| 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 | Very low | 56.7 | Low | 248 Ų | 248 | 163.5 Ų | 163.5 | 100% | 1.222 | 85% | 0.846 | S | S | * | * | 0 | 110.4 | 0 | -68.6 | -83.2 | -150.4 | 0 | 0 | 107 | |||||
| 2 | R | 51.5 | Low | 57.3 | Low | 239 Ų | 239 | 159.7 Ų | 159.7 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 142.7 | 167.2 | -78.7 | -176.2 | -180 | 171.2 | -0.5 | 107.5 | ||
| 3 | P | 54 | Low | 58.2 | Low | 122 Ų | 122 | 161 Ų | 161 | 79% | 0.792 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 135.6 | 172.2 | 5.2 | 10.2 | 0 | 0 | 0 | 108.4 | ||
| 4 | L | 57.1 | Low | 58.7 | Low | 155 Ų | 155 | 162.6 Ų | 162.6 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 121.4 | 168.6 | -72.1 | 162.9 | 0 | 0 | 0 | 106.7 | I6 | L4-I6 PolarHBondContact O-N 3.23Š|
| 5 | D | 53.9 | Low | 59.5 | Low | 158 Ų | 158 | 159.7 Ų | 159.7 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.8 | 166.6 | -84.9 | -36.1 | 0 | 0 | 0 | 107.8 | ||
| 6 | I | 58 | Low | 59.9 | Low | 138 Ų | 138 | 160.2 Ų | 160.2 | 71% | 0.708 | 83% | 0.829 | S | S | * | * | trans | -95.5 | 3.7 | -176.6 | -67.6 | 162.6 | 0 | 0 | 0 | 110.7 | L4 E8 | L4-I6 PolarHBondContact O-N 3.23Å; I6-E8 PolarHBondContact O-N 2.89Å | ||
| 7 | D | 57.1 | Low | 60.5 | Low | 155 Ų | 155 | 158.6 Ų | 158.6 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -90.3 | 16.3 | -169 | -80 | -19.6 | 0 | 0 | 0 | 115.9 | ||||
| 8 | E | 58.2 | Low | 61 | Low | 195 Ų | 195 | 158.1 Ų | 158.1 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -116.5 | 63 | 164.5 | -75.6 | -174.4 | 172.2 | 0 | 0 | 110.3 | I6 | I6-E8 PolarHBondContact O-N 2.89Š| ||
| 9 | V | 59.2 | Low | 61.5 | Low | 119 Ų | 119 | 159.2 Ų | 159.2 | 72% | 0.721 | 83% | 0.826 | S | S | * | * | trans | -97.4 | 96.8 | 159.7 | -175.8 | 0 | 0 | 0 | 0 | 106.7 | A11 | V9-A11 PolarHBondContact O-N 2.78Š| ||
| 10 | E | 66.6 | Low | 61.9 | Low | 184 Ų | 184 | 157.1 Ų | 157.1 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 127.5 | 169.9 | -161.6 | 168.7 | -155.8 | 0 | 0 | 108.5 | ||
| 11 | A | 64.1 | Low | 62.5 | Low | 85 Ų | 85 | 158.8 Ų | 158.8 | 70% | 0.702 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 135.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V9 E13 | V9-A11 PolarHBondContact O-N 2.78Å; A11-E13 PolarHBondContact O-N 3.13Å; A11-E13 VanDerWaalsContact O-N 3.13Å |
| 12 | P | 64.2 | Low | 63.8 | Low | 118 Ų | 118 | 153.7 Ų | 153.7 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 122.9 | -179.4 | 24.2 | -32.2 | 0 | 0 | 0 | 109.2 | E14 | P12-E14 PolarHBondContact O-N 3.22Š|
| 13 | E | 69 | Low | 65.3 | Low | 177 Ų | 177 | 146 Ų | 146 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 117 | 172.3 | -171.3 | 174.3 | -172.2 | 0 | 0 | 108 | A11 V15 | A11-E13 PolarHBondContact O-N 3.13Å; A11-E13 VanDerWaalsContact O-N 3.13Å; E13-V15 VanDerWaalsContact C-N 3.33Å; E13-V15 PolarHBondContact O-N 2.77Å |
| 14 | E | 65 | Low | 66.6 | Low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -67.8 | 95 | 176.2 | -68 | -163.4 | -178.3 | 0 | 0 | 108.5 | P12 E16 | P12-E14 PolarHBondContact O-N 3.22Å; E14-E16 PolarHBondContact O-N 3.48Å; E14-E16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | V | 70.2 | Confident | 67.9 | Low | 119 Ų | 119 | 145.2 Ų | 145.2 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | -71.7 | 102.2 | 171.7 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | E13 V17 | E13-V15 VanDerWaalsContact C-N 3.33Å; E13-V15 PolarHBondContact O-N 2.77Å; V15-V17 PolarHBondContact O-N 3.07Å | ||
| 16 | E | 66 | Low | 69.3 | Low | 168 Ų | 168 | 144.8 Ų | 144.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -60.7 | 108.3 | 169 | -69.4 | -174.3 | 173.6 | 0 | 0 | 108.8 | E14 L18 | E14-E16 PolarHBondContact O-N 3.48Å; E14-E16 VanDerWaalsContact O-N 3.11Å; E16-L18 PolarHBondContact O-N 2.97Å; E16-L18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | V | 70.9 | Confident | 70.6 | Confident | 134 Ų | 134 | 145.2 Ų | 145.2 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -72.2 | 101.6 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | V15 E19 | V15-V17 PolarHBondContact O-N 3.07Å; V17-E19 PolarHBondContact O-N 2.97Å | ||
| 18 | L | 69.3 | Low | 72.2 | Confident | 149 Ų | 149 | 141.5 Ų | 141.5 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131 | 172.1 | -67.7 | 173.3 | 0 | 0 | 0 | 109.5 | E16 | E16-L18 PolarHBondContact O-N 2.97Å; E16-L18 VanDerWaalsContact O-N 3.08Å |
| 19 | E | 70.6 | Confident | 73.9 | Confident | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -61 | 141.3 | 170 | -68 | -170.8 | 161.3 | 0 | 0 | 109.6 | V17 E21 | V17-E19 PolarHBondContact O-N 2.97Å; E19-E21 PolarHBondContact O-N 2.99Å |
| 20 | P | 69.8 | Low | 75.6 | Confident | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 130.4 | 177.1 | 22.9 | -29.7 | 0 | 0 | 0 | 109.9 | E22 | P20-E22 PolarHBondContact O-N 2.96Š|
| 21 | E | 73.3 | Confident | 76.9 | Confident | 193 Ų | 193 | 129.2 Ų | 129.2 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118.4 | 177.1 | -161.8 | 170 | -163.4 | 0 | 0 | 109 | E19 D23 | E19-E21 PolarHBondContact O-N 2.99Å; E21-D23 PolarHBondContact O-N 3.34Å; E21-D23 VanDerWaalsContact O-N 3.08Å |
| 22 | E | 72.7 | Confident | 78.5 | Confident | 141 Ų | 141 | 128.7 Ų | 128.7 | 66% | 0.659 | 66% | 0.659 | S | S | * | * | trans | -67.8 | 107.4 | 179.6 | -71.5 | 178.1 | 153.7 | 0 | 0 | 109.5 | P20 F24 | P20-E22 PolarHBondContact O-N 2.96Å; E22-F24 VanDerWaalsContact C-N 3.28Å; E22-F24 HydrophobicContact CB-CD2 4.42Å; E22-F24 HydrophobicContact CB-CE1 4.17Å; E22-F24 HydrophobicContact CB-CE2 3.89Å; E22-F24 HydrophobicContact CB-CZ 3.75Å; E22-F24 WeakPolarHBondContact O-CD2 3.49Å; E22-F24 WeakPolarHBondContact O-CE2 3.46Å; E22-F24 PolarHBondContact O-N 3.14Å; E22-F24 WeakPolarHBondContact OE2-CZ 3.43Å | ||
| 23 | D | 82.8 | Confident | 80 | Confident | 76 Ų | 76 | 126.4 Ų | 126.4 | 41% | 0.406 | 64% | 0.64 | S | S | . | * | trans | -75.7 | 84.7 | 171.9 | -172.8 | -9.5 | 0 | 0 | 0 | 109.5 | E21 E25 Q26 F27 | E21-D23 PolarHBondContact O-N 3.34Å; E21-D23 VanDerWaalsContact O-N 3.08Å; D23-E25 PolarHBondContact O-N 3.4Å; D23-E25 VanDerWaalsContact O-N 3.14Å; D23-E25 VanDerWaalsContact OD1-CB 3.3Å; D23-E25 WeakPolarHBondContact OD1-CB 3.43Å; D23-E25 PolarHBondContact OD1-N 2.97Å; D23-Q26 HydrophobicContact CB-CB 4.48Å; D23-Q26 HydrophobicContact CB-CG 4.44Å; D23-Q26 PolarHBondContact O-N 3.21Å; D23-Q26 VanDerWaalsContact O-N 3.17Å; D23-Q26 PolarHBondContact OD1-N 3.01Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.5Å; D23-Q26 PolarHBondContact OD2-NE2 3.44Å; D23-F27 PolarHBondContact O-N 3.48Å | ||
| 24 | F | 81.4 | Confident | 81.3 | Confident | 121 Ų | 121 | 123.8 Ų | 123.8 | 53% | 0.531 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -58.3 | -22.8 | 177.4 | -64.7 | -74.4 | 0 | 0 | 0 | 112.6 | E22 L28 | E22-F24 VanDerWaalsContact C-N 3.28Å; E22-F24 HydrophobicContact CB-CD2 4.42Å; E22-F24 HydrophobicContact CB-CE1 4.17Å; E22-F24 HydrophobicContact CB-CE2 3.89Å; E22-F24 HydrophobicContact CB-CZ 3.75Å; E22-F24 WeakPolarHBondContact O-CD2 3.49Å; E22-F24 WeakPolarHBondContact O-CE2 3.46Å; E22-F24 PolarHBondContact O-N 3.14Å; E22-F24 WeakPolarHBondContact OE2-CZ 3.43Å; F24-L28 HydrophobicContact CB-CD1 4.23Å; F24-L28 WeakPolarHBondContact O-CB 3.43Å; F24-L28 WeakPolarHBondContact O-CG 3.34Å; F24-L28 PolarHBondContact O-N 3.47Å |
| 25 | E | 83.3 | Confident | 82.8 | Confident | 141 Ų | 141 | 120.5 Ų | 120.5 | 66% | 0.659 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.2 | -46.3 | 176.9 | -58.2 | -172 | 173.9 | 0 | 0 | 110.4 | D23 F27 L28 L29 | D23-E25 PolarHBondContact O-N 3.4Å; D23-E25 VanDerWaalsContact O-N 3.14Å; D23-E25 VanDerWaalsContact OD1-CB 3.3Å; D23-E25 WeakPolarHBondContact OD1-CB 3.43Å; D23-E25 PolarHBondContact OD1-N 2.97Å; E25-F27 VanDerWaalsContact C-N 3.27Å; E25-F27 PolarHBondContact O-N 2.96Å; E25-L28 PolarHBondContact O-N 3.24Å; E25-L29 HydrophobicContact CB-CD1 4.14Å; E25-L29 VanDerWaalsContact O-CB 3.24Å; E25-L29 WeakPolarHBondContact O-CB 3.32Å; E25-L29 PolarHBondContact O-N 3.33Å |
| 26 | Q | 83.9 | Confident | 84.1 | Confident | 148 Ų | 148 | 122.9 Ų | 122.9 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61 | -35.9 | 177.2 | -75.3 | -179 | 53.3 | 0 | 0 | 112.8 | D23 P30 | D23-Q26 HydrophobicContact CB-CB 4.48Å; D23-Q26 HydrophobicContact CB-CG 4.44Å; D23-Q26 PolarHBondContact O-N 3.21Å; D23-Q26 VanDerWaalsContact O-N 3.17Å; D23-Q26 PolarHBondContact OD1-N 3.01Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.5Å; D23-Q26 PolarHBondContact OD2-NE2 3.44Å; Q26-P30 VanDerWaalsContact O-CD 3.29Å; Q26-P30 WeakPolarHBondContact O-CD 3.36Å |
| 27 | F | 86 | Confident | 85.6 | Confident | 148 Ų | 148 | 121.3 Ų | 121.3 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.8 | -42.1 | 178.2 | 179.4 | -105.3 | 0 | 0 | 0 | 112.8 | D23 E25 | D23-F27 PolarHBondContact O-N 3.48Å; E25-F27 VanDerWaalsContact C-N 3.27Å; E25-F27 PolarHBondContact O-N 2.96Å |
| 28 | L | 90.8 | Very high | 86.9 | Confident | 76 Ų | 76 | 119.8 Ų | 119.8 | 40% | 0.398 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -90.6 | -28.9 | -171.5 | -63.1 | 175.6 | 0 | 0 | 0 | 113.8 | F24 E25 P30 V31 I32 | F24-L28 HydrophobicContact CB-CD1 4.23Å; F24-L28 WeakPolarHBondContact O-CB 3.43Å; F24-L28 WeakPolarHBondContact O-CG 3.34Å; F24-L28 PolarHBondContact O-N 3.47Å; E25-L28 PolarHBondContact O-N 3.24Å; L28-P30 VanDerWaalsContact C-CD 3.5Å; L28-V31 PolarHBondContact O-N 2.99Å; L28-I32 HydrophobicContact CB-CD1 4.04Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.38Å; L28-I32 PolarHBondContact O-N 2.98Å |
| 29 | L | 93.7 | Very high | 88.3 | Confident | 91 Ų | 91 | 117.4 Ų | 117.4 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -53.9 | -46.4 | -178.8 | -118.2 | 87.7 | 0 | 0 | 0 | 113 | E25 V31 I32 N33 | E25-L29 HydrophobicContact CB-CD1 4.14Å; E25-L29 VanDerWaalsContact O-CB 3.24Å; E25-L29 WeakPolarHBondContact O-CB 3.32Å; E25-L29 PolarHBondContact O-N 3.33Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.49Å; L29-I32 PolarHBondContact O-N 3.48Å; L29-N33 WeakPolarHBondContact O-CB 3.36Å; L29-N33 VanDerWaalsContact O-CG 3.24Å; L29-N33 PolarHBondContact O-N 3.24Å; L29-N33 PolarHBondContact O-ND2 3.12Å |
| 30 | P | 94.5 | Very high | 89.6 | Confident | 79 Ų | 79 | 110.5 Ų | 110.5 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.2 | -46.6 | 179.8 | -25.9 | 35.4 | 0 | 0 | 0 | 112.1 | Q26 L28 N33 E34 | Q26-P30 VanDerWaalsContact O-CD 3.29Å; Q26-P30 WeakPolarHBondContact O-CD 3.36Å; L28-P30 VanDerWaalsContact C-CD 3.5Å; P30-N33 PolarHBondContact O-N 3.42Å; P30-E34 PolarHBondContact O-N 3.47Å |
| 31 | V | 94.5 | Very high | 90.9 | Very high | 71 Ų | 71 | 107.7 Ų | 107.7 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 179.3 | -178.3 | 0 | 0 | 0 | 0 | 111 | L28 L29 N33 E34 M35 | L28-V31 PolarHBondContact O-N 2.99Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.49Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-N33 PolarHBondContact O-N 3Å; V31-E34 PolarHBondContact O-N 3.03Å; V31-M35 HydrophobicContact CG1-SD 4.42Å; V31-M35 WeakPolarHBondContact O-CG 3.32Å; V31-M35 PolarHBondContact O-N 3.38Å |
| 32 | I | 95.8 | Very high | 92 | Very high | 74 Ų | 74 | 104.1 Ų | 104.1 | 38% | 0.379 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 178 | -68.2 | 167.3 | 0 | 0 | 0 | 111.1 | L28 L29 R36 | L28-I32 HydrophobicContact CB-CD1 4.04Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.38Å; L28-I32 PolarHBondContact O-N 2.98Å; L29-I32 PolarHBondContact O-N 3.48Å; I32-R36 VanDerWaalsContact O-CG 3.25Å; I32-R36 WeakPolarHBondContact O-CG 3.39Å; I32-R36 PolarHBondContact O-N 3.44Å |
| 33 | N | 96.6 | Very high | 93.2 | Very high | 70 Ų | 70 | 102.8 Ų | 102.8 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 178.4 | -73.9 | -29.5 | 0 | 0 | 0 | 111.6 | L29 P30 V31 M35 R36 E37 | L29-N33 WeakPolarHBondContact O-CB 3.36Å; L29-N33 VanDerWaalsContact O-CG 3.24Å; L29-N33 PolarHBondContact O-N 3.24Å; L29-N33 PolarHBondContact O-ND2 3.12Å; P30-N33 PolarHBondContact O-N 3.42Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-N33 PolarHBondContact O-N 3Å; N33-M35 PolarHBondContact O-N 3.16Å; N33-R36 WeakPolarHBondContact O-CB 3.43Å; N33-R36 PolarHBondContact O-N 2.94Å; N33-R36 VanDerWaalsContact O-N 3.16Å; N33-E37 WeakPolarHBondContact O-CG 3.47Å; N33-E37 PolarHBondContact O-N 2.88Å |
| 34 | E | 96.4 | Very high | 93.9 | Very high | 122 Ų | 122 | 106.8 Ų | 106.8 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.4 | -49.7 | 174.4 | -176.2 | 175.3 | -167 | 0 | 0 | 111.1 | P30 V31 R36 E37 D38 | P30-E34 PolarHBondContact O-N 3.47Å; V31-E34 PolarHBondContact O-N 3.03Å; E34-R36 VanDerWaalsContact C-N 3.26Å; E34-R36 PolarHBondContact O-N 3.29Å; E34-E37 PolarHBondContact O-N 2.93Å; E34-D38 PolarHBondContact O-N 3.4Å |
| 35 | M | 97.3 | Very high | 94.6 | Very high | 114 Ų | 114 | 106.6 Ų | 106.6 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.5 | -36.6 | 176.9 | -70.1 | -178.8 | 72.1 | 0 | 0 | 112.9 | V31 N33 I39 | V31-M35 HydrophobicContact CG1-SD 4.42Å; V31-M35 WeakPolarHBondContact O-CG 3.32Å; V31-M35 PolarHBondContact O-N 3.38Å; N33-M35 PolarHBondContact O-N 3.16Å; M35-I39 WeakPolarHBondContact O-CD1 3.49Å; M35-I39 WeakPolarHBondContact O-CG1 3.45Å; M35-I39 PolarHBondContact O-N 2.9Å |
| 36 | R | 97.4 | Very high | 95.2 | Very high | 169 Ų | 169 | 106.5 Ų | 106.5 | 64% | 0.638 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67 | -39.8 | 176.2 | -76.6 | 172.3 | 173.7 | -159.6 | -0.3 | 111.7 | I32 N33 E34 A40 | I32-R36 VanDerWaalsContact O-CG 3.25Å; I32-R36 WeakPolarHBondContact O-CG 3.39Å; I32-R36 PolarHBondContact O-N 3.44Å; N33-R36 WeakPolarHBondContact O-CB 3.43Å; N33-R36 PolarHBondContact O-N 2.94Å; N33-R36 VanDerWaalsContact O-N 3.16Å; E34-R36 VanDerWaalsContact C-N 3.26Å; E34-R36 PolarHBondContact O-N 3.29Å; R36-A40 WeakPolarHBondContact O-CB 3.38Å; R36-A40 PolarHBondContact O-N 3.34Å |
| 37 | E | 97.8 | Very high | 95.8 | Very high | 134 Ų | 134 | 100.9 Ų | 100.9 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.8 | -39.6 | 176.8 | -72.4 | -178.2 | -175.6 | 0 | 0 | 112 | N33 E34 A40 S41 | N33-E37 WeakPolarHBondContact O-CG 3.47Å; N33-E37 PolarHBondContact O-N 2.88Å; E34-E37 PolarHBondContact O-N 2.93Å; E37-A40 PolarHBondContact O-N 2.95Å; E37-S41 WeakPolarHBondContact O-CB 3.49Å; E37-S41 PolarHBondContact O-N 3Å; E37-S41 PolarHBondContact O-OG 3.48Å |
| 38 | D | 97.5 | Very high | 96.2 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -48 | 174.2 | -77.6 | -17.4 | 0 | 0 | 0 | 111.8 | E34 A40 S41 L42 | E34-D38 PolarHBondContact O-N 3.4Å; D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.35Å; D38-S41 WeakPolarHBondContact O-CB 3.47Å; D38-S41 PolarHBondContact O-N 3.48Å; D38-S41 VanDerWaalsContact O-N 3.16Å; D38-L42 WeakPolarHBondContact O-CB 3.4Å; D38-L42 PolarHBondContact O-N 2.95Å |
| 39 | I | 97.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 98.3 Ų | 98.3 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.5 | -68.9 | 165 | 0 | 0 | 0 | 110.4 | M35 S41 L42 I43 | M35-I39 WeakPolarHBondContact O-CD1 3.49Å; M35-I39 WeakPolarHBondContact O-CG1 3.45Å; M35-I39 PolarHBondContact O-N 2.9Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 3.38Å; I39-L42 PolarHBondContact O-N 3.44Å; I39-I43 HydrophobicContact CG2-CD1 3.86Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 3Å |
| 40 | A | 97.8 | Very high | 96.6 | Very high | 34 Ų | 34 | 100 Ų | 100 | 28% | 0.281 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R36 E37 D38 I43 R44 | R36-A40 WeakPolarHBondContact O-CB 3.38Å; R36-A40 PolarHBondContact O-N 3.34Å; E37-A40 PolarHBondContact O-N 2.95Å; D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.35Å; A40-I43 PolarHBondContact O-N 3.22Å; A40-R44 VanDerWaalsContact O-CG 3.28Å; A40-R44 WeakPolarHBondContact O-CG 3.24Å; A40-R44 PolarHBondContact O-N 3.48Å |
| 41 | S | 97.6 | Very high | 96.6 | Very high | 57 Ų | 57 | 101.6 Ų | 101.6 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 177.2 | -64 | 0 | 0 | 0 | 0 | 111.6 | E37 D38 I39 I43 R44 E45 | E37-S41 WeakPolarHBondContact O-CB 3.49Å; E37-S41 PolarHBondContact O-N 3Å; E37-S41 PolarHBondContact O-OG 3.48Å; D38-S41 WeakPolarHBondContact O-CB 3.47Å; D38-S41 PolarHBondContact O-N 3.48Å; D38-S41 VanDerWaalsContact O-N 3.16Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 3.38Å; S41-I43 PolarHBondContact O-N 3.17Å; S41-R44 PolarHBondContact O-N 2.98Å; S41-E45 WeakPolarHBondContact O-CB 3.49Å; S41-E45 PolarHBondContact O-N 2.71Å |
| 42 | L | 97.4 | Very high | 96.7 | Very high | 118 Ų | 118 | 107 Ų | 107 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 175.5 | -175.6 | 67 | 0 | 0 | 0 | 111.6 | D38 I39 R44 E45 H46 | D38-L42 WeakPolarHBondContact O-CB 3.4Å; D38-L42 PolarHBondContact O-N 2.95Å; I39-L42 PolarHBondContact O-N 3.44Å; L42-R44 PolarHBondContact O-N 3.25Å; L42-E45 PolarHBondContact O-N 3.14Å; L42-H46 WeakPolarHBondContact O-CB 3.48Å; L42-H46 PolarHBondContact O-N 3.4Å |
| 43 | I | 96.9 | Very high | 96.8 | Very high | 114 Ų | 114 | 107.7 Ų | 107.7 | 59% | 0.585 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 177.4 | -69.8 | 166 | 0 | 0 | 0 | 110.9 | I39 A40 S41 E45 H46 G47 | I39-I43 HydrophobicContact CG2-CD1 3.86Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.42Å; I39-I43 PolarHBondContact O-N 3Å; A40-I43 PolarHBondContact O-N 3.22Å; S41-I43 PolarHBondContact O-N 3.17Å; I43-E45 VanDerWaalsContact C-N 3.35Å; I43-E45 PolarHBondContact O-N 3.03Å; I43-H46 PolarHBondContact O-N 3.42Å; I43-G47 PolarHBondContact O-N 2.92Å |
| 44 | R | 96.8 | Very high | 96.8 | Very high | 160 Ų | 160 | 111.7 Ų | 111.7 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 177.3 | -72.9 | 172 | -175.3 | 146.8 | -0.4 | 111.5 | A40 S41 L42 G47 R48 | A40-R44 VanDerWaalsContact O-CG 3.28Å; A40-R44 WeakPolarHBondContact O-CG 3.24Å; A40-R44 PolarHBondContact O-N 3.48Å; S41-R44 PolarHBondContact O-N 2.98Å; L42-R44 PolarHBondContact O-N 3.25Å; R44-G47 PolarHBondContact O-N 2.94Å; R44-R48 WeakPolarHBondContact O-CG 3.46Å; R44-R48 PolarHBondContact O-N 3.13Å |
| 45 | E | 96.5 | Very high | 96.8 | Very high | 116 Ų | 116 | 109 Ų | 109 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 177.7 | -177.6 | 168.6 | -163.3 | 0 | 0 | 111.9 | S41 L42 I43 G47 R48 A49 | S41-E45 WeakPolarHBondContact O-CB 3.49Å; S41-E45 PolarHBondContact O-N 2.71Å; L42-E45 PolarHBondContact O-N 3.14Å; I43-E45 VanDerWaalsContact C-N 3.35Å; I43-E45 PolarHBondContact O-N 3.03Å; E45-G47 VanDerWaalsContact C-N 3.28Å; E45-G47 PolarHBondContact O-N 3.22Å; E45-R48 PolarHBondContact O-N 2.95Å; E45-R48 VanDerWaalsContact O-N 3.11Å; E45-A49 WeakPolarHBondContact O-CB 3.24Å; E45-A49 PolarHBondContact O-N 2.97Å |
| 46 | H | 96.1 | Very high | 96.9 | Very high | 139 Ų | 139 | 108.7 Ų | 108.7 | 64% | 0.644 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.3 | -42.7 | 175.8 | -171.4 | -73.7 | 0 | 0 | 0 | 111.4 | L42 I43 R48 A49 Y50 | L42-H46 WeakPolarHBondContact O-CB 3.48Å; L42-H46 PolarHBondContact O-N 3.4Å; I43-H46 PolarHBondContact O-N 3.42Å; H46-R48 PolarHBondContact O-N 3.17Å; H46-A49 PolarHBondContact O-N 3.39Å; H46-Y50 WeakPolarHBondContact O-CB 3.44Å; H46-Y50 PolarHBondContact O-N 3.4Å |
| 47 | G | 96 | Very high | 96.9 | Very high | 30 Ų | 30 | 105.7 Ų | 105.7 | 31% | 0.309 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | I43 R44 E45 Y50 L51 | I43-G47 PolarHBondContact O-N 2.92Å; R44-G47 PolarHBondContact O-N 2.94Å; E45-G47 VanDerWaalsContact C-N 3.28Å; E45-G47 PolarHBondContact O-N 3.22Å; G47-Y50 PolarHBondContact O-N 3.21Å; G47-L51 WeakPolarHBondContact O-CG 3.46Å; G47-L51 PolarHBondContact O-N 2.92Å |
| 48 | R | 95.7 | Very high | 96.9 | Very high | 125 Ų | 125 | 108.4 Ų | 108.4 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.9 | -71.8 | -171.8 | -60.1 | -95 | 2.3 | 112.2 | R44 E45 H46 L51 R52 | R44-R48 WeakPolarHBondContact O-CG 3.46Å; R44-R48 PolarHBondContact O-N 3.13Å; E45-R48 PolarHBondContact O-N 2.95Å; E45-R48 VanDerWaalsContact O-N 3.11Å; H46-R48 PolarHBondContact O-N 3.17Å; R48-L51 PolarHBondContact O-N 3.25Å; R48-R52 WeakPolarHBondContact O-CG 3.28Å; R48-R52 PolarHBondContact O-N 2.86Å |
| 49 | A | 95.9 | Very high | 97 | Very high | 45 Ų | 45 | 107.6 Ų | 107.6 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | E45 H46 L51 R52 T53 | E45-A49 WeakPolarHBondContact O-CB 3.24Å; E45-A49 PolarHBondContact O-N 2.97Å; H46-A49 PolarHBondContact O-N 3.39Å; A49-L51 PolarHBondContact O-N 3.36Å; A49-R52 PolarHBondContact O-N 3.11Å; A49-T53 PolarHBondContact O-N 3.36Å; A49-T53 PolarHBondContact O-OG1 3.28Å |
| 50 | Y | 95.6 | Very high | 97 | Very high | 128 Ų | 128 | 107.7 Ų | 107.7 | 50% | 0.502 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 175.2 | 173.7 | -100.6 | 0 | 0 | 0 | 112.2 | H46 G47 R52 T53 R54 | H46-Y50 WeakPolarHBondContact O-CB 3.44Å; H46-Y50 PolarHBondContact O-N 3.4Å; G47-Y50 PolarHBondContact O-N 3.21Å; Y50-R52 PolarHBondContact O-N 3.41Å; Y50-T53 PolarHBondContact O-N 3.31Å; Y50-R54 WeakPolarHBondContact O-CB 3.41Å; Y50-R54 PolarHBondContact O-N 3.28Å |
| 51 | L | 95.9 | Very high | 97 | Very high | 111 Ų | 111 | 110 Ų | 110 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -40.8 | 178.7 | -73.2 | 172.8 | 0 | 0 | 0 | 112.6 | G47 R48 A49 R54 S55 | G47-L51 WeakPolarHBondContact O-CG 3.46Å; G47-L51 PolarHBondContact O-N 2.92Å; R48-L51 PolarHBondContact O-N 3.25Å; A49-L51 PolarHBondContact O-N 3.36Å; L51-R54 PolarHBondContact O-N 2.97Å; L51-S55 WeakPolarHBondContact O-CB 3.36Å; L51-S55 PolarHBondContact O-N 3.4Å |
| 52 | R | 96.1 | Very high | 97.1 | Very high | 185 Ų | 185 | 110.9 Ų | 110.9 | 70% | 0.698 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -48.5 | 174.6 | -74.1 | 174.5 | -177 | 170 | 0.5 | 111.4 | R48 A49 Y50 R54 S55 K56 | R48-R52 WeakPolarHBondContact O-CG 3.28Å; R48-R52 PolarHBondContact O-N 2.86Å; A49-R52 PolarHBondContact O-N 3.11Å; Y50-R52 PolarHBondContact O-N 3.41Å; R52-R54 PolarHBondContact O-N 3.11Å; R52-S55 WeakPolarHBondContact O-CB 3.41Å; R52-S55 PolarHBondContact O-N 3.29Å; R52-K56 PolarHBondContact O-N 2.86Å |
| 53 | T | 96.9 | Very high | 97.1 | Very high | 88 Ų | 88 | 109.6 Ų | 109.6 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | A49 Y50 S55 K56 L57 | A49-T53 PolarHBondContact O-N 3.36Å; A49-T53 PolarHBondContact O-OG1 3.28Å; Y50-T53 PolarHBondContact O-N 3.31Å; T53-S55 PolarHBondContact O-N 3.4Å; T53-K56 PolarHBondContact O-N 2.8Å; T53-L57 HydrophobicContact CG2-CD1 4.48Å; T53-L57 WeakPolarHBondContact O-CG 3.48Å; T53-L57 PolarHBondContact O-N 3.07Å |
| 54 | R | 97.1 | Very high | 97.2 | Very high | 155 Ų | 155 | 109.4 Ų | 109.4 | 59% | 0.585 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 176.5 | -174.1 | 174.1 | 174.5 | 100.5 | 2.2 | 112.3 | Y50 L51 R52 K56 L57 W58 | Y50-R54 WeakPolarHBondContact O-CB 3.41Å; Y50-R54 PolarHBondContact O-N 3.28Å; L51-R54 PolarHBondContact O-N 2.97Å; R52-R54 PolarHBondContact O-N 3.11Å; R54-K56 VanDerWaalsContact C-N 3.3Å; R54-K56 PolarHBondContact O-N 3.35Å; R54-L57 PolarHBondContact O-N 3.39Å; R54-W58 PolarHBondContact O-N 2.86Å; R54-W58 VanDerWaalsContact O-N 3.11Å |
| 55 | S | 97.6 | Very high | 97.2 | Very high | 65 Ų | 65 | 106 Ų | 106 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 173.9 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | L51 R52 T53 L57 W58 E59 | L51-S55 WeakPolarHBondContact O-CB 3.36Å; L51-S55 PolarHBondContact O-N 3.4Å; R52-S55 WeakPolarHBondContact O-CB 3.41Å; R52-S55 PolarHBondContact O-N 3.29Å; T53-S55 PolarHBondContact O-N 3.4Å; S55-L57 PolarHBondContact O-N 3.45Å; S55-W58 WeakPolarHBondContact O-CB 3.28Å; S55-W58 PolarHBondContact O-N 3.48Å; S55-W58 VanDerWaalsContact O-N 3.17Å; S55-E59 PolarHBondContact O-N 2.86Å |
| 56 | K | 98.1 | Very high | 97.3 | Very high | 107 Ų | 107 | 105.1 Ų | 105.1 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | -179.9 | -170 | 58.4 | 179 | 175.9 | 0 | 112.9 | R52 T53 R54 W58 E59 M60 | R52-K56 PolarHBondContact O-N 2.86Å; T53-K56 PolarHBondContact O-N 2.8Å; R54-K56 VanDerWaalsContact C-N 3.3Å; R54-K56 PolarHBondContact O-N 3.35Å; K56-W58 VanDerWaalsContact C-N 3.27Å; K56-W58 PolarHBondContact O-N 2.85Å; K56-E59 VanDerWaalsContact CD-OE2 3.27Å; K56-E59 WeakPolarHBondContact CD-OE2 3.27Å; K56-E59 IonicContact NZ-OE2 3.28Å; K56-E59 PolarHBondContact NZ-OE2 3.16Å; K56-E59 WeakPolarHBondContact O-CB 3.41Å; K56-E59 PolarHBondContact O-N 3.44Å; K56-M60 HydrophobicContact CG-SD 4.44Å; K56-M60 WeakPolarHBondContact O-CG 3.15Å; K56-M60 PolarHBondContact O-N 3.24Å |
| 57 | L | 98.2 | Very high | 97.4 | Very high | 107 Ų | 107 | 103.1 Ų | 103.1 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -39.3 | 173.9 | -74.5 | 170.7 | 0 | 0 | 0 | 111.6 | T53 R54 S55 M60 D61 | T53-L57 HydrophobicContact CG2-CD1 4.48Å; T53-L57 WeakPolarHBondContact O-CG 3.48Å; T53-L57 PolarHBondContact O-N 3.07Å; R54-L57 PolarHBondContact O-N 3.39Å; S55-L57 PolarHBondContact O-N 3.45Å; L57-M60 PolarHBondContact O-N 3.44Å; L57-D61 PolarHBondContact O-N 3.49Å |
| 58 | W | 98.3 | Very high | 97.5 | Very high | 190 Ų | 190 | 107.8 Ų | 107.8 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.6 | -38.5 | 178.3 | -157.4 | 67.9 | 0 | 0 | 0 | 112.6 | R54 S55 K56 M60 D61 N62 | R54-W58 PolarHBondContact O-N 2.86Å; R54-W58 VanDerWaalsContact O-N 3.11Å; S55-W58 WeakPolarHBondContact O-CB 3.28Å; S55-W58 PolarHBondContact O-N 3.48Å; S55-W58 VanDerWaalsContact O-N 3.17Å; K56-W58 VanDerWaalsContact C-N 3.27Å; K56-W58 PolarHBondContact O-N 2.85Å; W58-M60 VanDerWaalsContact C-N 3.32Å; W58-M60 PolarHBondContact O-N 2.87Å; W58-D61 PolarHBondContact O-N 2.88Å; W58-N62 WeakPolarHBondContact O-CB 3.27Å; W58-N62 PolarHBondContact O-N 2.94Å |
| 59 | E | 98.3 | Very high | 97.6 | Very high | 87 Ų | 87 | 105.6 Ų | 105.6 | 41% | 0.407 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 170.2 | -71.2 | 170.4 | -161.8 | 0 | 0 | 112 | S55 K56 N62 M63 | S55-E59 PolarHBondContact O-N 2.86Å; K56-E59 VanDerWaalsContact CD-OE2 3.27Å; K56-E59 WeakPolarHBondContact CD-OE2 3.27Å; K56-E59 IonicContact NZ-OE2 3.28Å; K56-E59 PolarHBondContact NZ-OE2 3.16Å; K56-E59 WeakPolarHBondContact O-CB 3.41Å; K56-E59 PolarHBondContact O-N 3.44Å; E59-N62 PolarHBondContact O-N 2.81Å; E59-M63 WeakPolarHBondContact O-CG 3.26Å; E59-M63 PolarHBondContact O-N 3.4Å |
| 60 | M | 98.6 | Very high | 97.7 | Very high | 100 Ų | 100 | 109.9 Ų | 109.9 | 49% | 0.493 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 178.3 | -70.7 | 171.1 | 62.6 | 0 | 0 | 112.1 | K56 L57 W58 N62 M63 L64 | K56-M60 HydrophobicContact CG-SD 4.44Å; K56-M60 WeakPolarHBondContact O-CG 3.15Å; K56-M60 PolarHBondContact O-N 3.24Å; L57-M60 PolarHBondContact O-N 3.44Å; W58-M60 VanDerWaalsContact C-N 3.32Å; W58-M60 PolarHBondContact O-N 2.87Å; M60-N62 VanDerWaalsContact C-N 3.34Å; M60-M63 HydrophobicContact CB-CE 4.46Å; M60-M63 HydrophobicContact CG-CE 4.09Å; M60-M63 PolarHBondContact O-N 2.86Å; M60-L64 WeakPolarHBondContact O-CB 3.35Å; M60-L64 PolarHBondContact O-N 2.92Å |
| 61 | D | 98.4 | Very high | 97.7 | Very high | 83 Ų | 83 | 107.8 Ų | 107.8 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.7 | -167.9 | 58.8 | 0 | 0 | 0 | 111.3 | L57 W58 M63 L64 I65 | L57-D61 PolarHBondContact O-N 3.49Å; W58-D61 PolarHBondContact O-N 2.88Å; D61-M63 PolarHBondContact O-N 3.46Å; D61-L64 WeakPolarHBondContact O-CB 2.93Å; D61-L64 PolarHBondContact O-N 2.85Å; D61-I65 WeakPolarHBondContact O-CG1 3.5Å; D61-I65 PolarHBondContact O-N 3.42Å |
| 62 | N | 98.1 | Very high | 97.7 | Very high | 75 Ų | 75 | 107 Ų | 107 | 40% | 0.401 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175 | -175.5 | 38.2 | 0 | 0 | 0 | 112.5 | W58 E59 M60 L64 I65 Q66 | W58-N62 WeakPolarHBondContact O-CB 3.27Å; W58-N62 PolarHBondContact O-N 2.94Å; E59-N62 PolarHBondContact O-N 2.81Å; M60-N62 VanDerWaalsContact C-N 3.34Å; N62-L64 VanDerWaalsContact C-N 3.33Å; N62-L64 PolarHBondContact O-N 2.9Å; N62-I65 PolarHBondContact O-N 3.26Å; N62-Q66 PolarHBondContact ND2-NE2 3.23Å; N62-Q66 WeakPolarHBondContact O-CG 3.35Å; N62-Q66 PolarHBondContact O-N 2.85Å; N62-Q66 PolarHBondContact OD1-NE2 2.91Å |
| 63 | M | 98.4 | Very high | 97.6 | Very high | 92 Ų | 92 | 100.8 Ų | 100.8 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 174.8 | -73.9 | -174.2 | -62.9 | 0 | 0 | 111.8 | E59 M60 D61 I65 Q66 I67 | E59-M63 WeakPolarHBondContact O-CG 3.26Å; E59-M63 PolarHBondContact O-N 3.4Å; M60-M63 HydrophobicContact CB-CE 4.46Å; M60-M63 HydrophobicContact CG-CE 4.09Å; M60-M63 PolarHBondContact O-N 2.86Å; D61-M63 PolarHBondContact O-N 3.46Å; M63-I65 VanDerWaalsContact C-N 3.34Å; M63-Q66 PolarHBondContact O-N 3.18Å; M63-I67 VanDerWaalsContact O-CG1 3.31Å; M63-I67 WeakPolarHBondContact O-CG1 3.39Å; M63-I67 PolarHBondContact O-N 3.48Å |
| 64 | L | 98.3 | Very high | 97.3 | Very high | 110 Ų | 110 | 100.3 Ų | 100.3 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 178.2 | -176.7 | 63.9 | 0 | 0 | 0 | 111.4 | M60 D61 N62 I67 K68 | M60-L64 WeakPolarHBondContact O-CB 3.35Å; M60-L64 PolarHBondContact O-N 2.92Å; D61-L64 WeakPolarHBondContact O-CB 2.93Å; D61-L64 PolarHBondContact O-N 2.85Å; N62-L64 VanDerWaalsContact C-N 3.33Å; N62-L64 PolarHBondContact O-N 2.9Å; L64-I67 PolarHBondContact O-N 3.29Å; L64-K68 VanDerWaalsContact O-CB 3.29Å; L64-K68 WeakPolarHBondContact O-CB 3.11Å; L64-K68 PolarHBondContact O-N 3.48Å |
| 65 | I | 98.2 | Very high | 97 | Very high | 89 Ų | 89 | 98.6 Ų | 98.6 | 46% | 0.456 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 174.2 | -67.9 | 165 | 0 | 0 | 0 | 110.2 | D61 N62 M63 K68 T69 | D61-I65 WeakPolarHBondContact O-CG1 3.5Å; D61-I65 PolarHBondContact O-N 3.42Å; N62-I65 PolarHBondContact O-N 3.26Å; M63-I65 VanDerWaalsContact C-N 3.34Å; I65-K68 PolarHBondContact O-N 3.36Å; I65-T69 PolarHBondContact O-N 3.27Å; I65-T69 PolarHBondContact O-OG1 3.47Å; I65-T69 VanDerWaalsContact O-OG1 3.1Å |
| 66 | Q | 97.9 | Very high | 96.6 | Very high | 97 Ų | 97 | 101.5 Ų | 101.5 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 178.6 | -71.5 | 174.7 | 34.8 | 0 | 0 | 112.7 | N62 M63 K68 T69 Q70 | N62-Q66 PolarHBondContact ND2-NE2 3.23Å; N62-Q66 WeakPolarHBondContact O-CG 3.35Å; N62-Q66 PolarHBondContact O-N 2.85Å; N62-Q66 PolarHBondContact OD1-NE2 2.91Å; M63-Q66 PolarHBondContact O-N 3.18Å; Q66-K68 VanDerWaalsContact C-N 3.32Å; Q66-K68 PolarHBondContact O-N 3.5Å; Q66-T69 PolarHBondContact O-N 3.23Å; Q66-Q70 WeakPolarHBondContact O-CB 3.46Å; Q66-Q70 WeakPolarHBondContact O-CG 3.03Å; Q66-Q70 PolarHBondContact O-N 3.33Å |
| 67 | I | 97.9 | Very high | 96.1 | Very high | 97 Ų | 97 | 99.3 Ų | 99.3 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.2 | -69.4 | 165.7 | 0 | 0 | 0 | 109.9 | M63 L64 T69 Q70 V71 | M63-I67 VanDerWaalsContact O-CG1 3.31Å; M63-I67 WeakPolarHBondContact O-CG1 3.39Å; M63-I67 PolarHBondContact O-N 3.48Å; L64-I67 PolarHBondContact O-N 3.29Å; I67-T69 PolarHBondContact O-N 2.89Å; I67-Q70 PolarHBondContact O-N 3.43Å; I67-V71 HydrophobicContact CG2-CG2 4.25Å; I67-V71 WeakPolarHBondContact O-CB 3.28Å; I67-V71 VanDerWaalsContact O-CG2 3.31Å; I67-V71 WeakPolarHBondContact O-CG2 3.23Å; I67-V71 PolarHBondContact O-N 3.29Å |
| 68 | K | 98.1 | Very high | 95.5 | Very high | 127 Ų | 127 | 96.8 Ų | 96.8 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.5 | -49.6 | 178 | 179.9 | 175.9 | 171.5 | 178.9 | 0 | 111.1 | L64 I65 Q66 Q70 V71 E72 | L64-K68 VanDerWaalsContact O-CB 3.29Å; L64-K68 WeakPolarHBondContact O-CB 3.11Å; L64-K68 PolarHBondContact O-N 3.48Å; I65-K68 PolarHBondContact O-N 3.36Å; Q66-K68 VanDerWaalsContact C-N 3.32Å; Q66-K68 PolarHBondContact O-N 3.5Å; K68-Q70 VanDerWaalsContact C-N 3.32Å; K68-Q70 PolarHBondContact O-N 2.92Å; K68-V71 PolarHBondContact O-N 2.81Å; K68-E72 WeakPolarHBondContact CE-OE1 3.34Å; K68-E72 HydrophobicContact CG-CG 4.41Å; K68-E72 IonicContact NZ-OE1 2.81Å; K68-E72 WeakPolarHBondContact O-CB 3.31Å; K68-E72 WeakPolarHBondContact O-CG 3.38Å; K68-E72 PolarHBondContact O-N 3.02Å |
| 69 | T | 97.3 | Very high | 94.6 | Very high | 80 Ų | 80 | 92.5 Ų | 92.5 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | I65 Q66 I67 A73 | I65-T69 PolarHBondContact O-N 3.27Å; I65-T69 PolarHBondContact O-OG1 3.47Å; I65-T69 VanDerWaalsContact O-OG1 3.1Å; Q66-T69 PolarHBondContact O-N 3.23Å; I67-T69 PolarHBondContact O-N 2.89Å; T69-A73 VanDerWaalsContact O-CB 3.3Å; T69-A73 WeakPolarHBondContact O-CB 3.36Å; T69-A73 PolarHBondContact O-N 3.43Å |
| 70 | Q | 97.6 | Very high | 93.4 | Very high | 134 Ų | 134 | 92.2 Ų | 92.2 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 176.2 | -75.7 | -179 | -3.3 | 0 | 0 | 112.4 | Q66 I67 K68 A73 S74 | Q66-Q70 WeakPolarHBondContact O-CB 3.46Å; Q66-Q70 WeakPolarHBondContact O-CG 3.03Å; Q66-Q70 PolarHBondContact O-N 3.33Å; I67-Q70 PolarHBondContact O-N 3.43Å; K68-Q70 VanDerWaalsContact C-N 3.32Å; K68-Q70 PolarHBondContact O-N 2.92Å; Q70-A73 PolarHBondContact O-N 3.02Å; Q70-S74 VanDerWaalsContact O-CB 3.28Å; Q70-S74 WeakPolarHBondContact O-CB 3.47Å; Q70-S74 PolarHBondContact O-N 3.4Å |
| 71 | V | 96.6 | Very high | 91.7 | Very high | 84 Ų | 84 | 93.7 Ų | 93.7 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 176.6 | 168.4 | 0 | 0 | 0 | 0 | 110.4 | I67 K68 A73 S74 E75 | I67-V71 HydrophobicContact CG2-CG2 4.25Å; I67-V71 WeakPolarHBondContact O-CB 3.28Å; I67-V71 VanDerWaalsContact O-CG2 3.31Å; I67-V71 WeakPolarHBondContact O-CG2 3.23Å; I67-V71 PolarHBondContact O-N 3.29Å; K68-V71 PolarHBondContact O-N 2.81Å; V71-A73 PolarHBondContact O-N 2.97Å; V71-S74 PolarHBondContact O-N 3.46Å; V71-E75 WeakPolarHBondContact O-CB 3.32Å; V71-E75 PolarHBondContact O-N 2.88Å |
| 72 | E | 95.3 | Very high | 89.9 | Confident | 95 Ų | 95 | 95 Ų | 95 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 176.2 | -73.3 | 172 | 170 | 0 | 0 | 111.1 | K68 S74 E75 E76 | K68-E72 WeakPolarHBondContact CE-OE1 3.34Å; K68-E72 HydrophobicContact CG-CG 4.41Å; K68-E72 IonicContact NZ-OE1 2.81Å; K68-E72 WeakPolarHBondContact O-CB 3.31Å; K68-E72 WeakPolarHBondContact O-CG 3.38Å; K68-E72 PolarHBondContact O-N 3.02Å; E72-S74 VanDerWaalsContact C-N 3.34Å; E72-S74 PolarHBondContact O-N 2.95Å; E72-E75 PolarHBondContact O-N 3.05Å; E72-E76 VanDerWaalsContact O-CB 3.31Å; E72-E76 WeakPolarHBondContact O-CB 3.31Å; E72-E76 PolarHBondContact O-N 3.49Å |
| 73 | A | 93.4 | Very high | 87.8 | Confident | 54 Ų | 54 | 99.3 Ų | 99.3 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T69 Q70 V71 S77 | T69-A73 VanDerWaalsContact O-CB 3.3Å; T69-A73 WeakPolarHBondContact O-CB 3.36Å; T69-A73 PolarHBondContact O-N 3.43Å; Q70-A73 PolarHBondContact O-N 3.02Å; V71-A73 PolarHBondContact O-N 2.97Å; A73-S77 VanDerWaalsContact O-CB 3.23Å; A73-S77 WeakPolarHBondContact O-CB 3.49Å; A73-S77 PolarHBondContact O-N 3.1Å |
| 74 | S | 92.5 | Very high | 85.8 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.9 | -39.4 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 112 | Q70 V71 E72 S77 A78 | Q70-S74 VanDerWaalsContact O-CB 3.28Å; Q70-S74 WeakPolarHBondContact O-CB 3.47Å; Q70-S74 PolarHBondContact O-N 3.4Å; V71-S74 PolarHBondContact O-N 3.46Å; E72-S74 VanDerWaalsContact C-N 3.34Å; E72-S74 PolarHBondContact O-N 2.95Å; S74-S77 PolarHBondContact O-N 2.92Å; S74-A78 WeakPolarHBondContact O-CB 3.36Å; S74-A78 PolarHBondContact O-N 3.3Å |
| 75 | E | 90.8 | Very high | 83.7 | Confident | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.2 | -48.6 | 175.1 | -179 | 177.4 | -171.4 | 0 | 0 | 110.1 | V71 E72 S77 A78 L79 | V71-E75 WeakPolarHBondContact O-CB 3.32Å; V71-E75 PolarHBondContact O-N 2.88Å; E72-E75 PolarHBondContact O-N 3.05Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.39Å; E75-A78 PolarHBondContact O-N 2.94Å; E75-A78 VanDerWaalsContact O-N 3.16Å; E75-L79 HydrophobicContact CG-CD1 4.1Å; E75-L79 HydrophobicContact CG-CG 4.45Å; E75-L79 WeakPolarHBondContact O-CB 3.45Å; E75-L79 WeakPolarHBondContact O-CG 3.3Å; E75-L79 PolarHBondContact O-N 3.34Å |
| 76 | E | 88.8 | Confident | 81.3 | Confident | 126 Ų | 126 | 100.8 Ų | 100.8 | 59% | 0.589 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.7 | -43.1 | 175.3 | 179.6 | 172.1 | -165.4 | 0 | 0 | 111.2 | E72 L79 N80 | E72-E76 VanDerWaalsContact O-CB 3.31Å; E72-E76 WeakPolarHBondContact O-CB 3.31Å; E72-E76 PolarHBondContact O-N 3.49Å; E76-L79 PolarHBondContact O-N 2.85Å; E76-N80 VanDerWaalsContact CG-ND2 3.32Å; E76-N80 WeakPolarHBondContact CG-ND2 3.31Å; E76-N80 VanDerWaalsContact O-CB 3.31Å; E76-N80 WeakPolarHBondContact O-CB 3.31Å; E76-N80 PolarHBondContact O-N 3.34Å; E76-N80 PolarHBondContact O-ND2 3.2Å |
| 77 | S | 86.9 | Confident | 79.2 | Confident | 61 Ų | 61 | 98.7 Ų | 98.7 | 43% | 0.427 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.1 | 179 | 0 | 0 | 0 | 0 | 112.5 | A73 S74 E75 N80 H81 | A73-S77 VanDerWaalsContact O-CB 3.23Å; A73-S77 WeakPolarHBondContact O-CB 3.49Å; A73-S77 PolarHBondContact O-N 3.1Å; S74-S77 PolarHBondContact O-N 2.92Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.39Å; S77-N80 PolarHBondContact O-N 3.26Å; S77-H81 PolarHBondContact O-CD2 2.99Å; S77-H81 PolarHBondContact O-N 3.48Å |
| 78 | A | 85.1 | Confident | 77.3 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S74 E75 H81 V82 | S74-A78 WeakPolarHBondContact O-CB 3.36Å; S74-A78 PolarHBondContact O-N 3.3Å; E75-A78 PolarHBondContact O-N 2.94Å; E75-A78 VanDerWaalsContact O-N 3.16Å; A78-H81 PolarHBondContact O-N 3.45Å; A78-V82 WeakPolarHBondContact O-CG2 3.32Å; A78-V82 PolarHBondContact O-N 3.42Å |
| 79 | L | 79.8 | Confident | 75.3 | Confident | 100 Ų | 100 | 97.6 Ų | 97.6 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 176.3 | -70.4 | 176.6 | 0 | 0 | 0 | 112 | E75 E76 H81 V82 Q83 | E75-L79 HydrophobicContact CG-CD1 4.1Å; E75-L79 HydrophobicContact CG-CG 4.45Å; E75-L79 WeakPolarHBondContact O-CB 3.45Å; E75-L79 WeakPolarHBondContact O-CG 3.3Å; E75-L79 PolarHBondContact O-N 3.34Å; E76-L79 PolarHBondContact O-N 2.85Å; L79-H81 VanDerWaalsContact C-N 3.33Å; L79-H81 PolarHBondContact O-N 3.23Å; L79-V82 CarbonylContact O-C 3.54Å; L79-V82 PolarHBondContact O-N 3.21Å; L79-V82 VanDerWaalsContact O-N 3.11Å; L79-Q83 PolarHBondContact O-N 3Å |
| 80 | N | 74.1 | Confident | 73.5 | Confident | 80 Ų | 80 | 98.5 Ų | 98.5 | 43% | 0.428 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -41.6 | 173.1 | -81.8 | -61.2 | 0 | 0 | 0 | 111.1 | E76 S77 V82 Q83 H84 | E76-N80 VanDerWaalsContact CG-ND2 3.32Å; E76-N80 WeakPolarHBondContact CG-ND2 3.31Å; E76-N80 VanDerWaalsContact O-CB 3.31Å; E76-N80 WeakPolarHBondContact O-CB 3.31Å; E76-N80 PolarHBondContact O-N 3.34Å; E76-N80 PolarHBondContact O-ND2 3.2Å; S77-N80 PolarHBondContact O-N 3.26Å; N80-V82 VanDerWaalsContact C-N 3.29Å; N80-V82 PolarHBondContact O-N 2.95Å; N80-Q83 PolarHBondContact O-N 3.47Å; N80-H84 WeakPolarHBondContact O-CB 3.48Å; N80-H84 PolarHBondContact O-N 3.5Å |
| 81 | H | 63 | Low | 71.8 | Confident | 132 Ų | 132 | 97.8 Ų | 97.8 | 61% | 0.611 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.1 | -28.2 | 173 | -86.8 | -55.5 | 0 | 0 | 0 | 113.9 | S77 A78 L79 P85 | S77-H81 PolarHBondContact O-CD2 2.99Å; S77-H81 PolarHBondContact O-N 3.48Å; A78-H81 PolarHBondContact O-N 3.45Å; L79-H81 VanDerWaalsContact C-N 3.33Å; L79-H81 PolarHBondContact O-N 3.23Å; H81-P85 WeakPolarHBondContact O-CB 3.43Å; H81-P85 WeakPolarHBondContact O-CD 3.27Å; H81-P85 WeakPolarHBondContact O-CG 2.81Å |
| 82 | V | 58.9 | Low | 70.5 | Confident | 110 Ų | 110 | 101 Ų | 101 | 67% | 0.667 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -80.1 | -24.6 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | A78 L79 N80 P85 | A78-V82 WeakPolarHBondContact O-CG2 3.32Å; A78-V82 PolarHBondContact O-N 3.42Å; L79-V82 CarbonylContact O-C 3.54Å; L79-V82 PolarHBondContact O-N 3.21Å; L79-V82 VanDerWaalsContact O-N 3.11Å; N80-V82 VanDerWaalsContact C-N 3.29Å; N80-V82 PolarHBondContact O-N 2.95Å; V82-P85 WeakPolarHBondContact O-CD 3.33Å; V82-P85 WeakPolarHBondContact O-CG 3.29Å |
| 83 | Q | 55.8 | Low | 69.4 | Low | 165 Ų | 165 | 100.9 Ų | 100.9 | 77% | 0.771 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -80.3 | -26.1 | 167 | -98.3 | 170.3 | 1.5 | 0 | 0 | 113.3 | L79 N80 | L79-Q83 PolarHBondContact O-N 3Å; N80-Q83 PolarHBondContact O-N 3.47Å |
| 84 | H | 54.7 | Low | 68.5 | Low | 168 Ų | 168 | 101.9 Ų | 101.9 | 78% | 0.778 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -102.1 | 24.7 | 177.7 | -114.8 | -73.3 | 0 | 0 | 0 | 118.5 | N80 | N80-H84 WeakPolarHBondContact O-CB 3.48Å; N80-H84 PolarHBondContact O-N 3.5Å |
| 85 | P | 54.1 | Low | 67.9 | Low | 78 Ų | 78 | 103.7 Ų | 103.7 | 51% | 0.506 | 57% | 0.565 | S | S | . | * | trans | -113 | 91.4 | 173.9 | 39.7 | -23.9 | 0 | 0 | 0 | 110.7 | H81 V82 | H81-P85 WeakPolarHBondContact O-CB 3.43Å; H81-P85 WeakPolarHBondContact O-CD 3.27Å; H81-P85 WeakPolarHBondContact O-CG 2.81Å; V82-P85 WeakPolarHBondContact O-CD 3.33Å; V82-P85 WeakPolarHBondContact O-CG 3.29Å | ||
| 86 | S | 49.5 | Very low | 67.4 | Low | 76 Ų | 76 | 103.8 Ų | 103.8 | 53% | 0.531 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -171.2 | 17.5 | 155.9 | 51.3 | 0 | 0 | 0 | 0 | 114.5 | D90 | S86-D90 WeakPolarHBondContact O-CB 3.39Š|
| 87 | G | 54 | Low | 67.2 | Low | 54 Ų | 54 | 101.7 Ų | 101.7 | 56% | 0.557 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -76.8 | -80.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | E91 | G87-E91 VanDerWaalsContact O-CB 3.26Å; G87-E91 WeakPolarHBondContact O-CB 3.39Å; G87-E91 PolarHBondContact O-N 2.86Å |
| 88 | E | 56.6 | Low | 67.2 | Low | 134 Ų | 134 | 105.4 Ų | 105.4 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -76 | -28.8 | -168.7 | -70.2 | -173.7 | 172.8 | 0 | 0 | 115.7 | R92 | E88-R92 VanDerWaalsContact O-CG 3.27Å; E88-R92 WeakPolarHBondContact O-CG 3.49Å; E88-R92 PolarHBondContact O-N 3.47Å; E88-R92 PolarHBondContact O-NE 3.29Å; E88-R92 IonicContact OE2-NH2 2.71Å; E88-R92 PolarHBondContact OE2-NH2 2.89Å |
| 89 | A | 57.5 | Low | 67.5 | Low | 67 Ų | 67 | 108.9 Ų | 108.9 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -78.9 | -36.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V93 | A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.33Å; A89-V93 PolarHBondContact O-N 2.98Å; A89-V93 VanDerWaalsContact O-N 3.11Å |
| 90 | D | 59 | Low | 68.1 | Low | 99 Ų | 99 | 107 Ų | 107 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.8 | -36.8 | 178.4 | -132 | 14.9 | 0 | 0 | 0 | 110.7 | S86 V93 S94 | S86-D90 WeakPolarHBondContact O-CB 3.39Å; D90-V93 PolarHBondContact O-N 3.01Å; D90-S94 VanDerWaalsContact O-CB 3.28Å; D90-S94 WeakPolarHBondContact O-CB 3.48Å; D90-S94 PolarHBondContact O-N 3.48Å |
| 91 | E | 61.5 | Low | 68.9 | Low | 119 Ų | 119 | 108.2 Ų | 108.2 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61 | -47.2 | 172 | -172.3 | 169.8 | -153.5 | 0 | 0 | 111.9 | G87 V93 S94 E95 | G87-E91 VanDerWaalsContact O-CB 3.26Å; G87-E91 WeakPolarHBondContact O-CB 3.39Å; G87-E91 PolarHBondContact O-N 2.86Å; E91-V93 VanDerWaalsContact C-N 3.35Å; E91-V93 PolarHBondContact O-N 3.17Å; E91-S94 WeakPolarHBondContact O-CB 3.5Å; E91-S94 PolarHBondContact O-N 3.38Å; E91-E95 WeakPolarHBondContact O-CG 3.48Å; E91-E95 PolarHBondContact O-N 2.9Å |
| 92 | R | 68.5 | Low | 70.4 | Confident | 151 Ų | 151 | 107.8 Ų | 107.8 | 57% | 0.57 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.8 | -35.4 | 176.9 | -72.9 | -176.7 | -123.5 | -169.2 | -1.9 | 113.3 | E88 L96 | E88-R92 VanDerWaalsContact O-CG 3.27Å; E88-R92 WeakPolarHBondContact O-CG 3.49Å; E88-R92 PolarHBondContact O-N 3.47Å; E88-R92 PolarHBondContact O-NE 3.29Å; E88-R92 IonicContact OE2-NH2 2.71Å; E88-R92 PolarHBondContact OE2-NH2 2.89Å; R92-L96 VanDerWaalsContact O-CG 3.28Å; R92-L96 WeakPolarHBondContact O-CG 3.37Å; R92-L96 PolarHBondContact O-N 3.41Å |
| 93 | V | 72.5 | Confident | 72.2 | Confident | 92 Ų | 92 | 108.6 Ų | 108.6 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.4 | -38.9 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | A89 D90 E91 L96 C97 | A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.33Å; A89-V93 PolarHBondContact O-N 2.98Å; A89-V93 VanDerWaalsContact O-N 3.11Å; D90-V93 PolarHBondContact O-N 3.01Å; E91-V93 VanDerWaalsContact C-N 3.35Å; E91-V93 PolarHBondContact O-N 3.17Å; V93-L96 PolarHBondContact O-N 3.11Å; V93-C97 WeakPolarHBondContact O-CB 3.49Å; V93-C97 PolarHBondContact O-N 3.49Å |
| 94 | S | 74.8 | Confident | 74.1 | Confident | 75 Ų | 75 | 103.4 Ų | 103.4 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.9 | -47.2 | 175.2 | -168.9 | 0 | 0 | 0 | 0 | 111.8 | D90 E91 L96 C97 E98 | D90-S94 VanDerWaalsContact O-CB 3.28Å; D90-S94 WeakPolarHBondContact O-CB 3.48Å; D90-S94 PolarHBondContact O-N 3.48Å; E91-S94 WeakPolarHBondContact O-CB 3.5Å; E91-S94 PolarHBondContact O-N 3.38Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 3.29Å; S94-C97 PolarHBondContact O-N 3.47Å; S94-C97 VanDerWaalsContact O-N 3.17Å; S94-E98 PolarHBondContact O-N 2.85Å |
| 95 | E | 79.1 | Confident | 76.1 | Confident | 118 Ų | 118 | 101.3 Ų | 101.3 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.5 | -40.6 | 175.7 | -74.3 | -178.7 | 170 | 0 | 0 | 112.6 | E91 K99 | E91-E95 WeakPolarHBondContact O-CG 3.48Å; E91-E95 PolarHBondContact O-N 2.9Å; E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 PolarHBondContact O-N 3.28Å; E95-K99 VanDerWaalsContact O-N 3.13Å |
| 96 | L | 82.1 | Confident | 78.1 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.8 | -35.7 | 177.1 | -73.4 | 174 | 0 | 0 | 0 | 112.3 | R92 V93 S94 A100 | R92-L96 VanDerWaalsContact O-CG 3.28Å; R92-L96 WeakPolarHBondContact O-CG 3.37Å; R92-L96 PolarHBondContact O-N 3.41Å; V93-L96 PolarHBondContact O-N 3.11Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 3.29Å; L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 3.48Å |
| 97 | C | 83 | Confident | 80.3 | Confident | 82 Ų | 82 | 104.7 Ų | 104.7 | 55% | 0.554 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -45.9 | 177.9 | -158.6 | 0 | 0 | 0 | 0 | 111.3 | V93 S94 K99 A100 E101 | V93-C97 WeakPolarHBondContact O-CB 3.49Å; V93-C97 PolarHBondContact O-N 3.49Å; S94-C97 PolarHBondContact O-N 3.47Å; S94-C97 VanDerWaalsContact O-N 3.17Å; C97-K99 VanDerWaalsContact C-N 3.32Å; C97-K99 PolarHBondContact O-N 2.88Å; C97-A100 PolarHBondContact O-N 3.11Å; C97-A100 VanDerWaalsContact O-N 3.14Å; C97-E101 PolarHBondContact O-N 3.35Å |
| 98 | E | 87.4 | Confident | 82.4 | Confident | 139 Ų | 139 | 104.5 Ų | 104.5 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.3 | -44.2 | 176.5 | -173.2 | 174 | -167.3 | 0 | 0 | 111.4 | S94 A100 E101 E102 | S94-E98 PolarHBondContact O-N 2.85Å; E98-A100 VanDerWaalsContact C-N 3.33Å; E98-A100 PolarHBondContact O-N 2.99Å; E98-E101 PolarHBondContact O-N 3.41Å; E98-E102 PolarHBondContact O-N 3.44Å |
| 99 | K | 91.6 | Very high | 84.3 | Confident | 128 Ų | 128 | 105 Ų | 105 | 56% | 0.557 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.3 | -34.6 | 176.6 | -166.9 | 172.4 | -170.9 | 168.7 | 0 | 113.2 | E95 C97 K103 | E95-K99 WeakPolarHBondContact O-CB 3.48Å; E95-K99 PolarHBondContact O-N 3.28Å; E95-K99 VanDerWaalsContact O-N 3.13Å; C97-K99 VanDerWaalsContact C-N 3.32Å; C97-K99 PolarHBondContact O-N 2.88Å; K99-K103 WeakPolarHBondContact O-CG 3.37Å; K99-K103 PolarHBondContact O-N 3.49Å |
| 100 | A | 92 | Very high | 86.2 | Confident | 59 Ų | 59 | 106.9 Ų | 106.9 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L96 C97 E98 K103 A104 | L96-A100 WeakPolarHBondContact O-CB 3.44Å; L96-A100 PolarHBondContact O-N 3.48Å; C97-A100 PolarHBondContact O-N 3.11Å; C97-A100 VanDerWaalsContact O-N 3.14Å; E98-A100 VanDerWaalsContact C-N 3.33Å; E98-A100 PolarHBondContact O-N 2.99Å; A100-K103 PolarHBondContact O-N 3.36Å; A100-A104 WeakPolarHBondContact O-CB 3.4Å; A100-A104 PolarHBondContact O-N 2.94Å |
| 101 | E | 92.3 | Very high | 88 | Confident | 107 Ų | 107 | 104.5 Ų | 104.5 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 177.5 | -162.4 | -172.3 | 145.7 | 0 | 0 | 112.1 | C97 E98 K103 A104 K105 | C97-E101 PolarHBondContact O-N 3.35Å; E98-E101 PolarHBondContact O-N 3.41Å; E101-K103 PolarHBondContact O-N 3.02Å; E101-A104 PolarHBondContact O-N 3.48Å; E101-K105 WeakPolarHBondContact O-CG 3.35Å; E101-K105 PolarHBondContact O-N 3.43Å; E101-K105 VanDerWaalsContact OE1-CE 3.24Å; E101-K105 WeakPolarHBondContact OE1-CE 3.49Å; E101-K105 IonicContact OE1-NZ 3.82Å; E101-K105 PolarHBondContact OE1-NZ 2.9Å |
| 102 | E | 93.6 | Very high | 89.6 | Confident | 123 Ų | 123 | 105.4 Ų | 105.4 | 58% | 0.575 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.1 | -46.9 | 174.1 | -169.2 | -174.6 | -166.4 | 0 | 0 | 111.1 | E98 A104 K105 E106 | E98-E102 PolarHBondContact O-N 3.44Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 2.83Å; E102-K105 WeakPolarHBondContact O-CB 3.38Å; E102-K105 PolarHBondContact O-N 3.04Å; E102-K105 VanDerWaalsContact O-N 3.17Å; E102-E106 PolarHBondContact O-N 3.24Å |
| 103 | K | 95.8 | Very high | 91 | Very high | 126 Ų | 126 | 104.1 Ų | 104.1 | 55% | 0.548 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.2 | -76.8 | -170.1 | 173.7 | -167.8 | 0 | 112.9 | K99 A100 E101 K105 E106 I107 | K99-K103 WeakPolarHBondContact O-CG 3.37Å; K99-K103 PolarHBondContact O-N 3.49Å; A100-K103 PolarHBondContact O-N 3.36Å; E101-K103 PolarHBondContact O-N 3.02Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 2.95Å; K103-E106 PolarHBondContact O-N 3.37Å; K103-I107 WeakPolarHBondContact O-CB 3.32Å; K103-I107 VanDerWaalsContact O-CG1 3.24Å; K103-I107 WeakPolarHBondContact O-CG1 3.4Å; K103-I107 PolarHBondContact O-N 3.05Å |
| 104 | A | 96 | Very high | 92.1 | Very high | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A100 E101 E102 I107 A108 | A100-A104 WeakPolarHBondContact O-CB 3.4Å; A100-A104 PolarHBondContact O-N 2.94Å; E101-A104 PolarHBondContact O-N 3.48Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 2.83Å; A104-I107 PolarHBondContact O-N 3.46Å; A104-A108 WeakPolarHBondContact O-CB 3.37Å; A104-A108 PolarHBondContact O-N 3.05Å |
| 105 | K | 96.4 | Very high | 93.1 | Very high | 125 Ų | 125 | 106.3 Ų | 106.3 | 54% | 0.543 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -42.3 | 175.1 | -71.8 | 169.6 | -176.3 | 160.7 | 0 | 112 | E101 E102 K103 A108 K109 | E101-K105 WeakPolarHBondContact O-CG 3.35Å; E101-K105 PolarHBondContact O-N 3.43Å; E101-K105 VanDerWaalsContact OE1-CE 3.24Å; E101-K105 WeakPolarHBondContact OE1-CE 3.49Å; E101-K105 IonicContact OE1-NZ 3.82Å; E101-K105 PolarHBondContact OE1-NZ 2.9Å; E102-K105 WeakPolarHBondContact O-CB 3.38Å; E102-K105 PolarHBondContact O-N 3.04Å; E102-K105 VanDerWaalsContact O-N 3.17Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 2.95Å; K105-A108 PolarHBondContact O-N 3.48Å; K105-K109 WeakPolarHBondContact O-CB 3.41Å; K105-K109 PolarHBondContact O-N 3.07Å |
| 106 | E | 96.3 | Very high | 93.9 | Very high | 117 Ų | 117 | 106.2 Ų | 106.2 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.2 | -44.1 | 174.3 | -69.8 | -164.5 | 147.2 | 0 | 0 | 112.1 | E102 K103 K109 M110 | E102-E106 PolarHBondContact O-N 3.24Å; K103-E106 PolarHBondContact O-N 3.37Å; E106-K109 PolarHBondContact O-N 3.42Å; E106-M110 HydrophobicContact CB-CE 4.48Å; E106-M110 WeakPolarHBondContact O-CG 3.33Å; E106-M110 PolarHBondContact O-N 2.95Å |
| 107 | I | 96.9 | Very high | 94.5 | Very high | 108 Ų | 108 | 105.3 Ų | 105.3 | 55% | 0.554 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 177.3 | -68.8 | 167 | 0 | 0 | 0 | 111 | K103 A104 K109 M110 A111 | K103-I107 WeakPolarHBondContact O-CB 3.32Å; K103-I107 VanDerWaalsContact O-CG1 3.24Å; K103-I107 WeakPolarHBondContact O-CG1 3.4Å; K103-I107 PolarHBondContact O-N 3.05Å; A104-I107 PolarHBondContact O-N 3.46Å; I107-K109 PolarHBondContact O-N 3.16Å; I107-M110 HydrophobicContact CG1-CE 4.22Å; I107-M110 PolarHBondContact O-N 3.35Å; I107-A111 WeakPolarHBondContact O-CB 3.29Å; I107-A111 PolarHBondContact O-N 2.97Å |
| 108 | A | 97.3 | Very high | 95.1 | Very high | 50 Ų | 50 | 104.9 Ų | 104.9 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A104 K105 M110 A111 E112 | A104-A108 WeakPolarHBondContact O-CB 3.37Å; A104-A108 PolarHBondContact O-N 3.05Å; K105-A108 PolarHBondContact O-N 3.48Å; A108-M110 VanDerWaalsContact C-N 3.35Å; A108-M110 PolarHBondContact O-N 3.42Å; A108-A111 WeakPolarHBondContact O-CB 3.48Å; A108-A111 PolarHBondContact O-N 3.16Å; A108-A111 VanDerWaalsContact O-N 3.16Å; A108-E112 WeakPolarHBondContact O-CG 3.34Å; A108-E112 PolarHBondContact O-N 2.99Å |
| 109 | K | 97.2 | Very high | 95.4 | Very high | 143 Ų | 143 | 105.3 Ų | 105.3 | 62% | 0.622 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 176.9 | -170.6 | 178.7 | -178.5 | -179.4 | 0 | 112.3 | K105 E106 I107 A111 E112 M113 | K105-K109 WeakPolarHBondContact O-CB 3.41Å; K105-K109 PolarHBondContact O-N 3.07Å; E106-K109 PolarHBondContact O-N 3.42Å; I107-K109 PolarHBondContact O-N 3.16Å; K109-A111 VanDerWaalsContact C-N 3.34Å; K109-E112 PolarHBondContact O-N 2.97Å; K109-M113 WeakPolarHBondContact O-CG 3.22Å; K109-M113 PolarHBondContact O-N 3.21Å; K109-M113 VanDerWaalsContact O-N 3.12Å |
| 110 | M | 96.9 | Very high | 95.5 | Very high | 107 Ų | 107 | 107.2 Ų | 107.2 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.2 | -76.3 | -171.9 | -77.9 | 0 | 0 | 111.9 | E106 I107 A108 M113 L114 | E106-M110 HydrophobicContact CB-CE 4.48Å; E106-M110 WeakPolarHBondContact O-CG 3.33Å; E106-M110 PolarHBondContact O-N 2.95Å; I107-M110 HydrophobicContact CG1-CE 4.22Å; I107-M110 PolarHBondContact O-N 3.35Å; A108-M110 VanDerWaalsContact C-N 3.35Å; A108-M110 PolarHBondContact O-N 3.42Å; M110-M113 PolarHBondContact O-N 3.44Å; M110-L114 WeakPolarHBondContact O-CG 3.47Å; M110-L114 PolarHBondContact O-N 2.85Å |
| 111 | A | 96.7 | Very high | 95.6 | Very high | 49 Ų | 49 | 107.9 Ų | 107.9 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | I107 A108 K109 M113 L114 V115 | I107-A111 WeakPolarHBondContact O-CB 3.29Å; I107-A111 PolarHBondContact O-N 2.97Å; A108-A111 WeakPolarHBondContact O-CB 3.48Å; A108-A111 PolarHBondContact O-N 3.16Å; A108-A111 VanDerWaalsContact O-N 3.16Å; K109-A111 VanDerWaalsContact C-N 3.34Å; A111-M113 PolarHBondContact O-N 3.05Å; A111-L114 PolarHBondContact O-N 3.5Å; A111-V115 WeakPolarHBondContact O-CG2 3.28Å; A111-V115 PolarHBondContact O-N 3.35Å |
| 112 | E | 96.3 | Very high | 95.4 | Very high | 138 Ų | 138 | 108.1 Ų | 108.1 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.7 | -47 | 175.2 | -74.3 | 176.9 | 179.2 | 0 | 0 | 111.8 | A108 K109 L114 V115 E116 | A108-E112 WeakPolarHBondContact O-CG 3.34Å; A108-E112 PolarHBondContact O-N 2.99Å; K109-E112 PolarHBondContact O-N 2.97Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 2.84Å; E112-V115 PolarHBondContact O-N 2.89Å; E112-E116 PolarHBondContact O-N 2.88Å |
| 113 | M | 96 | Very high | 95 | Very high | 124 Ų | 124 | 110.6 Ų | 110.6 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 177.3 | -73.1 | -176.2 | 61.7 | 0 | 0 | 112.6 | K109 M110 A111 E116 L117 | K109-M113 WeakPolarHBondContact O-CG 3.22Å; K109-M113 PolarHBondContact O-N 3.21Å; K109-M113 VanDerWaalsContact O-N 3.12Å; M110-M113 PolarHBondContact O-N 3.44Å; A111-M113 PolarHBondContact O-N 3.05Å; M113-E116 PolarHBondContact O-N 3.32Å; M113-L117 WeakPolarHBondContact O-CB 3.19Å; M113-L117 PolarHBondContact O-N 3.19Å |
| 114 | L | 96.4 | Very high | 94.2 | Very high | 110 Ų | 110 | 108.2 Ų | 108.2 | 58% | 0.576 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 176.4 | -76.7 | 169.6 | 0 | 0 | 0 | 111.8 | M110 A111 E112 E116 L117 V118 | M110-L114 WeakPolarHBondContact O-CG 3.47Å; M110-L114 PolarHBondContact O-N 2.85Å; A111-L114 PolarHBondContact O-N 3.5Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 2.84Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-L117 PolarHBondContact O-N 2.92Å; L114-V118 WeakPolarHBondContact O-CG2 3.18Å; L114-V118 PolarHBondContact O-N 3.2Å |
| 115 | V | 96.5 | Very high | 92.9 | Very high | 103 Ų | 103 | 112.8 Ų | 112.8 | 62% | 0.624 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.4 | -44.9 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | A111 E112 L117 V118 W119 | A111-V115 WeakPolarHBondContact O-CG2 3.28Å; A111-V115 PolarHBondContact O-N 3.35Å; E112-V115 PolarHBondContact O-N 2.89Å; V115-L117 VanDerWaalsContact C-N 3.35Å; V115-L117 PolarHBondContact O-N 3.29Å; V115-V118 PolarHBondContact O-N 3.08Å; V115-W119 WeakPolarHBondContact O-CB 3.25Å; V115-W119 PolarHBondContact O-N 3.42Å |
| 116 | E | 95.4 | Very high | 91.1 | Very high | 117 Ų | 117 | 112 Ų | 112 | 55% | 0.547 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.6 | -39.3 | 178.4 | -165.1 | 179.9 | -178.4 | 0 | 0 | 112 | E112 M113 L114 W119 R120 | E112-E116 PolarHBondContact O-N 2.88Å; M113-E116 PolarHBondContact O-N 3.32Å; L114-E116 VanDerWaalsContact C-N 3.35Å; E116-W119 PolarHBondContact O-N 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.29Å; E116-R120 PolarHBondContact O-N 3.38Å |
| 117 | L | 95.1 | Very high | 89 | Confident | 101 Ų | 101 | 114 Ų | 114 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.7 | -50.4 | 175.3 | -171.2 | 95.7 | 0 | 0 | 0 | 111.4 | M113 L114 V115 W119 R120 I121 | M113-L117 WeakPolarHBondContact O-CB 3.19Å; M113-L117 PolarHBondContact O-N 3.19Å; L114-L117 PolarHBondContact O-N 2.92Å; V115-L117 VanDerWaalsContact C-N 3.35Å; V115-L117 PolarHBondContact O-N 3.29Å; L117-W119 VanDerWaalsContact C-N 3.31Å; L117-W119 PolarHBondContact O-N 3.17Å; L117-R120 PolarHBondContact O-N 3.14Å; L117-I121 HydrophobicContact CD2-CD1 4.06Å; L117-I121 HydrophobicContact CG-CD1 4.09Å; L117-I121 WeakPolarHBondContact O-CG1 3.3Å; L117-I121 PolarHBondContact O-N 3.04Å |
| 118 | V | 94.8 | Very high | 88.6 | Confident | 73 Ų | 73 | 114.4 Ų | 114.4 | 44% | 0.442 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -58.6 | -46.4 | 178.8 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | L114 V115 R120 I121 E122 | L114-V118 WeakPolarHBondContact O-CG2 3.18Å; L114-V118 PolarHBondContact O-N 3.2Å; V115-V118 PolarHBondContact O-N 3.08Å; V118-R120 VanDerWaalsContact C-N 3.31Å; V118-R120 PolarHBondContact O-N 2.93Å; V118-I121 PolarHBondContact O-N 3.04Å; V118-I121 VanDerWaalsContact O-N 3.14Å; V118-E122 HydrophobicContact CG1-CG 4.37Å; V118-E122 WeakPolarHBondContact O-CG 3.21Å; V118-E122 PolarHBondContact O-N 3.42Å |
| 119 | W | 94.4 | Very high | 88.1 | Confident | 147 Ų | 147 | 117.7 Ų | 117.7 | 56% | 0.557 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.8 | -39.8 | 178.2 | -177.2 | 70.3 | 0 | 0 | 0 | 112.9 | V115 E116 L117 R123 | V115-W119 WeakPolarHBondContact O-CB 3.25Å; V115-W119 PolarHBondContact O-N 3.42Å; E116-W119 PolarHBondContact O-N 3.32Å; L117-W119 VanDerWaalsContact C-N 3.31Å; L117-W119 PolarHBondContact O-N 3.17Å; W119-R123 WeakPolarHBondContact O-CB 3.45Å; W119-R123 PolarHBondContact O-N 3.08Å; W119-R123 VanDerWaalsContact O-N 3.13Å |
| 120 | R | 92.7 | Very high | 87.6 | Confident | 168 Ų | 168 | 116.3 Ų | 116.3 | 63% | 0.634 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.7 | -39.9 | 175.6 | -73.3 | 178.8 | 71.3 | 175.3 | 2.8 | 112.3 | E116 L117 V118 R123 S124 | E116-R120 WeakPolarHBondContact O-CG 3.29Å; E116-R120 PolarHBondContact O-N 3.38Å; L117-R120 PolarHBondContact O-N 3.14Å; V118-R120 VanDerWaalsContact C-N 3.31Å; V118-R120 PolarHBondContact O-N 2.93Å; R120-R123 PolarHBondContact O-N 3.31Å; R120-S124 WeakPolarHBondContact O-CB 3.44Å; R120-S124 PolarHBondContact O-N 3.11Å; R120-S124 PolarHBondContact O-OG 2.89Å; R120-S124 VanDerWaalsContact O-OG 3.07Å |
| 121 | I | 93.6 | Very high | 87 | Confident | 73 Ų | 73 | 116.9 Ų | 116.9 | 37% | 0.374 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.2 | -53.2 | 177.2 | -69 | 166.9 | 0 | 0 | 0 | 109.9 | L117 V118 R123 S124 E125 | L117-I121 HydrophobicContact CD2-CD1 4.06Å; L117-I121 HydrophobicContact CG-CD1 4.09Å; L117-I121 WeakPolarHBondContact O-CG1 3.3Å; L117-I121 PolarHBondContact O-N 3.04Å; V118-I121 PolarHBondContact O-N 3.04Å; V118-I121 VanDerWaalsContact O-N 3.14Å; I121-R123 PolarHBondContact O-N 2.74Å; I121-S124 WeakPolarHBondContact CA-OG 3.15Å; I121-S124 CarbonylContact O-C 3.59Å; I121-S124 WeakPolarHBondContact O-CA 3.38Å; I121-S124 PolarHBondContact O-N 3.18Å; I121-S124 PolarHBondContact O-OG 3.35Å; I121-E125 HydrophobicContact CG2-CG 4.24Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.37Å; I121-E125 WeakPolarHBondContact O-CG 3.24Å; I121-E125 PolarHBondContact O-N 3.34Å |
| 122 | E | 88.3 | Confident | 86.4 | Confident | 112 Ų | 112 | 121.1 Ų | 121.1 | 52% | 0.523 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -55.7 | -40.9 | 179.5 | -71 | 177.4 | 165.7 | 0 | 0 | 112 | V118 S126 | V118-E122 HydrophobicContact CG1-CG 4.37Å; V118-E122 WeakPolarHBondContact O-CG 3.21Å; V118-E122 PolarHBondContact O-N 3.42Å; E122-S126 WeakPolarHBondContact O-CB 3.3Å; E122-S126 PolarHBondContact O-N 3.13Å; E122-S126 PolarHBondContact O-OG 3.36Å |
| 123 | R | 85.8 | Confident | 85.8 | Confident | 176 Ų | 176 | 120 Ų | 120 | 66% | 0.664 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.8 | -30.1 | 177.7 | -173 | 172.7 | 151.2 | 101 | 0.7 | 113.1 | W119 R120 I121 | W119-R123 WeakPolarHBondContact O-CB 3.45Å; W119-R123 PolarHBondContact O-N 3.08Å; W119-R123 VanDerWaalsContact O-N 3.13Å; R120-R123 PolarHBondContact O-N 3.31Å; I121-R123 PolarHBondContact O-N 2.74Å |
| 124 | S | 80.3 | Confident | 85.1 | Confident | 76 Ų | 76 | 119.7 Ų | 119.7 | 53% | 0.531 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -80.3 | -26.9 | 175.1 | 59 | 0 | 0 | 0 | 0 | 114 | R120 I121 | R120-S124 WeakPolarHBondContact O-CB 3.44Å; R120-S124 PolarHBondContact O-N 3.11Å; R120-S124 PolarHBondContact O-OG 2.89Å; R120-S124 VanDerWaalsContact O-OG 3.07Å; I121-S124 WeakPolarHBondContact CA-OG 3.15Å; I121-S124 CarbonylContact O-C 3.59Å; I121-S124 WeakPolarHBondContact O-CA 3.38Å; I121-S124 PolarHBondContact O-N 3.18Å; I121-S124 PolarHBondContact O-OG 3.35Å |
| 125 | E | 67.9 | Low | 84.2 | Confident | 151 Ų | 151 | 120.5 Ų | 120.5 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81.9 | -15.9 | 175.1 | -68.9 | -179.1 | 171.5 | 0 | 0 | 112.9 | I121 S127 | I121-E125 HydrophobicContact CG2-CG 4.24Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.37Å; I121-E125 WeakPolarHBondContact O-CG 3.24Å; I121-E125 PolarHBondContact O-N 3.34Å; E125-S127 VanDerWaalsContact C-N 3.35Å |
| 126 | S | 57.5 | Low | 83.2 | Confident | 110 Ų | 110 | 121.9 Ų | 121.9 | 77% | 0.769 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 7.4 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | E122 | E122-S126 WeakPolarHBondContact O-CB 3.3Å; E122-S126 PolarHBondContact O-N 3.13Å; E122-S126 PolarHBondContact O-OG 3.36Å |
| 127 | S | 52.1 | Low | 82 | Confident | 159 Ų | 159 | 122.4 Ų | 122.4 | 100% | 1.112 | 62% | 0.622 | S | S | * | * | trans | -120.9 | 0 | -178.6 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | E125 | E125-S127 VanDerWaalsContact C-N 3.35Š|
Retrieved 127 of 127 residues in 34.8 ms
(Link to these results)