| 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 | 50.8 | Low | 59.3 | Low | 240 Ų | 240 | 152.5 Ų | 152.5 | 100% | 1.182 | 78% | 0.781 | S | S | * | * | 0 | 97.4 | 0 | -80.2 | -177.9 | -83.7 | 0 | 0 | 107.7 | |||||
| 2 | V | 48.5 | Very low | 59.6 | Low | 145 Ų | 145 | 149.6 Ų | 149.6 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 118.9 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 105.7 | ||
| 3 | R | 52.6 | Low | 60.1 | Low | 241 Ų | 241 | 144.1 Ų | 144.1 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -82 | 120.6 | 172.4 | -70.7 | -176.4 | 175.7 | -176.8 | -1.4 | 107.2 | L5 | R3-L5 PolarHBondContact O-N 3.48Š|
| 4 | E | 56.6 | Low | 60.5 | Low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 117 | 170.2 | -74.5 | 177.7 | 167.6 | 0 | 0 | 108.6 | I6 | E4-I6 PolarHBondContact O-N 3.05Š|
| 5 | L | 68.1 | Low | 61 | Low | 153 Ų | 153 | 141 Ų | 141 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -77.8 | 98.2 | 173.4 | -167.9 | 81.5 | 0 | 0 | 0 | 107.4 | R3 V7 | R3-L5 PolarHBondContact O-N 3.48Å; L5-V7 HydrophobicContact CD2-CG2 3.74Å; L5-V7 HydrophobicContact CG-CG2 4.08Å; L5-V7 PolarHBondContact O-N 3.03Å; L5-V7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | I | 64.1 | Low | 61.6 | Low | 151 Ų | 151 | 136.3 Ų | 136.3 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | trans | -74.1 | 97.3 | 171.4 | -58.1 | 172.6 | 0 | 0 | 0 | 106.6 | E4 P8 | E4-I6 PolarHBondContact O-N 3.05Å; I6-P8 WeakPolarHBondContact O-CD 3.5Å | ||
| 7 | V | 65.3 | Low | 62.4 | Low | 101 Ų | 101 | 136.2 Ų | 136.2 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | trans | -81.4 | 116.6 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | L5 T9 | L5-V7 HydrophobicContact CD2-CG2 3.74Å; L5-V7 HydrophobicContact CG-CG2 4.08Å; L5-V7 PolarHBondContact O-N 3.03Å; L5-V7 VanDerWaalsContact O-N 3.07Å; V7-T9 PolarHBondContact O-N 3.11Å | ||
| 8 | P | 61.6 | Low | 63.2 | Low | 84 Ų | 84 | 137.8 Ų | 137.8 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | trans | -54.9 | 129.8 | 175.4 | -24.3 | 34.9 | 0 | 0 | 0 | 110.5 | I6 E10 | I6-P8 WeakPolarHBondContact O-CD 3.5Å; P8-E10 VanDerWaalsContact C-N 3.28Å; P8-E10 WeakPolarHBondContact CB-O 3.4Å | ||
| 9 | T | 59.9 | Low | 64.3 | Low | 149 Ų | 149 | 133.5 Ų | 133.5 | 91% | 0.914 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -74.5 | -23.2 | -179.3 | -40 | 0 | 0 | 0 | 0 | 112.1 | V7 | V7-T9 PolarHBondContact O-N 3.11Š|
| 10 | E | 64.1 | Low | 65.4 | Low | 171 Ų | 171 | 129.4 Ų | 129.4 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -120.4 | 143 | 174.3 | -62.8 | -170.5 | 173.1 | 0 | 0 | 109.6 | P8 P12 | P8-E10 VanDerWaalsContact C-N 3.28Å; P8-E10 WeakPolarHBondContact CB-O 3.4Å; E10-P12 WeakPolarHBondContact O-CD 3.44Å |
| 11 | D | 60.4 | Low | 66.4 | Low | 65 Ų | 65 | 128.2 Ų | 128.2 | 35% | 0.348 | 70% | 0.703 | S | S | . | * | trans | -65.2 | 117.4 | -174.8 | 175 | 24.6 | 0 | 0 | 0 | 111.5 | S13 G14 E15 S16 | D11-S13 VanDerWaalsContact C-N 3.27Å; D11-S13 PolarHBondContact O-N 3.39Å; D11-S13 PolarHBondContact OD1-N 3.1Å; D11-S13 PolarHBondContact OD1-OG 3.48Å; D11-G14 PolarHBondContact O-N 2.96Å; D11-G14 WeakPolarHBondContact OD2-CA 3.41Å; D11-G14 PolarHBondContact OD2-N 3.48Å; D11-G14 VanDerWaalsContact OD2-N 3.11Å; D11-E15 PolarHBondContact OD2-N 3.13Å; D11-S16 VanDerWaalsContact CB-OG 3.32Å; D11-S16 WeakPolarHBondContact CB-OG 3.47Å; D11-S16 WeakPolarHBondContact OD2-CA 3.32Å; D11-S16 WeakPolarHBondContact OD2-CB 3.34Å; D11-S16 PolarHBondContact OD2-N 2.98Å; D11-S16 PolarHBondContact OD2-OG 3.23Å | ||
| 12 | P | 63 | Low | 68.2 | Low | 118 Ų | 118 | 124.4 Ų | 124.4 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -70.2 | -16.9 | -177 | 27.5 | -34.4 | 0 | 0 | 0 | 114.3 | E10 | E10-P12 WeakPolarHBondContact O-CD 3.44Š|
| 13 | S | 66.4 | Low | 70 | Confident | 78 Ų | 78 | 120.7 Ų | 120.7 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -98.7 | -17.6 | 177.1 | 76.7 | 0 | 0 | 0 | 0 | 114.2 | D11 E15 | D11-S13 VanDerWaalsContact C-N 3.27Å; D11-S13 PolarHBondContact O-N 3.39Å; D11-S13 PolarHBondContact OD1-N 3.1Å; D11-S13 PolarHBondContact OD1-OG 3.48Å; S13-E15 PolarHBondContact O-N 2.64Å; S13-E15 VanDerWaalsContact O-N 3.16Å; S13-E15 PolarHBondContact OG-N 3.13Å |
| 14 | G | 65.3 | Low | 71.6 | Confident | 69 Ų | 69 | 114.5 Ų | 114.5 | 71% | 0.711 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 65.5 | 6.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D11 | D11-G14 PolarHBondContact O-N 2.96Å; D11-G14 WeakPolarHBondContact OD2-CA 3.41Å; D11-G14 PolarHBondContact OD2-N 3.48Å; D11-G14 VanDerWaalsContact OD2-N 3.11Å |
| 15 | E | 68.3 | Low | 73.1 | Confident | 173 Ų | 173 | 109.3 Ų | 109.3 | 81% | 0.808 | 61% | 0.611 | S | S | * | * | trans | -113.8 | 5.8 | -176.2 | -67.7 | -175.7 | 173.1 | 0 | 0 | 112.4 | D11 S13 | D11-E15 PolarHBondContact OD2-N 3.13Å; S13-E15 PolarHBondContact O-N 2.64Å; S13-E15 VanDerWaalsContact O-N 3.16Å; S13-E15 PolarHBondContact OG-N 3.13Å | ||
| 16 | S | 71.1 | Confident | 74.2 | Confident | 65 Ų | 65 | 108.8 Ų | 108.8 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | trans | -73 | 130.6 | 176.4 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | D11 | D11-S16 VanDerWaalsContact CB-OG 3.32Å; D11-S16 WeakPolarHBondContact CB-OG 3.47Å; D11-S16 WeakPolarHBondContact OD2-CA 3.32Å; D11-S16 WeakPolarHBondContact OD2-CB 3.34Å; D11-S16 PolarHBondContact OD2-N 2.98Å; D11-S16 PolarHBondContact OD2-OG 3.23Å | ||
| 17 | L | 74.4 | Confident | 75.2 | Confident | 136 Ų | 136 | 105.5 Ų | 105.5 | 71% | 0.712 | 58% | 0.581 | S | S | * | * | trans | -97 | 106 | 175 | -178.9 | 66.1 | 0 | 0 | 0 | 109.1 | I19 | L17-I19 HydrophobicContact CD1-CG2 4.05Å; L17-I19 HydrophobicContact CD2-CD1 4.34Å; L17-I19 HydrophobicContact CD2-CG2 3.98Å; L17-I19 HydrophobicContact CG-CG2 3.72Å; L17-I19 PolarHBondContact O-N 3.02Å | ||
| 18 | I | 78.1 | Confident | 76.2 | Confident | 165 Ų | 165 | 105.5 Ų | 105.5 | 85% | 0.846 | 57% | 0.573 | S | S | * | * | trans | -84.2 | 105.2 | 173.6 | -56.7 | 172.8 | 0 | 0 | 0 | 108.2 | ||||
| 19 | I | 83 | Confident | 77.2 | Confident | 56 Ų | 56 | 110.1 Ų | 110.1 | 29% | 0.287 | 58% | 0.58 | S | S | . | * | trans | -123.8 | 153.5 | 177.7 | 48.4 | 170.5 | 0 | 0 | 0 | 110.8 | L17 E23 F24 I27 | L17-I19 HydrophobicContact CD1-CG2 4.05Å; L17-I19 HydrophobicContact CD2-CD1 4.34Å; L17-I19 HydrophobicContact CD2-CG2 3.98Å; L17-I19 HydrophobicContact CG-CG2 3.72Å; L17-I19 PolarHBondContact O-N 3.02Å; I19-E23 HydrophobicContact CB-CB 4.43Å; I19-E23 HydrophobicContact CB-CG 4.31Å; I19-E23 HydrophobicContact CG2-CG 4.28Å; I19-F24 HydrophobicContact CD1-CB 3.93Å; I19-F24 HydrophobicContact CD1-CD2 4.1Å; I19-F24 HydrophobicContact CG1-CB 4.49Å; I19-I27 HydrophobicContact CD1-CD1 4.28Å | ||
| 20 | S | 86.8 | Confident | 78.3 | Confident | 50 Ų | 50 | 107.1 Ų | 107.1 | 35% | 0.35 | 57% | 0.57 | S | S | . | * | trans | -69.2 | 153.9 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 111 | E22 E23 F24 | S20-E22 PolarHBondContact O-N 3.37Å; S20-E23 PolarHBondContact O-N 3.42Å; S20-E23 VanDerWaalsContact O-N 3.1Å; S20-E23 WeakPolarHBondContact OG-CB 3.46Å; S20-E23 PolarHBondContact OG-N 3.17Å; S20-F24 PolarHBondContact O-N 2.8Å | ||
| 21 | P | 86.7 | Confident | 79.1 | Confident | 105 Ų | 105 | 102.9 Ų | 102.9 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57 | -33.7 | 176.3 | -25.9 | 34.8 | 0 | 0 | 0 | 113.5 | F24 E25 | P21-F24 PolarHBondContact O-N 3.49Å; P21-E25 PolarHBondContact O-N 3.47Å |
| 22 | E | 89 | Confident | 80 | Confident | 160 Ų | 160 | 104.4 Ų | 104.4 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.6 | -42.5 | 177 | -64.2 | 161.5 | -175.7 | 0 | 0 | 111.6 | S20 R26 | S20-E22 PolarHBondContact O-N 3.37Å; E22-R26 WeakPolarHBondContact O-CB 3.38Å; E22-R26 PolarHBondContact O-N 3.08Å |
| 23 | E | 85.3 | Confident | 80.6 | Confident | 68 Ų | 68 | 104.7 Ų | 104.7 | 32% | 0.318 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.4 | -38.2 | 178 | -176.1 | 145 | -121 | 0 | 0 | 111.6 | I19 S20 R26 I27 | I19-E23 HydrophobicContact CB-CB 4.43Å; I19-E23 HydrophobicContact CB-CG 4.31Å; I19-E23 HydrophobicContact CG2-CG 4.28Å; S20-E23 PolarHBondContact O-N 3.42Å; S20-E23 VanDerWaalsContact O-N 3.1Å; S20-E23 WeakPolarHBondContact OG-CB 3.46Å; S20-E23 PolarHBondContact OG-N 3.17Å; E23-R26 PolarHBondContact O-N 2.8Å; E23-R26 IonicContact OE1-CZ 3.35Å; E23-R26 IonicContact OE1-NH1 2.74Å; E23-R26 PolarHBondContact OE1-NH1 3.02Å; E23-R26 IonicContact OE1-NH2 3.46Å; E23-R26 PolarHBondContact OE1-NH2 3.38Å; E23-I27 HydrophobicContact CG-CD1 4.21Å; E23-I27 VanDerWaalsContact O-CG1 3.27Å; E23-I27 WeakPolarHBondContact O-CG1 3.47Å; E23-I27 PolarHBondContact O-N 3.2Å |
| 24 | F | 86.3 | Confident | 81.1 | Confident | 110 Ų | 110 | 104.6 Ų | 104.6 | 48% | 0.482 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -50.2 | 172.6 | 177.1 | -103.6 | 0 | 0 | 0 | 112.1 | I19 S20 P21 R26 I27 K28 | I19-F24 HydrophobicContact CD1-CB 3.93Å; I19-F24 HydrophobicContact CD1-CD2 4.1Å; I19-F24 HydrophobicContact CG1-CB 4.49Å; S20-F24 PolarHBondContact O-N 2.8Å; P21-F24 PolarHBondContact O-N 3.49Å; F24-R26 VanDerWaalsContact C-N 3.34Å; F24-R26 PolarHBondContact O-N 3.37Å; F24-I27 PolarHBondContact O-N 2.9Å; F24-K28 HydrophobicContact CE1-CD 4.22Å; F24-K28 VanDerWaalsContact O-CB 3.31Å; F24-K28 WeakPolarHBondContact O-CB 3.36Å; F24-K28 PolarHBondContact O-N 3.3Å |
| 25 | E | 89.1 | Confident | 81.9 | Confident | 68 Ų | 68 | 104.9 Ų | 104.9 | 32% | 0.318 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.6 | -75.7 | -63.8 | 143.6 | 0 | 0 | 111 | P21 I27 K28 W29 | P21-E25 PolarHBondContact O-N 3.47Å; E25-I27 PolarHBondContact O-N 2.89Å; E25-K28 WeakPolarHBondContact O-CB 3.35Å; E25-K28 PolarHBondContact O-N 3.49Å; E25-K28 IonicContact OE1-NZ 2.94Å; E25-K28 PolarHBondContact OE1-NZ 3.14Å; E25-K28 IonicContact OE2-NZ 3.56Å; E25-W29 PolarHBondContact O-N 2.91Å; E25-W29 PolarHBondContact OE2-NE1 2.95Å |
| 26 | R | 89.3 | Confident | 82.5 | Confident | 143 Ų | 143 | 105.9 Ų | 105.9 | 54% | 0.54 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 174.6 | -172.4 | -174.7 | 73 | -131.3 | 4.3 | 112.3 | E22 E23 F24 A30 | E22-R26 WeakPolarHBondContact O-CB 3.38Å; E22-R26 PolarHBondContact O-N 3.08Å; E23-R26 PolarHBondContact O-N 2.8Å; E23-R26 IonicContact OE1-CZ 3.35Å; E23-R26 IonicContact OE1-NH1 2.74Å; E23-R26 PolarHBondContact OE1-NH1 3.02Å; E23-R26 IonicContact OE1-NH2 3.46Å; E23-R26 PolarHBondContact OE1-NH2 3.38Å; F24-R26 VanDerWaalsContact C-N 3.34Å; F24-R26 PolarHBondContact O-N 3.37Å; R26-A30 VanDerWaalsContact O-CB 3.26Å; R26-A30 WeakPolarHBondContact O-CB 3.34Å; R26-A30 PolarHBondContact O-N 3.28Å |
| 27 | I | 86.2 | Confident | 83.1 | Confident | 81 Ų | 81 | 110.3 Ų | 110.3 | 42% | 0.415 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65 | -43.5 | 178.1 | -68.3 | 166.2 | 0 | 0 | 0 | 110.4 | I19 E23 F24 E25 W29 A30 S31 | I19-I27 HydrophobicContact CD1-CD1 4.28Å; E23-I27 HydrophobicContact CG-CD1 4.21Å; E23-I27 VanDerWaalsContact O-CG1 3.27Å; E23-I27 WeakPolarHBondContact O-CG1 3.47Å; E23-I27 PolarHBondContact O-N 3.2Å; F24-I27 PolarHBondContact O-N 2.9Å; E25-I27 PolarHBondContact O-N 2.89Å; I27-W29 PolarHBondContact O-N 3.29Å; I27-A30 PolarHBondContact O-N 3.07Å; I27-S31 VanDerWaalsContact O-CB 3.28Å; I27-S31 WeakPolarHBondContact O-CB 3.3Å; I27-S31 PolarHBondContact O-N 3.44Å; I27-S31 PolarHBondContact O-OG 3.45Å |
| 28 | K | 85.8 | Confident | 83.6 | Confident | 102 Ų | 102 | 107.7 Ų | 107.7 | 44% | 0.443 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 177.4 | -175.8 | -176.9 | 172.6 | -167.6 | 0 | 111.7 | F24 E25 S31 H32 | F24-K28 HydrophobicContact CE1-CD 4.22Å; F24-K28 VanDerWaalsContact O-CB 3.31Å; F24-K28 WeakPolarHBondContact O-CB 3.36Å; F24-K28 PolarHBondContact O-N 3.3Å; E25-K28 WeakPolarHBondContact O-CB 3.35Å; E25-K28 PolarHBondContact O-N 3.49Å; E25-K28 IonicContact OE1-NZ 2.94Å; E25-K28 PolarHBondContact OE1-NZ 3.14Å; E25-K28 IonicContact OE2-NZ 3.56Å; K28-S31 PolarHBondContact O-N 3.32Å; K28-S31 PolarHBondContact O-OG 2.92Å; K28-H32 PolarHBondContact O-N 3.47Å |
| 29 | W | 83.6 | Confident | 83.8 | Confident | 180 Ų | 180 | 104 Ų | 104 | 68% | 0.682 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -38.9 | 175.1 | -71.5 | 112.6 | 0 | 0 | 0 | 113 | E25 I27 S31 H32 | E25-W29 PolarHBondContact O-N 2.91Å; E25-W29 PolarHBondContact OE2-NE1 2.95Å; I27-W29 PolarHBondContact O-N 3.29Å; W29-S31 VanDerWaalsContact C-N 3.33Å; W29-H32 PolarHBondContact O-N 2.87Å |
| 30 | A | 82.4 | Confident | 84 | Confident | 87 Ų | 87 | 105.2 Ų | 105.2 | 72% | 0.719 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.5 | -30.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | R26 I27 | R26-A30 VanDerWaalsContact O-CB 3.26Å; R26-A30 WeakPolarHBondContact O-CB 3.34Å; R26-A30 PolarHBondContact O-N 3.28Å; I27-A30 PolarHBondContact O-N 3.07Å |
| 31 | S | 80.2 | Confident | 84.1 | Confident | 81 Ų | 81 | 105.5 Ų | 105.5 | 57% | 0.566 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -80.6 | -15.4 | 177.3 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | I27 K28 W29 V33 | I27-S31 VanDerWaalsContact O-CB 3.28Å; I27-S31 WeakPolarHBondContact O-CB 3.3Å; I27-S31 PolarHBondContact O-N 3.44Å; I27-S31 PolarHBondContact O-OG 3.45Å; K28-S31 PolarHBondContact O-N 3.32Å; K28-S31 PolarHBondContact O-OG 2.92Å; W29-S31 VanDerWaalsContact C-N 3.33Å; S31-V33 PolarHBondContact O-N 2.93Å; S31-V33 VanDerWaalsContact O-N 3.09Å |
| 32 | H | 79.5 | Confident | 84.1 | Confident | 97 Ų | 97 | 108.7 Ų | 108.7 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | trans | -73.4 | 104.2 | -178.1 | -176.3 | 64 | 0 | 0 | 0 | 110.5 | K28 W29 L34 | K28-H32 PolarHBondContact O-N 3.47Å; W29-H32 PolarHBondContact O-N 2.87Å; H32-L34 PolarHBondContact O-N 3.2Å | ||
| 33 | V | 76.4 | Confident | 84.1 | Confident | 125 Ų | 125 | 104.9 Ų | 104.9 | 76% | 0.758 | 51% | 0.513 | S | S | * | . | trans | -81.3 | 112.2 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | S31 T35 | S31-V33 PolarHBondContact O-N 2.93Å; S31-V33 VanDerWaalsContact O-N 3.09Å; V33-T35 PolarHBondContact O-N 3.12Å | ||
| 34 | L | 75.7 | Confident | 84.4 | Confident | 75 Ų | 75 | 106.8 Ų | 106.8 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | trans | -57 | 134.4 | 176.8 | -68.6 | 168 | 0 | 0 | 0 | 110.2 | H32 E38 | H32-L34 PolarHBondContact O-N 3.2Å; L34-E38 HydrophobicContact CD2-CB 4.09Å | ||
| 35 | T | 82.1 | Confident | 84.7 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 46% | 0.46 | 52% | 0.521 | S | S | . | . | trans | -69.3 | 158.9 | 170.6 | 61.6 | 0 | 0 | 0 | 0 | 110 | V33 E37 E38 L39 | V33-T35 PolarHBondContact O-N 3.12Å; T35-E37 PolarHBondContact O-N 2.87Å; T35-E38 PolarHBondContact N-OE2 3.15Å; T35-E38 PolarHBondContact O-N 3.34Å; T35-E38 VanDerWaalsContact OG1-CG 3.27Å; T35-E38 WeakPolarHBondContact OG1-CG 3.31Å; T35-E38 PolarHBondContact OG1-OE2 3.32Å; T35-L39 PolarHBondContact O-N 2.97Å; T35-L39 VanDerWaalsContact O-N 3.09Å | ||
| 36 | R | 81.4 | Confident | 84.9 | Confident | 195 Ų | 195 | 107.3 Ų | 107.3 | 74% | 0.736 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -56 | -38.2 | 179.6 | -177.6 | 178.3 | 170.5 | 172.1 | 0.4 | 112.2 | L39 E40 | R36-L39 PolarHBondContact O-N 3.11Å; R36-E40 WeakPolarHBondContact CG-OE1 3.45Å; R36-E40 IonicContact CZ-OE1 3.8Å; R36-E40 IonicContact NE-OE1 2.96Å; R36-E40 PolarHBondContact NE-OE1 3.39Å; R36-E40 IonicContact NH2-OE1 3.74Å; R36-E40 WeakPolarHBondContact O-CB 3.39Å; R36-E40 VanDerWaalsContact O-CG 3.31Å; R36-E40 WeakPolarHBondContact O-CG 3.32Å; R36-E40 PolarHBondContact O-N 3.48Å |
| 37 | E | 83.9 | Confident | 85.1 | Confident | 157 Ų | 157 | 106.9 Ų | 106.9 | 73% | 0.734 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.9 | -40.1 | 179.8 | -64.3 | 178.8 | -178.3 | 0 | 0 | 112.3 | T35 E40 A41 | T35-E37 PolarHBondContact O-N 2.87Å; E37-E40 PolarHBondContact O-N 2.89Å; E37-A41 WeakPolarHBondContact O-CB 3.49Å; E37-A41 PolarHBondContact O-N 2.97Å |
| 38 | E | 84.3 | Confident | 85.6 | Confident | 82 Ų | 82 | 109.7 Ų | 109.7 | 38% | 0.383 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 176.8 | -70.2 | 164 | 151.1 | 0 | 0 | 112.1 | L34 T35 A41 R42 | L34-E38 HydrophobicContact CD2-CB 4.09Å; T35-E38 PolarHBondContact N-OE2 3.15Å; T35-E38 PolarHBondContact O-N 3.34Å; T35-E38 VanDerWaalsContact OG1-CG 3.27Å; T35-E38 WeakPolarHBondContact OG1-CG 3.31Å; T35-E38 PolarHBondContact OG1-OE2 3.32Å; E38-A41 PolarHBondContact O-N 3.03Å; E38-R42 WeakPolarHBondContact O-CB 3.39Å; E38-R42 PolarHBondContact O-N 3.26Å |
| 39 | L | 83.6 | Confident | 86 | Confident | 87 Ų | 87 | 111.1 Ų | 111.1 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -47 | 174.2 | -171.7 | 70.8 | 0 | 0 | 0 | 110.9 | T35 R36 A41 R42 D43 | T35-L39 PolarHBondContact O-N 2.97Å; T35-L39 VanDerWaalsContact O-N 3.09Å; R36-L39 PolarHBondContact O-N 3.11Å; L39-A41 VanDerWaalsContact C-N 3.35Å; L39-A41 PolarHBondContact O-N 3.37Å; L39-R42 PolarHBondContact O-N 2.99Å; L39-D43 PolarHBondContact O-N 2.9Å |
| 40 | E | 87.6 | Confident | 86.5 | Confident | 82 Ų | 82 | 107.8 Ų | 107.8 | 38% | 0.383 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 177 | -72.9 | 175.9 | -166.3 | 0 | 0 | 111.6 | R36 E37 D43 Q44 | R36-E40 WeakPolarHBondContact CG-OE1 3.45Å; R36-E40 IonicContact CZ-OE1 3.8Å; R36-E40 IonicContact NE-OE1 2.96Å; R36-E40 PolarHBondContact NE-OE1 3.39Å; R36-E40 IonicContact NH2-OE1 3.74Å; R36-E40 WeakPolarHBondContact O-CB 3.39Å; R36-E40 VanDerWaalsContact O-CG 3.31Å; R36-E40 WeakPolarHBondContact O-CG 3.32Å; R36-E40 PolarHBondContact O-N 3.48Å; E37-E40 PolarHBondContact O-N 2.89Å; E40-D43 PolarHBondContact O-N 3.49Å; E40-Q44 WeakPolarHBondContact O-CB 3.37Å; E40-Q44 VanDerWaalsContact O-CG 3.22Å; E40-Q44 WeakPolarHBondContact O-CG 3.27Å; E40-Q44 PolarHBondContact O-N 3.21Å |
| 41 | A | 88.4 | Confident | 87.2 | Confident | 55 Ų | 55 | 109.3 Ų | 109.3 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E37 E38 L39 Q44 A45 | E37-A41 WeakPolarHBondContact O-CB 3.49Å; E37-A41 PolarHBondContact O-N 2.97Å; E38-A41 PolarHBondContact O-N 3.03Å; L39-A41 VanDerWaalsContact C-N 3.35Å; L39-A41 PolarHBondContact O-N 3.37Å; A41-Q44 PolarHBondContact O-N 2.91Å; A41-A45 WeakPolarHBondContact O-CB 3.38Å; A41-A45 PolarHBondContact O-N 3.42Å |
| 42 | R | 85.8 | Confident | 87.9 | Confident | 173 Ų | 173 | 108.3 Ų | 108.3 | 65% | 0.653 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 176.2 | -171.6 | 177.6 | -176.3 | 164.3 | 0.5 | 111.8 | E38 L39 Q44 A45 F46 | E38-R42 WeakPolarHBondContact O-CB 3.39Å; E38-R42 PolarHBondContact O-N 3.26Å; L39-R42 PolarHBondContact O-N 2.99Å; R42-Q44 VanDerWaalsContact C-N 3.35Å; R42-A45 PolarHBondContact O-N 3.34Å; R42-F46 WeakPolarHBondContact O-CB 3.42Å; R42-F46 PolarHBondContact O-N 3.4Å |
| 43 | D | 89.1 | Confident | 88.7 | Confident | 80 Ų | 80 | 107.3 Ų | 107.3 | 43% | 0.428 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.5 | -77.9 | -10.8 | 0 | 0 | 0 | 111.9 | L39 E40 K47 | L39-D43 PolarHBondContact O-N 2.9Å; E40-D43 PolarHBondContact O-N 3.49Å; D43-K47 WeakPolarHBondContact O-CB 3.43Å; D43-K47 VanDerWaalsContact O-CG 3.24Å; D43-K47 WeakPolarHBondContact O-CG 3.45Å; D43-K47 PolarHBondContact O-N 3.31Å |
| 44 | Q | 92.7 | Very high | 89.6 | Confident | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 174.7 | -74.6 | 178.3 | 26.4 | 0 | 0 | 112 | E40 A41 R42 K47 K48 | E40-Q44 WeakPolarHBondContact O-CB 3.37Å; E40-Q44 VanDerWaalsContact O-CG 3.22Å; E40-Q44 WeakPolarHBondContact O-CG 3.27Å; E40-Q44 PolarHBondContact O-N 3.21Å; A41-Q44 PolarHBondContact O-N 2.91Å; R42-Q44 VanDerWaalsContact C-N 3.35Å; Q44-K47 PolarHBondContact O-N 3.07Å; Q44-K48 WeakPolarHBondContact O-CB 3.48Å; Q44-K48 WeakPolarHBondContact O-CG 3.46Å; Q44-K48 PolarHBondContact O-N 3.21Å |
| 45 | A | 92.1 | Very high | 90.6 | Very high | 57 Ų | 57 | 106.2 Ų | 106.2 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A41 R42 K47 K48 E49 | A41-A45 WeakPolarHBondContact O-CB 3.38Å; A41-A45 PolarHBondContact O-N 3.42Å; R42-A45 PolarHBondContact O-N 3.34Å; A45-K47 PolarHBondContact O-N 3Å; A45-K48 PolarHBondContact O-N 3Å; A45-E49 PolarHBondContact O-N 3.14Å |
| 46 | F | 92.6 | Very high | 91.3 | Very high | 131 Ų | 131 | 105.4 Ų | 105.4 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.1 | -41.9 | 176.7 | -177.9 | -102.9 | 0 | 0 | 0 | 112.5 | R42 E49 K50 | R42-F46 WeakPolarHBondContact O-CB 3.42Å; R42-F46 PolarHBondContact O-N 3.4Å; F46-E49 PolarHBondContact O-N 3.36Å; F46-K50 WeakPolarHBondContact O-CB 3.38Å; F46-K50 PolarHBondContact O-N 3.17Å |
| 47 | K | 94.8 | Very high | 92 | Very high | 135 Ų | 135 | 99.8 Ų | 99.8 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 175.3 | -76.4 | 172.8 | -173.5 | 175.6 | 0 | 111.9 | D43 Q44 A45 K50 E51 | D43-K47 WeakPolarHBondContact O-CB 3.43Å; D43-K47 VanDerWaalsContact O-CG 3.24Å; D43-K47 WeakPolarHBondContact O-CG 3.45Å; D43-K47 PolarHBondContact O-N 3.31Å; Q44-K47 PolarHBondContact O-N 3.07Å; A45-K47 PolarHBondContact O-N 3Å; K47-K50 PolarHBondContact O-N 3.06Å; K47-E51 WeakPolarHBondContact O-CB 3.28Å; K47-E51 PolarHBondContact O-N 2.82Å |
| 48 | K | 95.1 | Very high | 92.6 | Very high | 140 Ų | 140 | 97.4 Ų | 97.4 | 61% | 0.609 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 178.1 | -74.2 | 176.2 | -177.3 | 178.2 | 0 | 112 | Q44 A45 E51 A52 | Q44-K48 WeakPolarHBondContact O-CB 3.48Å; Q44-K48 WeakPolarHBondContact O-CG 3.46Å; Q44-K48 PolarHBondContact O-N 3.21Å; A45-K48 PolarHBondContact O-N 3Å; K48-E51 PolarHBondContact O-N 3Å; K48-A52 VanDerWaalsContact O-CB 3.31Å; K48-A52 WeakPolarHBondContact O-CB 3.35Å; K48-A52 PolarHBondContact O-N 3.39Å |
| 49 | E | 94.3 | Very high | 93.2 | Very high | 132 Ų | 132 | 97.3 Ų | 97.3 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 176.1 | -172.7 | -178.8 | 178.2 | 0 | 0 | 111.5 | A45 F46 E51 A52 T53 | A45-E49 PolarHBondContact O-N 3.14Å; F46-E49 PolarHBondContact O-N 3.36Å; E49-E51 PolarHBondContact O-N 2.98Å; E49-A52 PolarHBondContact O-N 2.93Å; E49-T53 WeakPolarHBondContact O-CB 3.47Å; E49-T53 WeakPolarHBondContact O-CG2 3.44Å; E49-T53 PolarHBondContact O-N 3.45Å; E49-T53 PolarHBondContact O-OG1 3.43Å |
| 50 | K | 95.5 | Very high | 93.8 | Very high | 110 Ų | 110 | 101.5 Ų | 101.5 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.2 | -174 | 179.3 | 177.4 | -179 | 0 | 112.1 | F46 K47 T53 M54 | F46-K50 WeakPolarHBondContact O-CB 3.38Å; F46-K50 PolarHBondContact O-N 3.17Å; K47-K50 PolarHBondContact O-N 3.06Å; K50-T53 WeakPolarHBondContact CA-OG1 3.39Å; K50-T53 PolarHBondContact O-OG1 3.43Å; K50-M54 HydrophobicContact CD-CE 4.24Å; K50-M54 HydrophobicContact CG-CE 3.95Å; K50-M54 HydrophobicContact CG-SD 4.29Å; K50-M54 WeakPolarHBondContact O-CB 3.3Å; K50-M54 WeakPolarHBondContact O-CG 3.24Å; K50-M54 PolarHBondContact O-N 2.97Å |
| 51 | E | 96 | Very high | 94.2 | Very high | 119 Ų | 119 | 104 Ų | 104 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.1 | -47 | 177.1 | -172.7 | 171.3 | -163.2 | 0 | 0 | 111.1 | K47 K48 E49 T53 M54 D55 | K47-E51 WeakPolarHBondContact O-CB 3.28Å; K47-E51 PolarHBondContact O-N 2.82Å; K48-E51 PolarHBondContact O-N 3Å; E49-E51 PolarHBondContact O-N 2.98Å; E51-T53 VanDerWaalsContact C-N 3.33Å; E51-T53 PolarHBondContact O-N 2.98Å; E51-M54 WeakPolarHBondContact O-CB 3.35Å; E51-M54 PolarHBondContact O-N 3.36Å; E51-M54 VanDerWaalsContact O-N 3.13Å; E51-D55 WeakPolarHBondContact O-CB 3.46Å; E51-D55 PolarHBondContact O-N 3.38Å |
| 52 | A | 95.6 | Very high | 94.6 | Very high | 59 Ų | 59 | 108 Ų | 108 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | K48 E49 D55 A56 | K48-A52 VanDerWaalsContact O-CB 3.31Å; K48-A52 WeakPolarHBondContact O-CB 3.35Å; K48-A52 PolarHBondContact O-N 3.39Å; E49-A52 PolarHBondContact O-N 2.93Å; A52-D55 PolarHBondContact O-N 3.4Å; A52-A56 WeakPolarHBondContact O-CB 3.43Å; A52-A56 PolarHBondContact O-N 2.99Å |
| 53 | T | 95.4 | Very high | 95.1 | Very high | 76 Ų | 76 | 103.7 Ų | 103.7 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | E49 K50 E51 A56 V57 | E49-T53 WeakPolarHBondContact O-CB 3.47Å; E49-T53 WeakPolarHBondContact O-CG2 3.44Å; E49-T53 PolarHBondContact O-N 3.45Å; E49-T53 PolarHBondContact O-OG1 3.43Å; K50-T53 WeakPolarHBondContact CA-OG1 3.39Å; K50-T53 PolarHBondContact O-OG1 3.43Å; E51-T53 VanDerWaalsContact C-N 3.33Å; E51-T53 PolarHBondContact O-N 2.98Å; T53-A56 PolarHBondContact O-N 3.29Å; T53-V57 WeakPolarHBondContact O-CG2 3.4Å; T53-V57 PolarHBondContact O-N 3.34Å |
| 54 | M | 95.9 | Very high | 95.4 | Very high | 99 Ų | 99 | 104.8 Ų | 104.8 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 174.3 | -76.7 | -178.4 | 174.4 | 0 | 0 | 112 | K50 E51 V57 M58 | K50-M54 HydrophobicContact CD-CE 4.24Å; K50-M54 HydrophobicContact CG-CE 3.95Å; K50-M54 HydrophobicContact CG-SD 4.29Å; K50-M54 WeakPolarHBondContact O-CB 3.3Å; K50-M54 WeakPolarHBondContact O-CG 3.24Å; K50-M54 PolarHBondContact O-N 2.97Å; E51-M54 WeakPolarHBondContact O-CB 3.35Å; E51-M54 PolarHBondContact O-N 3.36Å; E51-M54 VanDerWaalsContact O-N 3.13Å; M54-V57 PolarHBondContact O-N 2.97Å; M54-M58 WeakPolarHBondContact O-CB 3.4Å; M54-M58 WeakPolarHBondContact O-CG 3.48Å; M54-M58 PolarHBondContact O-N 3.22Å |
| 55 | D | 96.4 | Very high | 95.5 | Very high | 78 Ų | 78 | 106 Ų | 106 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 177.7 | -77.4 | -11.7 | 0 | 0 | 0 | 111.8 | E51 A52 V57 M58 T59 | E51-D55 WeakPolarHBondContact O-CB 3.46Å; E51-D55 PolarHBondContact O-N 3.38Å; A52-D55 PolarHBondContact O-N 3.4Å; D55-V57 VanDerWaalsContact C-N 3.31Å; D55-V57 PolarHBondContact O-N 3.03Å; D55-M58 PolarHBondContact O-N 2.89Å; D55-M58 WeakPolarHBondContact OD1-CE 3.14Å; D55-T59 WeakPolarHBondContact O-CB 3.37Å; D55-T59 VanDerWaalsContact O-CG2 3.28Å; D55-T59 WeakPolarHBondContact O-CG2 3.46Å; D55-T59 PolarHBondContact O-N 3.48Å; D55-T59 PolarHBondContact O-OG1 3.49Å |
| 56 | A | 96.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 108.2 Ų | 108.2 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | A52 T53 T59 R60 | A52-A56 WeakPolarHBondContact O-CB 3.43Å; A52-A56 PolarHBondContact O-N 2.99Å; T53-A56 PolarHBondContact O-N 3.29Å; A56-T59 WeakPolarHBondContact CA-OG1 3.41Å; A56-T59 PolarHBondContact O-OG1 3.28Å; A56-R60 WeakPolarHBondContact O-CB 3.43Å; A56-R60 PolarHBondContact O-N 3.23Å; A56-R60 VanDerWaalsContact O-N 3.13Å |
| 57 | V | 96.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 108.3 Ų | 108.3 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.3 | -42 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | T53 M54 D55 R60 K61 | T53-V57 WeakPolarHBondContact O-CG2 3.4Å; T53-V57 PolarHBondContact O-N 3.34Å; M54-V57 PolarHBondContact O-N 2.97Å; D55-V57 VanDerWaalsContact C-N 3.31Å; D55-V57 PolarHBondContact O-N 3.03Å; V57-R60 PolarHBondContact O-N 3.03Å; V57-K61 HydrophobicContact CG1-CD 4.19Å; V57-K61 HydrophobicContact CG1-CG 4.47Å; V57-K61 WeakPolarHBondContact O-CB 3.47Å; V57-K61 WeakPolarHBondContact O-CG 3.43Å; V57-K61 PolarHBondContact O-N 2.9Å |
| 58 | M | 96.3 | Very high | 95.4 | Very high | 107 Ų | 107 | 108 Ų | 108 | 53% | 0.527 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 179.2 | -77.6 | -164.9 | -72.1 | 0 | 0 | 111.9 | M54 D55 K61 K62 | M54-M58 WeakPolarHBondContact O-CB 3.4Å; M54-M58 WeakPolarHBondContact O-CG 3.48Å; M54-M58 PolarHBondContact O-N 3.22Å; D55-M58 PolarHBondContact O-N 2.89Å; D55-M58 WeakPolarHBondContact OD1-CE 3.14Å; M58-K61 PolarHBondContact O-N 2.91Å; M58-K62 WeakPolarHBondContact O-CB 3.44Å; M58-K62 PolarHBondContact O-N 3.39Å |
| 59 | T | 96.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 107.1 Ų | 107.1 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 175.5 | 51.4 | 0 | 0 | 0 | 0 | 111 | D55 A56 K61 K62 I63 | D55-T59 WeakPolarHBondContact O-CB 3.37Å; D55-T59 VanDerWaalsContact O-CG2 3.28Å; D55-T59 WeakPolarHBondContact O-CG2 3.46Å; D55-T59 PolarHBondContact O-N 3.48Å; D55-T59 PolarHBondContact O-OG1 3.49Å; A56-T59 WeakPolarHBondContact CA-OG1 3.41Å; A56-T59 PolarHBondContact O-OG1 3.28Å; T59-K61 PolarHBondContact O-N 3.47Å; T59-K62 PolarHBondContact O-N 3.49Å; T59-I63 VanDerWaalsContact O-CG1 3.32Å; T59-I63 WeakPolarHBondContact O-CG1 3.38Å; T59-I63 PolarHBondContact O-N 3.21Å |
| 60 | R | 96.1 | Very high | 94.8 | Very high | 176 Ų | 176 | 104.8 Ų | 104.8 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.5 | -44.7 | 174.9 | -173.4 | 177.1 | 178.3 | 176.4 | -0.3 | 112.3 | A56 V57 K62 I63 M64 | A56-R60 WeakPolarHBondContact O-CB 3.43Å; A56-R60 PolarHBondContact O-N 3.23Å; A56-R60 VanDerWaalsContact O-N 3.13Å; V57-R60 PolarHBondContact O-N 3.03Å; R60-K62 VanDerWaalsContact C-N 3.35Å; R60-K62 PolarHBondContact O-N 2.87Å; R60-I63 PolarHBondContact O-N 2.87Å; R60-M64 WeakPolarHBondContact O-CG 3.42Å; R60-M64 PolarHBondContact O-N 3.06Å |
| 61 | K | 97 | Very high | 94.3 | Very high | 135 Ų | 135 | 107.4 Ų | 107.4 | 59% | 0.587 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 175.7 | -78.5 | -180 | 177.7 | 179.9 | 0 | 111.7 | V57 M58 T59 M64 K65 | V57-K61 HydrophobicContact CG1-CD 4.19Å; V57-K61 HydrophobicContact CG1-CG 4.47Å; V57-K61 WeakPolarHBondContact O-CB 3.47Å; V57-K61 WeakPolarHBondContact O-CG 3.43Å; V57-K61 PolarHBondContact O-N 2.9Å; M58-K61 PolarHBondContact O-N 2.91Å; T59-K61 PolarHBondContact O-N 3.47Å; K61-M64 PolarHBondContact O-N 2.89Å; K61-K65 WeakPolarHBondContact O-CG 3.49Å; K61-K65 PolarHBondContact O-N 2.93Å |
| 62 | K | 96.5 | Very high | 93.7 | Very high | 138 Ų | 138 | 106.5 Ų | 106.5 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | 178.4 | -170.9 | 179.2 | -178 | 179.7 | 0 | 111.4 | M58 T59 R60 M64 K65 Q66 | M58-K62 WeakPolarHBondContact O-CB 3.44Å; M58-K62 PolarHBondContact O-N 3.39Å; T59-K62 PolarHBondContact O-N 3.49Å; R60-K62 VanDerWaalsContact C-N 3.35Å; R60-K62 PolarHBondContact O-N 2.87Å; K62-M64 VanDerWaalsContact C-N 3.34Å; K62-M64 PolarHBondContact O-N 3.1Å; K62-K65 PolarHBondContact O-N 3.42Å; K62-Q66 WeakPolarHBondContact O-CG 3.41Å; K62-Q66 PolarHBondContact O-N 3.22Å |
| 63 | I | 96.2 | Very high | 93.1 | Very high | 82 Ų | 82 | 109.8 Ų | 109.8 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.9 | -66.7 | 165.7 | 0 | 0 | 0 | 110.6 | T59 R60 Q66 K67 | T59-I63 VanDerWaalsContact O-CG1 3.32Å; T59-I63 WeakPolarHBondContact O-CG1 3.38Å; T59-I63 PolarHBondContact O-N 3.21Å; R60-I63 PolarHBondContact O-N 2.87Å; I63-Q66 PolarHBondContact O-N 3.38Å; I63-K67 HydrophobicContact CG2-CD 4.09Å; I63-K67 HydrophobicContact CG2-CG 4.46Å; I63-K67 WeakPolarHBondContact O-CB 3.42Å; I63-K67 WeakPolarHBondContact O-CG 3.43Å; I63-K67 PolarHBondContact O-N 2.95Å |
| 64 | M | 94.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 111.9 Ų | 111.9 | 51% | 0.507 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 178.5 | -72.7 | -58.9 | -171 | 0 | 0 | 112.1 | R60 K61 K62 Q66 K67 E68 | R60-M64 WeakPolarHBondContact O-CG 3.42Å; R60-M64 PolarHBondContact O-N 3.06Å; K61-M64 PolarHBondContact O-N 2.89Å; K62-M64 VanDerWaalsContact C-N 3.34Å; K62-M64 PolarHBondContact O-N 3.1Å; M64-Q66 VanDerWaalsContact C-N 3.34Å; M64-Q66 PolarHBondContact O-N 2.9Å; M64-K67 PolarHBondContact O-N 2.74Å; M64-E68 WeakPolarHBondContact O-CB 3.33Å; M64-E68 PolarHBondContact O-N 3Å |
| 65 | K | 94.9 | Very high | 91.7 | Very high | 133 Ų | 133 | 113.3 Ų | 113.3 | 58% | 0.578 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.9 | -43 | 174.9 | -74.2 | -177.9 | 176.9 | -171.6 | 0 | 112.3 | K61 K62 E68 M69 | K61-K65 WeakPolarHBondContact O-CG 3.49Å; K61-K65 PolarHBondContact O-N 2.93Å; K62-K65 PolarHBondContact O-N 3.42Å; K65-E68 PolarHBondContact O-N 3.23Å; K65-M69 WeakPolarHBondContact O-CG 3.46Å; K65-M69 PolarHBondContact O-N 3.25Å |
| 66 | Q | 93.4 | Very high | 91 | Very high | 105 Ų | 105 | 118.7 Ų | 118.7 | 49% | 0.491 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.9 | -43.7 | 176.5 | -74.8 | 176.6 | -21.5 | 0 | 0 | 111.5 | K62 I63 M64 E68 M69 V70 | K62-Q66 WeakPolarHBondContact O-CG 3.41Å; K62-Q66 PolarHBondContact O-N 3.22Å; I63-Q66 PolarHBondContact O-N 3.38Å; M64-Q66 VanDerWaalsContact C-N 3.34Å; M64-Q66 PolarHBondContact O-N 2.9Å; Q66-E68 VanDerWaalsContact C-N 3.34Å; Q66-E68 PolarHBondContact O-N 2.9Å; Q66-M69 PolarHBondContact O-N 3.37Å; Q66-V70 WeakPolarHBondContact O-CG2 3.37Å; Q66-V70 PolarHBondContact O-N 3.16Å |
| 67 | K | 92.4 | Very high | 90.2 | Very high | 133 Ų | 133 | 119.7 Ų | 119.7 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.8 | -40.3 | 176.1 | -75 | 179.2 | 175.9 | -175.1 | 0 | 112.2 | I63 M64 V70 W71 | I63-K67 HydrophobicContact CG2-CD 4.09Å; I63-K67 HydrophobicContact CG2-CG 4.46Å; I63-K67 WeakPolarHBondContact O-CB 3.42Å; I63-K67 WeakPolarHBondContact O-CG 3.43Å; I63-K67 PolarHBondContact O-N 2.95Å; M64-K67 PolarHBondContact O-N 2.74Å; K67-V70 PolarHBondContact O-N 3.29Å; K67-W71 WeakPolarHBondContact O-CB 3.43Å; K67-W71 PolarHBondContact O-N 3.03Å |
| 68 | E | 92.1 | Very high | 89.8 | Confident | 127 Ų | 127 | 118.9 Ų | 118.9 | 59% | 0.593 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.7 | -43.7 | 176.6 | -175.3 | 175.9 | -164.9 | 0 | 0 | 111.9 | M64 K65 Q66 V70 W71 N72 | M64-E68 WeakPolarHBondContact O-CB 3.33Å; M64-E68 PolarHBondContact O-N 3Å; K65-E68 PolarHBondContact O-N 3.23Å; Q66-E68 VanDerWaalsContact C-N 3.34Å; Q66-E68 PolarHBondContact O-N 2.9Å; E68-V70 PolarHBondContact O-N 3.32Å; E68-W71 PolarHBondContact O-N 3.36Å; E68-N72 WeakPolarHBondContact O-CB 3.32Å; E68-N72 PolarHBondContact O-N 2.98Å |
| 69 | M | 89.1 | Confident | 89.4 | Confident | 123 Ų | 123 | 120 Ų | 120 | 61% | 0.606 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.3 | -46.5 | 174 | -72.1 | 178.3 | -166.8 | 0 | 0 | 111.6 | K65 Q66 N72 N73 | K65-M69 WeakPolarHBondContact O-CG 3.46Å; K65-M69 PolarHBondContact O-N 3.25Å; Q66-M69 PolarHBondContact O-N 3.37Å; M69-N72 PolarHBondContact O-N 2.98Å; M69-N73 WeakPolarHBondContact O-CB 3.47Å; M69-N73 PolarHBondContact O-N 2.88Å; M69-N73 PolarHBondContact O-ND2 3.42Å |
| 70 | V | 88.1 | Confident | 89.2 | Confident | 83 Ų | 83 | 123 Ų | 123 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.3 | -42.9 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | Q66 K67 E68 N73 N74 | Q66-V70 WeakPolarHBondContact O-CG2 3.37Å; Q66-V70 PolarHBondContact O-N 3.16Å; K67-V70 PolarHBondContact O-N 3.29Å; E68-V70 PolarHBondContact O-N 3.32Å; V70-N73 PolarHBondContact O-N 3.46Å; V70-N74 WeakPolarHBondContact CG1-ND2 3.17Å; V70-N74 VanDerWaalsContact O-CB 3.25Å; V70-N74 WeakPolarHBondContact O-CB 3.39Å; V70-N74 VanDerWaalsContact O-CG 3.26Å; V70-N74 PolarHBondContact O-N 2.88Å; V70-N74 PolarHBondContact O-ND2 2.87Å |
| 71 | W | 85.1 | Confident | 88.9 | Confident | 165 Ų | 165 | 119.6 Ų | 119.6 | 63% | 0.625 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.8 | -44.1 | 177.3 | 178 | 70.3 | 0 | 0 | 0 | 112.1 | K67 E68 N74 K75 | K67-W71 WeakPolarHBondContact O-CB 3.43Å; K67-W71 PolarHBondContact O-N 3.03Å; E68-W71 PolarHBondContact O-N 3.36Å; W71-N74 CarbonylContact O-C 3.49Å; W71-N74 PolarHBondContact O-N 2.9Å; W71-K75 WeakPolarHBondContact O-CB 3.42Å; W71-K75 PolarHBondContact O-N 3.35Å |
| 72 | N | 83.6 | Confident | 88.7 | Confident | 99 Ų | 99 | 118.7 Ų | 118.7 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.8 | -39.4 | 178.8 | -166.9 | 59.4 | 0 | 0 | 0 | 112.1 | E68 M69 K75 | E68-N72 WeakPolarHBondContact O-CB 3.32Å; E68-N72 PolarHBondContact O-N 2.98Å; M69-N72 PolarHBondContact O-N 2.98Å; N72-K75 WeakPolarHBondContact O-CB 3.22Å; N72-K75 PolarHBondContact O-N 2.91Å |
| 73 | N | 81.2 | Confident | 88.5 | Confident | 128 Ų | 128 | 115 Ų | 115 | 68% | 0.684 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.1 | -34.5 | 176 | -68.3 | -11.3 | 0 | 0 | 0 | 112.6 | M69 V70 K75 | M69-N73 WeakPolarHBondContact O-CB 3.47Å; M69-N73 PolarHBondContact O-N 2.88Å; M69-N73 PolarHBondContact O-ND2 3.42Å; V70-N73 PolarHBondContact O-N 3.46Å; N73-K75 VanDerWaalsContact C-N 3.32Å |
| 74 | N | 80.1 | Confident | 88.4 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 64% | 0.642 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 2.9 | 179.2 | -67.3 | -21 | 0 | 0 | 0 | 112.9 | V70 W71 K76 | V70-N74 WeakPolarHBondContact CG1-ND2 3.17Å; V70-N74 VanDerWaalsContact O-CB 3.25Å; V70-N74 WeakPolarHBondContact O-CB 3.39Å; V70-N74 VanDerWaalsContact O-CG 3.26Å; V70-N74 PolarHBondContact O-N 2.88Å; V70-N74 PolarHBondContact O-ND2 2.87Å; W71-N74 CarbonylContact O-C 3.49Å; W71-N74 PolarHBondContact O-N 2.9Å; N74-K76 PolarHBondContact O-N 2.92Å; N74-K76 VanDerWaalsContact O-N 3.16Å |
| 75 | K | 83.4 | Confident | 88.4 | Confident | 130 Ų | 130 | 114 Ų | 114 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 120.7 | 177.6 | -172.6 | 175.3 | 176 | -174.6 | 0 | 107.3 | W71 N72 N73 L77 | W71-K75 WeakPolarHBondContact O-CB 3.42Å; W71-K75 PolarHBondContact O-N 3.35Å; N72-K75 WeakPolarHBondContact O-CB 3.22Å; N72-K75 PolarHBondContact O-N 2.91Å; N73-K75 VanDerWaalsContact C-N 3.32Å; K75-L77 PolarHBondContact O-N 2.91Å |
| 76 | K | 81.6 | Confident | 88.5 | Confident | 191 Ų | 191 | 112.9 Ų | 112.9 | 83% | 0.83 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.4 | 174.7 | -67.6 | -175.5 | 177.4 | -175.4 | 0 | 108.4 | N74 S78 | N74-K76 PolarHBondContact O-N 2.92Å; N74-K76 VanDerWaalsContact O-N 3.16Å; K76-S78 PolarHBondContact O-N 3.18Å |
| 77 | L | 79.9 | Confident | 88.6 | Confident | 78 Ų | 78 | 116.6 Ų | 116.6 | 41% | 0.408 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 138.7 | 169.3 | -73.9 | 145.6 | 0 | 0 | 0 | 108 | K75 E81 E82 K85 | K75-L77 PolarHBondContact O-N 2.91Å; L77-E81 WeakPolarHBondContact CA-OE2 3.5Å; L77-E81 HydrophobicContact CB-CB 4.09Å; L77-E81 HydrophobicContact CD2-CB 3.52Å; L77-E81 HydrophobicContact CD2-CG 4.48Å; L77-E81 HydrophobicContact CG-CB 4.43Å; L77-E82 HydrophobicContact CB-CB 4.36Å; L77-K85 HydrophobicContact CD1-CD 4.05Å |
| 78 | S | 86.8 | Confident | 88.8 | Confident | 60 Ų | 60 | 112.6 Ų | 112.6 | 42% | 0.42 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 151.9 | 166.4 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | K76 L80 E81 E82 | K76-S78 PolarHBondContact O-N 3.18Å; S78-L80 PolarHBondContact O-N 3.16Å; S78-E81 PolarHBondContact N-OE2 3.4Å; S78-E81 WeakPolarHBondContact O-CA 3.33Å; S78-E81 WeakPolarHBondContact O-CB 3.34Å; S78-E81 PolarHBondContact O-N 3.41Å; S78-E82 PolarHBondContact O-N 3.32Å |
| 79 | D | 88.8 | Confident | 89 | Confident | 130 Ų | 130 | 111.3 Ų | 111.3 | 70% | 0.695 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -48.4 | -37.4 | 176 | -54.4 | -8.4 | 0 | 0 | 0 | 112.2 | V83 | D79-V83 VanDerWaalsContact O-CG2 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.42Å; D79-V83 PolarHBondContact O-N 3.4Å |
| 80 | L | 91.3 | Very high | 89.4 | Confident | 145 Ų | 145 | 109.3 Ų | 109.3 | 76% | 0.759 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 174.9 | -77.2 | 159.6 | 0 | 0 | 0 | 113 | S78 A84 | S78-L80 PolarHBondContact O-N 3.16Å; L80-A84 WeakPolarHBondContact O-CB 3.45Å; L80-A84 PolarHBondContact O-N 2.96Å |
| 81 | E | 91.2 | Very high | 89.9 | Confident | 104 Ų | 104 | 111 Ų | 111 | 49% | 0.486 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.2 | -35 | 179.5 | -61.3 | 174.5 | 141.7 | 0 | 0 | 111.2 | L77 S78 A84 K85 | L77-E81 WeakPolarHBondContact CA-OE2 3.5Å; L77-E81 HydrophobicContact CB-CB 4.09Å; L77-E81 HydrophobicContact CD2-CB 3.52Å; L77-E81 HydrophobicContact CD2-CG 4.48Å; L77-E81 HydrophobicContact CG-CB 4.43Å; S78-E81 PolarHBondContact N-OE2 3.4Å; S78-E81 WeakPolarHBondContact O-CA 3.33Å; S78-E81 WeakPolarHBondContact O-CB 3.34Å; S78-E81 PolarHBondContact O-N 3.41Å; E81-A84 PolarHBondContact O-N 3.38Å; E81-K85 WeakPolarHBondContact O-CB 3.49Å; E81-K85 PolarHBondContact O-N 3.47Å |
| 82 | E | 91.6 | Very high | 90.5 | Very high | 115 Ų | 115 | 108.4 Ų | 108.4 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -46.9 | 175 | -169.5 | 164.5 | -148.3 | 0 | 0 | 111.1 | L77 S78 A84 K85 E86 | L77-E82 HydrophobicContact CB-CB 4.36Å; S78-E82 PolarHBondContact O-N 3.32Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 2.85Å; E82-K85 WeakPolarHBondContact O-CB 3.35Å; E82-K85 PolarHBondContact O-N 2.88Å; E82-E86 PolarHBondContact O-N 3.32Å |
| 83 | V | 93.9 | Very high | 91.1 | Very high | 62 Ų | 62 | 109.6 Ų | 109.6 | 38% | 0.376 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.7 | -41 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | D79 E86 R87 | D79-V83 VanDerWaalsContact O-CG2 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.42Å; D79-V83 PolarHBondContact O-N 3.4Å; V83-E86 PolarHBondContact O-N 2.93Å; V83-R87 WeakPolarHBondContact O-CB 3.25Å; V83-R87 VanDerWaalsContact O-CG 3.28Å; V83-R87 WeakPolarHBondContact O-CG 3.39Å; V83-R87 PolarHBondContact O-N 3.35Å |
| 84 | A | 94.1 | Very high | 91.9 | Very high | 56 Ų | 56 | 112 Ų | 112 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.8 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L80 E81 E82 R87 A88 | L80-A84 WeakPolarHBondContact O-CB 3.45Å; L80-A84 PolarHBondContact O-N 2.96Å; E81-A84 PolarHBondContact O-N 3.38Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 2.85Å; A84-R87 PolarHBondContact O-N 3.28Å; A84-A88 WeakPolarHBondContact O-CB 3.36Å; A84-A88 PolarHBondContact O-N 2.84Å |
| 85 | K | 94.4 | Very high | 92.7 | Very high | 106 Ų | 106 | 108.8 Ų | 108.8 | 46% | 0.461 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 175.9 | -179.1 | -177.2 | 176 | -173.6 | 0 | 111.3 | L77 E81 E82 R87 A88 Q89 | L77-K85 HydrophobicContact CD1-CD 4.05Å; E81-K85 WeakPolarHBondContact O-CB 3.49Å; E81-K85 PolarHBondContact O-N 3.47Å; E82-K85 WeakPolarHBondContact O-CB 3.35Å; E82-K85 PolarHBondContact O-N 2.88Å; K85-R87 PolarHBondContact O-N 3.43Å; K85-A88 PolarHBondContact O-N 3.03Å; K85-Q89 WeakPolarHBondContact O-CB 3.33Å; K85-Q89 WeakPolarHBondContact O-CG 3.37Å; K85-Q89 PolarHBondContact O-N 3.36Å |
| 86 | E | 96.1 | Very high | 93.4 | Very high | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 178.3 | -172.6 | -172.1 | 177.2 | 0 | 0 | 111.2 | E82 V83 A88 Q89 N90 | E82-E86 PolarHBondContact O-N 3.32Å; V83-E86 PolarHBondContact O-N 2.93Å; E86-A88 VanDerWaalsContact C-N 3.34Å; E86-A88 PolarHBondContact O-N 3.4Å; E86-Q89 PolarHBondContact O-N 3.49Å; E86-N90 WeakPolarHBondContact O-CB 3.4Å; E86-N90 PolarHBondContact O-N 2.87Å; E86-N90 PolarHBondContact O-ND2 2.99Å |
| 87 | R | 96 | Very high | 94 | Very high | 183 Ų | 183 | 103.4 Ų | 103.4 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -44.6 | 176.2 | -73.8 | 175.7 | -175.9 | -167.8 | 3 | 112.1 | V83 A84 K85 N90 L91 | V83-R87 WeakPolarHBondContact O-CB 3.25Å; V83-R87 VanDerWaalsContact O-CG 3.28Å; V83-R87 WeakPolarHBondContact O-CG 3.39Å; V83-R87 PolarHBondContact O-N 3.35Å; A84-R87 PolarHBondContact O-N 3.28Å; K85-R87 PolarHBondContact O-N 3.43Å; R87-N90 PolarHBondContact O-N 3.4Å; R87-L91 WeakPolarHBondContact O-CB 3.32Å; R87-L91 PolarHBondContact O-N 3.35Å |
| 88 | A | 96.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 103.8 Ų | 103.8 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A84 K85 E86 L91 L92 | A84-A88 WeakPolarHBondContact O-CB 3.36Å; A84-A88 PolarHBondContact O-N 2.84Å; K85-A88 PolarHBondContact O-N 3.03Å; E86-A88 VanDerWaalsContact C-N 3.34Å; E86-A88 PolarHBondContact O-N 3.4Å; A88-L91 PolarHBondContact O-N 3.23Å; A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 3.33Å |
| 89 | Q | 96.6 | Very high | 95.2 | Very high | 99 Ų | 99 | 108.5 Ų | 108.5 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.7 | -74.5 | -179.9 | -22.1 | 0 | 0 | 112 | K85 E86 L91 L92 Q93 | K85-Q89 WeakPolarHBondContact O-CB 3.33Å; K85-Q89 WeakPolarHBondContact O-CG 3.37Å; K85-Q89 PolarHBondContact O-N 3.36Å; E86-Q89 PolarHBondContact O-N 3.49Å; Q89-L91 VanDerWaalsContact C-N 3.29Å; Q89-L91 PolarHBondContact O-N 3.43Å; Q89-L92 PolarHBondContact O-N 2.98Å; Q89-Q93 WeakPolarHBondContact O-CB 3.4Å; Q89-Q93 WeakPolarHBondContact O-CG 3.37Å; Q89-Q93 PolarHBondContact O-N 3.43Å |
| 90 | N | 97.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 106.8 Ų | 106.8 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 175.9 | -82.3 | -43.2 | 0 | 0 | 0 | 111.8 | E86 R87 Q93 R94 | E86-N90 WeakPolarHBondContact O-CB 3.4Å; E86-N90 PolarHBondContact O-N 2.87Å; E86-N90 PolarHBondContact O-ND2 2.99Å; R87-N90 PolarHBondContact O-N 3.4Å; N90-Q93 PolarHBondContact O-N 2.96Å; N90-R94 VanDerWaalsContact O-CB 3.3Å; N90-R94 WeakPolarHBondContact O-CB 3.32Å; N90-R94 PolarHBondContact O-N 3.42Å |
| 91 | L | 97.8 | Very high | 95.4 | Very high | 118 Ų | 118 | 104.4 Ų | 104.4 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 176.6 | -176.7 | 63.6 | 0 | 0 | 0 | 111.7 | R87 A88 Q89 R94 A95 | R87-L91 WeakPolarHBondContact O-CB 3.32Å; R87-L91 PolarHBondContact O-N 3.35Å; A88-L91 PolarHBondContact O-N 3.23Å; Q89-L91 VanDerWaalsContact C-N 3.29Å; Q89-L91 PolarHBondContact O-N 3.43Å; L91-R94 PolarHBondContact O-N 2.96Å; L91-A95 WeakPolarHBondContact O-CB 3.44Å; L91-A95 PolarHBondContact O-N 3.49Å |
| 92 | L | 97.5 | Very high | 95.5 | Very high | 111 Ų | 111 | 105.9 Ų | 105.9 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 177.2 | -73.9 | 171.3 | 0 | 0 | 0 | 112 | A88 Q89 R94 A95 N96 | A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 3.33Å; Q89-L92 PolarHBondContact O-N 2.98Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 2.9Å; L92-A95 PolarHBondContact O-N 3.36Å; L92-N96 WeakPolarHBondContact O-CB 3.38Å; L92-N96 PolarHBondContact O-N 3.47Å; L92-N96 PolarHBondContact O-ND2 2.88Å |
| 93 | Q | 97.4 | Very high | 95.6 | Very high | 125 Ų | 125 | 104.8 Ų | 104.8 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 175.9 | -74.9 | 179.9 | -15.5 | 0 | 0 | 111.3 | Q89 N90 N96 K97 | Q89-Q93 WeakPolarHBondContact O-CB 3.4Å; Q89-Q93 WeakPolarHBondContact O-CG 3.37Å; Q89-Q93 PolarHBondContact O-N 3.43Å; N90-Q93 PolarHBondContact O-N 2.96Å; Q93-N96 PolarHBondContact O-N 3.41Å; Q93-K97 WeakPolarHBondContact O-CB 3.42Å; Q93-K97 PolarHBondContact O-N 2.92Å |
| 94 | R | 97.9 | Very high | 95.5 | Very high | 177 Ų | 177 | 109 Ų | 109 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 176.4 | -175.7 | 177 | 177.8 | -178.6 | -0.5 | 112 | N90 L91 L92 K97 L98 | N90-R94 VanDerWaalsContact O-CB 3.3Å; N90-R94 WeakPolarHBondContact O-CB 3.32Å; N90-R94 PolarHBondContact O-N 3.42Å; L91-R94 PolarHBondContact O-N 2.96Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 2.9Å; R94-K97 PolarHBondContact O-N 3.2Å; R94-L98 HydrophobicContact CG-CD1 4.25Å; R94-L98 WeakPolarHBondContact O-CG 3.37Å; R94-L98 PolarHBondContact O-N 2.87Å |
| 95 | A | 97.2 | Very high | 95.5 | Very high | 53 Ų | 53 | 114.3 Ų | 114.3 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L91 L92 L98 R99 | L91-A95 WeakPolarHBondContact O-CB 3.44Å; L91-A95 PolarHBondContact O-N 3.49Å; L92-A95 PolarHBondContact O-N 3.36Å; A95-L98 PolarHBondContact O-N 3.13Å; A95-R99 WeakPolarHBondContact O-CB 3.45Å; A95-R99 PolarHBondContact O-N 3.04Å |
| 96 | N | 96.5 | Very high | 95.4 | Very high | 77 Ų | 77 | 112.8 Ų | 112.8 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176 | -77.9 | -30.8 | 0 | 0 | 0 | 112 | L92 Q93 R99 M100 | L92-N96 WeakPolarHBondContact O-CB 3.38Å; L92-N96 PolarHBondContact O-N 3.47Å; L92-N96 PolarHBondContact O-ND2 2.88Å; Q93-N96 PolarHBondContact O-N 3.41Å; N96-R99 WeakPolarHBondContact O-CB 3.33Å; N96-R99 PolarHBondContact O-N 2.95Å; N96-M100 WeakPolarHBondContact O-CG 3.43Å; N96-M100 PolarHBondContact O-N 2.9Å |
| 97 | K | 96.1 | Very high | 95.3 | Very high | 132 Ų | 132 | 112.4 Ų | 112.4 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -48 | 176.7 | -173.9 | -179.8 | -178.5 | -172.5 | 0 | 111.6 | Q93 R94 R99 M100 E101 | Q93-K97 WeakPolarHBondContact O-CB 3.42Å; Q93-K97 PolarHBondContact O-N 2.92Å; R94-K97 PolarHBondContact O-N 3.2Å; K97-R99 VanDerWaalsContact C-N 3.27Å; K97-R99 PolarHBondContact O-N 3.44Å; K97-M100 PolarHBondContact O-N 3.4Å; K97-E101 WeakPolarHBondContact CE-OE1 3.38Å; K97-E101 IonicContact NZ-OE1 3.99Å; K97-E101 WeakPolarHBondContact O-CG 3.28Å; K97-E101 PolarHBondContact O-N 3.22Å |
| 98 | L | 95.4 | Very high | 95.3 | Very high | 85 Ų | 85 | 106.9 Ų | 106.9 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 177.3 | -72.1 | 172.1 | 0 | 0 | 0 | 112 | R94 A95 Q102 | R94-L98 HydrophobicContact CG-CD1 4.25Å; R94-L98 WeakPolarHBondContact O-CG 3.37Å; R94-L98 PolarHBondContact O-N 2.87Å; A95-L98 PolarHBondContact O-N 3.13Å; L98-Q102 WeakPolarHBondContact O-CG 3.33Å; L98-Q102 PolarHBondContact O-N 3.13Å |
| 99 | R | 95.3 | Very high | 95.3 | Very high | 160 Ų | 160 | 109.5 Ų | 109.5 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.8 | -45.9 | 175.3 | -172.5 | -178 | 67.3 | 160.3 | 2.2 | 111.5 | A95 N96 K97 Q102 | A95-R99 WeakPolarHBondContact O-CB 3.45Å; A95-R99 PolarHBondContact O-N 3.04Å; N96-R99 WeakPolarHBondContact O-CB 3.33Å; N96-R99 PolarHBondContact O-N 2.95Å; K97-R99 VanDerWaalsContact C-N 3.27Å; K97-R99 PolarHBondContact O-N 3.44Å; R99-Q102 WeakPolarHBondContact O-CB 3.46Å; R99-Q102 PolarHBondContact O-N 2.95Å; R99-Q102 VanDerWaalsContact O-N 3.16Å |
| 100 | M | 93.4 | Very high | 95.2 | Very high | 93 Ų | 93 | 108.2 Ų | 108.2 | 46% | 0.458 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.5 | -70.8 | 176.2 | 68.6 | 0 | 0 | 111.4 | N96 K97 Q102 E103 L106 | N96-M100 WeakPolarHBondContact O-CG 3.43Å; N96-M100 PolarHBondContact O-N 2.9Å; K97-M100 PolarHBondContact O-N 3.4Å; M100-Q102 PolarHBondContact O-N 2.87Å; M100-E103 VanDerWaalsContact O-CB 3.22Å; M100-E103 WeakPolarHBondContact O-CB 3.35Å; M100-E103 WeakPolarHBondContact O-CG 3.37Å; M100-E103 PolarHBondContact O-N 3.29Å; M100-L106 HydrophobicContact CB-CD1 3.86Å; M100-L106 HydrophobicContact CE-CD1 4.37Å; M100-L106 WeakPolarHBondContact O-CD1 3.49Å |
| 101 | E | 91.7 | Very high | 95.1 | Very high | 96 Ų | 96 | 110.6 Ų | 110.6 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59 | -19.8 | 176 | -73.9 | 173.7 | -179 | 0 | 0 | 113.5 | K97 K107 | K97-E101 WeakPolarHBondContact CE-OE1 3.38Å; K97-E101 IonicContact NZ-OE1 3.99Å; K97-E101 WeakPolarHBondContact O-CG 3.28Å; K97-E101 PolarHBondContact O-N 3.22Å; E101-K107 WeakPolarHBondContact O-CE 3.36Å; E101-K107 WeakPolarHBondContact O-CG 3.49Å |
| 102 | Q | 92.6 | Very high | 95.1 | Very high | 135 Ų | 135 | 110.3 Ų | 110.3 | 63% | 0.631 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -20.1 | 174.3 | -72.3 | -179.5 | 14 | 0 | 0 | 113.8 | L98 R99 M100 K107 | L98-Q102 WeakPolarHBondContact O-CG 3.33Å; L98-Q102 PolarHBondContact O-N 3.13Å; R99-Q102 WeakPolarHBondContact O-CB 3.46Å; R99-Q102 PolarHBondContact O-N 2.95Å; R99-Q102 VanDerWaalsContact O-N 3.16Å; M100-Q102 PolarHBondContact O-N 2.87Å; Q102-K107 VanDerWaalsContact O-CE 3.24Å; Q102-K107 WeakPolarHBondContact O-CE 3.19Å; Q102-K107 PolarHBondContact O-NZ 2.82Å |
| 103 | E | 94.6 | Very high | 95.1 | Very high | 92 Ų | 92 | 109 Ų | 109 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -61.1 | 133.1 | 178.2 | -62.9 | 171.6 | -170.6 | 0 | 0 | 110.3 | M100 E105 L106 K107 | M100-E103 VanDerWaalsContact O-CB 3.22Å; M100-E103 WeakPolarHBondContact O-CB 3.35Å; M100-E103 WeakPolarHBondContact O-CG 3.37Å; M100-E103 PolarHBondContact O-N 3.29Å; E103-E105 PolarHBondContact O-N 2.93Å; E103-L106 HydrophobicContact CB-CB 4.46Å; E103-L106 HydrophobicContact CB-CD1 4.48Å; E103-L106 PolarHBondContact O-N 3.49Å; E103-K107 PolarHBondContact O-N 2.96Å |
| 104 | E | 91.7 | Very high | 95.1 | Very high | 151 Ų | 151 | 108.2 Ų | 108.2 | 71% | 0.706 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | -170.4 | -172.1 | 173.8 | -164.1 | 0 | 0 | 112.4 | L106 K107 D108 | E104-L106 VanDerWaalsContact C-N 3.28Å; E104-L106 PolarHBondContact O-N 3.35Å; E104-K107 WeakPolarHBondContact O-CB 3.21Å; E104-K107 PolarHBondContact O-N 3.49Å; E104-K107 VanDerWaalsContact O-N 3.1Å; E104-D108 PolarHBondContact O-N 2.85Å |
| 105 | E | 93.8 | Very high | 95.1 | Very high | 167 Ų | 167 | 104 Ų | 104 | 78% | 0.78 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58 | -41.1 | 176.7 | -59.8 | -179.6 | -179.6 | 0 | 0 | 111.9 | E103 D108 M109 | E103-E105 PolarHBondContact O-N 2.93Å; E105-D108 PolarHBondContact O-N 2.81Å; E105-M109 WeakPolarHBondContact O-CB 3.31Å; E105-M109 PolarHBondContact O-N 2.95Å |
| 106 | L | 91.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 104.2 Ų | 104.2 | 38% | 0.382 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.7 | -35.3 | 177.6 | -77.9 | 179.5 | 0 | 0 | 0 | 112.2 | M100 E103 E104 S110 | M100-L106 HydrophobicContact CB-CD1 3.86Å; M100-L106 HydrophobicContact CE-CD1 4.37Å; M100-L106 WeakPolarHBondContact O-CD1 3.49Å; E103-L106 HydrophobicContact CB-CB 4.46Å; E103-L106 HydrophobicContact CB-CD1 4.48Å; E103-L106 PolarHBondContact O-N 3.49Å; E104-L106 VanDerWaalsContact C-N 3.28Å; E104-L106 PolarHBondContact O-N 3.35Å; L106-S110 WeakPolarHBondContact O-CB 3.27Å; L106-S110 PolarHBondContact O-N 2.93Å |
| 107 | K | 94.1 | Very high | 95.3 | Very high | 102 Ų | 102 | 106.7 Ų | 106.7 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -43 | 172.6 | -71.3 | 178.7 | -178.8 | 157.9 | 0 | 111.7 | E101 Q102 E103 E104 S110 K111 | E101-K107 WeakPolarHBondContact O-CE 3.36Å; E101-K107 WeakPolarHBondContact O-CG 3.49Å; Q102-K107 VanDerWaalsContact O-CE 3.24Å; Q102-K107 WeakPolarHBondContact O-CE 3.19Å; Q102-K107 PolarHBondContact O-NZ 2.82Å; E103-K107 PolarHBondContact O-N 2.96Å; E104-K107 WeakPolarHBondContact O-CB 3.21Å; E104-K107 PolarHBondContact O-N 3.49Å; E104-K107 VanDerWaalsContact O-N 3.1Å; K107-S110 WeakPolarHBondContact O-CB 3.38Å; K107-S110 PolarHBondContact O-N 3.28Å; K107-K111 WeakPolarHBondContact O-CG 3.33Å; K107-K111 PolarHBondContact O-N 3.48Å |
| 108 | D | 95.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 103.6 Ų | 103.6 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 179.4 | -74.5 | -16.2 | 0 | 0 | 0 | 111.7 | E104 E105 S110 K111 I112 | E104-D108 PolarHBondContact O-N 2.85Å; E105-D108 PolarHBondContact O-N 2.81Å; D108-S110 VanDerWaalsContact C-N 3.29Å; D108-S110 PolarHBondContact O-N 3.31Å; D108-K111 WeakPolarHBondContact O-CB 3.26Å; D108-K111 PolarHBondContact O-N 3.45Å; D108-K111 VanDerWaalsContact O-N 3.14Å; D108-K111 IonicContact OD1-NZ 2.67Å; D108-K111 PolarHBondContact OD1-NZ 3.35Å; D108-I112 WeakPolarHBondContact O-CG1 3.36Å; D108-I112 PolarHBondContact O-N 2.88Å |
| 109 | M | 95.5 | Very high | 95.5 | Very high | 104 Ų | 104 | 104 Ų | 104 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.9 | -44 | 169.8 | -173.6 | 61.6 | 68.4 | 0 | 0 | 111.6 | E105 K111 I112 I113 | E105-M109 WeakPolarHBondContact O-CB 3.31Å; E105-M109 PolarHBondContact O-N 2.95Å; M109-K111 VanDerWaalsContact C-N 3.3Å; M109-K111 PolarHBondContact O-N 2.96Å; M109-I112 PolarHBondContact O-N 3.4Å; M109-I113 HydrophobicContact CG-CD1 4.01Å; M109-I113 WeakPolarHBondContact O-CG1 3.42Å; M109-I113 PolarHBondContact O-N 2.84Å |
| 110 | S | 94.8 | Very high | 95.6 | Very high | 73 Ų | 73 | 99.3 Ų | 99.3 | 51% | 0.51 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 177.4 | -171 | 0 | 0 | 0 | 0 | 112.8 | L106 K107 D108 L114 | L106-S110 WeakPolarHBondContact O-CB 3.27Å; L106-S110 PolarHBondContact O-N 2.93Å; K107-S110 WeakPolarHBondContact O-CB 3.38Å; K107-S110 PolarHBondContact O-N 3.28Å; D108-S110 VanDerWaalsContact C-N 3.29Å; D108-S110 PolarHBondContact O-N 3.31Å; S110-L114 WeakPolarHBondContact O-CB 3.24Å; S110-L114 PolarHBondContact O-N 3.42Å |
| 111 | K | 96.2 | Very high | 95.9 | Very high | 130 Ų | 130 | 99.8 Ų | 99.8 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | 174.2 | -67.1 | 169.4 | -167.2 | 157 | 0 | 111.4 | K107 D108 M109 L114 N115 | K107-K111 WeakPolarHBondContact O-CG 3.33Å; K107-K111 PolarHBondContact O-N 3.48Å; D108-K111 WeakPolarHBondContact O-CB 3.26Å; D108-K111 PolarHBondContact O-N 3.45Å; D108-K111 VanDerWaalsContact O-N 3.14Å; D108-K111 IonicContact OD1-NZ 2.67Å; D108-K111 PolarHBondContact OD1-NZ 3.35Å; M109-K111 VanDerWaalsContact C-N 3.3Å; M109-K111 PolarHBondContact O-N 2.96Å; K111-L114 PolarHBondContact O-N 3.26Å; K111-N115 WeakPolarHBondContact O-CB 3.4Å; K111-N115 PolarHBondContact O-N 3.22Å |
| 112 | I | 97.6 | Very high | 96.2 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -46.9 | 177.6 | -65.2 | 167 | 0 | 0 | 0 | 110.2 | D108 M109 L114 N115 A116 | D108-I112 WeakPolarHBondContact O-CG1 3.36Å; D108-I112 PolarHBondContact O-N 2.88Å; M109-I112 PolarHBondContact O-N 3.4Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 3.1Å; I112-N115 PolarHBondContact O-N 2.95Å; I112-A116 PolarHBondContact O-N 3.42Å |
| 113 | I | 97.5 | Very high | 96.5 | Very high | 82 Ų | 82 | 100.4 Ų | 100.4 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 176.8 | -68.1 | 167.9 | 0 | 0 | 0 | 110.9 | M109 N115 A116 K117 | M109-I113 HydrophobicContact CG-CD1 4.01Å; M109-I113 WeakPolarHBondContact O-CG1 3.42Å; M109-I113 PolarHBondContact O-N 2.84Å; I113-N115 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 2.67Å; I113-A116 PolarHBondContact O-N 2.98Å; I113-K117 HydrophobicContact CG2-CD 4.35Å; I113-K117 WeakPolarHBondContact O-CG 3.5Å; I113-K117 PolarHBondContact O-N 3.39Å |
| 114 | L | 97.8 | Very high | 96.7 | Very high | 109 Ų | 109 | 98.7 Ų | 98.7 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 177.6 | 179.5 | 62 | 0 | 0 | 0 | 111.2 | S110 K111 I112 K117 C118 | S110-L114 WeakPolarHBondContact O-CB 3.24Å; S110-L114 PolarHBondContact O-N 3.42Å; K111-L114 PolarHBondContact O-N 3.26Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 3.1Å; L114-K117 WeakPolarHBondContact O-CB 3.33Å; L114-K117 PolarHBondContact O-N 3.29Å; L114-C118 PolarHBondContact O-N 3.28Å; L114-C118 PolarHBondContact O-SG 3.46Å; L114-C118 VanDerWaalsContact O-SG 3.34Å |
| 115 | N | 98.1 | Very high | 97 | Very high | 89 Ų | 89 | 96.9 Ų | 96.9 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 178.7 | -164.2 | 0.4 | 0 | 0 | 0 | 111.5 | K111 I112 I113 K117 C118 H119 | K111-N115 WeakPolarHBondContact O-CB 3.4Å; K111-N115 PolarHBondContact O-N 3.22Å; I112-N115 PolarHBondContact O-N 2.95Å; I113-N115 VanDerWaalsContact C-N 3.33Å; I113-N115 PolarHBondContact O-N 2.67Å; N115-K117 VanDerWaalsContact C-N 3.3Å; N115-K117 PolarHBondContact O-N 2.94Å; N115-C118 WeakPolarHBondContact O-CB 3.45Å; N115-C118 PolarHBondContact O-N 2.94Å; N115-C118 VanDerWaalsContact O-N 3.11Å; N115-H119 PolarHBondContact O-CD2 2.89Å; N115-H119 PolarHBondContact O-N 3.35Å; N115-H119 PolarHBondContact OD1-CD2 3.38Å; N115-H119 PolarHBondContact OD1-NE2 3.49Å; N115-H119 VanDerWaalsContact OD1-NE2 3.07Å |
| 116 | A | 98.4 | Very high | 97.2 | Very high | 58 Ų | 58 | 92.8 Ų | 92.8 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I112 I113 H119 A120 | I112-A116 PolarHBondContact O-N 3.42Å; I113-A116 PolarHBondContact O-N 2.98Å; A116-H119 PolarHBondContact O-N 2.92Å; A116-A120 WeakPolarHBondContact O-CB 3.31Å; A116-A120 PolarHBondContact O-N 2.93Å |
| 117 | K | 98.4 | Very high | 97.5 | Very high | 129 Ų | 129 | 94.7 Ų | 94.7 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 173.9 | -73.1 | 177.5 | 179.6 | -176.5 | 0 | 111.9 | I113 L114 N115 H119 A120 I121 | I113-K117 HydrophobicContact CG2-CD 4.35Å; I113-K117 WeakPolarHBondContact O-CG 3.5Å; I113-K117 PolarHBondContact O-N 3.39Å; L114-K117 WeakPolarHBondContact O-CB 3.33Å; L114-K117 PolarHBondContact O-N 3.29Å; N115-K117 VanDerWaalsContact C-N 3.3Å; N115-K117 PolarHBondContact O-N 2.94Å; K117-H119 VanDerWaalsContact C-N 3.33Å; K117-H119 PolarHBondContact O-N 2.94Å; K117-A120 PolarHBondContact O-N 3.35Å; K117-I121 WeakPolarHBondContact O-CG1 3.4Å; K117-I121 PolarHBondContact O-N 3.46Å |
| 118 | C | 98.1 | Very high | 97.6 | Very high | 67 Ų | 67 | 95.6 Ų | 95.6 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 177.2 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | L114 N115 R122 | L114-C118 PolarHBondContact O-N 3.28Å; L114-C118 PolarHBondContact O-SG 3.46Å; L114-C118 VanDerWaalsContact O-SG 3.34Å; N115-C118 WeakPolarHBondContact O-CB 3.45Å; N115-C118 PolarHBondContact O-N 2.94Å; N115-C118 VanDerWaalsContact O-N 3.11Å; C118-R122 VanDerWaalsContact O-CB 3.31Å; C118-R122 WeakPolarHBondContact O-CB 3.28Å; C118-R122 PolarHBondContact O-N 2.82Å |
| 119 | H | 98.3 | Very high | 97.7 | Very high | 93 Ų | 93 | 100 Ų | 100 | 43% | 0.431 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 175.4 | -80.5 | -67.2 | 0 | 0 | 0 | 111.7 | N115 A116 K117 I121 R122 D123 | N115-H119 PolarHBondContact O-CD2 2.89Å; N115-H119 PolarHBondContact O-N 3.35Å; N115-H119 PolarHBondContact OD1-CD2 3.38Å; N115-H119 PolarHBondContact OD1-NE2 3.49Å; N115-H119 VanDerWaalsContact OD1-NE2 3.07Å; A116-H119 PolarHBondContact O-N 2.92Å; K117-H119 VanDerWaalsContact C-N 3.33Å; K117-H119 PolarHBondContact O-N 2.94Å; H119-I121 VanDerWaalsContact C-N 3.31Å; H119-I121 PolarHBondContact O-N 3.3Å; H119-R122 PolarHBondContact O-N 3.21Å; H119-R122 VanDerWaalsContact O-N 3.12Å; H119-D123 VanDerWaalsContact O-CG 3.23Å; H119-D123 PolarHBondContact O-N 3.23Å |
| 120 | A | 98.4 | Very high | 97.8 | Very high | 62 Ų | 62 | 100 Ų | 100 | 51% | 0.512 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -42.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A116 K117 A124 | A116-A120 WeakPolarHBondContact O-CB 3.31Å; A116-A120 PolarHBondContact O-N 2.93Å; K117-A120 PolarHBondContact O-N 3.35Å; A120-A124 PolarHBondContact O-N 2.96Å; A120-A124 VanDerWaalsContact O-N 3.15Å |
| 121 | I | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 101 Ų | 101 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 176.5 | -67.3 | 166.3 | 0 | 0 | 0 | 110.6 | K117 H119 D123 A124 Q125 | K117-I121 WeakPolarHBondContact O-CG1 3.4Å; K117-I121 PolarHBondContact O-N 3.46Å; H119-I121 VanDerWaalsContact C-N 3.31Å; H119-I121 PolarHBondContact O-N 3.3Å; I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 2.86Å; I121-A124 PolarHBondContact O-N 2.94Å; I121-Q125 HydrophobicContact CG2-CG 4.37Å; I121-Q125 WeakPolarHBondContact O-CG 3.4Å; I121-Q125 PolarHBondContact O-N 3.18Å |
| 122 | R | 98.4 | Very high | 98 | Very high | 155 Ų | 155 | 98.8 Ų | 98.8 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -44.1 | 179.1 | 177.7 | 177.9 | -67.2 | -166.2 | -0.3 | 111.5 | C118 H119 A124 Q125 I126 | C118-R122 VanDerWaalsContact O-CB 3.31Å; C118-R122 WeakPolarHBondContact O-CB 3.28Å; C118-R122 PolarHBondContact O-N 2.82Å; H119-R122 PolarHBondContact O-N 3.21Å; H119-R122 VanDerWaalsContact O-N 3.12Å; R122-A124 VanDerWaalsContact C-N 3.32Å; R122-A124 PolarHBondContact O-N 2.9Å; R122-Q125 PolarHBondContact O-N 3.49Å; R122-I126 HydrophobicContact CG-CD1 3.86Å; R122-I126 HydrophobicContact CG-CG1 4.37Å; R122-I126 VanDerWaalsContact O-CG1 3.3Å; R122-I126 WeakPolarHBondContact O-CG1 3.35Å; R122-I126 PolarHBondContact O-N 2.83Å |
| 123 | D | 98.4 | Very high | 98 | Very high | 89 Ų | 89 | 98.1 Ų | 98.1 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | -179.9 | -66.7 | -15.3 | 0 | 0 | 0 | 110.5 | H119 I121 Q125 I126 L127 | H119-D123 VanDerWaalsContact O-CG 3.23Å; H119-D123 PolarHBondContact O-N 3.23Å; I121-D123 VanDerWaalsContact C-N 3.33Å; I121-D123 PolarHBondContact O-N 2.86Å; D123-Q125 PolarHBondContact O-N 3.39Å; D123-I126 PolarHBondContact O-N 3.38Å; D123-L127 WeakPolarHBondContact O-CG 3.22Å; D123-L127 PolarHBondContact O-N 2.93Å |
| 124 | A | 98.3 | Very high | 97.9 | Very high | 57 Ų | 57 | 100.1 Ų | 100.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A120 I121 R122 I126 L127 E128 | A120-A124 PolarHBondContact O-N 2.96Å; A120-A124 VanDerWaalsContact O-N 3.15Å; I121-A124 PolarHBondContact O-N 2.94Å; R122-A124 VanDerWaalsContact C-N 3.32Å; R122-A124 PolarHBondContact O-N 2.9Å; A124-I126 VanDerWaalsContact C-N 3.34Å; A124-I126 PolarHBondContact O-N 3.42Å; A124-L127 PolarHBondContact O-N 3.43Å; A124-E128 WeakPolarHBondContact O-CB 3.08Å; A124-E128 PolarHBondContact O-N 3.28Å |
| 125 | Q | 98.2 | Very high | 97.8 | Very high | 113 Ų | 113 | 99.5 Ų | 99.5 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 177.5 | -74 | 179.4 | -30.9 | 0 | 0 | 113 | I121 R122 D123 K129 | I121-Q125 HydrophobicContact CG2-CG 4.37Å; I121-Q125 WeakPolarHBondContact O-CG 3.4Å; I121-Q125 PolarHBondContact O-N 3.18Å; R122-Q125 PolarHBondContact O-N 3.49Å; D123-Q125 PolarHBondContact O-N 3.39Å; Q125-K129 WeakPolarHBondContact O-CB 3.49Å; Q125-K129 PolarHBondContact O-N 3.21Å |
| 126 | I | 98.2 | Very high | 97.7 | Very high | 80 Ų | 80 | 99 Ų | 99 | 41% | 0.41 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 176.1 | -71 | 167.2 | 0 | 0 | 0 | 109.9 | R122 D123 A124 K129 Q130 | R122-I126 HydrophobicContact CG-CD1 3.86Å; R122-I126 HydrophobicContact CG-CG1 4.37Å; R122-I126 VanDerWaalsContact O-CG1 3.3Å; R122-I126 WeakPolarHBondContact O-CG1 3.35Å; R122-I126 PolarHBondContact O-N 2.83Å; D123-I126 PolarHBondContact O-N 3.38Å; A124-I126 VanDerWaalsContact C-N 3.34Å; A124-I126 PolarHBondContact O-N 3.42Å; I126-K129 PolarHBondContact O-N 2.95Å; I126-Q130 WeakPolarHBondContact O-CG 3.32Å; I126-Q130 PolarHBondContact O-N 3.47Å |
| 127 | L | 98.1 | Very high | 97.5 | Very high | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | 177.1 | -69.2 | 173.3 | 0 | 0 | 0 | 111.4 | D123 A124 Q130 Q131 | D123-L127 WeakPolarHBondContact O-CG 3.22Å; D123-L127 PolarHBondContact O-N 2.93Å; A124-L127 PolarHBondContact O-N 3.43Å; L127-Q130 PolarHBondContact O-N 3.47Å; L127-Q131 WeakPolarHBondContact O-CB 3.49Å; L127-Q131 PolarHBondContact O-N 3.4Å |
| 128 | E | 97.9 | Very high | 97.3 | Very high | 121 Ų | 121 | 98.5 Ų | 98.5 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59 | -47.4 | 175.8 | -176.5 | 177.8 | -152.9 | 0 | 0 | 111.3 | A124 Q130 Q131 I132 | A124-E128 WeakPolarHBondContact O-CB 3.08Å; A124-E128 PolarHBondContact O-N 3.28Å; E128-Q130 VanDerWaalsContact C-N 3.33Å; E128-Q130 PolarHBondContact O-N 2.91Å; E128-Q131 WeakPolarHBondContact O-CB 3.38Å; E128-Q131 PolarHBondContact O-N 2.57Å; E128-Q131 VanDerWaalsContact O-N 3.14Å; E128-I132 HydrophobicContact CG-CD1 3.99Å; E128-I132 WeakPolarHBondContact O-CG1 3.31Å; E128-I132 PolarHBondContact O-N 3.32Å |
| 129 | K | 98 | Very high | 96.8 | Very high | 159 Ų | 159 | 102.8 Ų | 102.8 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.7 | -42.5 | 177.2 | -173.8 | -175.9 | 179.3 | -175.6 | 0 | 112.2 | Q125 I126 Q131 I132 Q133 | Q125-K129 WeakPolarHBondContact O-CB 3.49Å; Q125-K129 PolarHBondContact O-N 3.21Å; I126-K129 PolarHBondContact O-N 2.95Å; K129-Q131 VanDerWaalsContact C-N 3.31Å; K129-I132 PolarHBondContact O-N 3.07Å; K129-Q133 PolarHBondContact O-N 3.27Å; K129-Q133 VanDerWaalsContact O-N 3.08Å |
| 130 | Q | 97.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 106.3 Ų | 106.3 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | 177.2 | -73.1 | 175.9 | 3.5 | 0 | 0 | 111.9 | I126 L127 E128 K134 | I126-Q130 WeakPolarHBondContact O-CG 3.32Å; I126-Q130 PolarHBondContact O-N 3.47Å; L127-Q130 PolarHBondContact O-N 3.47Å; E128-Q130 VanDerWaalsContact C-N 3.33Å; E128-Q130 PolarHBondContact O-N 2.91Å; Q130-K134 WeakPolarHBondContact O-CG 3.33Å; Q130-K134 PolarHBondContact O-N 3.36Å |
| 131 | Q | 97.4 | Very high | 94.4 | Very high | 95 Ų | 95 | 114.7 Ų | 114.7 | 44% | 0.444 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.6 | -47.4 | 176.8 | -176.3 | 60.4 | 22.3 | 0 | 0 | 111.2 | L127 E128 K129 Q133 K134 E135 | L127-Q131 WeakPolarHBondContact O-CB 3.49Å; L127-Q131 PolarHBondContact O-N 3.4Å; E128-Q131 WeakPolarHBondContact O-CB 3.38Å; E128-Q131 PolarHBondContact O-N 2.57Å; E128-Q131 VanDerWaalsContact O-N 3.14Å; K129-Q131 VanDerWaalsContact C-N 3.31Å; Q131-Q133 VanDerWaalsContact C-N 3.32Å; Q131-Q133 PolarHBondContact O-N 3.16Å; Q131-K134 PolarHBondContact O-N 2.87Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.27Å; Q131-E135 PolarHBondContact NE2-OE1 3.18Å; Q131-E135 WeakPolarHBondContact O-CG 3.39Å; Q131-E135 PolarHBondContact O-N 3.19Å |
| 132 | I | 96.9 | Very high | 94.2 | Very high | 83 Ų | 83 | 115.3 Ų | 115.3 | 43% | 0.426 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.8 | -44.6 | 176.9 | -67.2 | 165.8 | 0 | 0 | 0 | 111 | E128 K129 K134 E135 L136 | E128-I132 HydrophobicContact CG-CD1 3.99Å; E128-I132 WeakPolarHBondContact O-CG1 3.31Å; E128-I132 PolarHBondContact O-N 3.32Å; K129-I132 PolarHBondContact O-N 3.07Å; I132-K134 VanDerWaalsContact C-N 3.33Å; I132-K134 PolarHBondContact O-N 3.18Å; I132-E135 PolarHBondContact O-N 3.09Å; I132-L136 HydrophobicContact CG2-CD1 4Å; I132-L136 HydrophobicContact CG2-CG 4.43Å; I132-L136 WeakPolarHBondContact O-CG 3.38Å; I132-L136 PolarHBondContact O-N 3.23Å |
| 133 | Q | 96.9 | Very high | 93.9 | Very high | 99 Ų | 99 | 113.2 Ų | 113.2 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -42.4 | 179 | -173 | 64 | 54.3 | 0 | 0 | 112 | K129 Q131 E135 L136 D137 | K129-Q133 PolarHBondContact O-N 3.27Å; K129-Q133 VanDerWaalsContact O-N 3.08Å; Q131-Q133 VanDerWaalsContact C-N 3.32Å; Q131-Q133 PolarHBondContact O-N 3.16Å; Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 3.42Å; Q133-L136 PolarHBondContact O-N 2.84Å; Q133-D137 PolarHBondContact NE2-OD1 3.46Å; Q133-D137 PolarHBondContact O-N 3.4Å |
| 134 | K | 96.1 | Very high | 93.7 | Very high | 124 Ų | 124 | 114.6 Ų | 114.6 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -41.7 | 176.8 | -71.4 | 172.7 | -173.9 | 174.4 | 0 | 111.5 | Q130 Q131 I132 D137 T138 | Q130-K134 WeakPolarHBondContact O-CG 3.33Å; Q130-K134 PolarHBondContact O-N 3.36Å; Q131-K134 PolarHBondContact O-N 2.87Å; I132-K134 VanDerWaalsContact C-N 3.33Å; I132-K134 PolarHBondContact O-N 3.18Å; K134-D137 PolarHBondContact O-N 3.11Å; K134-T138 PolarHBondContact O-N 3.48Å; K134-T138 VanDerWaalsContact O-N 3.13Å; K134-T138 PolarHBondContact O-OG1 3.21Å |
| 135 | E | 95.7 | Very high | 93.4 | Very high | 97 Ų | 97 | 117.9 Ų | 117.9 | 45% | 0.453 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.5 | -47 | 178.2 | -72 | 170 | -170.4 | 0 | 0 | 110.9 | Q131 I132 Q133 D137 T138 E139 | Q131-E135 WeakPolarHBondContact CG-OE1 3.27Å; Q131-E135 PolarHBondContact NE2-OE1 3.18Å; Q131-E135 WeakPolarHBondContact O-CG 3.39Å; Q131-E135 PolarHBondContact O-N 3.19Å; I132-E135 PolarHBondContact O-N 3.09Å; Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 PolarHBondContact O-N 3.42Å; E135-D137 PolarHBondContact O-N 3.09Å; E135-T138 WeakPolarHBondContact O-CB 3.5Å; E135-T138 PolarHBondContact O-N 3.47Å; E135-T138 VanDerWaalsContact O-N 3.1Å; E135-E139 PolarHBondContact O-N 3.3Å |
| 136 | L | 95.1 | Very high | 93.1 | Very high | 77 Ų | 77 | 118.3 Ų | 118.3 | 40% | 0.403 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.3 | -48.6 | 174.9 | -70.4 | 169.7 | 0 | 0 | 0 | 112.7 | I132 Q133 T138 E139 E140 | I132-L136 HydrophobicContact CG2-CD1 4Å; I132-L136 HydrophobicContact CG2-CG 4.43Å; I132-L136 WeakPolarHBondContact O-CG 3.38Å; I132-L136 PolarHBondContact O-N 3.23Å; Q133-L136 PolarHBondContact O-N 2.84Å; L136-T138 PolarHBondContact O-N 3.03Å; L136-T138 VanDerWaalsContact O-N 3.13Å; L136-E139 PolarHBondContact O-N 2.83Å; L136-E139 VanDerWaalsContact O-N 3.11Å; L136-E140 PolarHBondContact O-N 2.96Å |
| 137 | D | 94.6 | Very high | 92.8 | Very high | 76 Ų | 76 | 120.8 Ų | 120.8 | 41% | 0.406 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.1 | -22.6 | 178.7 | -66.2 | -9.7 | 0 | 0 | 0 | 112.7 | Q133 K134 E135 K141 | Q133-D137 PolarHBondContact NE2-OD1 3.46Å; Q133-D137 PolarHBondContact O-N 3.4Å; K134-D137 PolarHBondContact O-N 3.11Å; E135-D137 PolarHBondContact O-N 3.09Å; D137-K141 WeakPolarHBondContact O-CG 3.44Å |
| 138 | T | 94.7 | Very high | 92.4 | Very high | 101 Ų | 101 | 121.3 Ų | 121.3 | 62% | 0.62 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -85 | -35.2 | 177.4 | -46.4 | 0 | 0 | 0 | 0 | 111.3 | K134 E135 L136 | K134-T138 PolarHBondContact O-N 3.48Å; K134-T138 VanDerWaalsContact O-N 3.13Å; K134-T138 PolarHBondContact O-OG1 3.21Å; E135-T138 WeakPolarHBondContact O-CB 3.5Å; E135-T138 PolarHBondContact O-N 3.47Å; E135-T138 VanDerWaalsContact O-N 3.1Å; L136-T138 PolarHBondContact O-N 3.03Å; L136-T138 VanDerWaalsContact O-N 3.13Å |
| 139 | E | 88.4 | Confident | 92 | Very high | 158 Ų | 158 | 121.3 Ų | 121.3 | 74% | 0.738 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.1 | -31.3 | 175.3 | -71.2 | -175.9 | 172.3 | 0 | 0 | 113.1 | E135 L136 K141 | E135-E139 PolarHBondContact O-N 3.3Å; L136-E139 PolarHBondContact O-N 2.83Å; L136-E139 VanDerWaalsContact O-N 3.11Å; E139-K141 VanDerWaalsContact C-N 3.31Å; E139-K141 PolarHBondContact O-N 2.8Å |
| 140 | E | 81.9 | Confident | 91.5 | Very high | 167 Ų | 167 | 118.2 Ų | 118.2 | 78% | 0.78 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -6.2 | 179.5 | -69.8 | -173.6 | 169.7 | 0 | 0 | 114.5 | L136 | L136-E140 PolarHBondContact O-N 2.96Š|
| 141 | K | 62.5 | Low | 90.9 | Very high | 237 Ų | 237 | 119.5 Ų | 119.5 | 100% | 1.03 | 57% | 0.573 | S | S | * | * | trans | -95 | 0 | 177.4 | -80.2 | 179.6 | 180 | 173.9 | 0 | 112.8 | D137 E139 | D137-K141 WeakPolarHBondContact O-CG 3.44Å; E139-K141 VanDerWaalsContact C-N 3.31Å; E139-K141 PolarHBondContact O-N 2.8Å |
Retrieved 141 of 141 residues in 167.2 ms
(Link to these results)