08Å |
| 135 | Q | 82.7 | Confident | 86.1 | Confident | 81 Ų | 81 | 96.4 Ų | 96.4 | 38% | 0.379 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 175.4 | -71.2 | 179.8 | 16.5 | 0 | 0 | 112.5 | S131 H139 | S131-Q135 WeakPolarHBondContact O-CG 3.37Å; S131-Q135 PolarHBondContact O-N 3.37Å; Q135-H139 WeakPolarHBondContact O-CB 3.5Å; Q135-H139 PolarHBondContact O-N 3.31Å |
| 136 | K | 86.9 | Confident | 86.2 | Confident | 139 Ų | 139 | 91.8 Ų | 91.8 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 175 | -77.6 | 172.6 | -178.5 | 179.6 | 0 | 112.2 | M132 R133 E134 H139 Q140 | M132-K136 WeakPolarHBondContact O-CD 3.45Å; M132-K136 VanDerWaalsContact O-CG 3.23Å; M132-K136 WeakPolarHBondContact O-CG 3.19Å; M132-K136 PolarHBondContact O-N 3.09Å; R133-K136 PolarHBondContact O-N 3.38Å; E134-K136 VanDerWaalsContact C-N 3.31Å; E134-K136 PolarHBondContact O-N 3.47Å; K136-H139 PolarHBondContact O-N 3.05Å; K136-Q140 WeakPolarHBondContact O-CB 3.38Å; K136-Q140 PolarHBondContact O-N 2.92Å |
| 137 | F | 88.3 | Confident | 86.3 | Confident | 137 Ų | 137 | 93.1 Ų | 93.1 | 60% | 0.601 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.8 | -49.3 | 177.7 | -179.8 | -101.3 | 0 | 0 | 0 | 111.4 | R133 E134 H139 Q140 T141 | R133-F137 PolarHBondContact O-N 3.31Å; E134-F137 WeakPolarHBondContact O-CB 3.48Å; E134-F137 PolarHBondContact O-N 2.95Å; E134-F137 VanDerWaalsContact O-N 3.15Å; F137-H139 VanDerWaalsContact C-N 3.3Å; F137-H139 PolarHBondContact O-N 3.43Å; F137-Q140 PolarHBondContact O-N 2.94Å; F137-Q140 VanDerWaalsContact O-N 3.12Å; F137-T141 PolarHBondContact O-N 3.15Å; F137-T141 PolarHBondContact O-OG1 3.4Å |
| 138 | I | 84.5 | Confident | 86.3 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 176.8 | -66.2 | 165.8 | 0 | 0 | 0 | 111.3 | E134 K142 | E134-I138 HydrophobicContact CG-CD1 4.01Å; E134-I138 WeakPolarHBondContact O-CG1 3.45Å; E134-I138 PolarHBondContact O-N 3.08Å; I138-K142 PolarHBondContact O-N 3.01Å |
| 139 | H | 83.5 | Confident | 86.5 | Confident | 84 Ų | 84 | 94.3 Ų | 94.3 | 39% | 0.389 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 176.5 | 176.7 | 60 | 0 | 0 | 0 | 112.7 | Q135 K136 F137 K142 C143 | Q135-H139 WeakPolarHBondContact O-CB 3.5Å; Q135-H139 PolarHBondContact O-N 3.31Å; K136-H139 PolarHBondContact O-N 3.05Å; F137-H139 VanDerWaalsContact C-N 3.3Å; F137-H139 PolarHBondContact O-N 3.43Å; H139-K142 PolarHBondContact O-N 2.97Å; H139-C143 PolarHBondContact O-N 3.32Å; H139-C143 PolarHBondContact O-SG 3.12Å |
| 140 | Q | 87.6 | Confident | 86.6 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 176.1 | -179.9 | 178.5 | -22.7 | 0 | 0 | 111.3 | K136 F137 K142 C143 E144 | K136-Q140 WeakPolarHBondContact O-CB 3.38Å; K136-Q140 PolarHBondContact O-N 2.92Å; F137-Q140 PolarHBondContact O-N 2.94Å; F137-Q140 VanDerWaalsContact O-N 3.12Å; Q140-K142 VanDerWaalsContact C-N 3.3Å; Q140-K142 PolarHBondContact O-N 3.35Å; Q140-C143 WeakPolarHBondContact O-CB 3.08Å; Q140-C143 PolarHBondContact O-N 3.39Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.39Å; Q140-E144 PolarHBondContact NE2-OE1 2.97Å; Q140-E144 PolarHBondContact O-N 3.02Å |
| 141 | T | 89.4 | Confident | 86.5 | Confident | 62 Ų | 62 | 92.3 Ų | 92.3 | 38% | 0.38 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 179.5 | -54.7 | 0 | 0 | 0 | 0 | 112 | F137 C143 E144 E145 | F137-T141 PolarHBondContact O-N 3.15Å; F137-T141 PolarHBondContact O-OG1 3.4Å; T141-C143 VanDerWaalsContact C-N 3.34Å; T141-C143 PolarHBondContact O-N 3.01Å; T141-E144 PolarHBondContact O-N 3.21Å; T141-E145 WeakPolarHBondContact O-CB 3.46Å; T141-E145 PolarHBondContact O-N 2.62Å |
| 142 | K | 85.4 | Confident | 86.6 | Confident | 91 Ų | 91 | 95.4 Ų | 95.4 | 40% | 0.396 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 173.5 | -79.8 | -170.3 | 162.6 | -162.7 | 0 | 113.3 | I138 H139 Q140 I146 D321 | I138-K142 PolarHBondContact O-N 3.01Å; H139-K142 PolarHBondContact O-N 2.97Å; Q140-K142 VanDerWaalsContact C-N 3.3Å; Q140-K142 PolarHBondContact O-N 3.35Å; K142-I146 WeakPolarHBondContact O-CB 3.18Å; K142-I146 WeakPolarHBondContact O-CD1 3.45Å; K142-I146 WeakPolarHBondContact O-CG1 3.34Å; K142-I146 PolarHBondContact O-N 3.12Å; K142-I146 VanDerWaalsContact O-N 3.07Å; K142-D321 WeakPolarHBondContact CD-OD2 3.44Å; K142-D321 WeakPolarHBondContact CE-OD2 3.37Å; K142-D321 IonicContact NZ-OD1 2.79Å; K142-D321 IonicContact NZ-OD2 3.99Å; K142-D321 PolarHBondContact NZ-OD2 3.31Å |
| 143 | C | 85 | Confident | 86.8 | Confident | 42 Ų | 42 | 92.6 Ų | 92.6 | 28% | 0.284 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 177.5 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | H139 Q140 T141 I146 D147 | H139-C143 PolarHBondContact O-N 3.32Å; H139-C143 PolarHBondContact O-SG 3.12Å; Q140-C143 WeakPolarHBondContact O-CB 3.08Å; Q140-C143 PolarHBondContact O-N 3.39Å; T141-C143 VanDerWaalsContact C-N 3.34Å; T141-C143 PolarHBondContact O-N 3.01Å; C143-I146 PolarHBondContact O-N 3.06Å; C143-D147 WeakPolarHBondContact O-CB 3.49Å; C143-D147 PolarHBondContact O-N 3.01Å |
| 144 | E | 89.5 | Confident | 86.8 | Confident | 102 Ų | 102 | 90.1 Ų | 90.1 | 48% | 0.477 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 175.6 | -68.6 | 170.1 | -177.7 | 0 | 0 | 112 | Q140 T141 L148 | Q140-E144 WeakPolarHBondContact CG-OE1 3.39Å; Q140-E144 PolarHBondContact NE2-OE1 2.97Å; Q140-E144 PolarHBondContact O-N 3.02Å; T141-E144 PolarHBondContact O-N 3.21Å; E144-L148 WeakPolarHBondContact O-CB 3.43Å; E144-L148 PolarHBondContact O-N 3.36Å |
| 145 | E | 88.6 | Confident | 87 | Confident | 114 Ų | 114 | 86.3 Ų | 86.3 | 53% | 0.533 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 174.3 | -175.2 | 177.4 | -163 | 0 | 0 | 111.9 | T141 L148 M149 | T141-E145 WeakPolarHBondContact O-CB 3.46Å; T141-E145 PolarHBondContact O-N 2.62Å; E145-L148 PolarHBondContact O-N 2.88Å; E145-M149 HydrophobicContact CG-CE 4.36Å; E145-M149 WeakPolarHBondContact O-CG 3.48Å; E145-M149 PolarHBondContact O-N 3.43Å |
| 146 | I | 86.4 | Confident | 87.2 | Confident | 21 Ų | 21 | 85.3 Ų | 85.3 | 11% | 0.108 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71.3 | -39.4 | -178.7 | -71.7 | 165.7 | 0 | 0 | 0 | 111.8 | K142 C143 L148 M149 M150 I314 W318 | K142-I146 WeakPolarHBondContact O-CB 3.18Å; K142-I146 WeakPolarHBondContact O-CD1 3.45Å; K142-I146 WeakPolarHBondContact O-CG1 3.34Å; K142-I146 PolarHBondContact O-N 3.12Å; K142-I146 VanDerWaalsContact O-N 3.07Å; C143-I146 PolarHBondContact O-N 3.06Å; I146-L148 VanDerWaalsContact C-N 3.35Å; I146-M149 HydrophobicContact CB-CE 4.46Å; I146-M149 HydrophobicContact CG1-CE 3.74Å; I146-M149 PolarHBondContact O-N 3.34Å; I146-M150 WeakPolarHBondContact O-CB 3.35Å; I146-M150 WeakPolarHBondContact O-CG 3.23Å; I146-M150 PolarHBondContact O-N 3.02Å; I146-I314 HydrophobicContact CG2-CG2 4.14Å; I146-W318 HydrophobicContact CD1-CB 4.04Å; I146-W318 HydrophobicContact CD1-CG 4.22Å; I146-W318 HydrophobicContact CG2-CB 4.1Å; I146-W318 HydrophobicContact CG2-CG 4.09Å |
| 147 | D | 87.1 | Confident | 87.5 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 40% | 0.401 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 171.5 | 169.1 | 58.4 | 0 | 0 | 0 | 111.9 | C143 M150 K151 | C143-D147 WeakPolarHBondContact O-CB 3.49Å; C143-D147 PolarHBondContact O-N 3.01Å; D147-M150 PolarHBondContact O-N 3.07Å; D147-K151 WeakPolarHBondContact O-CG 3.45Å; D147-K151 PolarHBondContact O-N 3.25Å; D147-K151 WeakPolarHBondContact OD1-CE 3.47Å; D147-K151 IonicContact OD1-NZ 2.6Å; D147-K151 PolarHBondContact OD1-NZ 3.27Å; D147-K151 VanDerWaalsContact OD1-NZ 3.12Å; D147-K151 WeakPolarHBondContact OD2-CE 3.46Å; D147-K151 IonicContact OD2-NZ 3.77Å; D147-K151 PolarHBondContact OD2-NZ 3.08Å |
| 148 | L | 87.9 | Confident | 87.5 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 172.9 | -175.1 | 67 | 0 | 0 | 0 | 111.8 | E144 E145 I146 M150 K151 L152 | E144-L148 WeakPolarHBondContact O-CB 3.43Å; E144-L148 PolarHBondContact O-N 3.36Å; E145-L148 PolarHBondContact O-N 2.88Å; I146-L148 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 2.97Å; L148-K151 PolarHBondContact O-N 3.23Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 2.92Å |
| 149 | M | 88.6 | Confident | 87.8 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 174.3 | -74.5 | -165.5 | -69.7 | 0 | 0 | 111.9 | E145 I146 K151 L152 K153 | E145-M149 HydrophobicContact CG-CE 4.36Å; E145-M149 WeakPolarHBondContact O-CG 3.48Å; E145-M149 PolarHBondContact O-N 3.43Å; I146-M149 HydrophobicContact CB-CE 4.46Å; I146-M149 HydrophobicContact CG1-CE 3.74Å; I146-M149 PolarHBondContact O-N 3.34Å; M149-K151 PolarHBondContact O-N 3.36Å; M149-L152 PolarHBondContact O-N 3.18Å; M149-K153 VanDerWaalsContact O-CB 3.31Å; M149-K153 WeakPolarHBondContact O-CB 3.32Å; M149-K153 WeakPolarHBondContact O-CG 3.47Å; M149-K153 PolarHBondContact O-N 3.37Å |
| 150 | M | 86.8 | Confident | 88 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 27% | 0.271 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.1 | -75.7 | -176.2 | 69.1 | 0 | 0 | 112.2 | I146 D147 L148 K153 Q154 I314 L315 | I146-M150 WeakPolarHBondContact O-CB 3.35Å; I146-M150 WeakPolarHBondContact O-CG 3.23Å; I146-M150 PolarHBondContact O-N 3.02Å; D147-M150 PolarHBondContact O-N 3.07Å; L148-M150 PolarHBondContact O-N 2.97Å; M150-K153 PolarHBondContact O-N 3.32Å; M150-Q154 VanDerWaalsContact O-CG 3.29Å; M150-Q154 WeakPolarHBondContact O-CG 3.48Å; M150-Q154 PolarHBondContact O-N 3.19Å; M150-I314 HydrophobicContact CG-CG2 4.47Å; M150-L315 HydrophobicContact CE-CD2 3.88Å; M150-L315 HydrophobicContact SD-CD2 3.85Å |
| 151 | K | 87.9 | Confident | 88.1 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 50% | 0.504 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.3 | -75.4 | 163.1 | 178.1 | 165 | 0 | 112.5 | D147 L148 M149 K153 Q154 G155 | D147-K151 WeakPolarHBondContact O-CG 3.45Å; D147-K151 PolarHBondContact O-N 3.25Å; D147-K151 WeakPolarHBondContact OD1-CE 3.47Å; D147-K151 IonicContact OD1-NZ 2.6Å; D147-K151 PolarHBondContact OD1-NZ 3.27Å; D147-K151 VanDerWaalsContact OD1-NZ 3.12Å; D147-K151 WeakPolarHBondContact OD2-CE 3.46Å; D147-K151 IonicContact OD2-NZ 3.77Å; D147-K151 PolarHBondContact OD2-NZ 3.08Å; L148-K151 PolarHBondContact O-N 3.23Å; M149-K151 PolarHBondContact O-N 3.36Å; K151-K153 VanDerWaalsContact C-N 3.34Å; K151-Q154 PolarHBondContact O-N 3.49Å; K151-G155 PolarHBondContact O-N 3.05Å |
| 152 | L | 84.8 | Confident | 88.1 | Confident | 115 Ų | 115 | 77.8 Ų | 77.8 | 60% | 0.602 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.7 | -43.7 | 172.4 | -68.4 | 170.2 | 0 | 0 | 0 | 111.1 | L148 M149 Q154 G155 D156 | L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 2.92Å; M149-L152 PolarHBondContact O-N 3.18Å; L152-Q154 PolarHBondContact O-N 3.18Å; L152-G155 WeakPolarHBondContact O-CA 3.35Å; L152-G155 PolarHBondContact O-N 3.34Å; L152-D156 PolarHBondContact O-N 3.47Å |
| 153 | K | 89.4 | Confident | 88.3 | Confident | 48 Ų | 48 | 74.9 Ų | 74.9 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.2 | -31.6 | -179.9 | -74.4 | -76.3 | 147.8 | -144.3 | 0 | 114.1 | M149 M150 K151 G155 D156 L157 E307 N310 M311 I314 | M149-K153 VanDerWaalsContact O-CB 3.31Å; M149-K153 WeakPolarHBondContact O-CB 3.32Å; M149-K153 WeakPolarHBondContact O-CG 3.47Å; M149-K153 PolarHBondContact O-N 3.37Å; M150-K153 PolarHBondContact O-N 3.32Å; K151-K153 VanDerWaalsContact C-N 3.34Å; K153-G155 VanDerWaalsContact C-N 3.29Å; K153-D156 IonicContact NZ-OD2 2.71Å; K153-D156 PolarHBondContact NZ-OD2 2.93Å; K153-D156 PolarHBondContact O-N 3.22Å; K153-L157 WeakPolarHBondContact O-CB 3.4Å; K153-L157 PolarHBondContact O-N 3.44Å; K153-E307 WeakPolarHBondContact CD-OE1 3.48Å; K153-E307 WeakPolarHBondContact CE-OE1 3.49Å; K153-E307 IonicContact NZ-OE1 3.78Å; K153-E307 PolarHBondContact NZ-OE1 3.3Å; K153-N310 HydrophobicContact CD-CB 4.4Å; K153-M311 HydrophobicContact CB-CG 3.81Å; K153-M311 HydrophobicContact CB-SD 4.41Å; K153-I314 HydrophobicContact CD-CD1 4.32Å; K153-I314 HydrophobicContact CG-CD1 3.84Å |
| 154 | Q | 87.7 | Confident | 88.5 | Confident | 108 Ų | 108 | 73.7 Ų | 73.7 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 168.6 | -73 | 168.3 | 14.5 | 0 | 0 | 111.8 | M150 K151 L152 L157 A158 | M150-Q154 VanDerWaalsContact O-CG 3.29Å; M150-Q154 WeakPolarHBondContact O-CG 3.48Å; M150-Q154 PolarHBondContact O-N 3.19Å; K151-Q154 PolarHBondContact O-N 3.49Å; L152-Q154 PolarHBondContact O-N 3.18Å; Q154-L157 PolarHBondContact O-N 3.48Å; Q154-A158 WeakPolarHBondContact O-CB 3.29Å; Q154-A158 PolarHBondContact O-N 3.01Å |
| 155 | G | 88.3 | Confident | 88.5 | Confident | 43 Ų | 43 | 72.7 Ų | 72.7 | 44% | 0.443 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K151 L152 K153 A158 K159 | K151-G155 PolarHBondContact O-N 3.05Å; L152-G155 WeakPolarHBondContact O-CA 3.35Å; L152-G155 PolarHBondContact O-N 3.34Å; K153-G155 VanDerWaalsContact C-N 3.29Å; G155-A158 PolarHBondContact O-N 3.35Å; G155-K159 PolarHBondContact O-N 3.07Å; G155-K159 VanDerWaalsContact O-N 3.11Å |
| 156 | D | 88.9 | Confident | 88.5 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 173 | -77.6 | -29.5 | 0 | 0 | 0 | 111.6 | L152 K153 A158 K159 A160 E307 | L152-D156 PolarHBondContact O-N 3.47Å; K153-D156 IonicContact NZ-OD2 2.71Å; K153-D156 PolarHBondContact NZ-OD2 2.93Å; K153-D156 PolarHBondContact O-N 3.22Å; D156-A158 PolarHBondContact O-N 2.95Å; D156-K159 CarbonylContact O-C 3.33Å; D156-K159 WeakPolarHBondContact O-CB 3.43Å; D156-K159 PolarHBondContact O-N 3.01Å; D156-A160 VanDerWaalsContact O-CB 3.28Å; D156-A160 WeakPolarHBondContact O-CB 3.48Å; D156-A160 PolarHBondContact O-N 2.84Å; D156-E307 HydrophobicContact CB-CG 3.84Å |
| 157 | L | 91.4 | Very high | 88.6 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 18% | 0.183 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 176.6 | -179.7 | 74.9 | 0 | 0 | 0 | 111.9 | K153 Q154 K159 A160 L161 E307 I308 M311 | K153-L157 WeakPolarHBondContact O-CB 3.4Å; K153-L157 PolarHBondContact O-N 3.44Å; Q154-L157 PolarHBondContact O-N 3.48Å; L157-K159 VanDerWaalsContact C-N 3.27Å; L157-K159 PolarHBondContact O-N 3.3Å; L157-A160 WeakPolarHBondContact O-CB 3.38Å; L157-A160 PolarHBondContact O-N 3.36Å; L157-A160 VanDerWaalsContact O-N 3.17Å; L157-L161 HydrophobicContact CD1-CD1 4.39Å; L157-L161 HydrophobicContact CD1-CG 4.45Å; L157-L161 HydrophobicContact CD2-CD1 4.39Å; L157-L161 HydrophobicContact CG-CD1 3.96Å; L157-L161 HydrophobicContact CG-CG 4.42Å; L157-L161 WeakPolarHBondContact O-CB 3.5Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 3.3Å; L157-E307 HydrophobicContact CB-CG 4.38Å; L157-E307 HydrophobicContact CD1-CB 4.21Å; L157-I308 HydrophobicContact CD1-CD1 4.5Å; L157-I308 HydrophobicContact CD1-CG1 3.78Å; L157-M311 HydrophobicContact CB-CE 4.42Å; L157-M311 HydrophobicContact CD1-CE 3.95Å; L157-M311 HydrophobicContact CD2-CE 3.72Å; L157-M311 HydrophobicContact CD2-SD 4.36Å; L157-M311 HydrophobicContact CG-CE 4.23Å |
| 158 | A | 89.1 | Confident | 88.8 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q154 G155 D156 R162 | Q154-A158 WeakPolarHBondContact O-CB 3.29Å; Q154-A158 PolarHBondContact O-N 3.01Å; G155-A158 PolarHBondContact O-N 3.35Å; D156-A158 PolarHBondContact O-N 2.95Å; A158-R162 VanDerWaalsContact O-CB 3.27Å; A158-R162 WeakPolarHBondContact O-CB 3.41Å; A158-R162 PolarHBondContact O-N 2.69Å; A158-R162 VanDerWaalsContact O-N 3.12Å |
| 159 | K | 90 | Very high | 88.9 | Confident | 129 Ų | 129 | 70.8 Ų | 70.8 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.7 | -39.9 | 172.8 | -176.8 | -177.5 | 177.3 | -173.5 | 0 | 112.1 | G155 D156 L157 R162 N163 | G155-K159 PolarHBondContact O-N 3.07Å; G155-K159 VanDerWaalsContact O-N 3.11Å; D156-K159 CarbonylContact O-C 3.33Å; D156-K159 WeakPolarHBondContact O-CB 3.43Å; D156-K159 PolarHBondContact O-N 3.01Å; L157-K159 VanDerWaalsContact C-N 3.27Å; L157-K159 PolarHBondContact O-N 3.3Å; K159-R162 PolarHBondContact O-N 3.2Å; K159-N163 PolarHBondContact O-N 2.63Å |
| 160 | A | 88.3 | Confident | 88.9 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 7% | 0.066 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.1 | -50.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D156 L157 R162 N163 D164 H303 E307 | D156-A160 VanDerWaalsContact O-CB 3.28Å; D156-A160 WeakPolarHBondContact O-CB 3.48Å; D156-A160 PolarHBondContact O-N 2.84Å; L157-A160 WeakPolarHBondContact O-CB 3.38Å; L157-A160 PolarHBondContact O-N 3.36Å; L157-A160 VanDerWaalsContact O-N 3.17Å; A160-R162 VanDerWaalsContact C-N 3.3Å; A160-R162 PolarHBondContact O-N 3.1Å; A160-N163 WeakPolarHBondContact O-CB 3.31Å; A160-N163 PolarHBondContact O-N 3.47Å; A160-D164 PolarHBondContact O-N 2.95Å; A160-H303 HydrophobicContact CB-CB 3.65Å; A160-E307 HydrophobicContact CB-CB 4.32Å |
| 161 | L | 90.3 | Very high | 89.1 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 41% | 0.414 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.1 | -43.3 | 172.9 | -74.1 | 166.6 | 0 | 0 | 0 | 111.5 | L157 N163 D164 I165 A304 | L157-L161 HydrophobicContact CD1-CD1 4.39Å; L157-L161 HydrophobicContact CD1-CG 4.45Å; L157-L161 HydrophobicContact CD2-CD1 4.39Å; L157-L161 HydrophobicContact CG-CD1 3.96Å; L157-L161 HydrophobicContact CG-CG 4.42Å; L157-L161 WeakPolarHBondContact O-CB 3.5Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 3.3Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 2.97Å; L161-D164 PolarHBondContact O-N 3.29Å; L161-I165 WeakPolarHBondContact O-CB 3.44Å; L161-I165 WeakPolarHBondContact O-CD1 3.32Å; L161-I165 VanDerWaalsContact O-CG1 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.47Å; L161-I165 PolarHBondContact O-N 2.67Å; L161-A304 HydrophobicContact CD2-CB 3.53Å; L161-A304 HydrophobicContact CG-CB 3.87Å |
| 162 | R | 89.7 | Confident | 89.3 | Confident | 151 Ų | 151 | 64.3 Ų | 64.3 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 174.1 | 172.1 | 176.4 | 165.2 | 174.2 | -5.8 | 111.9 | A158 K159 A160 L166 G234 | A158-R162 VanDerWaalsContact O-CB 3.27Å; A158-R162 WeakPolarHBondContact O-CB 3.41Å; A158-R162 PolarHBondContact O-N 2.69Å; A158-R162 VanDerWaalsContact O-N 3.12Å; K159-R162 PolarHBondContact O-N 3.2Å; A160-R162 VanDerWaalsContact C-N 3.3Å; A160-R162 PolarHBondContact O-N 3.1Å; R162-L166 HydrophobicContact CG-CD1 3.79Å; R162-L166 WeakPolarHBondContact O-CB 3.49Å; R162-L166 WeakPolarHBondContact O-CD1 3.21Å; R162-L166 WeakPolarHBondContact O-CG 3.42Å; R162-L166 PolarHBondContact O-N 3.33Å; R162-L166 VanDerWaalsContact O-N 3.08Å; R162-G234 PolarHBondContact NH2-O 3.23Å |
| 163 | N | 88.6 | Confident | 89.6 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 177.3 | -74.6 | -13.6 | 0 | 0 | 0 | 112.1 | K159 A160 L161 I165 L166 E167 | K159-N163 PolarHBondContact O-N 2.63Å; A160-N163 WeakPolarHBondContact O-CB 3.31Å; A160-N163 PolarHBondContact O-N 3.47Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 2.97Å; N163-I165 PolarHBondContact O-N 2.87Å; N163-L166 PolarHBondContact O-N 3.49Å; N163-L166 VanDerWaalsContact O-N 3.11Å; N163-E167 WeakPolarHBondContact O-CG 3.36Å; N163-E167 PolarHBondContact O-N 3.4Å |
| 164 | D | 89.2 | Confident | 89.7 | Confident | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 178.4 | -74.9 | -42.4 | 0 | 0 | 0 | 111.7 | A160 L161 L166 E167 E168 L300 K302 H303 A304 | A160-D164 PolarHBondContact O-N 2.95Å; L161-D164 PolarHBondContact O-N 3.29Å; D164-L166 VanDerWaalsContact C-N 3.27Å; D164-L166 PolarHBondContact O-N 2.95Å; D164-E167 PolarHBondContact O-N 3.15Å; D164-E168 PolarHBondContact O-N 3.39Å; D164-L300 HydrophobicContact CB-CD1 4.24Å; D164-K302 WeakPolarHBondContact OD1-CA 3.48Å; D164-K302 PolarHBondContact OD1-N 2.89Å; D164-H303 IonicContact OD1-CD2 3.25Å; D164-H303 PolarHBondContact OD1-CD2 3.42Å; D164-H303 PolarHBondContact OD1-N 3.39Å; D164-H303 VanDerWaalsContact OD1-N 3.08Å; D164-H303 PolarHBondContact OD2-N 2.98Å; D164-A304 WeakPolarHBondContact OD2-CB 3.38Å; D164-A304 PolarHBondContact OD2-N 3.49Å |
| 165 | I | 89.7 | Confident | 90 | Very high | 81 Ų | 81 | 57.4 Ų | 57.4 | 42% | 0.415 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -35.8 | 175.3 | -70.3 | 166.4 | 0 | 0 | 0 | 111.7 | L161 N163 K169 | L161-I165 WeakPolarHBondContact O-CB 3.44Å; L161-I165 WeakPolarHBondContact O-CD1 3.32Å; L161-I165 VanDerWaalsContact O-CG1 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.47Å; L161-I165 PolarHBondContact O-N 2.67Å; N163-I165 PolarHBondContact O-N 2.87Å; I165-K169 HydrophobicContact CG2-CD 4Å; I165-K169 WeakPolarHBondContact O-CB 3.39Å; I165-K169 VanDerWaalsContact O-CG 3.26Å; I165-K169 WeakPolarHBondContact O-CG 3.41Å; I165-K169 PolarHBondContact O-N 3.35Å |
| 166 | L | 88.6 | Confident | 90.2 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -77.2 | -36.8 | 178.1 | -71.8 | 166.8 | 0 | 0 | 0 | 112.3 | R162 N163 D164 E168 K169 Y170 F232 G234 Y235 | R162-L166 HydrophobicContact CG-CD1 3.79Å; R162-L166 WeakPolarHBondContact O-CB 3.49Å; R162-L166 WeakPolarHBondContact O-CD1 3.21Å; R162-L166 WeakPolarHBondContact O-CG 3.42Å; R162-L166 PolarHBondContact O-N 3.33Å; R162-L166 VanDerWaalsContact O-N 3.08Å; N163-L166 PolarHBondContact O-N 3.49Å; N163-L166 VanDerWaalsContact O-N 3.11Å; D164-L166 VanDerWaalsContact C-N 3.27Å; D164-L166 PolarHBondContact O-N 2.95Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 2.85Å; L166-K169 PolarHBondContact O-N 3.27Å; L166-Y170 VanDerWaalsContact O-CB 3.24Å; L166-Y170 WeakPolarHBondContact O-CB 3.29Å; L166-Y170 PolarHBondContact O-N 3.34Å; L166-F232 HydrophobicContact CB-CE1 4.33Å; L166-F232 HydrophobicContact CB-CZ 4.34Å; L166-F232 HydrophobicContact CD2-CE1 4.08Å; L166-F232 HydrophobicContact CD2-CZ 3.89Å; L166-F232 VanDerWaalsContact O-CZ 3.28Å; L166-F232 WeakPolarHBondContact O-CZ 3.26Å; L166-G234 VanDerWaalsContact CD1-O 3.26Å; L166-G234 WeakPolarHBondContact CD1-O 3.42Å; L166-Y235 HydrophobicContact CB-CD2 4.12Å; L166-Y235 HydrophobicContact CB-CG 4.21Å |
| 167 | E | 88.7 | Confident | 90.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 171.6 | -74.6 | -178.5 | -167.1 | 0 | 0 | 111.2 | N163 D164 N171 Y235 I298 L300 Q301 H303 | N163-E167 WeakPolarHBondContact O-CG 3.36Å; N163-E167 PolarHBondContact O-N 3.4Å; D164-E167 PolarHBondContact O-N 3.15Å; E167-N171 WeakPolarHBondContact O-CB 3.37Å; E167-N171 VanDerWaalsContact O-CG 3.27Å; E167-N171 PolarHBondContact O-N 3.46Å; E167-N171 PolarHBondContact O-ND2 3.03Å; E167-N171 VanDerWaalsContact O-ND2 3.17Å; E167-Y235 HydrophobicContact CG-CD2 4.26Å; E167-Y235 HydrophobicContact CG-CE1 4.15Å; E167-Y235 HydrophobicContact CG-CE2 3.39Å; E167-Y235 VanDerWaalsContact CG-OH 3.25Å; E167-Y235 WeakPolarHBondContact CG-OH 3.49Å; E167-Y235 WeakPolarHBondContact OE1-CE2 3.4Å; E167-Y235 VanDerWaalsContact OE1-CZ 3.3Å; E167-Y235 PolarHBondContact OE1-OH 2.9Å; E167-I298 HydrophobicContact CG-CG2 4.44Å; E167-L300 HydrophobicContact CB-CD1 3.84Å; E167-L300 VanDerWaalsContact OE2-CA 3.25Å; E167-L300 WeakPolarHBondContact OE2-CA 3.49Å; E167-Q301 PolarHBondContact OE2-N 3.19Å; E167-H303 IonicContact OE1-CD2 2.65Å; E167-H303 IonicContact OE1-CE1 3.74Å; E167-H303 IonicContact OE1-NE2 3.06Å; E167-H303 PolarHBondContact OE1-NE2 2.93Å; E167-H303 IonicContact OE2-NE2 2.6Å |
| 168 | E | 90.6 | Very high | 90.5 | Very high | 131 Ų | 131 | 57.1 Ų | 57.1 | 61% | 0.612 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.4 | -48.2 | 176 | -174.4 | 170.1 | -138.7 | 0 | 0 | 112.5 | D164 L166 Y170 N171 S172 | D164-E168 PolarHBondContact O-N 3.39Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 2.85Å; E168-Y170 VanDerWaalsContact C-N 3.3Å; E168-Y170 PolarHBondContact O-N 3.49Å; E168-N171 PolarHBondContact O-N 3.48Å; E168-S172 WeakPolarHBondContact O-CB 3.39Å; E168-S172 PolarHBondContact O-N 2.83Å |
| 169 | K | 90.4 | Very high | 90.8 | Very high | 120 Ų | 120 | 59.4 Ų | 59.4 | 52% | 0.522 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 176 | -75.9 | 172.3 | -179.8 | 175 | 0 | 112.3 | I165 L166 T173 F232 | I165-K169 HydrophobicContact CG2-CD 4Å; I165-K169 WeakPolarHBondContact O-CB 3.39Å; I165-K169 VanDerWaalsContact O-CG 3.26Å; I165-K169 WeakPolarHBondContact O-CG 3.41Å; I165-K169 PolarHBondContact O-N 3.35Å; L166-K169 PolarHBondContact O-N 3.27Å; K169-T173 PolarHBondContact O-N 3.01Å; K169-T173 PolarHBondContact O-OG1 3.05Å; K169-F232 HydrophobicContact CB-CE2 3.94Å; K169-F232 HydrophobicContact CB-CZ 4Å |
| 170 | Y | 89.4 | Confident | 90.9 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 175.3 | -175.6 | -97.7 | 0 | 0 | 0 | 111.3 | L166 E168 S172 T173 V174 V229 F232 M238 N243 I298 | L166-Y170 VanDerWaalsContact O-CB 3.24Å; L166-Y170 WeakPolarHBondContact O-CB 3.29Å; L166-Y170 PolarHBondContact O-N 3.34Å; E168-Y170 VanDerWaalsContact C-N 3.3Å; E168-Y170 PolarHBondContact O-N 3.49Å; Y170-S172 PolarHBondContact O-N 3.48Å; Y170-T173 WeakPolarHBondContact O-CB 3.48Å; Y170-T173 PolarHBondContact O-N 3.48Å; Y170-V174 HydrophobicContact CD1-CG2 4.15Å; Y170-V174 HydrophobicContact CE1-CG2 3.69Å; Y170-V174 PolarHBondContact O-N 3.3Å; Y170-V229 HydrophobicContact CE2-CG1 3.79Å; Y170-V229 WeakPolarHBondContact OH-CG1 3.34Å; Y170-F232 HydrophobicContact CD2-CB 4.1Å; Y170-F232 AromaticContact CD2-CD1 3.77Å; Y170-F232 HydrophobicContact CD2-CD1 3.77Å; Y170-F232 HydrophobicContact CD2-CD2 4.1Å; Y170-F232 HydrophobicContact CD2-CE1 4.19Å; Y170-F232 AromaticContact CD2-CG 3.72Å; Y170-F232 HydrophobicContact CD2-CG 3.72Å; Y170-F232 HydrophobicContact CE2-CB 4.36Å; Y170-F232 HydrophobicContact CE2-CG 4.45Å; Y170-M238 HydrophobicContact CD2-CE 3.75Å; Y170-M238 HydrophobicContact CE2-CE 3.41Å; Y170-M238 VanDerWaalsContact CE2-CE 3.41Å; Y170-M238 HydrophobicContact CE2-SD 3.9Å; Y170-N243 WeakPolarHBondContact OH-CB 3.39Å; Y170-N243 PolarHBondContact OH-ND2 3.48Å; Y170-I298 HydrophobicContact CD1-CD1 3.56Å; Y170-I298 HydrophobicContact CD1-CG1 3.83Å; Y170-I298 HydrophobicContact CE1-CD1 3.63Å; Y170-I298 HydrophobicContact CE1-CG1 3.81Å; Y170-I298 HydrophobicContact CG-CD1 4.33Å |
| 171 | N | 90.8 | Very high | 91.1 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 178 | -80.1 | -31.3 | 0 | 0 | 0 | 112.7 | E167 E168 T173 V174 Q175 N297 I298 | E167-N171 WeakPolarHBondContact O-CB 3.37Å; E167-N171 VanDerWaalsContact O-CG 3.27Å; E167-N171 PolarHBondContact O-N 3.46Å; E167-N171 PolarHBondContact O-ND2 3.03Å; E167-N171 VanDerWaalsContact O-ND2 3.17Å; E168-N171 PolarHBondContact O-N 3.48Å; N171-T173 VanDerWaalsContact C-N 3.33Å; N171-T173 PolarHBondContact O-N 2.95Å; N171-V174 PolarHBondContact O-N 2.75Å; N171-Q175 VanDerWaalsContact O-CG 3.28Å; N171-Q175 WeakPolarHBondContact O-CG 3.01Å; N171-Q175 PolarHBondContact O-N 3.44Å; N171-N297 WeakPolarHBondContact OD1-CA 3.26Å; N171-N297 WeakPolarHBondContact OD1-CB 3.46Å; N171-I298 PolarHBondContact ND2-O 3.29Å; N171-I298 PolarHBondContact OD1-N 3.38Å; N171-I298 PolarHBondContact OD1-O 2.98Å |
| 172 | S | 92.1 | Very high | 91.2 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.7 | -44.6 | 174.1 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | E168 Y170 V174 Q175 H176 | E168-S172 WeakPolarHBondContact O-CB 3.39Å; E168-S172 PolarHBondContact O-N 2.83Å; Y170-S172 PolarHBondContact O-N 3.48Å; S172-V174 PolarHBondContact O-N 2.96Å; S172-Q175 PolarHBondContact O-N 3.46Å; S172-H176 PolarHBondContact O-N 3.11Å |
| 173 | T | 90.9 | Very high | 91.2 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.7 | -47.9 | 0 | 0 | 0 | 0 | 111.8 | K169 Y170 N171 Q175 H176 V177 K228 V229 | K169-T173 PolarHBondContact O-N 3.01Å; K169-T173 PolarHBondContact O-OG1 3.05Å; Y170-T173 WeakPolarHBondContact O-CB 3.48Å; Y170-T173 PolarHBondContact O-N 3.48Å; N171-T173 VanDerWaalsContact C-N 3.33Å; N171-T173 PolarHBondContact O-N 2.95Å; T173-Q175 VanDerWaalsContact C-N 3.35Å; T173-Q175 PolarHBondContact O-N 3.22Å; T173-H176 WeakPolarHBondContact O-CB 3.34Å; T173-H176 PolarHBondContact O-N 2.89Å; T173-V177 PolarHBondContact O-N 3.12Å; T173-K228 HydrophobicContact CG2-CB 3.76Å; T173-V229 HydrophobicContact CG2-CG2 3.65Å |
| 174 | V | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -38.1 | 175 | 169 | 0 | 0 | 0 | 0 | 112.2 | Y170 N171 S172 K178 V229 L295 | Y170-V174 HydrophobicContact CD1-CG2 4.15Å; Y170-V174 HydrophobicContact CE1-CG2 3.69Å; Y170-V174 PolarHBondContact O-N 3.3Å; N171-V174 PolarHBondContact O-N 2.75Å; S172-V174 PolarHBondContact O-N 2.96Å; V174-K178 HydrophobicContact CG1-CD 4.35Å; V174-K178 WeakPolarHBondContact O-CG 3.28Å; V174-K178 PolarHBondContact O-N 3.17Å; V174-V229 HydrophobicContact CG2-CG1 4.04Å; V174-V229 HydrophobicContact CG2-CG2 4.08Å; V174-L295 HydrophobicContact CG1-CB 4.06Å |
| 175 | Q | 92.9 | Very high | 91.4 | Very high | 96 Ų | 96 | 49.2 Ų | 49.2 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.9 | -32.7 | 175.1 | -67.6 | -73.7 | 40.2 | 0 | 0 | 112.1 | N171 S172 T173 K178 H179 N297 | N171-Q175 VanDerWaalsContact O-CG 3.28Å; N171-Q175 WeakPolarHBondContact O-CG 3.01Å; N171-Q175 PolarHBondContact O-N 3.44Å; S172-Q175 PolarHBondContact O-N 3.46Å; T173-Q175 VanDerWaalsContact C-N 3.35Å; T173-Q175 PolarHBondContact O-N 3.22Å; Q175-K178 PolarHBondContact O-N 3.3Å; Q175-H179 WeakPolarHBondContact O-CB 3.41Å; Q175-H179 PolarHBondContact O-N 3.19Å; Q175-N297 PolarHBondContact NE2-ND2 3.42Å; Q175-N297 VanDerWaalsContact NE2-ND2 3.11Å |
| 176 | H | 94 | Very high | 91.3 | Very high | 85 Ų | 85 | 52 Ų | 52 | 39% | 0.394 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 174.4 | -172.4 | -149.4 | 0 | 0 | 0 | 111.9 | S172 T173 K178 H179 I180 | S172-H176 PolarHBondContact O-N 3.11Å; T173-H176 WeakPolarHBondContact O-CB 3.34Å; T173-H176 PolarHBondContact O-N 2.89Å; H176-K178 VanDerWaalsContact C-N 3.33Å; H176-K178 PolarHBondContact O-N 3.38Å; H176-H179 WeakPolarHBondContact O-CB 3.43Å; H176-H179 PolarHBondContact O-N 3.05Å; H176-I180 WeakPolarHBondContact O-CG1 3.45Å; H176-I180 PolarHBondContact O-N 3.3Å |
| 177 | V | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | T173 H179 I180 W181 L222 A225 V229 V292 L295 | T173-V177 PolarHBondContact O-N 3.12Å; V177-H179 PolarHBondContact O-N 3.21Å; V177-I180 PolarHBondContact O-N 2.88Å; V177-W181 WeakPolarHBondContact O-CB 3.41Å; V177-W181 PolarHBondContact O-N 2.71Å; V177-L222 HydrophobicContact CG1-CD1 3.78Å; V177-L222 WeakPolarHBondContact O-CD1 3.45Å; V177-A225 HydrophobicContact CG2-CB 3.75Å; V177-A225 WeakPolarHBondContact CG2-O 3.47Å; V177-V229 HydrophobicContact CG2-CG2 3.96Å; V177-V292 HydrophobicContact CG1-CG1 4.45Å; V177-L295 HydrophobicContact CB-CD1 4.1Å; V177-L295 HydrophobicContact CG1-CD1 3.62Å |
| 178 | K | 93.6 | Very high | 91.1 | Very high | 49 Ų | 49 | 52 Ų | 52 | 21% | 0.213 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -36.8 | 177.7 | -68.2 | 167.5 | 179.8 | 179.2 | 0 | 112.7 | V174 Q175 H176 T182 V292 L295 N297 | V174-K178 HydrophobicContact CG1-CD 4.35Å; V174-K178 WeakPolarHBondContact O-CG 3.28Å; V174-K178 PolarHBondContact O-N 3.17Å; Q175-K178 PolarHBondContact O-N 3.3Å; H176-K178 VanDerWaalsContact C-N 3.33Å; H176-K178 PolarHBondContact O-N 3.38Å; K178-T182 PolarHBondContact O-N 3.06Å; K178-T182 PolarHBondContact O-OG1 2.92Å; K178-V292 HydrophobicContact CG-CG1 4.28Å; K178-L295 WeakPolarHBondContact CE-O 3.44Å; K178-L295 PolarHBondContact NZ-O 3.41Å; K178-N297 PolarHBondContact NZ-OD1 3.34Å |
| 179 | H | 94.3 | Very high | 90.8 | Very high | 108 Ų | 108 | 49.2 Ų | 49.2 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 175.1 | -178.9 | 87.1 | 0 | 0 | 0 | 111.4 | Q175 H176 V177 W181 T182 L183 | Q175-H179 WeakPolarHBondContact O-CB 3.41Å; Q175-H179 PolarHBondContact O-N 3.19Å; H176-H179 WeakPolarHBondContact O-CB 3.43Å; H176-H179 PolarHBondContact O-N 3.05Å; V177-H179 PolarHBondContact O-N 3.21Å; H179-W181 VanDerWaalsContact C-N 3.34Å; H179-W181 PolarHBondContact O-N 2.74Å; H179-T182 WeakPolarHBondContact O-CA 3.23Å; H179-T182 WeakPolarHBondContact O-CB 3.19Å; H179-T182 PolarHBondContact O-N 2.84Å; H179-T182 VanDerWaalsContact O-N 3.07Å; H179-L183 PolarHBondContact O-N 3.17Å; H179-L183 VanDerWaalsContact O-N 3.09Å |
| 180 | I | 92.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 177.9 | -65.1 | 157.5 | 0 | 0 | 0 | 110.3 | H176 V177 T182 L183 I184 K218 N221 L222 A225 | H176-I180 WeakPolarHBondContact O-CG1 3.45Å; H176-I180 PolarHBondContact O-N 3.3Å; V177-I180 PolarHBondContact O-N 2.88Å; I180-T182 VanDerWaalsContact C-N 3.27Å; I180-T182 PolarHBondContact O-N 3.39Å; I180-L183 WeakPolarHBondContact O-CB 3.43Å; I180-L183 PolarHBondContact O-N 2.78Å; I180-I184 HydrophobicContact CG2-CD1 4.11Å; I180-I184 HydrophobicContact CG2-CG1 4.5Å; I180-I184 WeakPolarHBondContact O-CG1 3.27Å; I180-I184 PolarHBondContact O-N 3.05Å; I180-K218 VanDerWaalsContact CG2-O 3.28Å; I180-K218 WeakPolarHBondContact CG2-O 3.43Å; I180-N221 HydrophobicContact CD1-CB 4.21Å; I180-N221 WeakPolarHBondContact CD1-O 3.3Å; I180-N221 HydrophobicContact CG2-CB 4.14Å; I180-L222 HydrophobicContact CB-CD1 4.15Å; I180-L222 HydrophobicContact CG2-CB 3.86Å; I180-L222 HydrophobicContact CG2-CD1 4.03Å; I180-A225 HydrophobicContact CD1-CB 3.47Å; I180-A225 VanDerWaalsContact CD1-CB 3.47Å |
| 181 | W | 92.6 | Very high | 90.1 | Very high | 23 Ų | 23 | 46.5 Ų | 46.5 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.5 | -42.9 | 173.7 | 170.9 | -106.1 | 0 | 0 | 0 | 113 | V177 H179 L183 I184 S185 L222 M285 L288 N289 V292 | V177-W181 WeakPolarHBondContact O-CB 3.41Å; V177-W181 PolarHBondContact O-N 2.71Å; H179-W181 VanDerWaalsContact C-N 3.34Å; H179-W181 PolarHBondContact O-N 2.74Å; W181-L183 VanDerWaalsContact C-N 3.3Å; W181-L183 PolarHBondContact O-N 3.22Å; W181-I184 PolarHBondContact O-N 2.96Å; W181-S185 WeakPolarHBondContact O-CB 3.3Å; W181-S185 PolarHBondContact O-N 3.12Å; W181-L222 HydrophobicContact CB-CD1 4.23Å; W181-L222 HydrophobicContact CE3-CD2 4.42Å; W181-M285 HydrophobicContact CH2-CE 3.48Å; W181-M285 VanDerWaalsContact CH2-CE 3.48Å; W181-M285 WeakPolarHBondContact CH2-O 3.39Å; W181-M285 HydrophobicContact CH2-SD 4.26Å; W181-M285 HydrophobicContact CZ3-CE 3.48Å; W181-M285 VanDerWaalsContact CZ3-CE 3.48Å; W181-M285 HydrophobicContact CZ3-SD 4.02Å; W181-L288 HydrophobicContact CE3-CD2 4.46Å; W181-L288 HydrophobicContact CE3-CG 4.27Å; W181-L288 HydrophobicContact CZ3-CB 4.25Å; W181-L288 HydrophobicContact CZ3-CD2 3.98Å; W181-L288 HydrophobicContact CZ3-CG 3.87Å; W181-N289 HydrophobicContact CH2-CB 3.75Å; W181-N289 VanDerWaalsContact CZ2-CA 3.48Å; W181-N289 HydrophobicContact CZ2-CB 3.23Å; W181-N289 VanDerWaalsContact CZ2-CG 3.43Å; W181-N289 WeakPolarHBondContact CZ2-OD1 3.31Å; W181-N289 PolarHBondContact NE1-OD1 3.36Å; W181-V292 HydrophobicContact CB-CB 4.49Å; W181-V292 HydrophobicContact CB-CG1 3.8Å; W181-V292 HydrophobicContact CB-CG2 4.38Å; W181-V292 HydrophobicContact CD2-CB 4.47Å; W181-V292 HydrophobicContact CD2-CG2 4.31Å; W181-V292 HydrophobicContact CE3-CG2 4.34Å; W181-V292 HydrophobicContact CG-CB 4.17Å; W181-V292 HydrophobicContact CG-CG1 3.83Å; W181-V292 HydrophobicContact CG-CG2 4.26Å |
| 182 | T | 91.9 | Very high | 89.7 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 177 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | K178 H179 I180 K186 | K178-T182 PolarHBondContact O-N 3.06Å; K178-T182 PolarHBondContact O-OG1 2.92Å; H179-T182 WeakPolarHBondContact O-CA 3.23Å; H179-T182 WeakPolarHBondContact O-CB 3.19Å; H179-T182 PolarHBondContact O-N 2.84Å; H179-T182 VanDerWaalsContact O-N 3.07Å; I180-T182 VanDerWaalsContact C-N 3.27Å; I180-T182 PolarHBondContact O-N 3.39Å; T182-K186 WeakPolarHBondContact O-CG 3.46Å; T182-K186 PolarHBondContact O-N 3.42Å; T182-K186 VanDerWaalsContact O-N 3.16Å |
| 183 | L | 91.2 | Very high | 89.2 | Confident | 61 Ų | 61 | 50.5 Ų | 50.5 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 174.3 | -61.5 | 178 | 0 | 0 | 0 | 111.8 | H179 I180 W181 K186 A187 K218 | H179-L183 PolarHBondContact O-N 3.17Å; H179-L183 VanDerWaalsContact O-N 3.09Å; I180-L183 WeakPolarHBondContact O-CB 3.43Å; I180-L183 PolarHBondContact O-N 2.78Å; W181-L183 VanDerWaalsContact C-N 3.3Å; W181-L183 PolarHBondContact O-N 3.22Å; L183-K186 PolarHBondContact O-N 3.03Å; L183-A187 PolarHBondContact O-N 3.44Å; L183-K218 HydrophobicContact CD1-CD 4.4Å |
| 184 | I | 90.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.9 | -54.6 | 163.4 | 0 | 0 | 0 | 110.2 | I180 W181 K186 A187 M188 V215 K218 M219 L222 M285 | I180-I184 HydrophobicContact CG2-CD1 4.11Å; I180-I184 HydrophobicContact CG2-CG1 4.5Å; I180-I184 WeakPolarHBondContact O-CG1 3.27Å; I180-I184 PolarHBondContact O-N 3.05Å; W181-I184 PolarHBondContact O-N 2.96Å; I184-K186 VanDerWaalsContact C-N 3.34Å; I184-K186 PolarHBondContact O-N 3.08Å; I184-A187 PolarHBondContact O-N 2.86Å; I184-M188 WeakPolarHBondContact O-CB 3.2Å; I184-M188 PolarHBondContact O-N 3.3Å; I184-V215 HydrophobicContact CG2-CG1 4.17Å; I184-K218 HydrophobicContact CD1-CB 4.3Å; I184-K218 HydrophobicContact CG1-CB 3.6Å; I184-M219 HydrophobicContact CD1-CG 4.45Å; I184-M219 HydrophobicContact CD1-SD 3.97Å; I184-M219 HydrophobicContact CG2-SD 4.5Å; I184-L222 HydrophobicContact CD1-CB 4.12Å; I184-L222 HydrophobicContact CD1-CD2 3.92Å; I184-L222 HydrophobicContact CD1-CG 4.45Å; I184-M285 HydrophobicContact CB-CE 4.44Å; I184-M285 HydrophobicContact CG2-CE 3.42Å; I184-M285 VanDerWaalsContact CG2-CE 3.42Å; I184-M285 HydrophobicContact CG2-SD 4.48Å |
| 185 | S | 89.6 | Confident | 87.8 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 112.8 | W181 T189 | W181-S185 WeakPolarHBondContact O-CB 3.3Å; W181-S185 PolarHBondContact O-N 3.12Å; S185-T189 PolarHBondContact O-N 3.39Å; S185-T189 PolarHBondContact O-OG1 3.44Å |
| 186 | K | 88.1 | Confident | 86.9 | Confident | 138 Ų | 138 | 49.4 Ų | 49.4 | 60% | 0.6 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 172.7 | -75.3 | 176.3 | 178.8 | -175.6 | 0 | 112.1 | T182 L183 I184 M188 T189 V190 | T182-K186 WeakPolarHBondContact O-CG 3.46Å; T182-K186 PolarHBondContact O-N 3.42Å; T182-K186 VanDerWaalsContact O-N 3.16Å; L183-K186 PolarHBondContact O-N 3.03Å; I184-K186 VanDerWaalsContact C-N 3.34Å; I184-K186 PolarHBondContact O-N 3.08Å; K186-M188 PolarHBondContact O-N 3.4Å; K186-T189 WeakPolarHBondContact O-CB 3.39Å; K186-T189 PolarHBondContact O-N 2.77Å; K186-V190 PolarHBondContact O-N 2.85Å |
| 187 | A | 86.6 | Confident | 85.5 | Confident | 10 Ų | 10 | 50 Ų | 50 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L183 I184 T189 V190 I191 L214 V215 | L183-A187 PolarHBondContact O-N 3.44Å; I184-A187 PolarHBondContact O-N 2.86Å; A187-T189 VanDerWaalsContact C-N 3.28Å; A187-T189 PolarHBondContact O-N 2.69Å; A187-V190 WeakPolarHBondContact O-CB 3.42Å; A187-V190 PolarHBondContact O-N 3.01Å; A187-V190 VanDerWaalsContact O-N 3.08Å; A187-I191 WeakPolarHBondContact O-CG1 3.47Å; A187-I191 PolarHBondContact O-N 2.97Å; A187-L214 HydrophobicContact CB-CD2 3.82Å; A187-V215 HydrophobicContact CB-CG2 3.66Å |
| 188 | M | 86.8 | Confident | 83.5 | Confident | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -36.3 | 175.5 | -178 | 52.6 | 168 | 0 | 0 | 112.7 | I184 K186 V190 I191 H192 F278 F281 K282 | I184-M188 WeakPolarHBondContact O-CB 3.2Å; I184-M188 PolarHBondContact O-N 3.3Å; K186-M188 PolarHBondContact O-N 3.4Å; M188-V190 VanDerWaalsContact C-N 3.34Å; M188-V190 PolarHBondContact O-N 3.41Å; M188-I191 PolarHBondContact O-N 3.08Å; M188-H192 WeakPolarHBondContact O-CB 3.24Å; M188-H192 PolarHBondContact O-N 3.16Å; M188-F278 HydrophobicContact CE-CD2 4.35Å; M188-F278 HydrophobicContact CE-CE1 4.2Å; M188-F278 HydrophobicContact CE-CE2 3.51Å; M188-F278 HydrophobicContact CE-CZ 3.41Å; M188-F278 VanDerWaalsContact CE-CZ 3.41Å; M188-F278 HydrophobicContact SD-CE2 3.56Å; M188-F278 VanDerWaalsContact SD-CE2 3.56Å; M188-F278 HydrophobicContact SD-CZ 3.62Å; M188-F281 HydrophobicContact CE-CD1 3.51Å; M188-F281 HydrophobicContact CE-CE1 3.46Å; M188-F281 VanDerWaalsContact CE-CE1 3.46Å; M188-F281 HydrophobicContact CE-CG 4.35Å; M188-F281 HydrophobicContact CE-CZ 4.26Å; M188-F281 HydrophobicContact SD-CD1 4.04Å; M188-F281 HydrophobicContact SD-CE1 3.38Å; M188-F281 WeakPolarHBondContact SD-CE1 3.5Å; M188-F281 HydrophobicContact SD-CZ 4.08Å; M188-K282 HydrophobicContact CE-CB 3.61Å; M188-K282 HydrophobicContact CE-CG 4.03Å |
| 189 | T | 85 | Confident | 81.3 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 175 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | S185 K186 A187 H192 K193 | S185-T189 PolarHBondContact O-N 3.39Å; S185-T189 PolarHBondContact O-OG1 3.44Å; K186-T189 WeakPolarHBondContact O-CB 3.39Å; K186-T189 PolarHBondContact O-N 2.77Å; A187-T189 VanDerWaalsContact C-N 3.28Å; A187-T189 PolarHBondContact O-N 2.69Å; T189-H192 PolarHBondContact O-N 3.33Å; T189-K193 WeakPolarHBondContact O-CG 3.41Å; T189-K193 PolarHBondContact O-N 3.2Å |
| 190 | V | 82.6 | Confident | 79.2 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 39% | 0.394 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 111 | K186 A187 M188 H192 K193 S194 L211 | K186-V190 PolarHBondContact O-N 2.85Å; A187-V190 WeakPolarHBondContact O-CB 3.42Å; A187-V190 PolarHBondContact O-N 3.01Å; A187-V190 VanDerWaalsContact O-N 3.08Å; M188-V190 VanDerWaalsContact C-N 3.34Å; M188-V190 PolarHBondContact O-N 3.41Å; V190-H192 VanDerWaalsContact C-N 3.29Å; V190-H192 PolarHBondContact O-N 3.08Å; V190-K193 PolarHBondContact O-N 3Å; V190-S194 PolarHBondContact O-N 2.85Å; V190-L211 HydrophobicContact CB-CD1 4.46Å; V190-L211 HydrophobicContact CG1-CD1 3.73Å; V190-L211 HydrophobicContact CG1-CD2 4.3Å |
| 191 | I | 82 | Confident | 77.2 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 175.3 | -57.5 | 168.3 | 0 | 0 | 0 | 110.6 | A187 M188 K193 S194 L195 L211 V212 V215 F264 F278 | A187-I191 WeakPolarHBondContact O-CG1 3.47Å; A187-I191 PolarHBondContact O-N 2.97Å; M188-I191 PolarHBondContact O-N 3.08Å; I191-K193 PolarHBondContact O-N 3.29Å; I191-S194 PolarHBondContact O-N 3.24Å; I191-S194 PolarHBondContact O-OG 3.45Å; I191-L195 HydrophobicContact CG2-CD1 4.23Å; I191-L195 WeakPolarHBondContact O-CG 3.41Å; I191-L195 PolarHBondContact O-N 3.04Å; I191-L211 HydrophobicContact CD1-CB 4.03Å; I191-L211 HydrophobicContact CG1-CB 3.74Å; I191-L211 HydrophobicContact CG1-CD1 4.22Å; I191-V212 HydrophobicContact CD1-CG2 4.04Å; I191-V215 HydrophobicContact CD1-CG2 3.9Å; I191-F264 HydrophobicContact CG2-CE1 4.22Å; I191-F264 HydrophobicContact CG2-CZ 4.18Å; I191-F278 HydrophobicContact CB-CE2 4.14Å; I191-F278 HydrophobicContact CG2-CD2 4.15Å; I191-F278 HydrophobicContact CG2-CE2 3.5Å; I191-F278 VanDerWaalsContact CG2-CE2 3.5Å; I191-F278 HydrophobicContact CG2-CZ 4.2Å |
| 192 | H | 82.9 | Confident | 75.4 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 27% | 0.273 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 176.8 | -170.1 | -4.1 | 0 | 0 | 0 | 112 | M188 T189 V190 S194 L195 T196 F278 K282 | M188-H192 WeakPolarHBondContact O-CB 3.24Å; M188-H192 PolarHBondContact O-N 3.16Å; T189-H192 PolarHBondContact O-N 3.33Å; V190-H192 VanDerWaalsContact C-N 3.29Å; V190-H192 PolarHBondContact O-N 3.08Å; H192-S194 VanDerWaalsContact C-N 3.3Å; H192-S194 PolarHBondContact O-N 3.38Å; H192-L195 PolarHBondContact O-N 3.49Å; H192-T196 PolarHBondContact O-N 2.87Å; H192-T196 PolarHBondContact O-OG1 2.77Å; H192-T196 VanDerWaalsContact O-OG1 3.12Å; H192-F278 HydrophobicContact CB-CE1 3.9Å; H192-F278 HydrophobicContact CB-CZ 3.8Å; H192-F278 AromaticContact CG-CE1 3.86Å; H192-F278 AromaticContact ND1-CE1 3.87Å; H192-K282 PolarHBondContact CD2-NZ 3.43Å; H192-K282 PolarHBondContact NE2-NZ 3.33Å |
| 193 | K | 80 | Confident | 73.9 | Confident | 129 Ų | 129 | 78.6 Ų | 78.6 | 56% | 0.561 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.2 | -36.4 | 177.4 | -70.4 | -178.3 | 176.9 | -168.4 | 0 | 112.2 | T189 V190 I191 L195 T196 N197 | T189-K193 WeakPolarHBondContact O-CG 3.41Å; T189-K193 PolarHBondContact O-N 3.2Å; V190-K193 PolarHBondContact O-N 3Å; I191-K193 PolarHBondContact O-N 3.29Å; K193-L195 PolarHBondContact O-N 3.34Å; K193-L195 VanDerWaalsContact O-N 3.14Å; K193-T196 PolarHBondContact O-N 2.99Å; K193-N197 WeakPolarHBondContact O-CB 3.28Å; K193-N197 PolarHBondContact O-N 2.87Å; K193-N197 VanDerWaalsContact O-N 3.11Å; K193-N197 PolarHBondContact O-OD1 3.11Å |
| 194 | S | 76.1 | Confident | 72.7 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 12% | 0.119 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.6 | -11.7 | 178 | 78.5 | 0 | 0 | 0 | 0 | 114.8 | V190 I191 H192 | V190-S194 PolarHBondContact O-N 2.85Å; I191-S194 PolarHBondContact O-N 3.24Å; I191-S194 PolarHBondContact O-OG 3.45Å; H192-S194 VanDerWaalsContact C-N 3.3Å; H192-S194 PolarHBondContact O-N 3.38Å |
| 195 | L | 76.7 | Confident | 71.8 | Confident | 11 Ų | 11 | 81.8 Ų | 81.8 | 6% | 0.058 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -7.9 | 178.3 | -63.3 | 171.7 | 0 | 0 | 0 | 113.7 | I191 H192 K193 F264 F278 | I191-L195 HydrophobicContact CG2-CD1 4.23Å; I191-L195 WeakPolarHBondContact O-CG 3.41Å; I191-L195 PolarHBondContact O-N 3.04Å; H192-L195 PolarHBondContact O-N 3.49Å; K193-L195 PolarHBondContact O-N 3.34Å; K193-L195 VanDerWaalsContact O-N 3.14Å; L195-F264 HydrophobicContact CD1-CE2 3.94Å; L195-F264 HydrophobicContact CD1-CZ 3.87Å; L195-F278 HydrophobicContact CD1-CB 3.86Å; L195-F278 HydrophobicContact CD1-CD1 3.72Å; L195-F278 HydrophobicContact CD1-CD2 3.51Å; L195-F278 HydrophobicContact CD1-CE1 4.15Å; L195-F278 HydrophobicContact CD1-CE2 3.96Å; L195-F278 HydrophobicContact CD1-CG 3.38Å; L195-F278 HydrophobicContact CD1-CZ 4.26Å |
| 196 | T | 74.9 | Confident | 71 | Confident | 74 Ų | 74 | 88.3 Ų | 88.3 | 45% | 0.454 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | -2 | -174.3 | 61.1 | 0 | 0 | 0 | 0 | 115.4 | H192 K193 | H192-T196 PolarHBondContact O-N 2.87Å; H192-T196 PolarHBondContact O-OG1 2.77Å; H192-T196 VanDerWaalsContact O-OG1 3.12Å; K193-T196 PolarHBondContact O-N 2.99Å |
| 197 | N | 64.1 | Low | 70.4 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 52% | 0.524 | 44% | 0.441 | S | S | . | . | trans | -86.1 | 119 | 174.5 | -84.8 | 39.2 | 0 | 0 | 0 | 110.4 | K193 D199 | K193-N197 WeakPolarHBondContact O-CB 3.28Å; K193-N197 PolarHBondContact O-N 2.87Å; K193-N197 VanDerWaalsContact O-N 3.11Å; K193-N197 PolarHBondContact O-OD1 3.11Å; N197-D199 PolarHBondContact O-N 3.07Å | ||
| 198 | D | 51.5 | Low | 69.7 | Low | 167 Ų | 167 | 86.7 Ų | 86.7 | 89% | 0.893 | 44% | 0.443 | S | S | * | . | trans | -71 | -16.1 | 166.1 | -64.2 | -59.6 | 0 | 0 | 0 | 112.6 | ||||
| 199 | D | 47.6 | Very low | 69.3 | Low | 130 Ų | 130 | 90 Ų | 90 | 70% | 0.695 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -65.2 | 135.5 | 177.6 | -95 | -43.9 | 0 | 0 | 0 | 112.6 | N197 Q201 | N197-D199 PolarHBondContact O-N 3.07Å; D199-Q201 PolarHBondContact O-N 2.6Å |
| 200 | K | 49.4 | Very low | 69.2 | Low | 203 Ų | 203 | 91.2 Ų | 91.2 | 88% | 0.883 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -70.5 | 19.6 | -160.3 | -61.7 | 178.2 | -179.9 | 175 | 0 | 116.7 | T202 | K200-T202 PolarHBondContact O-N 3.12Š|
| 201 | Q | 51.9 | Low | 69.2 | Low | 180 Ų | 180 | 89.8 Ų | 89.8 | 84% | 0.841 | 45% | 0.451 | S | S | * | . | trans | -96.9 | 75.3 | 166 | -71.4 | -167.3 | -3.4 | 0 | 0 | 110.4 | D199 I203 | D199-Q201 PolarHBondContact O-N 2.6Å; Q201-I203 PolarHBondContact O-N 3.17Å | ||
| 202 | T | 54.5 | Low | 69.3 | Low | 119 Ų | 119 | 89.9 Ų | 89.9 | 73% | 0.73 | 45% | 0.452 | S | S | * | . | trans | -60.4 | 99.9 | 168.4 | 24.4 | 0 | 0 | 0 | 0 | 110.1 | K200 S204 | K200-T202 PolarHBondContact O-N 3.12Å; T202-S204 PolarHBondContact O-N 3.07Å | ||
| 203 | I | 59.9 | Low | 69.5 | Low | 52 Ų | 52 | 90.7 Ų | 90.7 | 27% | 0.267 | 46% | 0.461 | S | S | . | . | trans | -54.2 | 113.3 | 164.2 | -70.7 | 171.2 | 0 | 0 | 0 | 106.7 | Q201 N207 R208 | Q201-I203 PolarHBondContact O-N 3.17Å; I203-N207 HydrophobicContact CG2-CB 3.58Å; I203-R208 HydrophobicContact CG2-CG 4.03Å; I203-R208 PolarHBondContact O-NE 3.2Å; I203-R208 PolarHBondContact O-NH2 2.87Å; I203-R208 VanDerWaalsContact O-NH2 3.13Å | ||
| 204 | S | 66.9 | Low | 69.9 | Low | 52 Ų | 52 | 88.4 Ų | 88.4 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | trans | -58.6 | 155.7 | -172.2 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | T202 R206 N207 R208 | T202-S204 PolarHBondContact O-N 3.07Å; S204-R206 PolarHBondContact O-N 3.25Å; S204-N207 WeakPolarHBondContact O-CA 3.26Å; S204-N207 WeakPolarHBondContact O-CB 3.26Å; S204-N207 PolarHBondContact O-N 3.41Å; S204-N207 VanDerWaalsContact OG-CG 3.23Å; S204-N207 PolarHBondContact OG-N 2.77Å; S204-N207 PolarHBondContact OG-OD1 2.83Å; S204-R208 PolarHBondContact O-N 2.79Å | ||
| 205 | T | 70.1 | Confident | 70.6 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 46% | 0.46 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -51.3 | -45 | 177.4 | -39.3 | 0 | 0 | 0 | 0 | 110.9 | N207 R208 E209 | T205-N207 VanDerWaalsContact C-N 3.34Å; T205-N207 PolarHBondContact O-N 3.17Å; T205-R208 WeakPolarHBondContact O-CA 3.33Å; T205-R208 WeakPolarHBondContact O-CB 3.33Å; T205-R208 PolarHBondContact O-N 2.97Å; T205-E209 WeakPolarHBondContact CG2-OE1 3.41Å; T205-E209 WeakPolarHBondContact O-CG 3.25Å; T205-E209 PolarHBondContact O-N 3.11Å |
| 206 | R | 73.3 | Confident | 71.2 | Confident | 185 Ų | 185 | 91.9 Ų | 91.9 | 70% | 0.698 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -55.6 | -40.9 | 173.2 | -170.8 | 172.9 | -177.2 | 154.7 | 1.5 | 114 | S204 E209 I210 | S204-R206 PolarHBondContact O-N 3.25Å; R206-E209 WeakPolarHBondContact CA-OE2 3.33Å; R206-E209 PolarHBondContact O-N 2.59Å; R206-I210 HydrophobicContact CG-CD1 4.24Å; R206-I210 WeakPolarHBondContact O-CD1 3.32Å; R206-I210 VanDerWaalsContact O-CG1 3.23Å; R206-I210 WeakPolarHBondContact O-CG1 3.25Å; R206-I210 PolarHBondContact O-N 3.47Å |
| 207 | N | 74.8 | Confident | 72 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.1 | -30.7 | 176.8 | -69.6 | 3.2 | 0 | 0 | 0 | 111.9 | I203 S204 T205 L211 | I203-N207 HydrophobicContact CG2-CB 3.58Å; S204-N207 WeakPolarHBondContact O-CA 3.26Å; S204-N207 WeakPolarHBondContact O-CB 3.26Å; S204-N207 PolarHBondContact O-N 3.41Å; S204-N207 VanDerWaalsContact OG-CG 3.23Å; S204-N207 PolarHBondContact OG-N 2.77Å; S204-N207 PolarHBondContact OG-OD1 2.83Å; T205-N207 VanDerWaalsContact C-N 3.34Å; T205-N207 PolarHBondContact O-N 3.17Å; N207-L211 WeakPolarHBondContact O-CG 3.35Å; N207-L211 PolarHBondContact O-N 3.46Å; N207-L211 VanDerWaalsContact O-N 3.1Å |
| 208 | R | 73.7 | Confident | 73.4 | Confident | 31 Ų | 31 | 90.9 Ų | 90.9 | 12% | 0.117 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69 | -42.8 | 172 | -56.1 | 176.8 | -155.4 | -175.7 | 3.1 | 111.2 | I203 S204 T205 I210 L211 V212 F268 | I203-R208 HydrophobicContact CG2-CG 4.03Å; I203-R208 PolarHBondContact O-NE 3.2Å; I203-R208 PolarHBondContact O-NH2 2.87Å; I203-R208 VanDerWaalsContact O-NH2 3.13Å; S204-R208 PolarHBondContact O-N 2.79Å; T205-R208 WeakPolarHBondContact O-CA 3.33Å; T205-R208 WeakPolarHBondContact O-CB 3.33Å; T205-R208 PolarHBondContact O-N 2.97Å; R208-I210 PolarHBondContact O-N 3.24Å; R208-L211 PolarHBondContact O-N 3.48Å; R208-V212 WeakPolarHBondContact O-CG2 3.3Å; R208-V212 PolarHBondContact O-N 3.29Å; R208-F268 HydrophobicContact CB-CE1 4.09Å; R208-F268 HydrophobicContact CB-CZ 3.93Å |
| 209 | E | 78.2 | Confident | 75.4 | Confident | 88 Ų | 88 | 83 Ų | 83 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 174.4 | -69.7 | 159 | -171.5 | 0 | 0 | 111.7 | T205 R206 V212 T213 | T205-E209 WeakPolarHBondContact CG2-OE1 3.41Å; T205-E209 WeakPolarHBondContact O-CG 3.25Å; T205-E209 PolarHBondContact O-N 3.11Å; R206-E209 WeakPolarHBondContact CA-OE2 3.33Å; R206-E209 PolarHBondContact O-N 2.59Å; E209-V212 PolarHBondContact O-N 2.95Å; E209-T213 WeakPolarHBondContact O-CB 3.28Å; E209-T213 PolarHBondContact O-N 3.17Å; E209-T213 PolarHBondContact O-OG1 3.44Å |
| 210 | I | 82.7 | Confident | 77.5 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 174.7 | -70.7 | 163.5 | 0 | 0 | 0 | 111.1 | R206 R208 T213 L214 | R206-I210 HydrophobicContact CG-CD1 4.24Å; R206-I210 WeakPolarHBondContact O-CD1 3.32Å; R206-I210 VanDerWaalsContact O-CG1 3.23Å; R206-I210 WeakPolarHBondContact O-CG1 3.25Å; R206-I210 PolarHBondContact O-N 3.47Å; R208-I210 PolarHBondContact O-N 3.24Å; I210-T213 PolarHBondContact O-N 2.89Å; I210-L214 WeakPolarHBondContact O-CB 3.5Å; I210-L214 PolarHBondContact O-N 3.2Å |
| 211 | L | 81.7 | Confident | 79.7 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 18% | 0.183 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.8 | -74.2 | 167.4 | 0 | 0 | 0 | 112.6 | V190 I191 N207 R208 L214 V215 | V190-L211 HydrophobicContact CB-CD1 4.46Å; V190-L211 HydrophobicContact CG1-CD1 3.73Å; V190-L211 HydrophobicContact CG1-CD2 4.3Å; I191-L211 HydrophobicContact CD1-CB 4.03Å; I191-L211 HydrophobicContact CG1-CB 3.74Å; I191-L211 HydrophobicContact CG1-CD1 4.22Å; N207-L211 WeakPolarHBondContact O-CG 3.35Å; N207-L211 PolarHBondContact O-N 3.46Å; N207-L211 VanDerWaalsContact O-N 3.1Å; R208-L211 PolarHBondContact O-N 3.48Å; L211-L214 PolarHBondContact O-N 2.93Å; L211-V215 WeakPolarHBondContact O-CG2 3.22Å; L211-V215 PolarHBondContact O-N 3.22Å |
| 212 | V | 84.7 | Confident | 81.7 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 175.3 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | I191 R208 E209 L214 V215 K216 L261 F264 L265 F268 | I191-V212 HydrophobicContact CD1-CG2 4.04Å; R208-V212 WeakPolarHBondContact O-CG2 3.3Å; R208-V212 PolarHBondContact O-N 3.29Å; E209-V212 PolarHBondContact O-N 2.95Å; V212-L214 VanDerWaalsContact C-N 3.33Å; V212-L214 PolarHBondContact O-N 3.41Å; V212-V215 PolarHBondContact O-N 3.22Å; V212-K216 PolarHBondContact O-N 3.47Å; V212-L261 HydrophobicContact CG1-CD1 3.87Å; V212-L261 HydrophobicContact CG1-CD2 4.48Å; V212-L261 HydrophobicContact CG1-CG 4.28Å; V212-L261 HydrophobicContact CG2-CD1 4.5Å; V212-F264 HydrophobicContact CG2-CD1 4.3Å; V212-F264 HydrophobicContact CG2-CE1 3.79Å; V212-L265 HydrophobicContact CG1-CD1 3.78Å; V212-L265 HydrophobicContact CG1-CD2 3.76Å; V212-L265 HydrophobicContact CG1-CG 3.8Å; V212-F268 HydrophobicContact CG2-CE2 4.22Å; V212-F268 HydrophobicContact CG2-CZ 4Å |
| 213 | T | 86.9 | Confident | 83.5 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 47% | 0.466 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | E209 I210 K216 N217 | E209-T213 WeakPolarHBondContact O-CB 3.28Å; E209-T213 PolarHBondContact O-N 3.17Å; E209-T213 PolarHBondContact O-OG1 3.44Å; I210-T213 PolarHBondContact O-N 2.89Å; T213-K216 PolarHBondContact O-N 2.91Å; T213-N217 VanDerWaalsContact O-CG 3.24Å; T213-N217 PolarHBondContact O-N 3.05Å; T213-N217 PolarHBondContact O-OD1 3.4Å |
| 214 | L | 88.3 | Confident | 85.1 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.5 | -174.7 | 152.1 | 0 | 0 | 0 | 112.1 | A187 I210 L211 V212 K218 | A187-L214 HydrophobicContact CB-CD2 3.82Å; I210-L214 WeakPolarHBondContact O-CB 3.5Å; I210-L214 PolarHBondContact O-N 3.2Å; L211-L214 PolarHBondContact O-N 2.93Å; V212-L214 VanDerWaalsContact C-N 3.33Å; V212-L214 PolarHBondContact O-N 3.41Å; L214-K218 HydrophobicContact CD2-CG 4.4Å; L214-K218 WeakPolarHBondContact O-CB 3.49Å; L214-K218 WeakPolarHBondContact O-CG 3.36Å; L214-K218 PolarHBondContact O-N 2.82Å; L214-K218 VanDerWaalsContact O-N 3.08Å |
| 215 | V | 90.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 173.2 | 163.9 | 0 | 0 | 0 | 0 | 111.2 | I184 A187 I191 L211 V212 K218 M219 L261 F281 | I184-V215 HydrophobicContact CG2-CG1 4.17Å; A187-V215 HydrophobicContact CB-CG2 3.66Å; I191-V215 HydrophobicContact CD1-CG2 3.9Å; L211-V215 WeakPolarHBondContact O-CG2 3.22Å; L211-V215 PolarHBondContact O-N 3.22Å; V212-V215 PolarHBondContact O-N 3.22Å; V215-K218 PolarHBondContact O-N 3.13Å; V215-M219 HydrophobicContact CG1-CG 4.49Å; V215-M219 WeakPolarHBondContact O-CG 3.46Å; V215-M219 PolarHBondContact O-N 3.29Å; V215-L261 HydrophobicContact CG1-CD2 4.08Å; V215-F281 HydrophobicContact CG1-CZ 4.16Å |
| 216 | K | 90.7 | Very high | 87.4 | Confident | 100 Ų | 100 | 56.1 Ų | 56.1 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.6 | -55 | 178 | -174.7 | 178.7 | 177.4 | -179.1 | 0 | 111.3 | V212 T213 K218 M219 D220 L261 | V212-K216 PolarHBondContact O-N 3.47Å; T213-K216 PolarHBondContact O-N 2.91Å; K216-K218 PolarHBondContact O-N 2.97Å; K216-K218 VanDerWaalsContact O-N 3.12Å; K216-M219 WeakPolarHBondContact O-CA 3.46Å; K216-M219 WeakPolarHBondContact O-CB 3.38Å; K216-M219 PolarHBondContact O-N 3.39Å; K216-D220 VanDerWaalsContact O-CG 3.25Å; K216-D220 PolarHBondContact O-N 3.46Å; K216-L261 HydrophobicContact CB-CD2 4.38Å |
| 217 | N | 91.8 | Very high | 88.3 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.7 | -33 | 179.1 | -63.3 | 6.9 | 0 | 0 | 0 | 112.1 | T213 D220 N221 | T213-N217 VanDerWaalsContact O-CG 3.24Å; T213-N217 PolarHBondContact O-N 3.05Å; T213-N217 PolarHBondContact O-OD1 3.4Å; N217-D220 PolarHBondContact O-N 3.34Å; N217-N221 PolarHBondContact O-N 3.25Å; N217-N221 VanDerWaalsContact O-N 3.12Å; N217-N221 PolarHBondContact O-OD1 3.11Å; N217-N221 VanDerWaalsContact O-OD1 3.11Å |
| 218 | K | 93 | Very high | 89.1 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -79.7 | -25.5 | 176 | -67.1 | -67 | 164.9 | -152.3 | 0 | 114.2 | I180 L183 I184 L214 V215 K216 D220 N221 L222 | I180-K218 VanDerWaalsContact CG2-O 3.28Å; I180-K218 WeakPolarHBondContact CG2-O 3.43Å; L183-K218 HydrophobicContact CD1-CD 4.4Å; I184-K218 HydrophobicContact CD1-CB 4.3Å; I184-K218 HydrophobicContact CG1-CB 3.6Å; L214-K218 HydrophobicContact CD2-CG 4.4Å; L214-K218 WeakPolarHBondContact O-CB 3.49Å; L214-K218 WeakPolarHBondContact O-CG 3.36Å; L214-K218 PolarHBondContact O-N 2.82Å; L214-K218 VanDerWaalsContact O-N 3.08Å; V215-K218 PolarHBondContact O-N 3.13Å; K216-K218 PolarHBondContact O-N 2.97Å; K216-K218 VanDerWaalsContact O-N 3.12Å; K218-D220 VanDerWaalsContact C-N 3.32Å; K218-N221 PolarHBondContact NZ-OD1 2.97Å; K218-L222 WeakPolarHBondContact O-CB 3.44Å; K218-L222 PolarHBondContact O-N 3.12Å |
| 219 | M | 92.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 165.9 | -71.4 | -71.3 | -62.6 | 0 | 0 | 111.1 | I184 V215 K216 L222 E223 I254 V257 M285 L288 | I184-M219 HydrophobicContact CD1-CG 4.45Å; I184-M219 HydrophobicContact CD1-SD 3.97Å; I184-M219 HydrophobicContact CG2-SD 4.5Å; V215-M219 HydrophobicContact CG1-CG 4.49Å; V215-M219 WeakPolarHBondContact O-CG 3.46Å; V215-M219 PolarHBondContact O-N 3.29Å; K216-M219 WeakPolarHBondContact O-CA 3.46Å; K216-M219 WeakPolarHBondContact O-CB 3.38Å; K216-M219 PolarHBondContact O-N 3.39Å; M219-L222 WeakPolarHBondContact O-CB 3.5Å; M219-L222 PolarHBondContact O-N 3.25Å; M219-L222 VanDerWaalsContact O-N 3.14Å; M219-L222 HydrophobicContact SD-CD2 4.4Å; M219-E223 PolarHBondContact O-N 3.14Å; M219-I254 HydrophobicContact CE-CB 4.03Å; M219-I254 HydrophobicContact CE-CG1 3.78Å; M219-I254 HydrophobicContact CE-CG2 3.97Å; M219-V257 HydrophobicContact CE-CB 3.77Å; M219-V257 HydrophobicContact CE-CG1 3.45Å; M219-V257 VanDerWaalsContact CE-CG1 3.45Å; M219-V257 HydrophobicContact SD-CG1 4.01Å; M219-M285 HydrophobicContact SD-SD 4.38Å; M219-L288 HydrophobicContact CE-CD2 3.74Å; M219-L288 HydrophobicContact SD-CD2 3.96Å |
| 220 | D | 93.3 | Very high | 90.2 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.3 | -43.3 | 177 | -50.5 | -30.3 | 0 | 0 | 0 | 110.8 | K216 N217 K218 L222 E223 E224 R258 | K216-D220 VanDerWaalsContact O-CG 3.25Å; K216-D220 PolarHBondContact O-N 3.46Å; N217-D220 PolarHBondContact O-N 3.34Å; K218-D220 VanDerWaalsContact C-N 3.32Å; D220-L222 VanDerWaalsContact C-N 3.28Å; D220-L222 PolarHBondContact O-N 3.08Å; D220-E223 PolarHBondContact O-N 3.08Å; D220-E224 PolarHBondContact O-N 2.83Å; D220-E224 VanDerWaalsContact O-N 3.12Å; D220-R258 IonicContact OD1-CZ 3.83Å; D220-R258 IonicContact OD1-NE 2.69Å; D220-R258 PolarHBondContact OD1-NE 2.97Å; D220-R258 IonicContact OD1-NH2 2.91Å; D220-R258 PolarHBondContact OD1-NH2 2.98Å |
| 221 | N | 93.8 | Very high | 90.4 | Very high | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.9 | -36 | 168.2 | -76.9 | 118.7 | 0 | 0 | 0 | 113 | I180 N217 K218 A225 | I180-N221 HydrophobicContact CD1-CB 4.21Å; I180-N221 WeakPolarHBondContact CD1-O 3.3Å; I180-N221 HydrophobicContact CG2-CB 4.14Å; N217-N221 PolarHBondContact O-N 3.25Å; N217-N221 VanDerWaalsContact O-N 3.12Å; N217-N221 PolarHBondContact O-OD1 3.11Å; N217-N221 VanDerWaalsContact O-OD1 3.11Å; K218-N221 PolarHBondContact NZ-OD1 2.97Å; N221-A225 VanDerWaalsContact O-CB 3.3Å; N221-A225 WeakPolarHBondContact O-CB 3.45Å; N221-A225 PolarHBondContact O-N 3.36Å |
| 222 | L | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.8 | -38.3 | -179 | -173.2 | 71.7 | 0 | 0 | 0 | 111.3 | V177 I180 W181 I184 K218 M219 D220 S226 I254 L288 | V177-L222 HydrophobicContact CG1-CD1 3.78Å; V177-L222 WeakPolarHBondContact O-CD1 3.45Å; I180-L222 HydrophobicContact CB-CD1 4.15Å; I180-L222 HydrophobicContact CG2-CB 3.86Å; I180-L222 HydrophobicContact CG2-CD1 4.03Å; W181-L222 HydrophobicContact CB-CD1 4.23Å; W181-L222 HydrophobicContact CE3-CD2 4.42Å; I184-L222 HydrophobicContact CD1-CB 4.12Å; I184-L222 HydrophobicContact CD1-CD2 3.92Å; I184-L222 HydrophobicContact CD1-CG 4.45Å; K218-L222 WeakPolarHBondContact O-CB 3.44Å; K218-L222 PolarHBondContact O-N 3.12Å; M219-L222 WeakPolarHBondContact O-CB 3.5Å; M219-L222 PolarHBondContact O-N 3.25Å; M219-L222 VanDerWaalsContact O-N 3.14Å; M219-L222 HydrophobicContact SD-CD2 4.4Å; D220-L222 VanDerWaalsContact C-N 3.28Å; D220-L222 PolarHBondContact O-N 3.08Å; L222-S226 VanDerWaalsContact O-CB 3.24Å; L222-S226 WeakPolarHBondContact O-CB 3.29Å; L222-S226 PolarHBondContact O-N 3.15Å; L222-S226 PolarHBondContact O-OG 3.36Å; L222-I254 HydrophobicContact CB-CD1 4.38Å; L222-I254 HydrophobicContact CD2-CD1 4.06Å; L222-I254 HydrophobicContact CD2-CG1 4.26Å; L222-I254 HydrophobicContact CG-CD1 4.11Å; L222-L288 HydrophobicContact CD2-CD2 4.05Å |
| 223 | E | 93.7 | Very high | 90.2 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -55.8 | 173.3 | -170.8 | 165.8 | -112.1 | 0 | 0 | 110.3 | M219 D220 A225 S226 E227 L251 I254 R258 | M219-E223 PolarHBondContact O-N 3.14Å; D220-E223 PolarHBondContact O-N 3.08Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 3.12Å; E223-S226 CarbonylContact O-C 3.56Å; E223-S226 WeakPolarHBondContact O-CA 3.33Å; E223-S226 WeakPolarHBondContact O-CB 3.42Å; E223-S226 PolarHBondContact O-N 3.46Å; E223-E227 PolarHBondContact O-N 2.96Å; E223-L251 HydrophobicContact CG-CD2 3.84Å; E223-I254 HydrophobicContact CB-CD1 4.04Å; E223-I254 HydrophobicContact CB-CG2 4.48Å; E223-R258 IonicContact OE1-CZ 3.77Å; E223-R258 IonicContact OE1-NH1 3.76Å; E223-R258 PolarHBondContact OE1-NH1 2.77Å; E223-R258 IonicContact OE1-NH2 2.67Å; E223-R258 IonicContact OE2-CZ 3.7Å; E223-R258 VanDerWaalsContact OE2-CZ 3.25Å; E223-R258 IonicContact OE2-NH1 2.74Å; E223-R258 PolarHBondContact OE2-NH1 2.98Å; E223-R258 IonicContact OE2-NH2 2.71Å; E223-R258 PolarHBondContact OE2-NH2 3.12Å |
| 224 | E | 94 | Very high | 89.3 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.8 | -44.4 | 178.2 | -168.9 | -150.1 | 177.7 | 0 | 0 | 112.5 | D220 S226 K228 | D220-E224 PolarHBondContact O-N 2.83Å; D220-E224 VanDerWaalsContact O-N 3.12Å; E224-S226 VanDerWaalsContact C-N 3.35Å; E224-K228 WeakPolarHBondContact O-CG 3.12Å; E224-K228 PolarHBondContact O-N 2.71Å; E224-K228 VanDerWaalsContact O-N 3.08Å; E224-K228 WeakPolarHBondContact OE1-CE 3.49Å; E224-K228 IonicContact OE1-NZ 2.65Å; E224-K228 PolarHBondContact OE1-NZ 2.91Å; E224-K228 IonicContact OE2-NZ 2.92Å |
| 225 | A | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.8 | -33 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V177 I180 N221 E223 K228 V229 | V177-A225 HydrophobicContact CG2-CB 3.75Å; V177-A225 WeakPolarHBondContact CG2-O 3.47Å; I180-A225 HydrophobicContact CD1-CB 3.47Å; I180-A225 VanDerWaalsContact CD1-CB 3.47Å; N221-A225 VanDerWaalsContact O-CB 3.3Å; N221-A225 WeakPolarHBondContact O-CB 3.45Å; N221-A225 PolarHBondContact O-N 3.36Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 3.12Å; A225-K228 PolarHBondContact O-N 3.37Å; A225-V229 PolarHBondContact O-N 2.69Å |
| 226 | S | 91.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.7 | -41.5 | 176.2 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | L222 E223 E224 K228 V229 L230 V247 I250 | L222-S226 VanDerWaalsContact O-CB 3.24Å; L222-S226 WeakPolarHBondContact O-CB 3.29Å; L222-S226 PolarHBondContact O-N 3.15Å; L222-S226 PolarHBondContact O-OG 3.36Å; E223-S226 CarbonylContact O-C 3.56Å; E223-S226 WeakPolarHBondContact O-CA 3.33Å; E223-S226 WeakPolarHBondContact O-CB 3.42Å; E223-S226 PolarHBondContact O-N 3.46Å; E224-S226 VanDerWaalsContact C-N 3.35Å; S226-K228 VanDerWaalsContact C-N 3.28Å; S226-K228 PolarHBondContact O-N 3.05Å; S226-V229 WeakPolarHBondContact O-CB 3.05Å; S226-V229 PolarHBondContact O-N 3.11Å; S226-L230 PolarHBondContact O-N 2.77Å; S226-V247 VanDerWaalsContact O-CG1 3.29Å; S226-V247 WeakPolarHBondContact O-CG1 3.23Å; S226-I250 WeakPolarHBondContact OG-CG2 3.11Å |
| 227 | E | 92.5 | Very high | 85 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -35.4 | 172.1 | -70.1 | -167.6 | 154.1 | 0 | 0 | 112.3 | E223 V229 L230 N231 L251 | E223-E227 PolarHBondContact O-N 2.96Å; E227-V229 VanDerWaalsContact C-N 3.28Å; E227-V229 PolarHBondContact O-N 3.24Å; E227-L230 WeakPolarHBondContact O-CB 3.32Å; E227-L230 PolarHBondContact O-N 2.78Å; E227-L230 VanDerWaalsContact O-N 3.13Å; E227-N231 VanDerWaalsContact O-CB 3.3Å; E227-N231 WeakPolarHBondContact O-CB 3.44Å; E227-N231 PolarHBondContact O-N 2.78Å; E227-N231 PolarHBondContact O-ND2 2.89Å; E227-N231 VanDerWaalsContact O-ND2 3.17Å; E227-L251 HydrophobicContact CG-CD1 4.44Å; E227-L251 HydrophobicContact CG-CD2 4.04Å |
| 228 | K | 91.1 | Very high | 83.4 | Confident | 99 Ų | 99 | 55.6 Ų | 55.6 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.4 | -30.1 | 172.9 | -72.6 | 168.9 | -172.9 | 173.7 | 0 | 113 | T173 E224 A225 S226 | T173-K228 HydrophobicContact CG2-CB 3.76Å; E224-K228 WeakPolarHBondContact O-CG 3.12Å; E224-K228 PolarHBondContact O-N 2.71Å; E224-K228 VanDerWaalsContact O-N 3.08Å; E224-K228 WeakPolarHBondContact OE1-CE 3.49Å; E224-K228 IonicContact OE1-NZ 2.65Å; E224-K228 PolarHBondContact OE1-NZ 2.91Å; E224-K228 IonicContact OE2-NZ 2.92Å; A225-K228 PolarHBondContact O-N 3.37Å; S226-K228 VanDerWaalsContact C-N 3.28Å; S226-K228 PolarHBondContact O-N 3.05Å |
| 229 | V | 88.3 | Confident | 81.6 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.1 | -38 | 169.7 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | Y170 T173 V174 V177 A225 S226 E227 V247 | Y170-V229 HydrophobicContact CE2-CG1 3.79Å; Y170-V229 WeakPolarHBondContact OH-CG1 3.34Å; T173-V229 HydrophobicContact CG2-CG2 3.65Å; V174-V229 HydrophobicContact CG2-CG1 4.04Å; V174-V229 HydrophobicContact CG2-CG2 4.08Å; V177-V229 HydrophobicContact CG2-CG2 3.96Å; A225-V229 PolarHBondContact O-N 2.69Å; S226-V229 WeakPolarHBondContact O-CB 3.05Å; S226-V229 PolarHBondContact O-N 3.11Å; E227-V229 VanDerWaalsContact C-N 3.28Å; E227-V229 PolarHBondContact O-N 3.24Å; V229-V247 HydrophobicContact CB-CG2 3.96Å; V229-V247 HydrophobicContact CG1-CG2 3.74Å |
| 230 | L | 87.3 | Confident | 79.7 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 178.3 | -171 | 62.3 | 0 | 0 | 0 | 112.6 | S226 E227 F232 T244 V247 K248 L251 | S226-L230 PolarHBondContact O-N 2.77Å; E227-L230 WeakPolarHBondContact O-CB 3.32Å; E227-L230 PolarHBondContact O-N 2.78Å; E227-L230 VanDerWaalsContact O-N 3.13Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-T244 HydrophobicContact CD1-CG2 3.87Å; L230-V247 HydrophobicContact CB-CG1 3.83Å; L230-V247 HydrophobicContact CD1-CG1 4.27Å; L230-V247 HydrophobicContact CG-CG1 4.49Å; L230-K248 HydrophobicContact CD1-CG 4.39Å; L230-L251 HydrophobicContact CD2-CD1 3.94Å |
| 231 | N | 87.1 | Confident | 78.5 | Confident | 101 Ų | 101 | 62.4 Ų | 62.4 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 10.7 | -173.8 | -67.5 | -43.9 | 0 | 0 | 0 | 113.3 | E227 K233 | E227-N231 VanDerWaalsContact O-CB 3.3Å; E227-N231 WeakPolarHBondContact O-CB 3.44Å; E227-N231 PolarHBondContact O-N 2.78Å; E227-N231 PolarHBondContact O-ND2 2.89Å; E227-N231 VanDerWaalsContact O-ND2 3.17Å; N231-K233 PolarHBondContact O-N 2.81Å; N231-K233 VanDerWaalsContact O-N 3.12Å |
| 232 | F | 84 | Confident | 77.7 | Confident | 40 Ų | 40 | 63 Ų | 63 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | trans | -71.2 | 104.4 | -179.7 | -165.9 | -82.2 | 0 | 0 | 0 | 111 | L166 K169 Y170 L230 M238 | L166-F232 HydrophobicContact CB-CE1 4.33Å; L166-F232 HydrophobicContact CB-CZ 4.34Å; L166-F232 HydrophobicContact CD2-CE1 4.08Å; L166-F232 HydrophobicContact CD2-CZ 3.89Å; L166-F232 VanDerWaalsContact O-CZ 3.28Å; L166-F232 WeakPolarHBondContact O-CZ 3.26Å; K169-F232 HydrophobicContact CB-CE2 3.94Å; K169-F232 HydrophobicContact CB-CZ 4Å; Y170-F232 HydrophobicContact CD2-CB 4.1Å; Y170-F232 AromaticContact CD2-CD1 3.77Å; Y170-F232 HydrophobicContact CD2-CD1 3.77Å; Y170-F232 HydrophobicContact CD2-CD2 4.1Å; Y170-F232 HydrophobicContact CD2-CE1 4.19Å; Y170-F232 AromaticContact CD2-CG 3.72Å; Y170-F232 HydrophobicContact CD2-CG 3.72Å; Y170-F232 HydrophobicContact CE2-CB 4.36Å; Y170-F232 HydrophobicContact CE2-CG 4.45Å; L230-F232 VanDerWaalsContact C-N 3.33Å; F232-M238 HydrophobicContact CB-CE 3.87Å; F232-M238 HydrophobicContact CD1-CE 3.77Å; F232-M238 HydrophobicContact CG-CE 4.22Å; F232-M238 WeakPolarHBondContact O-CE 3.38Å | ||
| 233 | K | 78.6 | Confident | 77.2 | Confident | 180 Ų | 180 | 63.8 Ų | 63.8 | 78% | 0.783 | 35% | 0.353 | S | S | * | . | trans | -101 | 156.9 | -174.7 | -71.7 | 176.6 | -178.5 | 179.7 | 0 | 112.9 | N231 | N231-K233 PolarHBondContact O-N 2.81Å; N231-K233 VanDerWaalsContact O-N 3.12Å | ||
| 234 | G | 66.8 | Low | 76.8 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 87.1 | 13.8 | 163 | 0 | 0 | 0 | 0 | 0 | 116.7 | R162 L166 | R162-G234 PolarHBondContact NH2-O 3.23Å; L166-G234 VanDerWaalsContact CD1-O 3.26Å; L166-G234 WeakPolarHBondContact CD1-O 3.42Å |
| 235 | Y | 65.4 | Low | 76.5 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 4% | 0.043 | 35% | 0.354 | C | S | . | . | trans | -121.1 | 106.8 | 172.6 | 170.7 | -111.3 | 0 | 0 | 0 | 110.5 | L166 E167 G237 M238 I298 | L166-Y235 HydrophobicContact CB-CD2 4.12Å; L166-Y235 HydrophobicContact CB-CG 4.21Å; E167-Y235 HydrophobicContact CG-CD2 4.26Å; E167-Y235 HydrophobicContact CG-CE1 4.15Å; E167-Y235 HydrophobicContact CG-CE2 3.39Å; E167-Y235 VanDerWaalsContact CG-OH 3.25Å; E167-Y235 WeakPolarHBondContact CG-OH 3.49Å; E167-Y235 WeakPolarHBondContact OE1-CE2 3.4Å; E167-Y235 VanDerWaalsContact OE1-CZ 3.3Å; E167-Y235 PolarHBondContact OE1-OH 2.9Å; Y235-G237 VanDerWaalsContact C-N 3.33Å; Y235-G237 VanDerWaalsContact CZ-CA 3.41Å; Y235-G237 PolarHBondContact O-N 2.95Å; Y235-M238 HydrophobicContact CD1-CB 4.37Å; Y235-M238 HydrophobicContact CD1-CG 3.61Å; Y235-M238 HydrophobicContact CE1-CG 4.03Å; Y235-I298 HydrophobicContact CE1-CD1 3.76Å | ||
| 236 | D | 58.2 | Low | 76.3 | Confident | 146 Ų | 146 | 63.7 Ų | 63.7 | 78% | 0.781 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -19.8 | -172.2 | -54 | -36.5 | 0 | 0 | 0 | 113.1 | M238 | D236-M238 PolarHBondContact O-N 2.65Å; D236-M238 VanDerWaalsContact O-N 3.11Å |
| 237 | G | 56.9 | Low | 76.3 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 0 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y235 K239 | Y235-G237 VanDerWaalsContact C-N 3.33Å; Y235-G237 VanDerWaalsContact CZ-CA 3.41Å; Y235-G237 PolarHBondContact O-N 2.95Å; G237-K239 PolarHBondContact O-N 2.84Å |
| 238 | M | 57.8 | Low | 76.2 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | trans | -60.5 | 122.2 | 170.1 | -80.8 | -129.8 | -146.2 | 0 | 0 | 110.8 | Y170 F232 Y235 D236 G240 | Y170-M238 HydrophobicContact CD2-CE 3.75Å; Y170-M238 HydrophobicContact CE2-CE 3.41Å; Y170-M238 VanDerWaalsContact CE2-CE 3.41Å; Y170-M238 HydrophobicContact CE2-SD 3.9Å; F232-M238 HydrophobicContact CB-CE 3.87Å; F232-M238 HydrophobicContact CD1-CE 3.77Å; F232-M238 HydrophobicContact CG-CE 4.22Å; F232-M238 WeakPolarHBondContact O-CE 3.38Å; Y235-M238 HydrophobicContact CD1-CB 4.37Å; Y235-M238 HydrophobicContact CD1-CG 3.61Å; Y235-M238 HydrophobicContact CE1-CG 4.03Å; D236-M238 PolarHBondContact O-N 2.65Å; D236-M238 VanDerWaalsContact O-N 3.11Å; M238-G240 PolarHBondContact O-N 2.97Å | ||
| 239 | K | 55.2 | Low | 76.3 | Confident | 189 Ų | 189 | 64.2 Ų | 64.2 | 82% | 0.822 | 36% | 0.361 | S | S | * | . | trans | -70.3 | 66 | 151 | -70.7 | -168.7 | 175.3 | -174.8 | 0 | 109.1 | G237 G241 A242 | G237-K239 PolarHBondContact O-N 2.84Å; K239-G241 PolarHBondContact O-N 3.04Å; K239-A242 PolarHBondContact O-N 3.48Å | ||
| 240 | G | 52.8 | Low | 76.4 | Confident | 37 Ų | 37 | 64 Ų | 64 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -0.6 | -158 | 0 | 0 | 0 | 0 | 0 | 116.6 | M238 T244 | M238-G240 PolarHBondContact O-N 2.97Å; G240-T244 WeakPolarHBondContact O-CB 3.32Å; G240-T244 PolarHBondContact O-OG1 2.77Å |
| 241 | G | 66.3 | Low | 76.7 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -38.6 | 165 | 0 | 0 | 0 | 0 | 0 | 113 | K239 N245 | K239-G241 PolarHBondContact O-N 3.04Å; G241-N245 WeakPolarHBondContact O-CB 3.28Å; G241-N245 PolarHBondContact O-N 3.23Å; G241-N245 PolarHBondContact O-ND2 3.07Å |
| 242 | A | 76.8 | Confident | 77 | Confident | 62 Ų | 62 | 63 Ų | 63 | 51% | 0.512 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.1 | -66.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K239 T244 N245 V246 | K239-A242 PolarHBondContact O-N 3.48Å; A242-T244 VanDerWaalsContact C-N 3.34Å; A242-T244 PolarHBondContact O-N 2.77Å; A242-N245 PolarHBondContact O-N 3.26Å; A242-V246 WeakPolarHBondContact O-CG2 3.46Å; A242-V246 PolarHBondContact O-N 3.39Å |
| 243 | N | 84.3 | Confident | 77.4 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.5 | -34.5 | 179.1 | -82.1 | -8.8 | 0 | 0 | 0 | 111.6 | Y170 N245 V246 V247 R296 | Y170-N243 WeakPolarHBondContact OH-CB 3.39Å; Y170-N243 PolarHBondContact OH-ND2 3.48Å; N243-N245 VanDerWaalsContact C-N 3.35Å; N243-N245 PolarHBondContact O-N 3.28Å; N243-V246 CarbonylContact O-C 3.49Å; N243-V246 WeakPolarHBondContact O-CB 3.48Å; N243-V246 PolarHBondContact O-N 3.36Å; N243-V246 VanDerWaalsContact O-N 3.13Å; N243-V247 WeakPolarHBondContact O-CG2 3.45Å; N243-V247 PolarHBondContact O-N 2.95Å; N243-R296 PolarHBondContact ND2-O 3Å; N243-R296 PolarHBondContact OD1-N 3.47Å |
| 244 | T | 84.9 | Confident | 78.1 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.6 | -45.1 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | L230 G240 A242 V247 K248 | L230-T244 HydrophobicContact CD1-CG2 3.87Å; G240-T244 WeakPolarHBondContact O-CB 3.32Å; G240-T244 PolarHBondContact O-OG1 2.77Å; A242-T244 VanDerWaalsContact C-N 3.34Å; A242-T244 PolarHBondContact O-N 2.77Å; T244-V247 PolarHBondContact O-N 3.13Å; T244-K248 WeakPolarHBondContact O-CG 3.4Å; T244-K248 PolarHBondContact O-N 3.41Å |
| 245 | N | 87.4 | Confident | 79.3 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.5 | -34.7 | 176.6 | -71.3 | -13.2 | 0 | 0 | 0 | 111.9 | G241 A242 N243 Q249 | G241-N245 WeakPolarHBondContact O-CB 3.28Å; G241-N245 PolarHBondContact O-N 3.23Å; G241-N245 PolarHBondContact O-ND2 3.07Å; A242-N245 PolarHBondContact O-N 3.26Å; N243-N245 VanDerWaalsContact C-N 3.35Å; N243-N245 PolarHBondContact O-N 3.28Å; N245-Q249 WeakPolarHBondContact O-CG 3.42Å; N245-Q249 PolarHBondContact O-N 3.07Å |
| 246 | V | 89.7 | Confident | 80.5 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 171.8 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | A242 N243 Q249 I250 A291 K294 L295 | A242-V246 WeakPolarHBondContact O-CG2 3.46Å; A242-V246 PolarHBondContact O-N 3.39Å; N243-V246 CarbonylContact O-C 3.49Å; N243-V246 WeakPolarHBondContact O-CB 3.48Å; N243-V246 PolarHBondContact O-N 3.36Å; N243-V246 VanDerWaalsContact O-N 3.13Å; V246-Q249 CarbonylContact O-C 3.59Å; V246-Q249 WeakPolarHBondContact O-CB 3.5Å; V246-Q249 PolarHBondContact O-N 3.43Å; V246-Q249 VanDerWaalsContact O-N 3.16Å; V246-I250 HydrophobicContact CG1-CD1 3.97Å; V246-I250 WeakPolarHBondContact O-CG1 3.43Å; V246-I250 PolarHBondContact O-N 3Å; V246-A291 WeakPolarHBondContact CG1-O 3.47Å; V246-K294 HydrophobicContact CG1-CB 3.95Å; V246-K294 HydrophobicContact CG2-CB 3.82Å; V246-L295 HydrophobicContact CB-CD2 4.17Å; V246-L295 HydrophobicContact CG1-CD2 3.63Å; V246-L295 HydrophobicContact CG1-CG 3.83Å |
| 247 | V | 90.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 177 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | S226 V229 L230 N243 T244 Q249 I250 L251 L295 | S226-V247 VanDerWaalsContact O-CG1 3.29Å; S226-V247 WeakPolarHBondContact O-CG1 3.23Å; V229-V247 HydrophobicContact CB-CG2 3.96Å; V229-V247 HydrophobicContact CG1-CG2 3.74Å; L230-V247 HydrophobicContact CB-CG1 3.83Å; L230-V247 HydrophobicContact CD1-CG1 4.27Å; L230-V247 HydrophobicContact CG-CG1 4.49Å; N243-V247 WeakPolarHBondContact O-CG2 3.45Å; N243-V247 PolarHBondContact O-N 2.95Å; T244-V247 PolarHBondContact O-N 3.13Å; V247-Q249 VanDerWaalsContact C-N 3.28Å; V247-Q249 PolarHBondContact O-N 3.02Å; V247-I250 WeakPolarHBondContact O-CB 3.24Å; V247-I250 PolarHBondContact O-N 3.09Å; V247-L251 HydrophobicContact CG1-CD1 3.99Å; V247-L251 HydrophobicContact CG1-CG 4.33Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; V247-L251 PolarHBondContact O-N 3.29Å; V247-L295 HydrophobicContact CG2-CD2 3.76Å |
| 248 | K | 91.5 | Very high | 83.8 | Confident | 108 Ų | 108 | 53.5 Ų | 53.5 | 47% | 0.47 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.5 | -39.3 | 172 | -71.9 | 175.5 | 178.9 | -177.8 | 0 | 112.1 | L230 T244 N252 | L230-K248 HydrophobicContact CD1-CG 4.39Å; T244-K248 WeakPolarHBondContact O-CG 3.4Å; T244-K248 PolarHBondContact O-N 3.41Å; K248-N252 WeakPolarHBondContact O-CB 3.47Å; K248-N252 VanDerWaalsContact O-CG 3.25Å; K248-N252 PolarHBondContact O-N 2.66Å; K248-N252 PolarHBondContact O-OD1 3.36Å |
| 249 | Q | 92.2 | Very high | 85.4 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.5 | -33 | 173.3 | -71.4 | 175 | 26.1 | 0 | 0 | 113.3 | N245 V246 V247 K253 | N245-Q249 WeakPolarHBondContact O-CG 3.42Å; N245-Q249 PolarHBondContact O-N 3.07Å; V246-Q249 CarbonylContact O-C 3.59Å; V246-Q249 WeakPolarHBondContact O-CB 3.5Å; V246-Q249 PolarHBondContact O-N 3.43Å; V246-Q249 VanDerWaalsContact O-N 3.16Å; V247-Q249 VanDerWaalsContact C-N 3.28Å; V247-Q249 PolarHBondContact O-N 3.02Å; Q249-K253 VanDerWaalsContact O-CB 3.31Å; Q249-K253 WeakPolarHBondContact O-CB 3.42Å; Q249-K253 WeakPolarHBondContact O-CD 3.43Å; Q249-K253 VanDerWaalsContact O-CG 3.24Å; Q249-K253 WeakPolarHBondContact O-CG 3.39Å; Q249-K253 PolarHBondContact O-N 3.05Å; Q249-K253 VanDerWaalsContact O-N 3.16Å |
| 250 | I | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.1 | -51.2 | 174.5 | -71.3 | 165.3 | 0 | 0 | 0 | 110 | S226 V246 V247 N252 K253 I254 L288 A291 V292 L295 | S226-I250 WeakPolarHBondContact OG-CG2 3.11Å; V246-I250 HydrophobicContact CG1-CD1 3.97Å; V246-I250 WeakPolarHBondContact O-CG1 3.43Å; V246-I250 PolarHBondContact O-N 3Å; V247-I250 WeakPolarHBondContact O-CB 3.24Å; V247-I250 PolarHBondContact O-N 3.09Å; I250-N252 PolarHBondContact O-N 3.41Å; I250-K253 CarbonylContact O-C 3.6Å; I250-K253 PolarHBondContact O-N 2.89Å; I250-K253 VanDerWaalsContact O-N 3.15Å; I250-I254 HydrophobicContact CG2-CD1 3.92Å; I250-I254 HydrophobicContact CG2-CG1 4.47Å; I250-I254 WeakPolarHBondContact O-CG1 3.5Å; I250-I254 PolarHBondContact O-N 3.25Å; I250-L288 HydrophobicContact CB-CD1 4.46Å; I250-L288 HydrophobicContact CG2-CD1 4.04Å; I250-A291 HydrophobicContact CG1-CB 3.69Å; I250-V292 HydrophobicContact CD1-CG2 4.05Å; I250-V292 HydrophobicContact CG1-CG2 4.17Å; I250-L295 HydrophobicContact CD1-CD1 3.6Å; I250-L295 HydrophobicContact CD1-CD2 4.1Å; I250-L295 HydrophobicContact CD1-CG 3.76Å |
| 251 | L | 93.2 | Very high | 89 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 179.6 | -66.1 | 170.2 | 0 | 0 | 0 | 111.6 | E223 E227 L230 V247 K253 I254 | E223-L251 HydrophobicContact CG-CD2 3.84Å; E227-L251 HydrophobicContact CG-CD1 4.44Å; E227-L251 HydrophobicContact CG-CD2 4.04Å; L230-L251 HydrophobicContact CD2-CD1 3.94Å; V247-L251 HydrophobicContact CG1-CD1 3.99Å; V247-L251 HydrophobicContact CG1-CG 4.33Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; V247-L251 PolarHBondContact O-N 3.29Å; L251-K253 VanDerWaalsContact C-N 3.33Å; L251-K253 PolarHBondContact O-N 3.07Å; L251-I254 WeakPolarHBondContact O-CB 3.37Å; L251-I254 PolarHBondContact O-N 2.95Å |
| 252 | N | 92.8 | Very high | 90.1 | Very high | 113 Ų | 113 | 47.2 Ų | 47.2 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 175.7 | -69.3 | 7.9 | 0 | 0 | 0 | 112 | K248 I250 I254 V255 D256 | K248-N252 WeakPolarHBondContact O-CB 3.47Å; K248-N252 VanDerWaalsContact O-CG 3.25Å; K248-N252 PolarHBondContact O-N 2.66Å; K248-N252 PolarHBondContact O-OD1 3.36Å; I250-N252 PolarHBondContact O-N 3.41Å; N252-I254 VanDerWaalsContact C-N 3.33Å; N252-I254 PolarHBondContact O-N 3.48Å; N252-V255 WeakPolarHBondContact O-CB 3.45Å; N252-V255 PolarHBondContact O-N 3.37Å; N252-D256 PolarHBondContact O-N 2.74Å |
| 253 | K | 93.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.6 | -23.6 | 179.1 | -76.3 | 174.3 | 171.9 | 177.9 | 0 | 113.9 | Q249 I250 L251 V255 D256 V257 M287 L288 A291 | Q249-K253 VanDerWaalsContact O-CB 3.31Å; Q249-K253 WeakPolarHBondContact O-CB 3.42Å; Q249-K253 WeakPolarHBondContact O-CD 3.43Å; Q249-K253 VanDerWaalsContact O-CG 3.24Å; Q249-K253 WeakPolarHBondContact O-CG 3.39Å; Q249-K253 PolarHBondContact O-N 3.05Å; Q249-K253 VanDerWaalsContact O-N 3.16Å; I250-K253 CarbonylContact O-C 3.6Å; I250-K253 PolarHBondContact O-N 2.89Å; I250-K253 VanDerWaalsContact O-N 3.15Å; L251-K253 VanDerWaalsContact C-N 3.33Å; L251-K253 PolarHBondContact O-N 3.07Å; K253-V255 VanDerWaalsContact C-N 3.26Å; K253-V255 PolarHBondContact O-N 2.95Å; K253-D256 PolarHBondContact O-N 2.9Å; K253-V257 WeakPolarHBondContact O-CB 3.38Å; K253-V257 VanDerWaalsContact O-CG2 3.25Å; K253-V257 WeakPolarHBondContact O-CG2 3.47Å; K253-V257 PolarHBondContact O-N 3Å; K253-M287 HydrophobicContact CD-CB 4.41Å; K253-M287 WeakPolarHBondContact CD-O 3.38Å; K253-M287 PolarHBondContact NZ-O 3.13Å; K253-L288 HydrophobicContact CB-CB 4.45Å; K253-L288 HydrophobicContact CB-CD1 3.99Å; K253-A291 HydrophobicContact CD-CB 4.09Å |
| 254 | I | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 171.9 | -77.4 | 168.8 | 0 | 0 | 0 | 110.2 | M219 L222 E223 I250 L251 N252 R258 L288 | M219-I254 HydrophobicContact CE-CB 4.03Å; M219-I254 HydrophobicContact CE-CG1 3.78Å; M219-I254 HydrophobicContact CE-CG2 3.97Å; L222-I254 HydrophobicContact CB-CD1 4.38Å; L222-I254 HydrophobicContact CD2-CD1 4.06Å; L222-I254 HydrophobicContact CD2-CG1 4.26Å; L222-I254 HydrophobicContact CG-CD1 4.11Å; E223-I254 HydrophobicContact CB-CD1 4.04Å; E223-I254 HydrophobicContact CB-CG2 4.48Å; I250-I254 HydrophobicContact CG2-CD1 3.92Å; I250-I254 HydrophobicContact CG2-CG1 4.47Å; I250-I254 WeakPolarHBondContact O-CG1 3.5Å; I250-I254 PolarHBondContact O-N 3.25Å; L251-I254 WeakPolarHBondContact O-CB 3.37Å; L251-I254 PolarHBondContact O-N 2.95Å; N252-I254 VanDerWaalsContact C-N 3.33Å; N252-I254 PolarHBondContact O-N 3.48Å; I254-R258 WeakPolarHBondContact O-CB 3.32Å; I254-R258 WeakPolarHBondContact O-CG 3.34Å; I254-R258 PolarHBondContact O-N 3.34Å; I254-L288 HydrophobicContact CG1-CD1 4.29Å; I254-L288 HydrophobicContact CG1-CD2 4.23Å |
| 255 | V | 91.4 | Very high | 90.9 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 44% | 0.436 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -49.7 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | N252 K253 V257 R258 N259 | N252-V255 WeakPolarHBondContact O-CB 3.45Å; N252-V255 PolarHBondContact O-N 3.37Å; K253-V255 VanDerWaalsContact C-N 3.26Å; K253-V255 PolarHBondContact O-N 2.95Å; V255-V257 VanDerWaalsContact C-N 3.31Å; V255-V257 PolarHBondContact O-N 2.94Å; V255-R258 PolarHBondContact O-N 3.01Å; V255-N259 VanDerWaalsContact O-CG 3.31Å; V255-N259 PolarHBondContact O-N 3.28Å; V255-N259 PolarHBondContact O-ND2 2.87Å |
| 256 | D | 91.7 | Very high | 90.8 | Very high | 84 Ų | 84 | 48.8 Ų | 48.8 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 176.6 | -73 | -39.6 | 0 | 0 | 0 | 112.3 | N252 K253 N259 S260 R284 | N252-D256 PolarHBondContact O-N 2.74Å; K253-D256 PolarHBondContact O-N 2.9Å; D256-N259 PolarHBondContact O-N 3.34Å; D256-S260 PolarHBondContact O-N 2.89Å; D256-S260 VanDerWaalsContact O-N 3.13Å; D256-S260 PolarHBondContact O-OG 3.04Å; D256-R284 WeakPolarHBondContact O-CD 3.34Å |
| 257 | V | 92.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -49 | 178.9 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | M219 K253 V255 N259 S260 L261 F281 R284 M285 L288 | M219-V257 HydrophobicContact CE-CB 3.77Å; M219-V257 HydrophobicContact CE-CG1 3.45Å; M219-V257 VanDerWaalsContact CE-CG1 3.45Å; M219-V257 HydrophobicContact SD-CG1 4.01Å; K253-V257 WeakPolarHBondContact O-CB 3.38Å; K253-V257 VanDerWaalsContact O-CG2 3.25Å; K253-V257 WeakPolarHBondContact O-CG2 3.47Å; K253-V257 PolarHBondContact O-N 3Å; V255-V257 VanDerWaalsContact C-N 3.31Å; V255-V257 PolarHBondContact O-N 2.94Å; V257-N259 VanDerWaalsContact C-N 3.32Å; V257-N259 PolarHBondContact O-N 3.23Å; V257-S260 PolarHBondContact O-N 3.33Å; V257-S260 PolarHBondContact O-OG 3.1Å; V257-L261 WeakPolarHBondContact O-CB 3.37Å; V257-L261 PolarHBondContact O-N 3.25Å; V257-F281 HydrophobicContact CG1-CD2 4.23Å; V257-F281 HydrophobicContact CG1-CE2 3.72Å; V257-R284 HydrophobicContact CG2-CB 3.9Å; V257-M285 HydrophobicContact CG1-CG 4.02Å; V257-M285 HydrophobicContact CG1-SD 3.56Å; V257-M285 VanDerWaalsContact CG1-SD 3.56Å; V257-M285 HydrophobicContact CG2-CG 4.48Å; V257-M285 HydrophobicContact CG2-SD 4.29Å; V257-L288 HydrophobicContact CB-CD2 4.49Å; V257-L288 HydrophobicContact CG2-CB 4.17Å; V257-L288 HydrophobicContact CG2-CD2 4Å |
| 258 | R | 91.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 21% | 0.211 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56 | -44.6 | 175.7 | -80.1 | -179.8 | 177.4 | 139.1 | -4.3 | 111.9 | D220 E223 I254 V255 S260 L261 N262 | D220-R258 IonicContact OD1-CZ 3.83Å; D220-R258 IonicContact OD1-NE 2.69Å; D220-R258 PolarHBondContact OD1-NE 2.97Å; D220-R258 IonicContact OD1-NH2 2.91Å; D220-R258 PolarHBondContact OD1-NH2 2.98Å; E223-R258 IonicContact OE1-CZ 3.77Å; E223-R258 IonicContact OE1-NH1 3.76Å; E223-R258 PolarHBondContact OE1-NH1 2.77Å; E223-R258 IonicContact OE1-NH2 2.67Å; E223-R258 IonicContact OE2-CZ 3.7Å; E223-R258 VanDerWaalsContact OE2-CZ 3.25Å; E223-R258 IonicContact OE2-NH1 2.74Å; E223-R258 PolarHBondContact OE2-NH1 2.98Å; E223-R258 IonicContact OE2-NH2 2.71Å; E223-R258 PolarHBondContact OE2-NH2 3.12Å; I254-R258 WeakPolarHBondContact O-CB 3.32Å; I254-R258 WeakPolarHBondContact O-CG 3.34Å; I254-R258 PolarHBondContact O-N 3.34Å; V255-R258 PolarHBondContact O-N 3.01Å; R258-S260 PolarHBondContact O-N 3.5Å; R258-L261 WeakPolarHBondContact O-CB 3.37Å; R258-L261 PolarHBondContact O-N 3.47Å; R258-N262 VanDerWaalsContact O-CG 3.31Å; R258-N262 PolarHBondContact O-N 3.32Å; R258-N262 PolarHBondContact O-ND2 3.31Å |
| 259 | N | 91.8 | Very high | 89.3 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 49% | 0.492 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 178.7 | -72.2 | -21 | 0 | 0 | 0 | 111.6 | V255 D256 V257 N262 T263 | V255-N259 VanDerWaalsContact O-CG 3.31Å; V255-N259 PolarHBondContact O-N 3.28Å; V255-N259 PolarHBondContact O-ND2 2.87Å; D256-N259 PolarHBondContact O-N 3.34Å; V257-N259 VanDerWaalsContact C-N 3.32Å; V257-N259 PolarHBondContact O-N 3.23Å; N259-N262 PolarHBondContact O-N 3.19Å; N259-T263 PolarHBondContact O-N 2.87Å; N259-T263 PolarHBondContact O-OG1 3.38Å; N259-T263 VanDerWaalsContact O-OG1 3.08Å |
| 260 | S | 92.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.5 | -30.7 | 175.9 | 64 | 0 | 0 | 0 | 0 | 114.5 | D256 V257 R258 T263 F264 R284 | D256-S260 PolarHBondContact O-N 2.89Å; D256-S260 VanDerWaalsContact O-N 3.13Å; D256-S260 PolarHBondContact O-OG 3.04Å; V257-S260 PolarHBondContact O-N 3.33Å; V257-S260 PolarHBondContact O-OG 3.1Å; R258-S260 PolarHBondContact O-N 3.5Å; S260-T263 PolarHBondContact O-N 2.87Å; S260-F264 PolarHBondContact O-N 3.23Å; S260-R284 WeakPolarHBondContact OG-CD 3.49Å |
| 261 | L | 90.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 173.6 | -176.5 | 58.8 | 0 | 0 | 0 | 111.2 | V212 V215 K216 V257 R258 T263 F264 L265 F281 | V212-L261 HydrophobicContact CG1-CD1 3.87Å; V212-L261 HydrophobicContact CG1-CD2 4.48Å; V212-L261 HydrophobicContact CG1-CG 4.28Å; V212-L261 HydrophobicContact CG2-CD1 4.5Å; V215-L261 HydrophobicContact CG1-CD2 4.08Å; K216-L261 HydrophobicContact CB-CD2 4.38Å; V257-L261 WeakPolarHBondContact O-CB 3.37Å; V257-L261 PolarHBondContact O-N 3.25Å; R258-L261 WeakPolarHBondContact O-CB 3.37Å; R258-L261 PolarHBondContact O-N 3.47Å; L261-T263 VanDerWaalsContact C-N 3.35Å; L261-F264 HydrophobicContact CD1-CD1 4.18Å; L261-F264 PolarHBondContact O-N 2.86Å; L261-L265 HydrophobicContact CG-CD1 4.48Å; L261-L265 PolarHBondContact O-N 3.44Å; L261-F281 HydrophobicContact CB-CD2 4.11Å; L261-F281 HydrophobicContact CB-CE2 3.96Å; L261-F281 HydrophobicContact CD1-CD1 4.34Å; L261-F281 HydrophobicContact CD1-CD2 4.41Å; L261-F281 HydrophobicContact CD1-CE1 3.88Å; L261-F281 HydrophobicContact CD1-CE2 3.96Å; L261-F281 HydrophobicContact CD1-CZ 3.7Å; L261-F281 HydrophobicContact CG-CE2 4.4Å |
| 262 | N | 89.2 | Confident | 87.6 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 174.3 | -66.4 | -22.8 | 0 | 0 | 0 | 111.7 | R258 N259 L265 S266 | R258-N262 VanDerWaalsContact O-CG 3.31Å; R258-N262 PolarHBondContact O-N 3.32Å; R258-N262 PolarHBondContact O-ND2 3.31Å; N259-N262 PolarHBondContact O-N 3.19Å; N262-L265 WeakPolarHBondContact O-CB 3.41Å; N262-L265 PolarHBondContact O-N 3.18Å; N262-S266 PolarHBondContact O-N 2.98Å; N262-S266 PolarHBondContact O-OG 3.1Å |
| 263 | T | 90 | Very high | 87.3 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.3 | -35.1 | 173.5 | -46.7 | 0 | 0 | 0 | 0 | 112.9 | N259 S260 L261 S266 T267 | N259-T263 PolarHBondContact O-N 2.87Å; N259-T263 PolarHBondContact O-OG1 3.38Å; N259-T263 VanDerWaalsContact O-OG1 3.08Å; S260-T263 PolarHBondContact O-N 2.87Å; L261-T263 VanDerWaalsContact C-N 3.35Å; T263-S266 PolarHBondContact O-OG 3.41Å; T263-T267 WeakPolarHBondContact O-CG2 3.5Å; T263-T267 PolarHBondContact O-N 3.36Å; T263-T267 PolarHBondContact O-OG1 2.92Å |
| 264 | F | 88 | Confident | 86.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 173 | 171.3 | -118.2 | 0 | 0 | 0 | 111.7 | I191 L195 V212 S260 L261 S266 T267 F268 S274 A277 F278 | I191-F264 HydrophobicContact CG2-CE1 4.22Å; I191-F264 HydrophobicContact CG2-CZ 4.18Å; L195-F264 HydrophobicContact CD1-CE2 3.94Å; L195-F264 HydrophobicContact CD1-CZ 3.87Å; V212-F264 HydrophobicContact CG2-CD1 4.3Å; V212-F264 HydrophobicContact CG2-CE1 3.79Å; S260-F264 PolarHBondContact O-N 3.23Å; L261-F264 HydrophobicContact CD1-CD1 4.18Å; L261-F264 PolarHBondContact O-N 2.86Å; F264-S266 PolarHBondContact O-N 3.16Å; F264-T267 PolarHBondContact O-N 2.93Å; F264-T267 PolarHBondContact O-OG1 3.02Å; F264-T267 VanDerWaalsContact O-OG1 3.1Å; F264-F268 HydrophobicContact CD1-CZ 4.27Å; F264-F268 AromaticContact CE1-CE1 3.86Å; F264-F268 HydrophobicContact CE1-CE1 3.86Å; F264-F268 HydrophobicContact CE1-CE2 4.21Å; F264-F268 AromaticContact CE1-CZ 3.47Å; F264-F268 HydrophobicContact CE1-CZ 3.47Å; F264-F268 VanDerWaalsContact CE1-CZ 3.47Å; F264-F268 HydrophobicContact CE2-CD1 4.44Å; F264-F268 AromaticContact CE2-CE1 3.93Å; F264-F268 HydrophobicContact CE2-CE1 3.93Å; F264-F268 HydrophobicContact CE2-CZ 4.36Å; F264-F268 HydrophobicContact CZ-CD1 4.29Å; F264-F268 AromaticContact CZ-CE1 3.38Å; F264-F268 HydrophobicContact CZ-CE1 3.38Å; F264-F268 AromaticContact CZ-CZ 3.52Å; F264-F268 HydrophobicContact CZ-CZ 3.52Å; F264-F268 PolarHBondContact O-N 2.89Å; F264-S274 WeakPolarHBondContact CD2-O 3.47Å; F264-S274 VanDerWaalsContact CE2-OG 3.24Å; F264-S274 WeakPolarHBondContact CE2-OG 3.39Å; F264-A277 HydrophobicContact CB-CB 4.19Å; F264-A277 HydrophobicContact CD2-CB 4.46Å; F264-F278 HydrophobicContact CD1-CD2 4.48Å; F264-F278 HydrophobicContact CD2-CB 3.79Å; F264-F278 HydrophobicContact CD2-CD2 4.25Å; F264-F278 HydrophobicContact CE1-CD2 4.09Å; F264-F278 HydrophobicContact CE2-CB 3.69Å; F264-F278 AromaticContact CE2-CD2 3.85Å; F264-F278 HydrophobicContact CE2-CD2 3.85Å; F264-F278 HydrophobicContact CE2-CG 4.18Å; F264-F278 HydrophobicContact CZ-CB 4.46Å; F264-F278 AromaticContact CZ-CD2 3.76Å; F264-F278 HydrophobicContact CZ-CD2 3.76Å; F264-F278 HydrophobicContact CZ-CG 4.49Å |
| 265 | L | 85.7 | Confident | 86.5 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 172.3 | -84 | 158 | 0 | 0 | 0 | 112.2 | V212 L261 N262 T267 F268 | V212-L265 HydrophobicContact CG1-CD1 3.78Å; V212-L265 HydrophobicContact CG1-CD2 3.76Å; V212-L265 HydrophobicContact CG1-CG 3.8Å; L261-L265 HydrophobicContact CG-CD1 4.48Å; L261-L265 PolarHBondContact O-N 3.44Å; N262-L265 WeakPolarHBondContact O-CB 3.41Å; N262-L265 PolarHBondContact O-N 3.18Å; L265-T267 PolarHBondContact O-N 3.4Å; L265-T267 VanDerWaalsContact O-N 3.09Å; L265-F268 HydrophobicContact CD2-CD2 4.1Å; L265-F268 HydrophobicContact CD2-CE2 3.86Å; L265-F268 HydrophobicContact CG-CE2 4.48Å; L265-F268 PolarHBondContact O-N 3.27Å |
| 266 | S | 86 | Confident | 86.4 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 63% | 0.629 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 1.7 | -178.8 | 73.2 | 0 | 0 | 0 | 0 | 114.7 | N262 T263 F264 | N262-S266 PolarHBondContact O-N 2.98Å; N262-S266 PolarHBondContact O-OG 3.1Å; T263-S266 PolarHBondContact O-OG 3.41Å; F264-S266 PolarHBondContact O-N 3.16Å |
| 267 | T | 85.4 | Confident | 86.3 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 13% | 0.129 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 6 | 178.2 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | T263 F264 L265 S269 E270 K273 S274 A277 | T263-T267 WeakPolarHBondContact O-CG2 3.5Å; T263-T267 PolarHBondContact O-N 3.36Å; T263-T267 PolarHBondContact O-OG1 2.92Å; F264-T267 PolarHBondContact O-N 2.93Å; F264-T267 PolarHBondContact O-OG1 3.02Å; F264-T267 VanDerWaalsContact O-OG1 3.1Å; L265-T267 PolarHBondContact O-N 3.4Å; L265-T267 VanDerWaalsContact O-N 3.09Å; T267-S269 PolarHBondContact O-N 3.03Å; T267-S269 VanDerWaalsContact O-N 3.15Å; T267-E270 PolarHBondContact O-N 2.84Å; T267-K273 HydrophobicContact CG2-CB 3.86Å; T267-S274 WeakPolarHBondContact O-CB 3.5Å; T267-A277 WeakPolarHBondContact OG1-CB 3.35Å |
| 268 | F | 78.6 | Confident | 86.2 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.4 | -178 | -97.5 | -46.8 | 0 | 0 | 0 | 115.1 | R208 V212 F264 L265 E270 | R208-F268 HydrophobicContact CB-CE1 4.09Å; R208-F268 HydrophobicContact CB-CZ 3.93Å; V212-F268 HydrophobicContact CG2-CE2 4.22Å; V212-F268 HydrophobicContact CG2-CZ 4Å; F264-F268 HydrophobicContact CD1-CZ 4.27Å; F264-F268 AromaticContact CE1-CE1 3.86Å; F264-F268 HydrophobicContact CE1-CE1 3.86Å; F264-F268 HydrophobicContact CE1-CE2 4.21Å; F264-F268 AromaticContact CE1-CZ 3.47Å; F264-F268 HydrophobicContact CE1-CZ 3.47Å; F264-F268 VanDerWaalsContact CE1-CZ 3.47Å; F264-F268 HydrophobicContact CE2-CD1 4.44Å; F264-F268 AromaticContact CE2-CE1 3.93Å; F264-F268 HydrophobicContact CE2-CE1 3.93Å; F264-F268 HydrophobicContact CE2-CZ 4.36Å; F264-F268 HydrophobicContact CZ-CD1 4.29Å; F264-F268 AromaticContact CZ-CE1 3.38Å; F264-F268 HydrophobicContact CZ-CE1 3.38Å; F264-F268 AromaticContact CZ-CZ 3.52Å; F264-F268 HydrophobicContact CZ-CZ 3.52Å; F264-F268 PolarHBondContact O-N 2.89Å; L265-F268 HydrophobicContact CD2-CD2 4.1Å; L265-F268 HydrophobicContact CD2-CE2 3.86Å; L265-F268 HydrophobicContact CG-CE2 4.48Å; L265-F268 PolarHBondContact O-N 3.27Å; F268-E270 VanDerWaalsContact C-N 3.27Å; F268-E270 PolarHBondContact O-N 3.16Å |
| 269 | S | 74.8 | Confident | 86.1 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 78% | 0.776 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.6 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | T267 | T267-S269 PolarHBondContact O-N 3.03Å; T267-S269 VanDerWaalsContact O-N 3.15Å |
| 270 | E | 81.9 | Confident | 86.1 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -128 | 98.8 | -173.9 | -69.6 | -175 | -105.1 | 0 | 0 | 110.1 | T267 F268 D272 K273 S274 | T267-E270 PolarHBondContact O-N 2.84Å; F268-E270 VanDerWaalsContact C-N 3.27Å; F268-E270 PolarHBondContact O-N 3.16Å; E270-D272 VanDerWaalsContact C-N 3.32Å; E270-D272 PolarHBondContact O-N 3.08Å; E270-D272 VanDerWaalsContact O-N 3.14Å; E270-K273 HydrophobicContact CB-CB 4.07Å; E270-K273 HydrophobicContact CB-CD 4.11Å; E270-K273 HydrophobicContact CB-CG 4.17Å; E270-K273 HydrophobicContact CG-CD 4.49Å; E270-K273 PolarHBondContact O-N 3.25Å; E270-K273 WeakPolarHBondContact OE1-CD 3.45Å; E270-K273 IonicContact OE1-NZ 2.73Å; E270-K273 PolarHBondContact OE1-NZ 3.06Å; E270-K273 WeakPolarHBondContact OE2-CD 3.5Å; E270-K273 WeakPolarHBondContact OE2-CE 3.42Å; E270-K273 IonicContact OE2-NZ 2.71Å; E270-K273 PolarHBondContact OE2-NZ 3.05Å; E270-S274 PolarHBondContact O-N 3.34Å |
| 271 | M | 77.8 | Confident | 86 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 50% | 0.498 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -49.3 | -46.1 | -169.4 | -164.9 | 71.8 | 174.2 | 0 | 0 | 113.5 | K273 S274 L275 | M271-K273 PolarHBondContact O-N 3.5Å; M271-S274 WeakPolarHBondContact O-CB 3.22Å; M271-S274 PolarHBondContact O-N 3.2Å; M271-L275 WeakPolarHBondContact O-CB 3.4Å; M271-L275 PolarHBondContact O-N 3.22Å |
| 272 | D | 82.3 | Confident | 86 | Confident | 126 Ų | 126 | 67.1 Ų | 67.1 | 67% | 0.674 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.4 | -36.1 | 179.1 | -74.7 | -24.5 | 0 | 0 | 0 | 113.8 | E270 K276 | E270-D272 VanDerWaalsContact C-N 3.32Å; E270-D272 PolarHBondContact O-N 3.08Å; E270-D272 VanDerWaalsContact O-N 3.14Å; D272-K276 WeakPolarHBondContact O-CG 3.19Å; D272-K276 PolarHBondContact O-N 2.89Å |
| 273 | K | 87.4 | Confident | 86.2 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72.7 | -43.1 | 175.4 | -65.6 | -175.4 | -175.2 | 159.5 | 0 | 110.1 | T267 E270 M271 L275 K276 A277 | T267-K273 HydrophobicContact CG2-CB 3.86Å; E270-K273 HydrophobicContact CB-CB 4.07Å; E270-K273 HydrophobicContact CB-CD 4.11Å; E270-K273 HydrophobicContact CB-CG 4.17Å; E270-K273 HydrophobicContact CG-CD 4.49Å; E270-K273 PolarHBondContact O-N 3.25Å; E270-K273 WeakPolarHBondContact OE1-CD 3.45Å; E270-K273 IonicContact OE1-NZ 2.73Å; E270-K273 PolarHBondContact OE1-NZ 3.06Å; E270-K273 WeakPolarHBondContact OE2-CD 3.5Å; E270-K273 WeakPolarHBondContact OE2-CE 3.42Å; E270-K273 IonicContact OE2-NZ 2.71Å; E270-K273 PolarHBondContact OE2-NZ 3.05Å; M271-K273 PolarHBondContact O-N 3.5Å; K273-L275 VanDerWaalsContact C-N 3.33Å; K273-L275 PolarHBondContact O-N 3.2Å; K273-K276 PolarHBondContact O-N 3.45Å; K273-A277 WeakPolarHBondContact O-CB 3.49Å; K273-A277 PolarHBondContact O-N 3.4Å |
| 274 | S | 83.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.7 | -46.1 | 174.8 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | F264 T267 E270 M271 A277 F278 | F264-S274 WeakPolarHBondContact CD2-O 3.47Å; F264-S274 VanDerWaalsContact CE2-OG 3.24Å; F264-S274 WeakPolarHBondContact CE2-OG 3.39Å; T267-S274 WeakPolarHBondContact O-CB 3.5Å; E270-S274 PolarHBondContact O-N 3.34Å; M271-S274 WeakPolarHBondContact O-CB 3.22Å; M271-S274 PolarHBondContact O-N 3.2Å; S274-A277 PolarHBondContact O-N 3.47Å; S274-F278 VanDerWaalsContact O-CB 3.31Å; S274-F278 WeakPolarHBondContact O-CB 3.45Å; S274-F278 PolarHBondContact O-N 2.86Å |
| 275 | L | 83.8 | Confident | 86.4 | Confident | 81 Ų | 81 | 68.4 Ų | 68.4 | 42% | 0.424 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | -177.3 | -153.3 | 153.2 | 0 | 0 | 0 | 111.9 | M271 K273 K279 | M271-L275 WeakPolarHBondContact O-CB 3.4Å; M271-L275 PolarHBondContact O-N 3.22Å; K273-L275 VanDerWaalsContact C-N 3.33Å; K273-L275 PolarHBondContact O-N 3.2Å; L275-K279 PolarHBondContact O-N 3.47Å |
| 276 | K | 89.6 | Confident | 86.7 | Confident | 158 Ų | 158 | 69.3 Ų | 69.3 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.5 | -45.3 | 170.3 | -73.9 | 170.5 | -178.4 | 169.3 | 0 | 112.3 | D272 K273 K279 A280 | D272-K276 WeakPolarHBondContact O-CG 3.19Å; D272-K276 PolarHBondContact O-N 2.89Å; K273-K276 PolarHBondContact O-N 3.45Å; K276-K279 PolarHBondContact O-N 2.97Å; K276-A280 PolarHBondContact O-N 3.15Å |
| 277 | A | 90.5 | Very high | 87 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | F264 T267 K273 S274 K279 A280 F281 | F264-A277 HydrophobicContact CB-CB 4.19Å; F264-A277 HydrophobicContact CD2-CB 4.46Å; T267-A277 WeakPolarHBondContact OG1-CB 3.35Å; K273-A277 WeakPolarHBondContact O-CB 3.49Å; K273-A277 PolarHBondContact O-N 3.4Å; S274-A277 PolarHBondContact O-N 3.47Å; A277-K279 VanDerWaalsContact C-N 3.33Å; A277-K279 PolarHBondContact O-N 3.37Å; A277-A280 PolarHBondContact O-N 3.16Å; A277-F281 PolarHBondContact O-N 3.29Å |
| 278 | F | 89 | Confident | 87.3 | Confident | 9 Ų | 9 | 69.6 Ų | 69.6 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 175.6 | -175 | -103 | 0 | 0 | 0 | 112.3 | M188 I191 H192 L195 F264 S274 F281 K282 | M188-F278 HydrophobicContact CE-CD2 4.35Å; M188-F278 HydrophobicContact CE-CE1 4.2Å; M188-F278 HydrophobicContact CE-CE2 3.51Å; M188-F278 HydrophobicContact CE-CZ 3.41Å; M188-F278 VanDerWaalsContact CE-CZ 3.41Å; M188-F278 HydrophobicContact SD-CE2 3.56Å; M188-F278 VanDerWaalsContact SD-CE2 3.56Å; M188-F278 HydrophobicContact SD-CZ 3.62Å; I191-F278 HydrophobicContact CB-CE2 4.14Å; I191-F278 HydrophobicContact CG2-CD2 4.15Å; I191-F278 HydrophobicContact CG2-CE2 3.5Å; I191-F278 VanDerWaalsContact CG2-CE2 3.5Å; I191-F278 HydrophobicContact CG2-CZ 4.2Å; H192-F278 HydrophobicContact CB-CE1 3.9Å; H192-F278 HydrophobicContact CB-CZ 3.8Å; H192-F278 AromaticContact CG-CE1 3.86Å; H192-F278 AromaticContact ND1-CE1 3.87Å; L195-F278 HydrophobicContact CD1-CB 3.86Å; L195-F278 HydrophobicContact CD1-CD1 3.72Å; L195-F278 HydrophobicContact CD1-CD2 3.51Å; L195-F278 HydrophobicContact CD1-CE1 4.15Å; L195-F278 HydrophobicContact CD1-CE2 3.96Å; L195-F278 HydrophobicContact CD1-CG 3.38Å; L195-F278 HydrophobicContact CD1-CZ 4.26Å; F264-F278 HydrophobicContact CD1-CD2 4.48Å; F264-F278 HydrophobicContact CD2-CB 3.79Å; F264-F278 HydrophobicContact CD2-CD2 4.25Å; F264-F278 HydrophobicContact CE1-CD2 4.09Å; F264-F278 HydrophobicContact CE2-CB 3.69Å; F264-F278 AromaticContact CE2-CD2 3.85Å; F264-F278 HydrophobicContact CE2-CD2 3.85Å; F264-F278 HydrophobicContact CE2-CG 4.18Å; F264-F278 HydrophobicContact CZ-CB 4.46Å; F264-F278 AromaticContact CZ-CD2 3.76Å; F264-F278 HydrophobicContact CZ-CD2 3.76Å; F264-F278 HydrophobicContact CZ-CG 4.49Å; S274-F278 VanDerWaalsContact O-CB 3.31Å; S274-F278 WeakPolarHBondContact O-CB 3.45Å; S274-F278 PolarHBondContact O-N 2.86Å; F278-F281 HydrophobicContact CD2-CD1 4.1Å; F278-F281 HydrophobicContact CE2-CD1 4.16Å; F278-F281 HydrophobicContact CE2-CE1 4.36Å; F278-F281 PolarHBondContact O-N 3.05Å; F278-K282 WeakPolarHBondContact O-CB 3.35Å; F278-K282 PolarHBondContact O-N 2.83Å |
| 279 | K | 90 | Very high | 88 | Confident | 140 Ų | 140 | 71.1 Ų | 71.1 | 61% | 0.609 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.9 | -48.3 | 174.2 | -171.9 | 177.3 | 178.8 | -179.1 | 0 | 111.2 | L275 K276 A277 F281 K282 D283 | L275-K279 PolarHBondContact O-N 3.47Å; K276-K279 PolarHBondContact O-N 2.97Å; A277-K279 VanDerWaalsContact C-N 3.33Å; A277-K279 PolarHBondContact O-N 3.37Å; K279-F281 VanDerWaalsContact C-N 3.27Å; K279-F281 PolarHBondContact O-N 3.29Å; K279-K282 WeakPolarHBondContact O-CB 3.35Å; K279-K282 PolarHBondContact O-N 2.9Å; K279-K282 VanDerWaalsContact O-N 3.15Å; K279-D283 PolarHBondContact O-N 3.21Å |
| 280 | A | 91.4 | Very high | 88.9 | Confident | 39 Ų | 39 | 72 Ų | 72 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.7 | -25.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K276 A277 R284 | K276-A280 PolarHBondContact O-N 3.15Å; A277-A280 PolarHBondContact O-N 3.16Å; A280-R284 PolarHBondContact O-NH1 3.46Å |
| 281 | F | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.5 | -44.5 | 169.9 | 164.5 | -123.1 | 0 | 0 | 0 | 111.8 | M188 V215 V257 L261 A277 F278 K279 D283 R284 M285 | M188-F281 HydrophobicContact CE-CD1 3.51Å; M188-F281 HydrophobicContact CE-CE1 3.46Å; M188-F281 VanDerWaalsContact CE-CE1 3.46Å; M188-F281 HydrophobicContact CE-CG 4.35Å; M188-F281 HydrophobicContact CE-CZ 4.26Å; M188-F281 HydrophobicContact SD-CD1 4.04Å; M188-F281 HydrophobicContact SD-CE1 3.38Å; M188-F281 WeakPolarHBondContact SD-CE1 3.5Å; M188-F281 HydrophobicContact SD-CZ 4.08Å; V215-F281 HydrophobicContact CG1-CZ 4.16Å; V257-F281 HydrophobicContact CG1-CD2 4.23Å; V257-F281 HydrophobicContact CG1-CE2 3.72Å; L261-F281 HydrophobicContact CB-CD2 4.11Å; L261-F281 HydrophobicContact CB-CE2 3.96Å; L261-F281 HydrophobicContact CD1-CD1 4.34Å; L261-F281 HydrophobicContact CD1-CD2 4.41Å; L261-F281 HydrophobicContact CD1-CE1 3.88Å; L261-F281 HydrophobicContact CD1-CE2 3.96Å; L261-F281 HydrophobicContact CD1-CZ 3.7Å; L261-F281 HydrophobicContact CG-CE2 4.4Å; A277-F281 PolarHBondContact O-N 3.29Å; F278-F281 HydrophobicContact CD2-CD1 4.1Å; F278-F281 HydrophobicContact CE2-CD1 4.16Å; F278-F281 HydrophobicContact CE2-CE1 4.36Å; F278-F281 PolarHBondContact O-N 3.05Å; K279-F281 VanDerWaalsContact C-N 3.27Å; K279-F281 PolarHBondContact O-N 3.29Å; F281-D283 VanDerWaalsContact C-N 3.32Å; F281-D283 PolarHBondContact O-N 2.91Å; F281-R284 PolarHBondContact O-N 3.38Å; F281-M285 HydrophobicContact CD2-CG 4.03Å; F281-M285 HydrophobicContact CE2-CG 3.59Å; F281-M285 HydrophobicContact CE2-SD 4.24Å; F281-M285 HydrophobicContact CZ-CG 3.91Å; F281-M285 WeakPolarHBondContact O-CB 3.49Å; F281-M285 WeakPolarHBondContact O-CG 3.34Å; F281-M285 PolarHBondContact O-N 3.41Å |
| 282 | K | 90.6 | Very high | 90.1 | Very high | 72 Ų | 72 | 63 Ų | 63 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 174.8 | -174.1 | -177.5 | 176.1 | -172.1 | 0 | 112.3 | M188 H192 F278 K279 M285 N286 | M188-K282 HydrophobicContact CE-CB 3.61Å; M188-K282 HydrophobicContact CE-CG 4.03Å; H192-K282 PolarHBondContact CD2-NZ 3.43Å; H192-K282 PolarHBondContact NE2-NZ 3.33Å; F278-K282 WeakPolarHBondContact O-CB 3.35Å; F278-K282 PolarHBondContact O-N 2.83Å; K279-K282 WeakPolarHBondContact O-CB 3.35Å; K279-K282 PolarHBondContact O-N 2.9Å; K279-K282 VanDerWaalsContact O-N 3.15Å; K282-M285 WeakPolarHBondContact O-CB 3.43Å; K282-M285 PolarHBondContact O-N 3.35Å; K282-N286 VanDerWaalsContact O-CG 3.27Å; K282-N286 PolarHBondContact O-N 3.25Å; K282-N286 PolarHBondContact O-ND2 3.01Å |
| 283 | D | 91.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 60.5 Ų | 60.5 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | -178.8 | -65.2 | -28.1 | 0 | 0 | 0 | 112.2 | K279 F281 N286 M287 | K279-D283 PolarHBondContact O-N 3.21Å; F281-D283 VanDerWaalsContact C-N 3.32Å; F281-D283 PolarHBondContact O-N 2.91Å; D283-N286 WeakPolarHBondContact O-CB 3.44Å; D283-N286 PolarHBondContact O-N 2.98Å; D283-M287 PolarHBondContact O-N 2.89Å |
| 284 | R | 92.8 | Very high | 90.8 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 171.4 | -71.3 | 175.9 | 177.7 | 89.6 | -8.9 | 112.3 | D256 V257 S260 A280 F281 N286 M287 L288 | D256-R284 WeakPolarHBondContact O-CD 3.34Å; V257-R284 HydrophobicContact CG2-CB 3.9Å; S260-R284 WeakPolarHBondContact OG-CD 3.49Å; A280-R284 PolarHBondContact O-NH1 3.46Å; F281-R284 PolarHBondContact O-N 3.38Å; R284-N286 VanDerWaalsContact C-N 3.28Å; R284-N286 PolarHBondContact O-N 3.21Å; R284-M287 WeakPolarHBondContact O-CA 3.25Å; R284-M287 WeakPolarHBondContact O-CB 3.42Å; R284-M287 PolarHBondContact O-N 3.46Å; R284-L288 PolarHBondContact O-N 2.88Å |
| 285 | M | 91.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 171.9 | -83.5 | -67.9 | -71.9 | 0 | 0 | 112.2 | W181 I184 M219 V257 F281 K282 M287 L288 N289 | W181-M285 HydrophobicContact CH2-CE 3.48Å; W181-M285 VanDerWaalsContact CH2-CE 3.48Å; W181-M285 WeakPolarHBondContact CH2-O 3.39Å; W181-M285 HydrophobicContact CH2-SD 4.26Å; W181-M285 HydrophobicContact CZ3-CE 3.48Å; W181-M285 VanDerWaalsContact CZ3-CE 3.48Å; W181-M285 HydrophobicContact CZ3-SD 4.02Å; I184-M285 HydrophobicContact CB-CE 4.44Å; I184-M285 HydrophobicContact CG2-CE 3.42Å; I184-M285 VanDerWaalsContact CG2-CE 3.42Å; I184-M285 HydrophobicContact CG2-SD 4.48Å; M219-M285 HydrophobicContact SD-SD 4.38Å; V257-M285 HydrophobicContact CG1-CG 4.02Å; V257-M285 HydrophobicContact CG1-SD 3.56Å; V257-M285 VanDerWaalsContact CG1-SD 3.56Å; V257-M285 HydrophobicContact CG2-CG 4.48Å; V257-M285 HydrophobicContact CG2-SD 4.29Å; F281-M285 HydrophobicContact CD2-CG 4.03Å; F281-M285 HydrophobicContact CE2-CG 3.59Å; F281-M285 HydrophobicContact CE2-SD 4.24Å; F281-M285 HydrophobicContact CZ-CG 3.91Å; F281-M285 WeakPolarHBondContact O-CB 3.49Å; F281-M285 WeakPolarHBondContact O-CG 3.34Å; F281-M285 PolarHBondContact O-N 3.41Å; K282-M285 WeakPolarHBondContact O-CB 3.43Å; K282-M285 PolarHBondContact O-N 3.35Å; M285-M287 VanDerWaalsContact C-N 3.34Å; M285-M287 PolarHBondContact O-N 2.95Å; M285-L288 PolarHBondContact O-N 3.01Å; M285-L288 HydrophobicContact SD-CD2 4.32Å; M285-N289 PolarHBondContact O-N 2.94Å |
| 286 | N | 91.2 | Very high | 91.3 | Very high | 84 Ų | 84 | 64.6 Ų | 64.6 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 172.9 | -67.8 | -32.8 | 0 | 0 | 0 | 112.3 | K282 D283 R284 L288 N289 Y290 | K282-N286 VanDerWaalsContact O-CG 3.27Å; K282-N286 PolarHBondContact O-N 3.25Å; K282-N286 PolarHBondContact O-ND2 3.01Å; D283-N286 WeakPolarHBondContact O-CB 3.44Å; D283-N286 PolarHBondContact O-N 2.98Å; R284-N286 VanDerWaalsContact C-N 3.28Å; R284-N286 PolarHBondContact O-N 3.21Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-N289 WeakPolarHBondContact O-CB 3.24Å; N286-N289 PolarHBondContact O-N 3.41Å; N286-Y290 PolarHBondContact O-N 3.21Å; N286-Y290 VanDerWaalsContact O-N 3.1Å |
| 287 | M | 92 | Very high | 91.2 | Very high | 117 Ų | 117 | 60.2 Ų | 60.2 | 58% | 0.576 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.3 | -31.5 | 173.2 | -64.4 | -166.4 | -175.1 | 0 | 0 | 113.2 | K253 D283 R284 M285 A291 | K253-M287 HydrophobicContact CD-CB 4.41Å; K253-M287 WeakPolarHBondContact CD-O 3.38Å; K253-M287 PolarHBondContact NZ-O 3.13Å; D283-M287 PolarHBondContact O-N 2.89Å; R284-M287 WeakPolarHBondContact O-CA 3.25Å; R284-M287 WeakPolarHBondContact O-CB 3.42Å; R284-M287 PolarHBondContact O-N 3.46Å; M285-M287 VanDerWaalsContact C-N 3.34Å; M285-M287 PolarHBondContact O-N 2.95Å; M287-A291 PolarHBondContact O-N 3.34Å |
| 288 | L | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.6 | -43.1 | 173.4 | -179.8 | 57.2 | 0 | 0 | 0 | 111.3 | W181 M219 L222 I250 K253 I254 V257 R284 M285 N286 Y290 A291 V292 | W181-L288 HydrophobicContact CE3-CD2 4.46Å; W181-L288 HydrophobicContact CE3-CG 4.27Å; W181-L288 HydrophobicContact CZ3-CB 4.25Å; W181-L288 HydrophobicContact CZ3-CD2 3.98Å; W181-L288 HydrophobicContact CZ3-CG 3.87Å; M219-L288 HydrophobicContact CE-CD2 3.74Å; M219-L288 HydrophobicContact SD-CD2 3.96Å; L222-L288 HydrophobicContact CD2-CD2 4.05Å; I250-L288 HydrophobicContact CB-CD1 4.46Å; I250-L288 HydrophobicContact CG2-CD1 4.04Å; K253-L288 HydrophobicContact CB-CB 4.45Å; K253-L288 HydrophobicContact CB-CD1 3.99Å; I254-L288 HydrophobicContact CG1-CD1 4.29Å; I254-L288 HydrophobicContact CG1-CD2 4.23Å; V257-L288 HydrophobicContact CB-CD2 4.49Å; V257-L288 HydrophobicContact CG2-CB 4.17Å; V257-L288 HydrophobicContact CG2-CD2 4Å; R284-L288 PolarHBondContact O-N 2.88Å; M285-L288 PolarHBondContact O-N 3.01Å; M285-L288 HydrophobicContact SD-CD2 4.32Å; N286-L288 VanDerWaalsContact C-N 3.34Å; L288-Y290 VanDerWaalsContact C-N 3.28Å; L288-Y290 PolarHBondContact O-N 3.45Å; L288-A291 WeakPolarHBondContact O-CB 3.46Å; L288-A291 PolarHBondContact O-N 3.28Å; L288-V292 HydrophobicContact CD1-CG2 4.32Å; L288-V292 PolarHBondContact O-N 2.94Å |
| 289 | N | 92.5 | Very high | 90.7 | Very high | 65 Ų | 65 | 69.7 Ų | 69.7 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -49.8 | -50.3 | 170.8 | -170.1 | 17.5 | 0 | 0 | 0 | 111.3 | W181 M285 N286 A291 V292 S293 | W181-N289 HydrophobicContact CH2-CB 3.75Å; W181-N289 VanDerWaalsContact CZ2-CA 3.48Å; W181-N289 HydrophobicContact CZ2-CB 3.23Å; W181-N289 VanDerWaalsContact CZ2-CG 3.43Å; W181-N289 WeakPolarHBondContact CZ2-OD1 3.31Å; W181-N289 PolarHBondContact NE1-OD1 3.36Å; M285-N289 PolarHBondContact O-N 2.94Å; N286-N289 WeakPolarHBondContact O-CB 3.24Å; N286-N289 PolarHBondContact O-N 3.41Å; N289-A291 VanDerWaalsContact C-N 3.3Å; N289-A291 PolarHBondContact O-N 2.98Å; N289-V292 PolarHBondContact O-N 3.5Å; N289-S293 WeakPolarHBondContact O-CB 3.42Å; N289-S293 PolarHBondContact O-N 2.89Å |
| 290 | Y | 92.9 | Very high | 90.4 | Very high | 131 Ų | 131 | 66.2 Ų | 66.2 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.5 | -42.3 | 177.4 | -175.6 | -107.1 | 0 | 0 | 0 | 112 | N286 L288 S293 K294 | N286-Y290 PolarHBondContact O-N 3.21Å; N286-Y290 VanDerWaalsContact O-N 3.1Å; L288-Y290 VanDerWaalsContact C-N 3.28Å; L288-Y290 PolarHBondContact O-N 3.45Å; Y290-S293 PolarHBondContact O-N 2.69Å; Y290-S293 PolarHBondContact O-OG 3.38Å; Y290-K294 WeakPolarHBondContact O-CG 3.4Å; Y290-K294 PolarHBondContact O-N 3.32Å; Y290-K294 WeakPolarHBondContact OH-CE 3.38Å; Y290-K294 PolarHBondContact OH-NZ 3.1Å |
| 291 | A | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.8 | -48 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V246 I250 K253 M287 L288 N289 S293 K294 | V246-A291 WeakPolarHBondContact CG1-O 3.47Å; I250-A291 HydrophobicContact CG1-CB 3.69Å; K253-A291 HydrophobicContact CD-CB 4.09Å; M287-A291 PolarHBondContact O-N 3.34Å; L288-A291 WeakPolarHBondContact O-CB 3.46Å; L288-A291 PolarHBondContact O-N 3.28Å; N289-A291 VanDerWaalsContact C-N 3.3Å; N289-A291 PolarHBondContact O-N 2.98Å; A291-S293 VanDerWaalsContact C-N 3.28Å; A291-S293 PolarHBondContact O-N 3.34Å; A291-K294 WeakPolarHBondContact O-CB 3.49Å; A291-K294 PolarHBondContact O-N 3.09Å |
| 292 | V | 92.7 | Very high | 89.9 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59 | -38.9 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | V177 K178 W181 I250 L288 N289 K294 L295 | V177-V292 HydrophobicContact CG1-CG1 4.45Å; K178-V292 HydrophobicContact CG-CG1 4.28Å; W181-V292 HydrophobicContact CB-CB 4.49Å; W181-V292 HydrophobicContact CB-CG1 3.8Å; W181-V292 HydrophobicContact CB-CG2 4.38Å; W181-V292 HydrophobicContact CD2-CB 4.47Å; W181-V292 HydrophobicContact CD2-CG2 4.31Å; W181-V292 HydrophobicContact CE3-CG2 4.34Å; W181-V292 HydrophobicContact CG-CB 4.17Å; W181-V292 HydrophobicContact CG-CG1 3.83Å; W181-V292 HydrophobicContact CG-CG2 4.26Å; I250-V292 HydrophobicContact CD1-CG2 4.05Å; I250-V292 HydrophobicContact CG1-CG2 4.17Å; L288-V292 HydrophobicContact CD1-CG2 4.32Å; L288-V292 PolarHBondContact O-N 2.94Å; N289-V292 PolarHBondContact O-N 3.5Å; V292-K294 PolarHBondContact O-N 3.38Å; V292-L295 WeakPolarHBondContact O-CB 3.44Å; V292-L295 PolarHBondContact O-N 3.4Å; V292-L295 VanDerWaalsContact O-N 3.1Å |
| 293 | S | 92.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 72.2 Ų | 72.2 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.5 | -21.5 | 176.5 | 81.9 | 0 | 0 | 0 | 0 | 114.2 | N289 Y290 A291 | N289-S293 WeakPolarHBondContact O-CB 3.42Å; N289-S293 PolarHBondContact O-N 2.89Å; Y290-S293 PolarHBondContact O-N 2.69Å; Y290-S293 PolarHBondContact O-OG 3.38Å; A291-S293 VanDerWaalsContact C-N 3.28Å; A291-S293 PolarHBondContact O-N 3.34Å |
| 294 | K | 92.2 | Very high | 89.7 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -11.2 | 176.5 | -62 | -56.4 | -178.1 | -178.6 | 0 | 113.7 | V246 Y290 A291 V292 R296 | V246-K294 HydrophobicContact CG1-CB 3.95Å; V246-K294 HydrophobicContact CG2-CB 3.82Å; Y290-K294 WeakPolarHBondContact O-CG 3.4Å; Y290-K294 PolarHBondContact O-N 3.32Å; Y290-K294 WeakPolarHBondContact OH-CE 3.38Å; Y290-K294 PolarHBondContact OH-NZ 3.1Å; A291-K294 WeakPolarHBondContact O-CB 3.49Å; A291-K294 PolarHBondContact O-N 3.09Å; V292-K294 PolarHBondContact O-N 3.38Å; K294-R296 WeakPolarHBondContact O-CG 3.46Å; K294-R296 PolarHBondContact O-N 2.87Å |
| 295 | L | 90.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 117.9 | 175.3 | -72.5 | 174.7 | 0 | 0 | 0 | 110.3 | V174 V177 K178 V246 V247 I250 V292 | V174-L295 HydrophobicContact CG1-CB 4.06Å; V177-L295 HydrophobicContact CB-CD1 4.1Å; V177-L295 HydrophobicContact CG1-CD1 3.62Å; K178-L295 WeakPolarHBondContact CE-O 3.44Å; K178-L295 PolarHBondContact NZ-O 3.41Å; V246-L295 HydrophobicContact CB-CD2 4.17Å; V246-L295 HydrophobicContact CG1-CD2 3.63Å; V246-L295 HydrophobicContact CG1-CG 3.83Å; V247-L295 HydrophobicContact CG2-CD2 3.76Å; I250-L295 HydrophobicContact CD1-CD1 3.6Å; I250-L295 HydrophobicContact CD1-CD2 4.1Å; I250-L295 HydrophobicContact CD1-CG 3.76Å; V292-L295 WeakPolarHBondContact O-CB 3.44Å; V292-L295 PolarHBondContact O-N 3.4Å; V292-L295 VanDerWaalsContact O-N 3.1Å |
| 296 | R | 89 | Confident | 89.5 | Confident | 188 Ų | 188 | 70.7 Ų | 70.7 | 71% | 0.709 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -98.6 | 137.4 | -179 | -60.7 | -177.1 | -175.1 | -176.3 | -1 | 110.5 | N243 K294 | N243-R296 PolarHBondContact ND2-O 3Å; N243-R296 PolarHBondContact OD1-N 3.47Å; K294-R296 WeakPolarHBondContact O-CG 3.46Å; K294-R296 PolarHBondContact O-N 2.87Å |
| 297 | N | 87.3 | Confident | 89.3 | Confident | 67 Ų | 67 | 68 Ų | 68 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 143.1 | 163.7 | -59 | 11.7 | 0 | 0 | 0 | 107.3 | N171 Q175 K178 | N171-N297 WeakPolarHBondContact OD1-CA 3.26Å; N171-N297 WeakPolarHBondContact OD1-CB 3.46Å; Q175-N297 PolarHBondContact NE2-ND2 3.42Å; Q175-N297 VanDerWaalsContact NE2-ND2 3.11Å; K178-N297 PolarHBondContact NZ-OD1 3.34Å |
| 298 | I | 83.6 | Confident | 89.3 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 18% | 0.179 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 135.5 | 170.9 | -61.2 | -177.3 | 0 | 0 | 0 | 107.5 | E167 Y170 N171 Y235 L300 | E167-I298 HydrophobicContact CG-CG2 4.44Å; Y170-I298 HydrophobicContact CD1-CD1 3.56Å; Y170-I298 HydrophobicContact CD1-CG1 3.83Å; Y170-I298 HydrophobicContact CE1-CD1 3.63Å; Y170-I298 HydrophobicContact CE1-CG1 3.81Å; Y170-I298 HydrophobicContact CG-CD1 4.33Å; N171-I298 PolarHBondContact ND2-O 3.29Å; N171-I298 PolarHBondContact OD1-N 3.38Å; N171-I298 PolarHBondContact OD1-O 2.98Å; Y235-I298 HydrophobicContact CE1-CD1 3.76Å; I298-L300 PolarHBondContact O-N 2.84Å |
| 299 | K | 84.7 | Confident | 89.2 | Confident | 184 Ų | 184 | 72.3 Ų | 72.3 | 80% | 0.8 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 118 | 173.7 | -178.2 | -171.5 | 175.4 | -171.3 | 0 | 107.9 | Q301 | K299-Q301 WeakPolarHBondContact O-CG 3.47Å; K299-Q301 PolarHBondContact O-N 3.49Å |
| 300 | L | 84.7 | Confident | 89 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 36% | 0.356 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 119.6 | 174.7 | -175.4 | 64.3 | 0 | 0 | 0 | 109.3 | D164 E167 I298 K302 | D164-L300 HydrophobicContact CB-CD1 4.24Å; E167-L300 HydrophobicContact CB-CD1 3.84Å; E167-L300 VanDerWaalsContact OE2-CA 3.25Å; E167-L300 WeakPolarHBondContact OE2-CA 3.49Å; I298-L300 PolarHBondContact O-N 2.84Å; L300-K302 HydrophobicContact CD2-CD 3.79Å; L300-K302 HydrophobicContact CD2-CG 4.47Å; L300-K302 HydrophobicContact CG-CD 4Å; L300-K302 HydrophobicContact CG-CG 4.37Å |
| 301 | Q | 84.8 | Confident | 88.8 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | trans | -87.1 | -18.3 | -172.3 | -58.2 | -168.3 | 30.5 | 0 | 0 | 113.7 | E167 K299 | E167-Q301 PolarHBondContact OE2-N 3.19Å; K299-Q301 WeakPolarHBondContact O-CG 3.47Å; K299-Q301 PolarHBondContact O-N 3.49Å | ||
| 302 | K | 86.9 | Confident | 88.7 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 38% | 0.378 | 34% | 0.337 | S | S | . | . | trans | 59.6 | 54.6 | -177.6 | -69.6 | -52.1 | -143 | 96.8 | 0 | 112.4 | D164 L300 A304 D305 I306 | D164-K302 WeakPolarHBondContact OD1-CA 3.48Å; D164-K302 PolarHBondContact OD1-N 2.89Å; L300-K302 HydrophobicContact CD2-CD 3.79Å; L300-K302 HydrophobicContact CD2-CG 4.47Å; L300-K302 HydrophobicContact CG-CD 4Å; L300-K302 HydrophobicContact CG-CG 4.37Å; K302-A304 VanDerWaalsContact C-N 3.3Å; K302-A304 PolarHBondContact O-N 3.3Å; K302-D305 HydrophobicContact CB-CB 4Å; K302-D305 WeakPolarHBondContact CB-OD2 3.12Å; K302-D305 WeakPolarHBondContact CG-OD2 3.43Å; K302-D305 IonicContact NZ-OD1 3.45Å; K302-D305 PolarHBondContact NZ-OD1 3.5Å; K302-D305 IonicContact NZ-OD2 3.37Å; K302-D305 PolarHBondContact NZ-OD2 3.31Å; K302-D305 PolarHBondContact O-N 2.98Å; K302-I306 PolarHBondContact O-N 2.91Å | ||
| 303 | H | 89.4 | Confident | 88.6 | Confident | 40 Ų | 40 | 76.6 Ų | 76.6 | 19% | 0.185 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 177.6 | -56.3 | -84.2 | 0 | 0 | 0 | 111.1 | A160 D164 E167 I306 E307 | A160-H303 HydrophobicContact CB-CB 3.65Å; D164-H303 IonicContact OD1-CD2 3.25Å; D164-H303 PolarHBondContact OD1-CD2 3.42Å; D164-H303 PolarHBondContact OD1-N 3.39Å; D164-H303 VanDerWaalsContact OD1-N 3.08Å; D164-H303 PolarHBondContact OD2-N 2.98Å; E167-H303 IonicContact OE1-CD2 2.65Å; E167-H303 IonicContact OE1-CE1 3.74Å; E167-H303 IonicContact OE1-NE2 3.06Å; E167-H303 PolarHBondContact OE1-NE2 2.93Å; E167-H303 IonicContact OE2-NE2 2.6Å; H303-I306 WeakPolarHBondContact O-CB 3.39Å; H303-I306 PolarHBondContact O-N 3.05Å; H303-I306 VanDerWaalsContact O-N 3.16Å; H303-E307 PolarHBondContact O-N 3.43Å; H303-E307 VanDerWaalsContact O-N 3.08Å |
| 304 | A | 89.4 | Confident | 88.2 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.033 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L161 D164 K302 I306 E307 I308 | L161-A304 HydrophobicContact CD2-CB 3.53Å; L161-A304 HydrophobicContact CG-CB 3.87Å; D164-A304 WeakPolarHBondContact OD2-CB 3.38Å; D164-A304 PolarHBondContact OD2-N 3.49Å; K302-A304 VanDerWaalsContact C-N 3.3Å; K302-A304 PolarHBondContact O-N 3.3Å; A304-I306 PolarHBondContact O-N 3.39Å; A304-E307 PolarHBondContact O-N 3.24Å; A304-I308 WeakPolarHBondContact O-CB 3.4Å; A304-I308 VanDerWaalsContact O-CG1 3.26Å; A304-I308 WeakPolarHBondContact O-CG1 3.5Å; A304-I308 PolarHBondContact O-N 3.35Å |
| 305 | D | 89.9 | Confident | 88 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -20.5 | 176.7 | -54.5 | 3.6 | 0 | 0 | 0 | 111.9 | K302 R309 | K302-D305 HydrophobicContact CB-CB 4Å; K302-D305 WeakPolarHBondContact CB-OD2 3.12Å; K302-D305 WeakPolarHBondContact CG-OD2 3.43Å; K302-D305 IonicContact NZ-OD1 3.45Å; K302-D305 PolarHBondContact NZ-OD1 3.5Å; K302-D305 IonicContact NZ-OD2 3.37Å; K302-D305 PolarHBondContact NZ-OD2 3.31Å; K302-D305 PolarHBondContact O-N 2.98Å; D305-R309 VanDerWaalsContact O-CZ 3.24Å; D305-R309 PolarHBondContact O-NE 3.42Å; D305-R309 PolarHBondContact O-NH2 3.19Å |
| 306 | I | 88.6 | Confident | 87.9 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 43% | 0.426 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.4 | -48.8 | 172.2 | -64.2 | 168.1 | 0 | 0 | 0 | 109.6 | K302 H303 A304 I308 R309 N310 | K302-I306 PolarHBondContact O-N 2.91Å; H303-I306 WeakPolarHBondContact O-CB 3.39Å; H303-I306 PolarHBondContact O-N 3.05Å; H303-I306 VanDerWaalsContact O-N 3.16Å; A304-I306 PolarHBondContact O-N 3.39Å; I306-I308 VanDerWaalsContact C-N 3.34Å; I306-I308 PolarHBondContact O-N 3.11Å; I306-R309 PolarHBondContact O-N 3.14Å; I306-R309 VanDerWaalsContact O-N 3.12Å; I306-N310 PolarHBondContact O-N 2.85Å |
| 307 | E | 88.6 | Confident | 87.8 | Confident | 26 Ų | 26 | 74.6 Ų | 74.6 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.7 | -29.3 | -174.2 | -148.4 | 57.8 | -123.9 | 0 | 0 | 113.5 | K153 D156 L157 A160 H303 A304 N310 M311 | K153-E307 WeakPolarHBondContact CD-OE1 3.48Å; K153-E307 WeakPolarHBondContact CE-OE1 3.49Å; K153-E307 IonicContact NZ-OE1 3.78Å; K153-E307 PolarHBondContact NZ-OE1 3.3Å; D156-E307 HydrophobicContact CB-CG 3.84Å; L157-E307 HydrophobicContact CB-CG 4.38Å; L157-E307 HydrophobicContact CD1-CB 4.21Å; A160-E307 HydrophobicContact CB-CB 4.32Å; H303-E307 PolarHBondContact O-N 3.43Å; H303-E307 VanDerWaalsContact O-N 3.08Å; A304-E307 PolarHBondContact O-N 3.24Å; E307-N310 VanDerWaalsContact CD-ND2 3.27Å; E307-N310 PolarHBondContact O-N 3.5Å; E307-N310 WeakPolarHBondContact OE1-CB 3.47Å; E307-N310 PolarHBondContact OE1-ND2 3.02Å; E307-N310 PolarHBondContact OE2-ND2 3.42Å; E307-M311 WeakPolarHBondContact O-CG 3.48Å; E307-M311 PolarHBondContact O-N 3.38Å |
| 308 | I | 90.4 | Very high | 87.6 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 35% | 0.354 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 168.3 | -70.2 | 166.1 | 0 | 0 | 0 | 110.4 | L157 A304 I306 N310 M311 E312 | L157-I308 HydrophobicContact CD1-CD1 4.5Å; L157-I308 HydrophobicContact CD1-CG1 3.78Å; A304-I308 WeakPolarHBondContact O-CB 3.4Å; A304-I308 VanDerWaalsContact O-CG1 3.26Å; A304-I308 WeakPolarHBondContact O-CG1 3.5Å; A304-I308 PolarHBondContact O-N 3.35Å; I306-I308 VanDerWaalsContact C-N 3.34Å; I306-I308 PolarHBondContact O-N 3.11Å; I308-N310 VanDerWaalsContact C-N 3.31Å; I308-N310 PolarHBondContact O-N 3.32Å; I308-M311 HydrophobicContact CG1-CE 4.19Å; I308-M311 PolarHBondContact O-N 3.24Å; I308-M311 VanDerWaalsContact O-N 3.17Å; I308-E312 HydrophobicContact CG2-CG 4.37Å; I308-E312 WeakPolarHBondContact O-CG 3.41Å; I308-E312 PolarHBondContact O-N 3.37Å |
| 309 | R | 91.5 | Very high | 87.7 | Confident | 139 Ų | 139 | 78.8 Ų | 78.8 | 53% | 0.525 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.6 | -33 | 177.5 | -82.3 | 174.9 | -71.9 | 172.1 | -1.6 | 112.9 | D305 I306 E312 L313 | D305-R309 VanDerWaalsContact O-CZ 3.24Å; D305-R309 PolarHBondContact O-NE 3.42Å; D305-R309 PolarHBondContact O-NH2 3.19Å; I306-R309 PolarHBondContact O-N 3.14Å; I306-R309 VanDerWaalsContact O-N 3.12Å; R309-E312 WeakPolarHBondContact CA-OE2 3.45Å; R309-E312 WeakPolarHBondContact CG-OE2 3.42Å; R309-E312 PolarHBondContact O-N 3.13Å; R309-L313 VanDerWaalsContact O-CG 3.3Å; R309-L313 WeakPolarHBondContact O-CG 3.47Å; R309-L313 PolarHBondContact O-N 3.47Å |
| 310 | N | 88.6 | Confident | 87.8 | Confident | 55 Ų | 55 | 76.2 Ų | 76.2 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 173.2 | -65.5 | -18.8 | 0 | 0 | 0 | 111.6 | K153 I306 E307 I308 L313 I314 | K153-N310 HydrophobicContact CD-CB 4.4Å; I306-N310 PolarHBondContact O-N 2.85Å; E307-N310 VanDerWaalsContact CD-ND2 3.27Å; E307-N310 PolarHBondContact O-N 3.5Å; E307-N310 WeakPolarHBondContact OE1-CB 3.47Å; E307-N310 PolarHBondContact OE1-ND2 3.02Å; E307-N310 PolarHBondContact OE2-ND2 3.42Å; I308-N310 VanDerWaalsContact C-N 3.31Å; I308-N310 PolarHBondContact O-N 3.32Å; N310-L313 PolarHBondContact O-N 3.5Å; N310-I314 WeakPolarHBondContact O-CG1 3.44Å; N310-I314 PolarHBondContact O-N 2.78Å |
| 311 | M | 87.5 | Confident | 87.4 | Confident | 35 Ų | 35 | 75.9 Ų | 75.9 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 174.6 | -66.7 | -177.1 | -60.8 | 0 | 0 | 112.4 | K153 L157 E307 I308 L313 I314 L315 | K153-M311 HydrophobicContact CB-CG 3.81Å; K153-M311 HydrophobicContact CB-SD 4.41Å; L157-M311 HydrophobicContact CB-CE 4.42Å; L157-M311 HydrophobicContact CD1-CE 3.95Å; L157-M311 HydrophobicContact CD2-CE 3.72Å; L157-M311 HydrophobicContact CD2-SD 4.36Å; L157-M311 HydrophobicContact CG-CE 4.23Å; E307-M311 WeakPolarHBondContact O-CG 3.48Å; E307-M311 PolarHBondContact O-N 3.38Å; I308-M311 HydrophobicContact CG1-CE 4.19Å; I308-M311 PolarHBondContact O-N 3.24Å; I308-M311 VanDerWaalsContact O-N 3.17Å; M311-L313 VanDerWaalsContact C-N 3.31Å; M311-L313 PolarHBondContact O-N 2.9Å; M311-I314 PolarHBondContact O-N 3Å; M311-L315 WeakPolarHBondContact O-CG 3.38Å; M311-L315 PolarHBondContact O-N 3.31Å |
| 312 | E | 90.3 | Very high | 87 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 175.3 | -72 | 169.9 | 161.6 | 0 | 0 | 111.4 | I308 R309 L315 N316 | I308-E312 HydrophobicContact CG2-CG 4.37Å; I308-E312 WeakPolarHBondContact O-CG 3.41Å; I308-E312 PolarHBondContact O-N 3.37Å; R309-E312 WeakPolarHBondContact CA-OE2 3.45Å; R309-E312 WeakPolarHBondContact CG-OE2 3.42Å; R309-E312 PolarHBondContact O-N 3.13Å; E312-L315 PolarHBondContact O-N 3.08Å; E312-N316 WeakPolarHBondContact O-CB 3.43Å; E312-N316 PolarHBondContact O-N 3.1Å; E312-N316 PolarHBondContact O-ND2 2.8Å |
| 313 | L | 90 | Very high | 86.8 | Confident | 104 Ų | 104 | 73 Ų | 73 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 175.5 | -73.8 | 168.3 | 0 | 0 | 0 | 111.9 | R309 N310 M311 L315 N316 E317 | R309-L313 VanDerWaalsContact O-CG 3.3Å; R309-L313 WeakPolarHBondContact O-CG 3.47Å; R309-L313 PolarHBondContact O-N 3.47Å; N310-L313 PolarHBondContact O-N 3.5Å; M311-L313 VanDerWaalsContact C-N 3.31Å; M311-L313 PolarHBondContact O-N 2.9Å; L313-L315 VanDerWaalsContact C-N 3.33Å; L313-L315 PolarHBondContact O-N 3.17Å; L313-N316 PolarHBondContact O-N 3.24Å; L313-N316 VanDerWaalsContact O-N 3.15Å; L313-E317 WeakPolarHBondContact O-CG 3.37Å; L313-E317 PolarHBondContact O-N 3.44Å |
| 314 | I | 85.9 | Confident | 86 | Confident | 26 Ų | 26 | 78.3 Ų | 78.3 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 177.5 | -67 | 163.7 | 0 | 0 | 0 | 111.1 | I146 M150 K153 N310 M311 E317 W318 | I146-I314 HydrophobicContact CG2-CG2 4.14Å; M150-I314 HydrophobicContact CG-CG2 4.47Å; K153-I314 HydrophobicContact CD-CD1 4.32Å; K153-I314 HydrophobicContact CG-CD1 3.84Å; N310-I314 WeakPolarHBondContact O-CG1 3.44Å; N310-I314 PolarHBondContact O-N 2.78Å; M311-I314 PolarHBondContact O-N 3Å; I314-E317 PolarHBondContact O-N 3.17Å; I314-W318 WeakPolarHBondContact O-CB 3.24Å; I314-W318 PolarHBondContact O-N 3.44Å |
| 315 | L | 86 | Confident | 85 | Confident | 70 Ų | 70 | 79.8 Ų | 79.8 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 175.8 | -73.1 | 169.7 | 0 | 0 | 0 | 112.5 | M150 M311 E312 L313 E317 W318 E319 | M150-L315 HydrophobicContact CE-CD2 3.88Å; M150-L315 HydrophobicContact SD-CD2 3.85Å; M311-L315 WeakPolarHBondContact O-CG 3.38Å; M311-L315 PolarHBondContact O-N 3.31Å; E312-L315 PolarHBondContact O-N 3.08Å; L313-L315 VanDerWaalsContact C-N 3.33Å; L313-L315 PolarHBondContact O-N 3.17Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 3.45Å; L315-W318 PolarHBondContact O-N 3.07Å; L315-E319 WeakPolarHBondContact O-CB 3.44Å; L315-E319 PolarHBondContact O-N 3.15Å |
| 316 | N | 89.8 | Confident | 83.7 | Confident | 86 Ų | 86 | 83.3 Ų | 83.3 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.1 | -25.4 | 175.9 | -82.8 | -75.3 | 0 | 0 | 0 | 113.2 | E312 L313 K320 | E312-N316 WeakPolarHBondContact O-CB 3.43Å; E312-N316 PolarHBondContact O-N 3.1Å; E312-N316 PolarHBondContact O-ND2 2.8Å; L313-N316 PolarHBondContact O-N 3.24Å; L313-N316 VanDerWaalsContact O-N 3.15Å; N316-K320 VanDerWaalsContact O-CD 3.29Å; N316-K320 WeakPolarHBondContact O-CD 3.46Å; N316-K320 VanDerWaalsContact O-CE 3.32Å; N316-K320 WeakPolarHBondContact O-CE 3.46Å; N316-K320 VanDerWaalsContact O-CG 3.26Å; N316-K320 WeakPolarHBondContact O-CG 3.43Å |
| 317 | E | 85.7 | Confident | 82.5 | Confident | 121 Ų | 121 | 83 Ų | 83 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -79.7 | -44.4 | 173.4 | -72 | 178 | 167 | 0 | 0 | 111.1 | L313 I314 L315 E319 K320 D321 | L313-E317 WeakPolarHBondContact O-CG 3.37Å; L313-E317 PolarHBondContact O-N 3.44Å; I314-E317 PolarHBondContact O-N 3.17Å; L315-E317 VanDerWaalsContact C-N 3.3Å; L315-E317 PolarHBondContact O-N 3.45Å; E317-E319 VanDerWaalsContact C-N 3.35Å; E317-E319 PolarHBondContact O-N 3.01Å; E317-K320 WeakPolarHBondContact O-CB 3.42Å; E317-K320 PolarHBondContact O-N 2.84Å; E317-D321 PolarHBondContact O-N 3.24Å; E317-D321 VanDerWaalsContact O-N 3.1Å |
| 318 | W | 83.5 | Confident | 81 | Confident | 103 Ų | 103 | 83.7 Ų | 83.7 | 39% | 0.39 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.6 | -45.9 | 172.1 | 178.4 | 66.9 | 0 | 0 | 0 | 112.8 | I146 I314 L315 K320 D321 C322 | I146-W318 HydrophobicContact CD1-CB 4.04Å; I146-W318 HydrophobicContact CD1-CG 4.22Å; I146-W318 HydrophobicContact CG2-CB 4.1Å; I146-W318 HydrophobicContact CG2-CG 4.09Å; I314-W318 WeakPolarHBondContact O-CB 3.24Å; I314-W318 PolarHBondContact O-N 3.44Å; L315-W318 PolarHBondContact O-N 3.07Å; W318-K320 VanDerWaalsContact C-N 3.29Å; W318-K320 PolarHBondContact O-N 3.39Å; W318-D321 PolarHBondContact O-N 3.17Å; W318-C322 VanDerWaalsContact CE2-SG 3.56Å; W318-C322 PolarHBondContact O-N 3.47Å; W318-C322 PolarHBondContact O-SG 3.34Å |
| 319 | E | 86.1 | Confident | 79.4 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 41% | 0.411 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -33 | -178.5 | -156 | -145.4 | -173.9 | 0 | 0 | 112.3 | L315 E317 K323 | L315-E319 WeakPolarHBondContact O-CB 3.44Å; L315-E319 PolarHBondContact O-N 3.15Å; E317-E319 VanDerWaalsContact C-N 3.35Å; E317-E319 PolarHBondContact O-N 3.01Å; E319-K323 VanDerWaalsContact CD-CE 3.4Å; E319-K323 WeakPolarHBondContact O-CB 3.31Å; E319-K323 WeakPolarHBondContact O-CD 3.46Å; E319-K323 VanDerWaalsContact O-CG 3.23Å; E319-K323 WeakPolarHBondContact O-CG 3.36Å; E319-K323 PolarHBondContact O-N 3.12Å; E319-K323 WeakPolarHBondContact OE1-CE 3.34Å; E319-K323 IonicContact OE1-NZ 3.19Å; E319-K323 PolarHBondContact OE1-NZ 3.15Å; E319-K323 IonicContact OE2-NZ 2.87Å; E319-K323 PolarHBondContact OE2-NZ 2.84Å |
| 320 | K | 86.7 | Confident | 77.5 | Confident | 129 Ų | 129 | 85 Ų | 85 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.7 | -45.4 | 173.3 | -69.3 | 164.2 | -167.8 | 163.3 | 0 | 111.4 | N316 E317 W318 K323 F324 | N316-K320 VanDerWaalsContact O-CD 3.29Å; N316-K320 WeakPolarHBondContact O-CD 3.46Å; N316-K320 VanDerWaalsContact O-CE 3.32Å; N316-K320 WeakPolarHBondContact O-CE 3.46Å; N316-K320 VanDerWaalsContact O-CG 3.26Å; N316-K320 WeakPolarHBondContact O-CG 3.43Å; E317-K320 WeakPolarHBondContact O-CB 3.42Å; E317-K320 PolarHBondContact O-N 2.84Å; W318-K320 VanDerWaalsContact C-N 3.29Å; W318-K320 PolarHBondContact O-N 3.39Å; K320-K323 PolarHBondContact O-N 2.95Å; K320-F324 WeakPolarHBondContact O-CB 2.97Å; K320-F324 PolarHBondContact O-N 3.3Å |
| 321 | D | 77 | Confident | 75.6 | Confident | 62 Ų | 62 | 89.4 Ų | 89.4 | 33% | 0.332 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 178.8 | -102.3 | 24.9 | 0 | 0 | 0 | 111.8 | K142 E317 W318 F324 A325 | K142-D321 WeakPolarHBondContact CD-OD2 3.44Å; K142-D321 WeakPolarHBondContact CE-OD2 3.37Å; K142-D321 IonicContact NZ-OD1 2.79Å; K142-D321 IonicContact NZ-OD2 3.99Å; K142-D321 PolarHBondContact NZ-OD2 3.31Å; E317-D321 PolarHBondContact O-N 3.24Å; E317-D321 VanDerWaalsContact O-N 3.1Å; W318-D321 PolarHBondContact O-N 3.17Å; D321-F324 PolarHBondContact O-N 3.3Å; D321-A325 WeakPolarHBondContact O-CB 3.35Å; D321-A325 PolarHBondContact O-N 3.19Å |
| 322 | C | 75.9 | Confident | 73.7 | Confident | 23 Ų | 23 | 94.4 Ų | 94.4 | 16% | 0.155 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 171.6 | -73.2 | 0 | 0 | 0 | 0 | 112 | W318 F324 A325 H326 | W318-C322 VanDerWaalsContact CE2-SG 3.56Å; W318-C322 PolarHBondContact O-N 3.47Å; W318-C322 PolarHBondContact O-SG 3.34Å; C322-F324 VanDerWaalsContact C-N 3.33Å; C322-F324 PolarHBondContact O-N 2.93Å; C322-A325 PolarHBondContact O-N 3.23Å; C322-H326 PolarHBondContact O-CD2 2.89Å; C322-H326 PolarHBondContact O-N 3.42Å; C322-H326 VanDerWaalsContact O-N 3.08Å |
| 323 | K | 81.7 | Confident | 71.5 | Confident | 113 Ų | 113 | 99.6 Ų | 99.6 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 176.3 | -75.4 | 166.3 | -177.4 | 171.9 | 0 | 112 | E319 K320 H326 T327 | E319-K323 VanDerWaalsContact CD-CE 3.4Å; E319-K323 WeakPolarHBondContact O-CB 3.31Å; E319-K323 WeakPolarHBondContact O-CD 3.46Å; E319-K323 VanDerWaalsContact O-CG 3.23Å; E319-K323 WeakPolarHBondContact O-CG 3.36Å; E319-K323 PolarHBondContact O-N 3.12Å; E319-K323 WeakPolarHBondContact OE1-CE 3.34Å; E319-K323 IonicContact OE1-NZ 3.19Å; E319-K323 PolarHBondContact OE1-NZ 3.15Å; E319-K323 IonicContact OE2-NZ 2.87Å; E319-K323 PolarHBondContact OE2-NZ 2.84Å; K320-K323 PolarHBondContact O-N 2.95Å; K323-H326 PolarHBondContact O-N 3.37Å; K323-T327 PolarHBondContact O-N 3.23Å; K323-T327 PolarHBondContact O-OG1 2.8Å |
| 324 | F | 73.8 | Confident | 70.6 | Confident | 150 Ų | 150 | 99.4 Ų | 99.4 | 66% | 0.658 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 177.2 | -170.7 | -97.4 | 0 | 0 | 0 | 112.6 | K320 D321 C322 H326 T327 S328 | K320-F324 WeakPolarHBondContact O-CB 2.97Å; K320-F324 PolarHBondContact O-N 3.3Å; D321-F324 PolarHBondContact O-N 3.3Å; C322-F324 VanDerWaalsContact C-N 3.33Å; C322-F324 PolarHBondContact O-N 2.93Å; F324-H326 PolarHBondContact O-N 3.19Å; F324-T327 WeakPolarHBondContact CA-OG1 3.5Å; F324-T327 PolarHBondContact O-N 3.34Å; F324-T327 PolarHBondContact O-OG1 3.34Å; F324-S328 PolarHBondContact O-N 2.85Å; F324-S328 PolarHBondContact O-OG 3.14Å |
| 325 | A | 67.9 | Low | 69.8 | Low | 36 Ų | 36 | 103.2 Ų | 103.2 | 30% | 0.298 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -25.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D321 C322 S328 | D321-A325 WeakPolarHBondContact O-CB 3.35Å; D321-A325 PolarHBondContact O-N 3.19Å; C322-A325 PolarHBondContact O-N 3.23Å; A325-S328 PolarHBondContact O-OG 3.41Å |
| 326 | H | 61.9 | Low | 68.9 | Low | 137 Ų | 137 | 105.1 Ų | 105.1 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -77.5 | -38.8 | 171.2 | -74.7 | -58.7 | 0 | 0 | 0 | 112.9 | C322 K323 F324 K329 S330 | C322-H326 PolarHBondContact O-CD2 2.89Å; C322-H326 PolarHBondContact O-N 3.42Å; C322-H326 VanDerWaalsContact O-N 3.08Å; K323-H326 PolarHBondContact O-N 3.37Å; F324-H326 PolarHBondContact O-N 3.19Å; H326-K329 PolarHBondContact O-N 2.9Å; H326-S330 PolarHBondContact O-N 2.85Å |
| 327 | T | 63.6 | Low | 67.7 | Low | 77 Ų | 77 | 106.2 Ų | 106.2 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.4 | -36.9 | 178.9 | 46.7 | 0 | 0 | 0 | 0 | 113.1 | K323 F324 K329 S330 L331 | K323-T327 PolarHBondContact O-N 3.23Å; K323-T327 PolarHBondContact O-OG1 2.8Å; F324-T327 WeakPolarHBondContact CA-OG1 3.5Å; F324-T327 PolarHBondContact O-N 3.34Å; F324-T327 PolarHBondContact O-OG1 3.34Å; T327-K329 VanDerWaalsContact C-N 3.29Å; T327-K329 PolarHBondContact O-N 3.36Å; T327-S330 WeakPolarHBondContact O-CB 3.34Å; T327-S330 PolarHBondContact O-N 3.48Å; T327-L331 PolarHBondContact O-N 2.71Å |
| 328 | S | 58.1 | Low | 66.5 | Low | 40 Ų | 40 | 105.3 Ų | 105.3 | 28% | 0.28 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 174 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | F324 A325 S330 L331 | F324-S328 PolarHBondContact O-N 2.85Å; F324-S328 PolarHBondContact O-OG 3.14Å; A325-S328 PolarHBondContact O-OG 3.41Å; S328-S330 PolarHBondContact O-N 2.94Å; S328-L331 PolarHBondContact O-N 2.71Å; S328-L331 VanDerWaalsContact O-N 3.15Å |
| 329 | K | 56 | Low | 65.4 | Low | 146 Ų | 146 | 105.4 Ų | 105.4 | 64% | 0.635 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -23.4 | 173.9 | -167.4 | -179.3 | 178.1 | -170.7 | 0 | 113.5 | H326 T327 L331 | H326-K329 PolarHBondContact O-N 2.9Å; T327-K329 VanDerWaalsContact C-N 3.29Å; T327-K329 PolarHBondContact O-N 3.36Å; K329-L331 VanDerWaalsContact C-N 3.34Å |
| 330 | S | 51.3 | Low | 63.9 | Low | 89 Ų | 89 | 106.6 Ų | 106.6 | 62% | 0.622 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.2 | 176.1 | -167.3 | 0 | 0 | 0 | 0 | 113.9 | H326 T327 S328 | H326-S330 PolarHBondContact O-N 2.85Å; T327-S330 WeakPolarHBondContact O-CB 3.34Å; T327-S330 PolarHBondContact O-N 3.48Å; S328-S330 PolarHBondContact O-N 2.94Å |
| 331 | L | 48.5 | Very low | 62.2 | Low | 147 Ų | 147 | 104.9 Ų | 104.9 | 77% | 0.77 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 6.3 | -179.7 | -69.5 | 167.6 | 0 | 0 | 0 | 112.9 | T327 S328 K329 | T327-L331 PolarHBondContact O-N 2.71Å; S328-L331 PolarHBondContact O-N 2.71Å; S328-L331 VanDerWaalsContact O-N 3.15Å; K329-L331 VanDerWaalsContact C-N 3.34Å |
| 332 | M | 48.5 | Very low | 61 | Low | 141 Ų | 141 | 108.5 Ų | 108.5 | 70% | 0.695 | 57% | 0.566 | S | S | * | * | trans | -123 | 14.8 | 177.9 | -68.4 | -171.7 | 164.2 | 0 | 0 | 113 | ||||
| 333 | N | 44.4 | Very low | 59.6 | Low | 203 Ų | 203 | 116.3 Ų | 116.3 | 100% | 1.086 | 60% | 0.604 | S | S | * | * | trans | -116.8 | 0 | 167 | -73 | -10 | 0 | 0 | 0 | 108.7 |
Retrieved 333 of 333 residues in 151.5 ms
(Link to these results)