| 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 | 47.3 | Very low | 58.6 | Low | 247 Ų | 247 | 165.6 Ų | 165.6 | 100% | 1.217 | 86% | 0.86 | S | S | * | * | 0 | 121 | 0 | -67.7 | -159.2 | -162.2 | 0 | 0 | 108.1 | |||||
| 2 | R | 55.6 | Low | 58.9 | Low | 238 Ų | 238 | 161.9 Ų | 161.9 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | trans | -119.5 | 132.5 | 165.8 | -74.4 | -168.9 | -179.7 | -174.4 | 1 | 107.1 | L4 | R2-L4 PolarHBondContact O-N 2.9Š| ||
| 3 | P | 55.7 | Low | 59.5 | Low | 120 Ų | 120 | 163.5 Ų | 163.5 | 78% | 0.779 | 85% | 0.853 | S | S | * | * | trans | -67.7 | 129.8 | -177.6 | -9.4 | 25.5 | 0 | 0 | 0 | 108.8 | D5 | P3-D5 PolarHBondContact O-N 3.26Š| ||
| 4 | L | 58.3 | Low | 59.2 | Low | 162 Ų | 162 | 165.1 Ų | 165.1 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | trans | -75.6 | 104.9 | 170 | -66.2 | 169.3 | 0 | 0 | 0 | 106.4 | R2 I6 | R2-L4 PolarHBondContact O-N 2.9Å; L4-I6 PolarHBondContact O-N 3.04Å | ||
| 5 | D | 59 | Low | 59.7 | Low | 162 Ų | 162 | 163.3 Ų | 163.3 | 87% | 0.866 | 85% | 0.853 | S | S | * | * | trans | -62.2 | 105 | 169.5 | -82.6 | -37.3 | 0 | 0 | 0 | 107.9 | P3 | P3-D5 PolarHBondContact O-N 3.26Š| ||
| 6 | I | 56.1 | Low | 59.6 | Low | 151 Ų | 151 | 164.3 Ų | 164.3 | 77% | 0.774 | 85% | 0.852 | S | S | * | * | trans | -76.9 | 150.5 | 166.6 | -63 | 163.4 | 0 | 0 | 0 | 106.3 | L4 | L4-I6 PolarHBondContact O-N 3.04Š| ||
| 7 | V | 59.5 | Low | 59.7 | Low | 117 Ų | 117 | 162.6 Ų | 162.6 | 71% | 0.709 | 85% | 0.85 | S | S | * | * | trans | 102.1 | 65.8 | 174.9 | -164.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 8 | E | 60.3 | Low | 59.5 | Low | 195 Ų | 195 | 162.4 Ų | 162.4 | 91% | 0.911 | 85% | 0.849 | S | S | * | * | trans | -109 | 86.7 | 137.2 | -82.8 | -175.3 | 160.4 | 0 | 0 | 107.1 | ||||
| 9 | L | 60.6 | Low | 59.7 | Low | 148 Ų | 148 | 162.9 Ų | 162.9 | 78% | 0.775 | 85% | 0.847 | S | S | * | * | trans | 25.5 | 99.5 | 140.8 | -65.4 | 157.4 | 0 | 0 | 0 | 114.7 | E11 | L9-E11 PolarHBondContact O-N 2.8Å; L9-E11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | A | 63.4 | Low | 59.6 | Low | 100 Ų | 100 | 160.6 Ų | 160.6 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 117.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 11 | E | 68.7 | Low | 59.9 | Low | 182 Ų | 182 | 161.2 Ų | 161.2 | 85% | 0.85 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 136.1 | 175.6 | -68.6 | -179 | 159.3 | 0 | 0 | 108.9 | L9 | L9-E11 PolarHBondContact O-N 2.8Å; L9-E11 VanDerWaalsContact O-N 3.1Å |
| 12 | P | 61.8 | Low | 60.7 | Low | 121 Ų | 121 | 157.4 Ų | 157.4 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 141.9 | -168.1 | 25 | -33.9 | 0 | 0 | 0 | 112.7 | E14 | P12-E14 PolarHBondContact O-N 3.44Š|
| 13 | E | 66.7 | Low | 61.5 | Low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -45.3 | 126.6 | 173.7 | -171 | 171.3 | -177.1 | 0 | 0 | 111.7 | V15 | E13-V15 PolarHBondContact O-N 3.31Š| ||
| 14 | E | 55.1 | Low | 62.4 | Low | 187 Ų | 187 | 151.2 Ų | 151.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -59.1 | 104.8 | 179.3 | -64 | -176.9 | 170.8 | 0 | 0 | 109.4 | P12 E16 | P12-E14 PolarHBondContact O-N 3.44Å; E14-E16 PolarHBondContact O-N 3.24Å | ||
| 15 | V | 67.5 | Low | 63.5 | Low | 137 Ų | 137 | 150 Ų | 150 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -68.5 | 115.8 | 173 | 174.1 | 0 | 0 | 0 | 0 | 107.8 | E13 V17 | E13-V15 PolarHBondContact O-N 3.31Å; V15-V17 PolarHBondContact O-N 3.22Å | ||
| 16 | E | 58.4 | Low | 64.6 | Low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -51.7 | 129.5 | -178.4 | -66.6 | 179.8 | 158.2 | 0 | 0 | 111.7 | E14 L18 | E14-E16 PolarHBondContact O-N 3.24Å; E16-L18 PolarHBondContact O-N 3.01Å | ||
| 17 | V | 60.6 | Low | 65.9 | Low | 135 Ų | 135 | 149.5 Ų | 149.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -68.2 | 114.5 | 177.2 | -179 | 0 | 0 | 0 | 0 | 108.1 | V15 E19 | V15-V17 PolarHBondContact O-N 3.22Å; V17-E19 PolarHBondContact O-N 3.03Å; V17-E19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | L | 56.4 | Low | 67.2 | Low | 159 Ų | 159 | 147.8 Ų | 147.8 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.7 | 169.6 | -94.8 | 114.9 | 0 | 0 | 0 | 109.1 | E16 | E16-L18 PolarHBondContact O-N 3.01Š|
| 19 | E | 64 | Low | 68.7 | Low | 173 Ų | 173 | 142.5 Ų | 142.5 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 144.9 | 173.2 | -68.8 | -172.9 | 157.6 | 0 | 0 | 110.2 | V17 E21 | V17-E19 PolarHBondContact O-N 3.03Å; V17-E19 VanDerWaalsContact O-N 3.12Å; E19-E21 PolarHBondContact O-N 3.02Å |
| 20 | P | 58.1 | Low | 70.2 | Confident | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.4 | -171.4 | 23.6 | -32.1 | 0 | 0 | 0 | 109.4 | E22 | P20-E22 VanDerWaalsContact C-N 3.3Å; P20-E22 PolarHBondContact O-N 3.42Å |
| 21 | E | 65.1 | Low | 71.6 | Confident | 173 Ų | 173 | 137.8 Ų | 137.8 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | trans | -51.2 | 99.9 | 169.2 | -64.9 | 177.2 | 178.7 | 0 | 0 | 107 | E19 D23 | E19-E21 PolarHBondContact O-N 3.02Å; E21-D23 PolarHBondContact O-N 3.46Å | ||
| 22 | E | 63.7 | Low | 72.8 | Confident | 167 Ų | 167 | 132.5 Ų | 132.5 | 78% | 0.78 | 68% | 0.678 | S | S | * | * | trans | -54.7 | 109.9 | 169 | -72.3 | -177.7 | 159.8 | 0 | 0 | 104.7 | P20 F24 | P20-E22 VanDerWaalsContact C-N 3.3Å; P20-E22 PolarHBondContact O-N 3.42Å; E22-F24 VanDerWaalsContact C-N 3.3Å; E22-F24 WeakPolarHBondContact O-CD2 3.48Å; E22-F24 PolarHBondContact O-N 3.07Å | ||
| 23 | D | 72 | Confident | 74.3 | Confident | 74 Ų | 74 | 130.5 Ų | 130.5 | 40% | 0.396 | 66% | 0.66 | S | S | . | * | trans | -55.1 | 98 | -175.7 | 177.5 | 10.1 | 0 | 0 | 0 | 107.7 | E21 E25 Q26 | E21-D23 PolarHBondContact O-N 3.46Å; D23-E25 PolarHBondContact O-N 3.13Å; D23-E25 VanDerWaalsContact OD1-CB 3.3Å; D23-E25 WeakPolarHBondContact OD1-CB 3.45Å; D23-E25 WeakPolarHBondContact OD1-CG 3.47Å; D23-E25 PolarHBondContact OD1-N 2.99Å; D23-Q26 HydrophobicContact CB-CG 4.43Å; D23-Q26 PolarHBondContact O-N 3.47Å; D23-Q26 PolarHBondContact OD2-NE2 3.24Å | ||
| 24 | F | 76.3 | Confident | 75.6 | Confident | 155 Ų | 155 | 127.7 Ų | 127.7 | 68% | 0.68 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -54.5 | -23.4 | -172.7 | -71.1 | -83.6 | 0 | 0 | 0 | 110.9 | E22 F27 L28 | E22-F24 VanDerWaalsContact C-N 3.3Å; E22-F24 WeakPolarHBondContact O-CD2 3.48Å; E22-F24 PolarHBondContact O-N 3.07Å; F24-F27 PolarHBondContact O-N 3.12Å; F24-L28 VanDerWaalsContact O-CB 3.32Å; F24-L28 WeakPolarHBondContact O-CB 3.49Å; F24-L28 WeakPolarHBondContact O-CG 3.35Å; F24-L28 PolarHBondContact O-N 3.09Å |
| 25 | E | 80.3 | Confident | 77.5 | Confident | 136 Ų | 136 | 124.2 Ų | 124.2 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -58.3 | -45.1 | 172.3 | -57.3 | -171.7 | 177 | 0 | 0 | 111.9 | D23 F27 L28 L29 | D23-E25 PolarHBondContact O-N 3.13Å; D23-E25 VanDerWaalsContact OD1-CB 3.3Å; D23-E25 WeakPolarHBondContact OD1-CB 3.45Å; D23-E25 WeakPolarHBondContact OD1-CG 3.47Å; D23-E25 PolarHBondContact OD1-N 2.99Å; E25-F27 VanDerWaalsContact C-N 3.31Å; E25-F27 PolarHBondContact O-N 2.99Å; E25-L28 PolarHBondContact O-N 3.31Å; E25-L29 WeakPolarHBondContact O-CB 3.44Å; E25-L29 WeakPolarHBondContact O-CD1 3.4Å; E25-L29 WeakPolarHBondContact O-CG 3.32Å; E25-L29 PolarHBondContact O-N 3.29Å |
| 26 | Q | 81.4 | Confident | 78.7 | Confident | 141 Ų | 141 | 125.8 Ų | 125.8 | 66% | 0.659 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.3 | -35.7 | -179.8 | -70 | -178.9 | 55 | 0 | 0 | 112.6 | D23 P30 | D23-Q26 HydrophobicContact CB-CG 4.43Å; D23-Q26 PolarHBondContact O-N 3.47Å; D23-Q26 PolarHBondContact OD2-NE2 3.24Å; Q26-P30 VanDerWaalsContact O-CD 3.27Å; Q26-P30 WeakPolarHBondContact O-CD 3.36Å |
| 27 | F | 83.6 | Confident | 80.4 | Confident | 161 Ų | 161 | 124 Ų | 124 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.2 | -37.8 | 177 | -175.9 | -96.8 | 0 | 0 | 0 | 112.2 | F24 E25 | F24-F27 PolarHBondContact O-N 3.12Å; E25-F27 VanDerWaalsContact C-N 3.31Å; E25-F27 PolarHBondContact O-N 2.99Å |
| 28 | L | 88.5 | Confident | 81.8 | Confident | 82 Ų | 82 | 122.1 Ų | 122.1 | 43% | 0.429 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -85.1 | -26.2 | -176.5 | -65.9 | 175.4 | 0 | 0 | 0 | 113.3 | F24 E25 V31 I32 | F24-L28 VanDerWaalsContact O-CB 3.32Å; F24-L28 WeakPolarHBondContact O-CB 3.49Å; F24-L28 WeakPolarHBondContact O-CG 3.35Å; F24-L28 PolarHBondContact O-N 3.09Å; E25-L28 PolarHBondContact O-N 3.31Å; L28-V31 PolarHBondContact O-N 3.44Å; L28-V31 VanDerWaalsContact O-N 3.07Å; L28-I32 HydrophobicContact CB-CD1 3.94Å; L28-I32 HydrophobicContact CB-CG1 4.47Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.47Å; L28-I32 PolarHBondContact O-N 3.44Å |
| 29 | L | 90.3 | Very high | 83.6 | Confident | 84 Ų | 84 | 119.5 Ų | 119.5 | 44% | 0.44 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -53.2 | -45.9 | -177.5 | -88.9 | 168.3 | 0 | 0 | 0 | 113.4 | E25 V31 I32 N33 | E25-L29 WeakPolarHBondContact O-CB 3.44Å; E25-L29 WeakPolarHBondContact O-CD1 3.4Å; E25-L29 WeakPolarHBondContact O-CG 3.32Å; E25-L29 PolarHBondContact O-N 3.29Å; L29-V31 PolarHBondContact O-N 2.97Å; L29-I32 PolarHBondContact O-N 3.38Å; L29-N33 WeakPolarHBondContact O-CB 3.43Å; L29-N33 VanDerWaalsContact O-CG 3.23Å; L29-N33 PolarHBondContact O-N 3.03Å; L29-N33 PolarHBondContact O-ND2 3.47Å |
| 30 | P | 92.9 | Very high | 84.8 | Confident | 82 Ų | 82 | 113 Ų | 113 | 53% | 0.532 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.8 | -46.5 | 174.5 | -26.1 | 35.3 | 0 | 0 | 0 | 113 | Q26 N33 E34 | Q26-P30 VanDerWaalsContact O-CD 3.27Å; Q26-P30 WeakPolarHBondContact O-CD 3.36Å; P30-N33 PolarHBondContact O-N 3.23Å; P30-E34 PolarHBondContact O-N 3.04Å |
| 31 | V | 93 | Very high | 86.2 | Confident | 67 Ų | 67 | 110.3 Ų | 110.3 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 111 | L28 L29 N33 E34 M35 | L28-V31 PolarHBondContact O-N 3.44Å; L28-V31 VanDerWaalsContact O-N 3.07Å; L29-V31 PolarHBondContact O-N 2.97Å; V31-N33 VanDerWaalsContact C-N 3.3Å; V31-N33 PolarHBondContact O-N 3.46Å; V31-E34 PolarHBondContact O-N 2.99Å; V31-M35 HydrophobicContact CG1-SD 4.34Å; V31-M35 WeakPolarHBondContact O-CG 3.42Å; V31-M35 PolarHBondContact O-N 3.35Å |
| 32 | I | 92.6 | Very high | 87.3 | Confident | 71 Ų | 71 | 106.4 Ų | 106.4 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.9 | -68.5 | 167.4 | 0 | 0 | 0 | 110.5 | L28 L29 R36 | L28-I32 HydrophobicContact CB-CD1 3.94Å; L28-I32 HydrophobicContact CB-CG1 4.47Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.47Å; L28-I32 PolarHBondContact O-N 3.44Å; L29-I32 PolarHBondContact O-N 3.38Å; I32-R36 WeakPolarHBondContact O-CB 3.41Å; I32-R36 VanDerWaalsContact O-CG 3.24Å; I32-R36 WeakPolarHBondContact O-CG 3.37Å; I32-R36 PolarHBondContact O-N 3.23Å |
| 33 | N | 93.9 | Very high | 88.4 | Confident | 79 Ų | 79 | 102.8 Ų | 102.8 | 42% | 0.422 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 177.5 | -74.5 | -28.5 | 0 | 0 | 0 | 111.8 | L29 P30 V31 R36 E37 | L29-N33 WeakPolarHBondContact O-CB 3.43Å; L29-N33 VanDerWaalsContact O-CG 3.23Å; L29-N33 PolarHBondContact O-N 3.03Å; L29-N33 PolarHBondContact O-ND2 3.47Å; P30-N33 PolarHBondContact O-N 3.23Å; V31-N33 VanDerWaalsContact C-N 3.3Å; V31-N33 PolarHBondContact O-N 3.46Å; N33-R36 WeakPolarHBondContact O-CB 3.49Å; N33-R36 PolarHBondContact O-N 2.92Å; N33-E37 WeakPolarHBondContact O-CG 3.23Å; N33-E37 PolarHBondContact O-N 3.4Å |
| 34 | E | 93.6 | Very high | 89.2 | Confident | 123 Ų | 123 | 107.8 Ų | 107.8 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.1 | -49.6 | 174.7 | -175.7 | 175.7 | -167.9 | 0 | 0 | 111.2 | P30 V31 R36 E37 D38 | P30-E34 PolarHBondContact O-N 3.04Å; V31-E34 PolarHBondContact O-N 2.99Å; E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 3.3Å; E34-E37 PolarHBondContact O-N 2.95Å; E34-E37 VanDerWaalsContact O-N 3.1Å; E34-D38 PolarHBondContact O-N 3.39Å |
| 35 | M | 95.1 | Very high | 89.6 | Confident | 113 Ų | 113 | 106.7 Ų | 106.7 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.3 | -36.5 | 176.9 | -70.3 | -178.1 | 73 | 0 | 0 | 112.8 | V31 D38 I39 | V31-M35 HydrophobicContact CG1-SD 4.34Å; V31-M35 WeakPolarHBondContact O-CG 3.42Å; V31-M35 PolarHBondContact O-N 3.35Å; M35-D38 PolarHBondContact O-N 2.96Å; M35-I39 WeakPolarHBondContact O-CD1 3.47Å; M35-I39 VanDerWaalsContact O-CG1 3.22Å; M35-I39 WeakPolarHBondContact O-CG1 3.48Å; M35-I39 PolarHBondContact O-N 3.3Å |
| 36 | R | 93.6 | Very high | 89.8 | Confident | 171 Ų | 171 | 106 Ų | 106 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 176.2 | -78.9 | 173.9 | 175 | -153 | 0.7 | 111.7 | I32 N33 E34 A40 | I32-R36 WeakPolarHBondContact O-CB 3.41Å; I32-R36 VanDerWaalsContact O-CG 3.24Å; I32-R36 WeakPolarHBondContact O-CG 3.37Å; I32-R36 PolarHBondContact O-N 3.23Å; N33-R36 WeakPolarHBondContact O-CB 3.49Å; N33-R36 PolarHBondContact O-N 2.92Å; E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 3.3Å; R36-A40 VanDerWaalsContact O-CB 3.32Å; R36-A40 WeakPolarHBondContact O-CB 3.44Å; R36-A40 PolarHBondContact O-N 3.47Å |
| 37 | E | 92.8 | Very high | 90 | Very high | 142 Ų | 142 | 100.8 Ų | 100.8 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 175.7 | -72.3 | -177.8 | -174.2 | 0 | 0 | 111.4 | N33 E34 A40 S41 | N33-E37 WeakPolarHBondContact O-CG 3.23Å; N33-E37 PolarHBondContact O-N 3.4Å; E34-E37 PolarHBondContact O-N 2.95Å; E34-E37 VanDerWaalsContact O-N 3.1Å; E37-A40 PolarHBondContact O-N 3.46Å; E37-S41 WeakPolarHBondContact O-CB 3.43Å; E37-S41 PolarHBondContact O-N 3.48Å |
| 38 | D | 91.3 | Very high | 90.1 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 175.1 | -79.3 | -13.7 | 0 | 0 | 0 | 111.8 | E34 M35 A40 S41 L42 | E34-D38 PolarHBondContact O-N 3.39Å; M35-D38 PolarHBondContact O-N 2.96Å; D38-A40 VanDerWaalsContact C-N 3.3Å; D38-A40 PolarHBondContact O-N 3.1Å; D38-S41 PolarHBondContact O-N 2.97Å; D38-S41 VanDerWaalsContact O-N 3.16Å; D38-S41 PolarHBondContact O-OG 3.5Å; D38-L42 WeakPolarHBondContact O-CB 3.46Å; D38-L42 PolarHBondContact O-N 2.99Å |
| 39 | I | 92.8 | Very high | 89.9 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 176.8 | -68.7 | 165.3 | 0 | 0 | 0 | 110.7 | M35 S41 T43 | M35-I39 WeakPolarHBondContact O-CD1 3.47Å; M35-I39 VanDerWaalsContact O-CG1 3.22Å; M35-I39 WeakPolarHBondContact O-CG1 3.48Å; M35-I39 PolarHBondContact O-N 3.3Å; I39-S41 VanDerWaalsContact C-N 3.35Å; I39-T43 WeakPolarHBondContact O-CB 3.49Å; I39-T43 PolarHBondContact O-N 3.11Å; I39-T43 PolarHBondContact O-OG1 3.23Å |
| 40 | A | 90.8 | Very high | 89.7 | Confident | 36 Ų | 36 | 103 Ų | 103 | 30% | 0.298 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | R36 E37 D38 R44 | R36-A40 VanDerWaalsContact O-CB 3.32Å; R36-A40 WeakPolarHBondContact O-CB 3.44Å; R36-A40 PolarHBondContact O-N 3.47Å; E37-A40 PolarHBondContact O-N 3.46Å; D38-A40 VanDerWaalsContact C-N 3.3Å; D38-A40 PolarHBondContact O-N 3.1Å; A40-R44 WeakPolarHBondContact O-CB 3.45Å; A40-R44 VanDerWaalsContact O-CG 3.23Å; A40-R44 WeakPolarHBondContact O-CG 3.47Å; A40-R44 PolarHBondContact O-N 3Å |
| 41 | S | 86.8 | Confident | 89.3 | Confident | 60 Ų | 60 | 104.7 Ų | 104.7 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 176.8 | 85.5 | 0 | 0 | 0 | 0 | 111.1 | E37 D38 I39 T43 R44 E45 | E37-S41 WeakPolarHBondContact O-CB 3.43Å; E37-S41 PolarHBondContact O-N 3.48Å; D38-S41 PolarHBondContact O-N 2.97Å; D38-S41 VanDerWaalsContact O-N 3.16Å; D38-S41 PolarHBondContact O-OG 3.5Å; I39-S41 VanDerWaalsContact C-N 3.35Å; S41-T43 VanDerWaalsContact C-N 3.33Å; S41-T43 PolarHBondContact O-N 2.93Å; S41-R44 WeakPolarHBondContact O-CB 3.47Å; S41-R44 PolarHBondContact O-N 3.37Å; S41-E45 WeakPolarHBondContact O-CB 3.3Å; S41-E45 PolarHBondContact O-N 3.36Å |
| 42 | L | 87.6 | Confident | 89.1 | Confident | 92 Ų | 92 | 111 Ų | 111 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 178.7 | -178.6 | 62.9 | 0 | 0 | 0 | 110.9 | D38 E45 H46 | D38-L42 WeakPolarHBondContact O-CB 3.46Å; D38-L42 PolarHBondContact O-N 2.99Å; L42-E45 PolarHBondContact O-N 2.92Å; L42-H46 WeakPolarHBondContact O-CB 3.47Å; L42-H46 PolarHBondContact O-CD2 3.41Å; L42-H46 VanDerWaalsContact O-CD2 3.25Å; L42-H46 PolarHBondContact O-N 3.06Å |
| 43 | T | 88.1 | Confident | 88.9 | Confident | 91 Ų | 91 | 112.4 Ų | 112.4 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | I39 S41 G47 | I39-T43 WeakPolarHBondContact O-CB 3.49Å; I39-T43 PolarHBondContact O-N 3.11Å; I39-T43 PolarHBondContact O-OG1 3.23Å; S41-T43 VanDerWaalsContact C-N 3.33Å; S41-T43 PolarHBondContact O-N 2.93Å; T43-G47 PolarHBondContact O-N 3.48Å |
| 44 | R | 87.8 | Confident | 88.7 | Confident | 178 Ų | 178 | 114.6 Ų | 114.6 | 67% | 0.672 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 176.2 | -75.6 | 170.2 | -178.1 | 161.8 | 2.8 | 111.6 | A40 S41 G47 R48 | A40-R44 WeakPolarHBondContact O-CB 3.45Å; A40-R44 VanDerWaalsContact O-CG 3.23Å; A40-R44 WeakPolarHBondContact O-CG 3.47Å; A40-R44 PolarHBondContact O-N 3Å; S41-R44 WeakPolarHBondContact O-CB 3.47Å; S41-R44 PolarHBondContact O-N 3.37Å; R44-G47 PolarHBondContact O-N 2.91Å; R44-R48 WeakPolarHBondContact O-CG 3.27Å; R44-R48 PolarHBondContact O-N 3.22Å |
| 45 | E | 86.1 | Confident | 88.5 | Confident | 133 Ų | 133 | 111.5 Ų | 111.5 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -47.5 | 177.7 | -173.8 | 174 | -171.7 | 0 | 0 | 111.2 | S41 L42 G47 R48 A49 | S41-E45 WeakPolarHBondContact O-CB 3.3Å; S41-E45 PolarHBondContact O-N 3.36Å; L42-E45 PolarHBondContact O-N 2.92Å; E45-G47 VanDerWaalsContact C-N 3.3Å; E45-G47 PolarHBondContact O-N 3.32Å; E45-R48 PolarHBondContact O-N 3.05Å; E45-R48 VanDerWaalsContact O-N 3.13Å; E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 3.41Å |
| 46 | H | 84.1 | Confident | 88.4 | Confident | 120 Ų | 120 | 112.5 Ų | 112.5 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.5 | -42 | 173.4 | -85.9 | -64 | 0 | 0 | 0 | 112.2 | L42 R48 A49 Y50 | L42-H46 WeakPolarHBondContact O-CB 3.47Å; L42-H46 PolarHBondContact O-CD2 3.41Å; L42-H46 VanDerWaalsContact O-CD2 3.25Å; L42-H46 PolarHBondContact O-N 3.06Å; H46-R48 PolarHBondContact O-N 3.42Å; H46-A49 PolarHBondContact O-N 2.83Å; H46-Y50 VanDerWaalsContact O-CB 3.23Å; H46-Y50 WeakPolarHBondContact O-CB 3.49Å; H46-Y50 PolarHBondContact O-N 3.12Å |
| 47 | G | 85.6 | Confident | 88.5 | Confident | 32 Ų | 32 | 109.8 Ų | 109.8 | 33% | 0.33 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T43 R44 E45 Y50 L51 | T43-G47 PolarHBondContact O-N 3.48Å; R44-G47 PolarHBondContact O-N 2.91Å; E45-G47 VanDerWaalsContact C-N 3.3Å; E45-G47 PolarHBondContact O-N 3.32Å; G47-Y50 PolarHBondContact O-N 2.88Å; G47-L51 VanDerWaalsContact O-CG 3.29Å; G47-L51 WeakPolarHBondContact O-CG 3.32Å; G47-L51 PolarHBondContact O-N 3.36Å |
| 48 | R | 85.5 | Confident | 88.6 | Confident | 193 Ų | 193 | 110.7 Ų | 110.7 | 73% | 0.728 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -44.7 | 176.4 | -73 | 175.3 | -175.5 | -107.7 | 3.2 | 112.1 | R44 E45 H46 L51 R52 | R44-R48 WeakPolarHBondContact O-CG 3.27Å; R44-R48 PolarHBondContact O-N 3.22Å; E45-R48 PolarHBondContact O-N 3.05Å; E45-R48 VanDerWaalsContact O-N 3.13Å; H46-R48 PolarHBondContact O-N 3.42Å; R48-L51 PolarHBondContact O-N 2.74Å; R48-R52 WeakPolarHBondContact O-CB 3.18Å; R48-R52 PolarHBondContact O-N 2.98Å |
| 49 | A | 85 | Confident | 88.8 | Confident | 42 Ų | 42 | 111.7 Ų | 111.7 | 35% | 0.347 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E45 H46 R52 N53 | E45-A49 WeakPolarHBondContact O-CB 3.44Å; E45-A49 PolarHBondContact O-N 3.41Å; H46-A49 PolarHBondContact O-N 2.83Å; A49-R52 PolarHBondContact O-N 3.28Å; A49-N53 WeakPolarHBondContact O-CB 3.38Å; A49-N53 VanDerWaalsContact O-CG 3.3Å; A49-N53 PolarHBondContact O-N 2.73Å; A49-N53 PolarHBondContact O-ND2 3.27Å |
| 50 | Y | 84.6 | Confident | 89.1 | Confident | 140 Ų | 140 | 112 Ų | 112 | 55% | 0.549 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 175.2 | 177.2 | -94.8 | 0 | 0 | 0 | 111.7 | H46 G47 R52 N53 R54 | H46-Y50 VanDerWaalsContact O-CB 3.23Å; H46-Y50 WeakPolarHBondContact O-CB 3.49Å; H46-Y50 PolarHBondContact O-N 3.12Å; G47-Y50 PolarHBondContact O-N 2.88Å; Y50-R52 PolarHBondContact O-N 3.11Å; Y50-N53 PolarHBondContact O-N 3.44Å; Y50-R54 WeakPolarHBondContact O-CB 3.49Å; Y50-R54 PolarHBondContact O-N 3.11Å; Y50-R54 PolarHBondContact OH-NH1 3.38Å |
| 51 | L | 84.6 | Confident | 89.4 | Confident | 116 Ų | 116 | 114.1 Ų | 114.1 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 178.4 | -72 | 172.8 | 0 | 0 | 0 | 112.1 | G47 R48 R54 S55 | G47-L51 VanDerWaalsContact O-CG 3.29Å; G47-L51 WeakPolarHBondContact O-CG 3.32Å; G47-L51 PolarHBondContact O-N 3.36Å; R48-L51 PolarHBondContact O-N 2.74Å; L51-R54 PolarHBondContact O-N 2.83Å; L51-S55 PolarHBondContact O-N 3.39Å |
| 52 | R | 88.2 | Confident | 89.9 | Confident | 199 Ų | 199 | 115.4 Ų | 115.4 | 75% | 0.751 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.8 | -46.6 | 176.9 | -173.8 | 179.8 | -178.1 | -179.6 | 1.2 | 111.7 | R48 A49 Y50 R54 S55 K56 | R48-R52 WeakPolarHBondContact O-CB 3.18Å; R48-R52 PolarHBondContact O-N 2.98Å; A49-R52 PolarHBondContact O-N 3.28Å; Y50-R52 PolarHBondContact O-N 3.11Å; R52-R54 VanDerWaalsContact C-N 3.32Å; R52-R54 PolarHBondContact O-N 3.3Å; R52-S55 PolarHBondContact O-N 2.84Å; R52-K56 PolarHBondContact O-N 3.14Å; R52-K56 VanDerWaalsContact O-N 3.11Å |
| 53 | N | 88.8 | Confident | 90.4 | Very high | 102 Ų | 102 | 116.6 Ų | 116.6 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 178.2 | -72.9 | -16.7 | 0 | 0 | 0 | 111.5 | A49 Y50 K56 L57 | A49-N53 WeakPolarHBondContact O-CB 3.38Å; A49-N53 VanDerWaalsContact O-CG 3.3Å; A49-N53 PolarHBondContact O-N 2.73Å; A49-N53 PolarHBondContact O-ND2 3.27Å; Y50-N53 PolarHBondContact O-N 3.44Å; N53-K56 PolarHBondContact O-N 3.07Å; N53-L57 WeakPolarHBondContact O-CG 3.08Å; N53-L57 PolarHBondContact O-N 2.96Å; N53-L57 VanDerWaalsContact O-N 3.1Å |
| 54 | R | 89.6 | Confident | 90.8 | Very high | 124 Ų | 124 | 117.6 Ų | 117.6 | 47% | 0.468 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.3 | -172.1 | 175 | 176.5 | 120.1 | 1.7 | 111.7 | Y50 L51 R52 K56 L57 W58 | Y50-R54 WeakPolarHBondContact O-CB 3.49Å; Y50-R54 PolarHBondContact O-N 3.11Å; Y50-R54 PolarHBondContact OH-NH1 3.38Å; L51-R54 PolarHBondContact O-N 2.83Å; R52-R54 VanDerWaalsContact C-N 3.32Å; R52-R54 PolarHBondContact O-N 3.3Å; R54-K56 VanDerWaalsContact C-N 3.35Å; R54-K56 PolarHBondContact O-N 2.97Å; R54-L57 PolarHBondContact O-N 3.36Å; R54-W58 VanDerWaalsContact O-CD1 3.23Å; R54-W58 PolarHBondContact O-N 3.07Å; R54-W58 VanDerWaalsContact O-N 3.13Å |
| 55 | S | 90 | Very high | 91.3 | Very high | 59 Ų | 59 | 113.3 Ų | 113.3 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 175.6 | -167.7 | 0 | 0 | 0 | 0 | 111.9 | L51 R52 L57 W58 E59 | L51-S55 PolarHBondContact O-N 3.39Å; R52-S55 PolarHBondContact O-N 2.84Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.16Å; S55-W58 WeakPolarHBondContact O-CB 3.18Å; S55-W58 PolarHBondContact O-N 3.11Å; S55-W58 VanDerWaalsContact O-N 3.13Å; S55-E59 PolarHBondContact O-N 3.06Å; S55-E59 PolarHBondContact OG-OE1 3.25Å |
| 56 | K | 93.2 | Very high | 91.8 | Very high | 133 Ų | 133 | 111.9 Ų | 111.9 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.6 | -38.8 | 178.8 | -169.1 | 175.5 | -178.5 | -178.2 | 0 | 112.5 | R52 N53 R54 E59 M60 | R52-K56 PolarHBondContact O-N 3.14Å; R52-K56 VanDerWaalsContact O-N 3.11Å; N53-K56 PolarHBondContact O-N 3.07Å; R54-K56 VanDerWaalsContact C-N 3.35Å; R54-K56 PolarHBondContact O-N 2.97Å; K56-E59 PolarHBondContact O-N 3.34Å; K56-M60 HydrophobicContact CG-SD 4.37Å; K56-M60 VanDerWaalsContact O-CG 3.28Å; K56-M60 WeakPolarHBondContact O-CG 3.22Å; K56-M60 PolarHBondContact O-N 2.96Å |
| 57 | L | 95.2 | Very high | 92.4 | Very high | 115 Ų | 115 | 110.2 Ų | 110.2 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 175 | -71.8 | 172.9 | 0 | 0 | 0 | 112 | N53 R54 S55 M60 D61 | N53-L57 WeakPolarHBondContact O-CG 3.08Å; N53-L57 PolarHBondContact O-N 2.96Å; N53-L57 VanDerWaalsContact O-N 3.1Å; R54-L57 PolarHBondContact O-N 3.36Å; S55-L57 VanDerWaalsContact C-N 3.32Å; S55-L57 PolarHBondContact O-N 3.16Å; L57-M60 PolarHBondContact O-N 3.49Å; L57-D61 WeakPolarHBondContact O-CB 3.09Å; L57-D61 PolarHBondContact O-N 2.97Å |
| 58 | W | 95.1 | Very high | 93 | Very high | 160 Ų | 160 | 114.6 Ų | 114.6 | 61% | 0.606 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 174.4 | -83.7 | 103.9 | 0 | 0 | 0 | 112.7 | R54 S55 M60 D61 N62 | R54-W58 VanDerWaalsContact O-CD1 3.23Å; R54-W58 PolarHBondContact O-N 3.07Å; R54-W58 VanDerWaalsContact O-N 3.13Å; S55-W58 WeakPolarHBondContact O-CB 3.18Å; S55-W58 PolarHBondContact O-N 3.11Å; S55-W58 VanDerWaalsContact O-N 3.13Å; W58-M60 VanDerWaalsContact C-N 3.34Å; W58-D61 PolarHBondContact O-N 3.23Å; W58-N62 WeakPolarHBondContact O-CB 2.87Å; W58-N62 PolarHBondContact O-N 2.8Å |
| 59 | E | 96.3 | Very high | 93.5 | Very high | 118 Ų | 118 | 109.2 Ų | 109.2 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 175 | -72.3 | 164.3 | -150.3 | 0 | 0 | 111.8 | S55 K56 M63 | S55-E59 PolarHBondContact O-N 3.06Å; S55-E59 PolarHBondContact OG-OE1 3.25Å; K56-E59 PolarHBondContact O-N 3.34Å; E59-M63 WeakPolarHBondContact O-CB 3.45Å; E59-M63 PolarHBondContact O-N 3.37Å |
| 60 | M | 97.7 | Very high | 94.1 | Very high | 110 Ų | 110 | 113.6 Ų | 113.6 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.1 | -71.2 | 171.3 | 62.1 | 0 | 0 | 112.2 | K56 L57 W58 M63 L64 | K56-M60 HydrophobicContact CG-SD 4.37Å; K56-M60 VanDerWaalsContact O-CG 3.28Å; K56-M60 WeakPolarHBondContact O-CG 3.22Å; K56-M60 PolarHBondContact O-N 2.96Å; L57-M60 PolarHBondContact O-N 3.49Å; W58-M60 VanDerWaalsContact C-N 3.34Å; M60-M63 PolarHBondContact O-N 3.36Å; M60-L64 WeakPolarHBondContact O-CB 3.14Å; M60-L64 PolarHBondContact O-N 3.04Å |
| 61 | D | 97 | Very high | 94.6 | Very high | 79 Ų | 79 | 110.3 Ų | 110.3 | 42% | 0.422 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.5 | -168.9 | 58.3 | 0 | 0 | 0 | 111.3 | L57 W58 M63 L64 I65 | L57-D61 WeakPolarHBondContact O-CB 3.09Å; L57-D61 PolarHBondContact O-N 2.97Å; W58-D61 PolarHBondContact O-N 3.23Å; D61-M63 VanDerWaalsContact C-N 3.33Å; D61-M63 PolarHBondContact O-N 3.33Å; D61-L64 WeakPolarHBondContact O-CB 3.4Å; D61-L64 PolarHBondContact O-N 3.45Å; D61-I65 WeakPolarHBondContact O-CG1 3.49Å; D61-I65 PolarHBondContact O-N 2.91Å |
| 62 | N | 97.2 | Very high | 95.1 | Very high | 88 Ų | 88 | 109.2 Ų | 109.2 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 174.9 | -174 | 44.1 | 0 | 0 | 0 | 112.2 | W58 I65 Q66 | W58-N62 WeakPolarHBondContact O-CB 2.87Å; W58-N62 PolarHBondContact O-N 2.8Å; N62-I65 PolarHBondContact O-N 3.4Å; N62-Q66 WeakPolarHBondContact O-CG 3.26Å; N62-Q66 PolarHBondContact O-N 3.42Å; N62-Q66 VanDerWaalsContact O-N 3.11Å |
| 63 | M | 97.8 | Very high | 95.3 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 175.9 | -172.2 | 178.3 | -63.1 | 0 | 0 | 112 | E59 M60 D61 I65 Q66 I67 | E59-M63 WeakPolarHBondContact O-CB 3.45Å; E59-M63 PolarHBondContact O-N 3.37Å; M60-M63 PolarHBondContact O-N 3.36Å; D61-M63 VanDerWaalsContact C-N 3.33Å; D61-M63 PolarHBondContact O-N 3.33Å; M63-I65 VanDerWaalsContact C-N 3.33Å; M63-I65 PolarHBondContact O-N 3.45Å; M63-Q66 PolarHBondContact O-N 3.11Å; M63-I67 HydrophobicContact CG-CD1 4.08Å; M63-I67 WeakPolarHBondContact O-CG1 3.3Å; M63-I67 PolarHBondContact O-N 2.95Å |
| 64 | L | 97.9 | Very high | 95.5 | Very high | 112 Ų | 112 | 101.2 Ų | 101.2 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -41.2 | 177.1 | -176.6 | 63 | 0 | 0 | 0 | 111.4 | M60 D61 I67 K68 | M60-L64 WeakPolarHBondContact O-CB 3.14Å; M60-L64 PolarHBondContact O-N 3.04Å; D61-L64 WeakPolarHBondContact O-CB 3.4Å; D61-L64 PolarHBondContact O-N 3.45Å; L64-I67 PolarHBondContact O-N 3.42Å; L64-K68 VanDerWaalsContact O-CB 3.31Å; L64-K68 WeakPolarHBondContact O-CB 3.38Å; L64-K68 PolarHBondContact O-N 2.88Å |
| 65 | I | 97.2 | Very high | 95.5 | Very high | 89 Ų | 89 | 101 Ų | 101 | 46% | 0.456 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 174.3 | -68.1 | 165.9 | 0 | 0 | 0 | 110.3 | D61 N62 M63 I67 K68 T69 | D61-I65 WeakPolarHBondContact O-CG1 3.49Å; D61-I65 PolarHBondContact O-N 2.91Å; N62-I65 PolarHBondContact O-N 3.4Å; M63-I65 VanDerWaalsContact C-N 3.33Å; M63-I65 PolarHBondContact O-N 3.45Å; I65-I67 PolarHBondContact O-N 2.96Å; I65-K68 PolarHBondContact O-N 3.23Å; I65-T69 PolarHBondContact O-N 3.27Å; I65-T69 PolarHBondContact O-OG1 2.9Å; I65-T69 VanDerWaalsContact O-OG1 3.1Å |
| 66 | Q | 97.6 | Very high | 95.5 | Very high | 102 Ų | 102 | 104.2 Ų | 104.2 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 179.2 | -70.9 | 176.5 | 18.4 | 0 | 0 | 112.6 | N62 M63 K68 T69 Q70 | N62-Q66 WeakPolarHBondContact O-CG 3.26Å; N62-Q66 PolarHBondContact O-N 3.42Å; N62-Q66 VanDerWaalsContact O-N 3.11Å; M63-Q66 PolarHBondContact O-N 3.11Å; Q66-K68 VanDerWaalsContact C-N 3.33Å; Q66-K68 PolarHBondContact O-N 2.84Å; Q66-T69 PolarHBondContact O-N 3.49Å; Q66-Q70 WeakPolarHBondContact O-CG 3.3Å; Q66-Q70 PolarHBondContact O-N 3.2Å |
| 67 | I | 97.2 | Very high | 95.2 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 176.9 | -68.6 | 167.6 | 0 | 0 | 0 | 109.9 | M63 L64 I65 T69 Q70 V71 | M63-I67 HydrophobicContact CG-CD1 4.08Å; M63-I67 WeakPolarHBondContact O-CG1 3.3Å; M63-I67 PolarHBondContact O-N 2.95Å; L64-I67 PolarHBondContact O-N 3.42Å; I65-I67 PolarHBondContact O-N 2.96Å; I67-T69 PolarHBondContact O-N 2.96Å; I67-Q70 PolarHBondContact O-N 2.94Å; I67-V71 HydrophobicContact CG2-CG2 4.23Å; I67-V71 WeakPolarHBondContact O-CB 3.38Å; I67-V71 VanDerWaalsContact O-CG2 3.29Å; I67-V71 WeakPolarHBondContact O-CG2 3.38Å; I67-V71 PolarHBondContact O-N 3.46Å |
| 68 | K | 97.3 | Very high | 94.7 | Very high | 123 Ų | 123 | 97.6 Ų | 97.6 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 177.9 | -178.3 | 175.6 | 171.5 | 179.7 | 0 | 111.3 | L64 I65 Q66 Q70 V71 E72 | L64-K68 VanDerWaalsContact O-CB 3.31Å; L64-K68 WeakPolarHBondContact O-CB 3.38Å; L64-K68 PolarHBondContact O-N 2.88Å; I65-K68 PolarHBondContact O-N 3.23Å; Q66-K68 VanDerWaalsContact C-N 3.33Å; Q66-K68 PolarHBondContact O-N 2.84Å; K68-Q70 VanDerWaalsContact C-N 3.32Å; K68-Q70 PolarHBondContact O-N 3.41Å; K68-V71 PolarHBondContact O-N 2.94Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 HydrophobicContact CG-CG 4.39Å; K68-E72 IonicContact NZ-OE1 3.57Å; K68-E72 WeakPolarHBondContact O-CB 3.33Å; K68-E72 VanDerWaalsContact O-CG 3.31Å; K68-E72 WeakPolarHBondContact O-CG 3.49Å; K68-E72 PolarHBondContact O-N 2.84Å |
| 69 | T | 96.2 | Very high | 94.1 | Very high | 80 Ų | 80 | 95.1 Ų | 95.1 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | I65 Q66 I67 A73 | I65-T69 PolarHBondContact O-N 3.27Å; I65-T69 PolarHBondContact O-OG1 2.9Å; I65-T69 VanDerWaalsContact O-OG1 3.1Å; Q66-T69 PolarHBondContact O-N 3.49Å; I67-T69 PolarHBondContact O-N 2.96Å; T69-A73 VanDerWaalsContact O-CB 3.29Å; T69-A73 WeakPolarHBondContact O-CB 3.35Å; T69-A73 PolarHBondContact O-N 3.43Å |
| 70 | Q | 96.8 | Very high | 93.4 | Very high | 135 Ų | 135 | 92.9 Ų | 92.9 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.1 | -41.3 | 175.5 | -75.1 | 178.6 | -9.9 | 0 | 0 | 112.3 | Q66 I67 K68 S74 | Q66-Q70 WeakPolarHBondContact O-CG 3.3Å; Q66-Q70 PolarHBondContact O-N 3.2Å; I67-Q70 PolarHBondContact O-N 2.94Å; K68-Q70 VanDerWaalsContact C-N 3.32Å; K68-Q70 PolarHBondContact O-N 3.41Å; Q70-S74 VanDerWaalsContact O-CB 3.3Å; Q70-S74 WeakPolarHBondContact O-CB 3.29Å; Q70-S74 PolarHBondContact O-N 3.49Å |
| 71 | V | 96.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 94 Ų | 94 | 42% | 0.424 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 176 | 170 | 0 | 0 | 0 | 0 | 110.1 | I67 K68 A73 S74 E75 | I67-V71 HydrophobicContact CG2-CG2 4.23Å; I67-V71 WeakPolarHBondContact O-CB 3.38Å; I67-V71 VanDerWaalsContact O-CG2 3.29Å; I67-V71 WeakPolarHBondContact O-CG2 3.38Å; I67-V71 PolarHBondContact O-N 3.46Å; K68-V71 PolarHBondContact O-N 2.94Å; V71-A73 VanDerWaalsContact C-N 3.34Å; V71-A73 PolarHBondContact O-N 2.97Å; V71-S74 CarbonylContact O-C 3.6Å; V71-S74 WeakPolarHBondContact O-CB 3.29Å; V71-S74 PolarHBondContact O-N 3.25Å; V71-S74 VanDerWaalsContact O-N 3.11Å; V71-E75 HydrophobicContact CG1-CG 4.31Å; V71-E75 WeakPolarHBondContact O-CB 3.48Å; V71-E75 WeakPolarHBondContact O-CG 3.31Å; V71-E75 PolarHBondContact O-N 3.35Å |
| 72 | E | 95.1 | Very high | 90.6 | Very high | 94 Ų | 94 | 96.4 Ų | 96.4 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 177.2 | -73.4 | 171.6 | 168.3 | 0 | 0 | 111.4 | K68 S74 E75 E76 | K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 HydrophobicContact CG-CG 4.39Å; K68-E72 IonicContact NZ-OE1 3.57Å; K68-E72 WeakPolarHBondContact O-CB 3.33Å; K68-E72 VanDerWaalsContact O-CG 3.31Å; K68-E72 WeakPolarHBondContact O-CG 3.49Å; K68-E72 PolarHBondContact O-N 2.84Å; E72-S74 VanDerWaalsContact C-N 3.34Å; E72-S74 PolarHBondContact O-N 3.48Å; E72-E75 PolarHBondContact O-N 2.91Å; E72-E76 WeakPolarHBondContact O-CB 3.44Å; E72-E76 PolarHBondContact O-N 2.91Å |
| 73 | A | 93 | Very high | 89.1 | Confident | 55 Ų | 55 | 99.8 Ų | 99.8 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T69 V71 S77 | T69-A73 VanDerWaalsContact O-CB 3.29Å; T69-A73 WeakPolarHBondContact O-CB 3.35Å; T69-A73 PolarHBondContact O-N 3.43Å; V71-A73 VanDerWaalsContact C-N 3.34Å; V71-A73 PolarHBondContact O-N 2.97Å; A73-S77 VanDerWaalsContact O-CB 3.3Å; A73-S77 WeakPolarHBondContact O-CB 3.5Å; A73-S77 PolarHBondContact O-N 3.01Å |
| 74 | S | 91.5 | Very high | 87.3 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | Q70 V71 E72 S77 A78 | Q70-S74 VanDerWaalsContact O-CB 3.3Å; Q70-S74 WeakPolarHBondContact O-CB 3.29Å; Q70-S74 PolarHBondContact O-N 3.49Å; V71-S74 CarbonylContact O-C 3.6Å; V71-S74 WeakPolarHBondContact O-CB 3.29Å; V71-S74 PolarHBondContact O-N 3.25Å; V71-S74 VanDerWaalsContact O-N 3.11Å; E72-S74 VanDerWaalsContact C-N 3.34Å; E72-S74 PolarHBondContact O-N 3.48Å; S74-S77 PolarHBondContact O-N 2.93Å; S74-A78 WeakPolarHBondContact O-CB 3.49Å; S74-A78 PolarHBondContact O-N 3.2Å |
| 75 | E | 90 | Very high | 85.3 | Confident | 118 Ų | 118 | 96.4 Ų | 96.4 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | 176 | -74.7 | -179.5 | 178.2 | 0 | 0 | 110.7 | V71 E72 S77 A78 L79 | V71-E75 HydrophobicContact CG1-CG 4.31Å; V71-E75 WeakPolarHBondContact O-CB 3.48Å; V71-E75 WeakPolarHBondContact O-CG 3.31Å; V71-E75 PolarHBondContact O-N 3.35Å; E72-E75 PolarHBondContact O-N 2.91Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-S77 PolarHBondContact O-N 2.98Å; E75-A78 PolarHBondContact O-N 3.4Å; E75-L79 WeakPolarHBondContact O-CG 2.86Å; E75-L79 PolarHBondContact O-N 3.1Å |
| 76 | E | 89.7 | Confident | 83.4 | Confident | 127 Ų | 127 | 93.8 Ų | 93.8 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 175.7 | -172.8 | -179.2 | 174.6 | 0 | 0 | 111.5 | E72 L79 N80 | E72-E76 WeakPolarHBondContact O-CB 3.44Å; E72-E76 PolarHBondContact O-N 2.91Å; E76-L79 PolarHBondContact O-N 3.28Å; E76-N80 WeakPolarHBondContact O-CB 3.38Å; E76-N80 PolarHBondContact O-N 3.28Å; E76-N80 PolarHBondContact O-ND2 3.35Å |
| 77 | S | 86.5 | Confident | 81.5 | Confident | 58 Ų | 58 | 95 Ų | 95 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | A73 S74 E75 L79 N80 H81 | A73-S77 VanDerWaalsContact O-CB 3.3Å; A73-S77 WeakPolarHBondContact O-CB 3.5Å; A73-S77 PolarHBondContact O-N 3.01Å; S74-S77 PolarHBondContact O-N 2.93Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-S77 PolarHBondContact O-N 2.98Å; S77-L79 PolarHBondContact O-N 3.11Å; S77-N80 PolarHBondContact O-N 3.41Å; S77-H81 PolarHBondContact O-N 2.98Å |
| 78 | A | 85.4 | Confident | 79.6 | Confident | 51 Ų | 51 | 93.3 Ų | 93.3 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | S74 E75 H81 L82 | S74-A78 WeakPolarHBondContact O-CB 3.49Å; S74-A78 PolarHBondContact O-N 3.2Å; E75-A78 PolarHBondContact O-N 3.4Å; A78-H81 PolarHBondContact O-N 3.1Å; A78-L82 PolarHBondContact O-N 3.33Å; A78-L82 VanDerWaalsContact O-N 3.16Å |
| 79 | L | 82.7 | Confident | 77.7 | Confident | 109 Ų | 109 | 90.2 Ų | 90.2 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.2 | -40.8 | 176.3 | -69.3 | 176.7 | 0 | 0 | 0 | 112.1 | E75 E76 S77 H81 L82 Q83 | E75-L79 WeakPolarHBondContact O-CG 2.86Å; E75-L79 PolarHBondContact O-N 3.1Å; E76-L79 PolarHBondContact O-N 3.28Å; S77-L79 PolarHBondContact O-N 3.11Å; L79-H81 VanDerWaalsContact C-N 3.27Å; L79-H81 PolarHBondContact O-N 3.37Å; L79-L82 PolarHBondContact O-N 2.95Å; L79-L82 VanDerWaalsContact O-N 3.11Å; L79-Q83 PolarHBondContact O-N 3.4Å |
| 80 | N | 80.8 | Confident | 75.9 | Confident | 70 Ų | 70 | 92.8 Ų | 92.8 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -33.4 | 175.2 | -81.4 | -48.9 | 0 | 0 | 0 | 112.5 | E76 S77 N84 | E76-N80 WeakPolarHBondContact O-CB 3.38Å; E76-N80 PolarHBondContact O-N 3.28Å; E76-N80 PolarHBondContact O-ND2 3.35Å; S77-N80 PolarHBondContact O-N 3.41Å; N80-N84 PolarHBondContact O-N 3.38Å; N80-N84 PolarHBondContact O-ND2 3.36Å |
| 81 | H | 70.9 | Confident | 74.3 | Confident | 135 Ų | 135 | 88.4 Ų | 88.4 | 63% | 0.625 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72 | -29.2 | 173.8 | -74.2 | 3.9 | 0 | 0 | 0 | 113.3 | S77 A78 L79 P85 | S77-H81 PolarHBondContact O-N 2.98Å; A78-H81 PolarHBondContact O-N 3.1Å; L79-H81 VanDerWaalsContact C-N 3.27Å; L79-H81 PolarHBondContact O-N 3.37Å; H81-P85 VanDerWaalsContact O-CD 3.26Å; H81-P85 WeakPolarHBondContact O-CD 3.28Å |
| 82 | L | 66.3 | Low | 72.8 | Confident | 128 Ų | 128 | 92.7 Ų | 92.7 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -78.9 | -19.8 | 174.4 | -77.8 | 169.4 | 0 | 0 | 0 | 114 | A78 L79 P85 | A78-L82 PolarHBondContact O-N 3.33Å; A78-L82 VanDerWaalsContact O-N 3.16Å; L79-L82 PolarHBondContact O-N 2.95Å; L79-L82 VanDerWaalsContact O-N 3.11Å; L82-P85 WeakPolarHBondContact O-CD 3.43Å; L82-P85 WeakPolarHBondContact O-CG 3.31Å |
| 83 | Q | 64.7 | Low | 71.4 | Confident | 159 Ų | 159 | 90.6 Ų | 90.6 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -84.9 | -25.7 | 169.6 | -70.5 | -173.8 | -4.5 | 0 | 0 | 113.3 | L79 P85 | L79-Q83 PolarHBondContact O-N 3.4Å; Q83-P85 WeakPolarHBondContact O-CD 3.41Å |
| 84 | N | 60.4 | Low | 70.4 | Confident | 94 Ų | 94 | 90.8 Ų | 90.8 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -93.7 | 9.5 | 175.5 | -74.1 | -65.4 | 0 | 0 | 0 | 118 | N80 G86 | N80-N84 PolarHBondContact O-N 3.38Å; N80-N84 PolarHBondContact O-ND2 3.36Å; N84-G86 PolarHBondContact O-N 3.13Å |
| 85 | P | 56.4 | Low | 69.6 | Low | 64 Ų | 64 | 94.6 Ų | 94.6 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.4 | -21.3 | 180 | 31.9 | -31 | 0 | 0 | 0 | 110.8 | H81 L82 Q83 A89 | H81-P85 VanDerWaalsContact O-CD 3.26Å; H81-P85 WeakPolarHBondContact O-CD 3.28Å; L82-P85 WeakPolarHBondContact O-CD 3.43Å; L82-P85 WeakPolarHBondContact O-CG 3.31Å; Q83-P85 WeakPolarHBondContact O-CD 3.41Å; P85-A89 WeakPolarHBondContact O-CB 3.5Å; P85-A89 PolarHBondContact O-N 3.13Å |
| 86 | G | 57.3 | Low | 68.9 | Low | 33 Ų | 33 | 98 Ų | 98 | 34% | 0.34 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -53.9 | -61.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N84 A88 E90 | N84-G86 PolarHBondContact O-N 3.13Å; G86-A88 PolarHBondContact O-N 2.97Å; G86-E90 WeakPolarHBondContact O-CA 3.34Å; G86-E90 WeakPolarHBondContact O-CB 3.36Å; G86-E90 VanDerWaalsContact O-CG 3.22Å; G86-E90 WeakPolarHBondContact O-CG 3.46Å; G86-E90 PolarHBondContact O-N 3.46Å |
| 87 | D | 56.7 | Low | 68.3 | Low | 128 Ų | 128 | 96 Ų | 96 | 68% | 0.684 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.3 | -36.7 | -174.1 | -77.5 | -20.8 | 0 | 0 | 0 | 113.6 | G91 | D87-G91 PolarHBondContact O-N 3.32Å |
| 88 | A | 57.5 | Low | 68.1 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -78.7 | -31.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G86 R92 | G86-A88 PolarHBondContact O-N 2.97Å; A88-R92 WeakPolarHBondContact O-CG 3.45Å; A88-R92 PolarHBondContact O-NH1 3.45Å |
| 89 | A | 58.6 | Low | 68.1 | Low | 58 Ų | 58 | 103.9 Ų | 103.9 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -85.4 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P85 R92 A93 | P85-A89 WeakPolarHBondContact O-CB 3.5Å; P85-A89 PolarHBondContact O-N 3.13Å; A89-R92 PolarHBondContact O-N 3.11Å; A89-A93 WeakPolarHBondContact O-CB 3.42Å; A89-A93 PolarHBondContact O-N 3.34Å |
| 90 | E | 58.2 | Low | 68.2 | Low | 133 Ų | 133 | 101.5 Ų | 101.5 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 175.8 | -70.1 | -176 | 172.3 | 0 | 0 | 111 | G86 R92 A93 A94 | G86-E90 WeakPolarHBondContact O-CA 3.34Å; G86-E90 WeakPolarHBondContact O-CB 3.36Å; G86-E90 VanDerWaalsContact O-CG 3.22Å; G86-E90 WeakPolarHBondContact O-CG 3.46Å; G86-E90 PolarHBondContact O-N 3.46Å; E90-R92 VanDerWaalsContact C-N 3.27Å; E90-R92 PolarHBondContact O-N 2.97Å; E90-A93 PolarHBondContact O-N 2.91Å; E90-A93 VanDerWaalsContact O-N 3.14Å; E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 3.45Å |
| 91 | G | 61.4 | Low | 68.5 | Low | 43 Ų | 43 | 103.4 Ų | 103.4 | 44% | 0.443 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.9 | -37.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D87 K95 | D87-G91 PolarHBondContact O-N 3.32Å; G91-K95 WeakPolarHBondContact O-CB 3.36Å; G91-K95 PolarHBondContact O-N 2.83Å; G91-K95 VanDerWaalsContact O-N 3.11Å |
| 92 | R | 64.8 | Low | 69.3 | Low | 161 Ų | 161 | 103.1 Ų | 103.1 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.1 | -38.1 | 174.9 | -76.8 | -171.8 | -172.1 | 97.8 | -8.1 | 112.7 | A88 A89 E90 R96 | A88-R92 WeakPolarHBondContact O-CG 3.45Å; A88-R92 PolarHBondContact O-NH1 3.45Å; A89-R92 PolarHBondContact O-N 3.11Å; E90-R92 VanDerWaalsContact C-N 3.27Å; E90-R92 PolarHBondContact O-N 2.97Å; R92-R96 WeakPolarHBondContact O-CB 3.23Å; R92-R96 VanDerWaalsContact O-CG 3.3Å; R92-R96 WeakPolarHBondContact O-CG 3.49Å; R92-R96 PolarHBondContact O-N 3.37Å; R92-R96 VanDerWaalsContact O-N 3.11Å |
| 93 | A | 67.3 | Low | 70.5 | Confident | 49 Ų | 49 | 102.9 Ų | 102.9 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.2 | -48.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A89 E90 K95 R96 C97 | A89-A93 WeakPolarHBondContact O-CB 3.42Å; A89-A93 PolarHBondContact O-N 3.34Å; E90-A93 PolarHBondContact O-N 2.91Å; E90-A93 VanDerWaalsContact O-N 3.14Å; A93-K95 PolarHBondContact O-N 3.48Å; A93-R96 CarbonylContact O-C 3.58Å; A93-R96 WeakPolarHBondContact O-CA 3.42Å; A93-R96 WeakPolarHBondContact O-CB 3.5Å; A93-R96 PolarHBondContact O-N 2.82Å; A93-C97 PolarHBondContact O-N 3.39Å; A93-C97 PolarHBondContact O-SG 3.37Å; A93-C97 VanDerWaalsContact O-SG 3.41Å |
| 94 | A | 71.9 | Confident | 71.8 | Confident | 60 Ų | 60 | 98 Ų | 98 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E90 R96 C97 E98 | E90-A94 WeakPolarHBondContact O-CB 3.44Å; E90-A94 PolarHBondContact O-N 3.45Å; A94-R96 VanDerWaalsContact C-N 3.26Å; A94-R96 PolarHBondContact O-N 2.97Å; A94-C97 PolarHBondContact O-N 3.13Å; A94-C97 VanDerWaalsContact O-N 3.12Å; A94-E98 WeakPolarHBondContact O-CB 3.45Å; A94-E98 PolarHBondContact O-N 2.95Å |
| 95 | K | 74.7 | Confident | 73.3 | Confident | 158 Ų | 158 | 99.1 Ų | 99.1 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -31.2 | 176.4 | -169.7 | 171.9 | -171.6 | 170.9 | 0 | 113.1 | G91 A93 K99 | G91-K95 WeakPolarHBondContact O-CB 3.36Å; G91-K95 PolarHBondContact O-N 2.83Å; G91-K95 VanDerWaalsContact O-N 3.11Å; A93-K95 PolarHBondContact O-N 3.48Å; K95-K99 WeakPolarHBondContact O-CB 3.33Å; K95-K99 PolarHBondContact O-N 3.48Å |
| 96 | R | 75.5 | Confident | 75.1 | Confident | 188 Ų | 188 | 101.7 Ų | 101.7 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.1 | -40 | 173.3 | -78 | 176.7 | 178.1 | 158.9 | -0.8 | 111.9 | R92 A93 A94 A100 | R92-R96 WeakPolarHBondContact O-CB 3.23Å; R92-R96 VanDerWaalsContact O-CG 3.3Å; R92-R96 WeakPolarHBondContact O-CG 3.49Å; R92-R96 PolarHBondContact O-N 3.37Å; R92-R96 VanDerWaalsContact O-N 3.11Å; A93-R96 CarbonylContact O-C 3.58Å; A93-R96 WeakPolarHBondContact O-CA 3.42Å; A93-R96 WeakPolarHBondContact O-CB 3.5Å; A93-R96 PolarHBondContact O-N 2.82Å; A94-R96 VanDerWaalsContact C-N 3.26Å; A94-R96 PolarHBondContact O-N 2.97Å; R96-A100 PolarHBondContact O-N 3.38Å |
| 97 | C | 76.7 | Confident | 76.9 | Confident | 86 Ų | 86 | 105.2 Ų | 105.2 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.3 | -46.9 | 176.8 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | A93 A94 K99 A100 E101 | A93-C97 PolarHBondContact O-N 3.39Å; A93-C97 PolarHBondContact O-SG 3.37Å; A93-C97 VanDerWaalsContact O-SG 3.41Å; A94-C97 PolarHBondContact O-N 3.13Å; A94-C97 VanDerWaalsContact O-N 3.12Å; C97-K99 VanDerWaalsContact C-N 3.31Å; C97-K99 PolarHBondContact O-N 3.38Å; C97-A100 WeakPolarHBondContact O-CB 3.29Å; C97-A100 PolarHBondContact O-N 2.95Å; C97-E101 PolarHBondContact O-N 3.22Å |
| 98 | E | 81.4 | Confident | 78.8 | Confident | 134 Ų | 134 | 101.5 Ų | 101.5 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.2 | -44.2 | 177.8 | -172.1 | 177.8 | -160.4 | 0 | 0 | 111.4 | A94 A100 E101 E102 | A94-E98 WeakPolarHBondContact O-CB 3.45Å; A94-E98 PolarHBondContact O-N 2.95Å; E98-A100 VanDerWaalsContact C-N 3.33Å; E98-A100 PolarHBondContact O-N 2.98Å; E98-E101 PolarHBondContact O-N 2.9Å; E98-E102 PolarHBondContact O-N 2.88Å |
| 99 | K | 84.9 | Confident | 80.6 | Confident | 140 Ų | 140 | 105.9 Ų | 105.9 | 61% | 0.609 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.3 | -33.6 | 175.9 | -169.9 | 171.9 | -174.5 | 173.5 | 0 | 113.2 | K95 C97 K103 | K95-K99 WeakPolarHBondContact O-CB 3.33Å; K95-K99 PolarHBondContact O-N 3.48Å; C97-K99 VanDerWaalsContact C-N 3.31Å; C97-K99 PolarHBondContact O-N 3.38Å; K99-K103 WeakPolarHBondContact O-CG 3.42Å; K99-K103 PolarHBondContact O-N 3.37Å |
| 100 | A | 86.5 | Confident | 82.4 | Confident | 60 Ų | 60 | 108.4 Ų | 108.4 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.8 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R96 C97 E98 K103 A104 | R96-A100 PolarHBondContact O-N 3.38Å; C97-A100 WeakPolarHBondContact O-CB 3.29Å; C97-A100 PolarHBondContact O-N 2.95Å; E98-A100 VanDerWaalsContact C-N 3.33Å; E98-A100 PolarHBondContact O-N 2.98Å; A100-K103 PolarHBondContact O-N 3.25Å; A100-A104 PolarHBondContact O-N 3.17Å |
| 101 | E | 86.5 | Confident | 84.1 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 178.8 | -156.6 | -168.8 | 141.9 | 0 | 0 | 112.3 | C97 E98 K103 A104 K105 | C97-E101 PolarHBondContact O-N 3.22Å; E98-E101 PolarHBondContact O-N 2.9Å; E101-K103 PolarHBondContact O-N 2.78Å; E101-A104 PolarHBondContact O-N 2.98Å; E101-K105 WeakPolarHBondContact O-CG 3.32Å; E101-K105 PolarHBondContact O-N 3.48Å; E101-K105 VanDerWaalsContact OE1-CE 3.27Å; E101-K105 WeakPolarHBondContact OE1-CE 3.48Å; E101-K105 IonicContact OE1-NZ 3.93Å; E101-K105 PolarHBondContact OE1-NZ 2.91Å |
| 102 | E | 88 | Confident | 85.7 | Confident | 128 Ų | 128 | 109 Ų | 109 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.7 | -46.2 | 171.7 | -89.2 | -162 | 138.3 | 0 | 0 | 111.8 | E98 A104 K105 E106 | E98-E102 PolarHBondContact O-N 2.88Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 3.41Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-K105 VanDerWaalsContact O-N 3.11Å; E102-E106 PolarHBondContact O-N 3.39Å |
| 103 | K | 90.9 | Very high | 87.2 | Confident | 124 Ų | 124 | 108 Ų | 108 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.3 | -39.7 | 176.2 | -78.4 | -168.9 | 173.7 | -165.8 | 0 | 112.3 | K99 A100 E101 K105 E106 I107 | K99-K103 WeakPolarHBondContact O-CG 3.42Å; K99-K103 PolarHBondContact O-N 3.37Å; A100-K103 PolarHBondContact O-N 3.25Å; E101-K103 PolarHBondContact O-N 2.78Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 3.38Å; K103-E106 PolarHBondContact O-N 2.85Å; K103-I107 WeakPolarHBondContact O-CB 3.32Å; K103-I107 WeakPolarHBondContact O-CD1 3.45Å; K103-I107 VanDerWaalsContact O-CG1 3.23Å; K103-I107 WeakPolarHBondContact O-CG1 3.33Å; K103-I107 PolarHBondContact O-N 3.16Å |
| 104 | A | 91.5 | Very high | 88.5 | Confident | 57 Ų | 57 | 111 Ų | 111 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.2 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A100 E101 E102 I107 A108 | A100-A104 PolarHBondContact O-N 3.17Å; E101-A104 PolarHBondContact O-N 2.98Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 3.41Å; A104-I107 PolarHBondContact O-N 3.48Å; A104-A108 WeakPolarHBondContact O-CB 3.22Å; A104-A108 PolarHBondContact O-N 2.74Å |
| 105 | K | 93.2 | Very high | 89.6 | Confident | 116 Ų | 116 | 112.9 Ų | 112.9 | 50% | 0.504 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -39.7 | 175.6 | -71.4 | 170.8 | -175.2 | 163.1 | 0 | 112.3 | E101 E102 K103 A108 K109 | E101-K105 WeakPolarHBondContact O-CG 3.32Å; E101-K105 PolarHBondContact O-N 3.48Å; E101-K105 VanDerWaalsContact OE1-CE 3.27Å; E101-K105 WeakPolarHBondContact OE1-CE 3.48Å; E101-K105 IonicContact OE1-NZ 3.93Å; E101-K105 PolarHBondContact OE1-NZ 2.91Å; E102-K105 WeakPolarHBondContact O-CB 3.42Å; E102-K105 PolarHBondContact O-N 2.94Å; E102-K105 VanDerWaalsContact O-N 3.11Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 3.38Å; K105-A108 PolarHBondContact O-N 2.93Å; K105-K109 WeakPolarHBondContact O-CG 3.42Å; K105-K109 PolarHBondContact O-N 3.1Å; K105-K109 VanDerWaalsContact O-N 3.1Å |
| 106 | E | 94 | Very high | 90.6 | Very high | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.3 | -44.3 | 174 | -71.3 | -177.5 | 163 | 0 | 0 | 111.9 | E102 K103 A108 K109 M110 | E102-E106 PolarHBondContact O-N 3.39Å; K103-E106 PolarHBondContact O-N 2.85Å; E106-A108 VanDerWaalsContact C-N 3.34Å; E106-A108 PolarHBondContact O-N 2.97Å; E106-K109 PolarHBondContact O-N 3.24Å; E106-M110 WeakPolarHBondContact O-CG 3.23Å; E106-M110 PolarHBondContact O-N 3Å |
| 107 | I | 95.5 | Very high | 91.5 | Very high | 107 Ų | 107 | 105 Ų | 105 | 55% | 0.549 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 177.2 | -69.3 | 166.2 | 0 | 0 | 0 | 110.9 | K103 A104 M110 A111 | K103-I107 WeakPolarHBondContact O-CB 3.32Å; K103-I107 WeakPolarHBondContact O-CD1 3.45Å; K103-I107 VanDerWaalsContact O-CG1 3.23Å; K103-I107 WeakPolarHBondContact O-CG1 3.33Å; K103-I107 PolarHBondContact O-N 3.16Å; A104-I107 PolarHBondContact O-N 3.48Å; I107-M110 HydrophobicContact CG1-CE 4.09Å; I107-M110 PolarHBondContact O-N 2.93Å; I107-A111 WeakPolarHBondContact O-CB 3.4Å; I107-A111 PolarHBondContact O-N 3.35Å |
| 108 | A | 95 | Very high | 92.3 | Very high | 51 Ų | 51 | 104.7 Ų | 104.7 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A104 K105 E106 M110 A111 E112 | A104-A108 WeakPolarHBondContact O-CB 3.22Å; A104-A108 PolarHBondContact O-N 2.74Å; K105-A108 PolarHBondContact O-N 2.93Å; E106-A108 VanDerWaalsContact C-N 3.34Å; E106-A108 PolarHBondContact O-N 2.97Å; A108-M110 PolarHBondContact O-N 2.79Å; A108-A111 PolarHBondContact O-N 3.43Å; A108-E112 PolarHBondContact O-N 2.96Å |
| 109 | K | 96.1 | Very high | 92.9 | Very high | 143 Ų | 143 | 105 Ų | 105 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 175.2 | -74.5 | 178 | -179.6 | 176.8 | 0 | 112.4 | K105 E106 A111 E112 M113 | K105-K109 WeakPolarHBondContact O-CG 3.42Å; K105-K109 PolarHBondContact O-N 3.1Å; K105-K109 VanDerWaalsContact O-N 3.1Å; E106-K109 PolarHBondContact O-N 3.24Å; K109-A111 VanDerWaalsContact C-N 3.33Å; K109-E112 PolarHBondContact O-N 3.2Å; K109-M113 WeakPolarHBondContact O-CG 3.47Å; K109-M113 PolarHBondContact O-N 3Å |
| 110 | M | 96.4 | Very high | 93.3 | Very high | 110 Ų | 110 | 105.5 Ų | 105.5 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.2 | -73.8 | -172.3 | -72.2 | 0 | 0 | 111.7 | E106 I107 A108 M113 L114 | E106-M110 WeakPolarHBondContact O-CG 3.23Å; E106-M110 PolarHBondContact O-N 3Å; I107-M110 HydrophobicContact CG1-CE 4.09Å; I107-M110 PolarHBondContact O-N 2.93Å; A108-M110 PolarHBondContact O-N 2.79Å; M110-M113 PolarHBondContact O-N 3.27Å; M110-L114 WeakPolarHBondContact O-CG 3.24Å; M110-L114 PolarHBondContact O-N 3.27Å |
| 111 | A | 94.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 106.4 Ų | 106.4 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I107 A108 K109 M113 L114 V115 | I107-A111 WeakPolarHBondContact O-CB 3.4Å; I107-A111 PolarHBondContact O-N 3.35Å; A108-A111 PolarHBondContact O-N 3.43Å; K109-A111 VanDerWaalsContact C-N 3.33Å; A111-M113 VanDerWaalsContact C-N 3.34Å; A111-M113 PolarHBondContact O-N 3.48Å; A111-L114 PolarHBondContact O-N 2.98Å; A111-V115 WeakPolarHBondContact O-CG2 3.44Å; A111-V115 PolarHBondContact O-N 3.27Å |
| 112 | E | 94.9 | Very high | 93.6 | Very high | 139 Ų | 139 | 106.6 Ų | 106.6 | 65% | 0.65 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.4 | -43.8 | 175.3 | -75.7 | -179.8 | 175.3 | 0 | 0 | 112.1 | A108 K109 L114 V115 E116 | A108-E112 PolarHBondContact O-N 2.96Å; K109-E112 PolarHBondContact O-N 3.2Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 2.92Å; E112-V115 PolarHBondContact O-N 3.19Å; E112-E116 PolarHBondContact O-N 3.37Å |
| 113 | M | 95.5 | Very high | 93.6 | Very high | 141 Ų | 141 | 106.4 Ų | 106.4 | 70% | 0.695 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 176.7 | -75.8 | -176.9 | 57.3 | 0 | 0 | 112.7 | K109 M110 A111 E116 L117 | K109-M113 WeakPolarHBondContact O-CG 3.47Å; K109-M113 PolarHBondContact O-N 3Å; M110-M113 PolarHBondContact O-N 3.27Å; A111-M113 VanDerWaalsContact C-N 3.34Å; A111-M113 PolarHBondContact O-N 3.48Å; M113-E116 PolarHBondContact O-N 3.07Å; M113-L117 WeakPolarHBondContact O-CB 3.2Å; M113-L117 PolarHBondContact O-N 2.99Å |
| 114 | L | 95.3 | Very high | 93.2 | Very high | 111 Ų | 111 | 104.7 Ų | 104.7 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 176.8 | -74.5 | 170.7 | 0 | 0 | 0 | 111.7 | M110 A111 E112 E116 L117 V118 | M110-L114 WeakPolarHBondContact O-CG 3.24Å; M110-L114 PolarHBondContact O-N 3.27Å; A111-L114 PolarHBondContact O-N 2.98Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 2.92Å; L114-E116 VanDerWaalsContact C-N 3.33Å; L114-E116 PolarHBondContact O-N 3.4Å; L114-L117 PolarHBondContact O-N 2.83Å; L114-V118 WeakPolarHBondContact O-CG2 3.32Å; L114-V118 PolarHBondContact O-N 3.36Å |
| 115 | V | 95.2 | Very high | 92.5 | Very high | 101 Ų | 101 | 109.3 Ų | 109.3 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | A111 E112 V118 R119 | A111-V115 WeakPolarHBondContact O-CG2 3.44Å; A111-V115 PolarHBondContact O-N 3.27Å; E112-V115 PolarHBondContact O-N 3.19Å; V115-V118 PolarHBondContact O-N 2.79Å; V115-R119 WeakPolarHBondContact O-CB 3.3Å; V115-R119 PolarHBondContact O-N 3.38Å |
| 116 | E | 95.2 | Very high | 91.1 | Very high | 82 Ų | 82 | 108.8 Ų | 108.8 | 38% | 0.383 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.7 | -37 | 178.7 | -174.5 | 61.2 | -160.6 | 0 | 0 | 112.1 | E112 M113 L114 R119 R120 | E112-E116 PolarHBondContact O-N 3.37Å; M113-E116 PolarHBondContact O-N 3.07Å; L114-E116 VanDerWaalsContact C-N 3.33Å; L114-E116 PolarHBondContact O-N 3.4Å; E116-R119 PolarHBondContact O-N 2.76Å; E116-R120 VanDerWaalsContact O-CG 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.27Å; E116-R120 PolarHBondContact O-N 2.72Å; E116-R120 VanDerWaalsContact O-N 3.09Å; E116-R120 IonicContact OE1-CZ 3.35Å; E116-R120 IonicContact OE1-NE 3.87Å; E116-R120 PolarHBondContact OE1-NE 2.94Å; E116-R120 IonicContact OE1-NH2 2.74Å |
| 117 | L | 94.8 | Very high | 89.3 | Confident | 98 Ų | 98 | 111 Ų | 111 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.6 | -47.8 | 175.9 | -176.9 | 65.3 | 0 | 0 | 0 | 111.7 | M113 L114 R119 R120 I121 | M113-L117 WeakPolarHBondContact O-CB 3.2Å; M113-L117 PolarHBondContact O-N 2.99Å; L114-L117 PolarHBondContact O-N 2.83Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 2.88Å; L117-R120 PolarHBondContact O-N 3.49Å; L117-R120 VanDerWaalsContact O-N 3.12Å; L117-I121 HydrophobicContact CG-CD1 4.25Å; L117-I121 WeakPolarHBondContact O-CG1 3.19Å; L117-I121 PolarHBondContact O-N 3.21Å; L117-I121 VanDerWaalsContact O-N 3.07Å |
| 118 | V | 93.5 | Very high | 89 | Confident | 79 Ų | 79 | 111.2 Ų | 111.2 | 48% | 0.479 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.6 | -45.1 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | L114 V115 R120 I121 E122 | L114-V118 WeakPolarHBondContact O-CG2 3.32Å; L114-V118 PolarHBondContact O-N 3.36Å; V115-V118 PolarHBondContact O-N 2.79Å; V118-R120 PolarHBondContact O-N 2.8Å; V118-I121 PolarHBondContact O-N 2.91Å; V118-I121 VanDerWaalsContact O-N 3.13Å; V118-E122 WeakPolarHBondContact O-CG 3.47Å; V118-E122 PolarHBondContact O-N 3.28Å |
| 119 | R | 92.8 | Very high | 88.7 | Confident | 141 Ų | 141 | 114.3 Ų | 114.3 | 53% | 0.532 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.6 | -32.1 | 177.7 | -171.6 | 176.1 | -172.8 | 159.6 | 2.7 | 113.3 | V115 E116 L117 K123 | V115-R119 WeakPolarHBondContact O-CB 3.3Å; V115-R119 PolarHBondContact O-N 3.38Å; E116-R119 PolarHBondContact O-N 2.76Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 2.88Å; R119-K123 WeakPolarHBondContact O-CG 3.07Å; R119-K123 PolarHBondContact O-N 2.97Å |
| 120 | R | 92.8 | Very high | 88.3 | Confident | 151 Ų | 151 | 112.7 Ų | 112.7 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.6 | -41 | 176 | -72.6 | 172.7 | -173.6 | -159.8 | 3.2 | 111.6 | E116 L117 V118 K123 S124 | E116-R120 VanDerWaalsContact O-CG 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.27Å; E116-R120 PolarHBondContact O-N 2.72Å; E116-R120 VanDerWaalsContact O-N 3.09Å; E116-R120 IonicContact OE1-CZ 3.35Å; E116-R120 IonicContact OE1-NE 3.87Å; E116-R120 PolarHBondContact OE1-NE 2.94Å; E116-R120 IonicContact OE1-NH2 2.74Å; L117-R120 PolarHBondContact O-N 3.49Å; L117-R120 VanDerWaalsContact O-N 3.12Å; V118-R120 PolarHBondContact O-N 2.8Å; R120-K123 PolarHBondContact O-N 3.47Å; R120-S124 PolarHBondContact O-N 3.12Å; R120-S124 PolarHBondContact O-OG 3.19Å |
| 121 | I | 92.7 | Very high | 87.8 | Confident | 79 Ų | 79 | 112.9 Ų | 112.9 | 41% | 0.405 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.7 | -48.8 | 177.1 | -66.4 | 166.6 | 0 | 0 | 0 | 110.3 | L117 V118 K123 S124 E125 | L117-I121 HydrophobicContact CG-CD1 4.25Å; L117-I121 WeakPolarHBondContact O-CG1 3.19Å; L117-I121 PolarHBondContact O-N 3.21Å; L117-I121 VanDerWaalsContact O-N 3.07Å; V118-I121 PolarHBondContact O-N 2.91Å; V118-I121 VanDerWaalsContact O-N 3.13Å; I121-K123 VanDerWaalsContact C-N 3.26Å; I121-K123 PolarHBondContact O-N 3.1Å; I121-S124 PolarHBondContact O-N 3.41Å; I121-E125 HydrophobicContact CG2-CG 4.25Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.5Å; I121-E125 WeakPolarHBondContact O-CG 3.3Å; I121-E125 PolarHBondContact O-N 3.05Å |
| 122 | E | 87.9 | Confident | 87.4 | Confident | 114 Ų | 114 | 116.9 Ų | 116.9 | 53% | 0.533 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -57.9 | -37.8 | 178.7 | -69.5 | 177 | 158.3 | 0 | 0 | 112.8 | V118 S126 | V118-E122 WeakPolarHBondContact O-CG 3.47Å; V118-E122 PolarHBondContact O-N 3.28Å; E122-S126 WeakPolarHBondContact O-CB 3.37Å; E122-S126 PolarHBondContact O-N 3.44Å; E122-S126 PolarHBondContact O-OG 3.25Å |
| 123 | K | 87 | Confident | 86.9 | Confident | 123 Ų | 123 | 115.4 Ų | 115.4 | 54% | 0.535 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.7 | -36.9 | 175.8 | -74.4 | 175.1 | -178.9 | 177.4 | 0 | 112.5 | R119 R120 I121 | R119-K123 WeakPolarHBondContact O-CG 3.07Å; R119-K123 PolarHBondContact O-N 2.97Å; R120-K123 PolarHBondContact O-N 3.47Å; I121-K123 VanDerWaalsContact C-N 3.26Å; I121-K123 PolarHBondContact O-N 3.1Å |
| 124 | S | 83.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 113.6 Ų | 113.6 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.2 | -31.1 | 178.6 | -67.3 | 0 | 0 | 0 | 0 | 113 | R120 I121 S126 | R120-S124 PolarHBondContact O-N 3.12Å; R120-S124 PolarHBondContact O-OG 3.19Å; I121-S124 PolarHBondContact O-N 3.41Å; S124-S126 VanDerWaalsContact C-N 3.33Å |
| 125 | E | 77.1 | Confident | 85.5 | Confident | 154 Ų | 154 | 113.8 Ų | 113.8 | 72% | 0.72 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -78.6 | -19 | 175.8 | -69.2 | 179.2 | 171.2 | 0 | 0 | 113 | I121 | I121-E125 HydrophobicContact CG2-CG 4.25Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.5Å; I121-E125 WeakPolarHBondContact O-CG 3.3Å; I121-E125 PolarHBondContact O-N 3.05Å |
| 126 | S | 64.5 | Low | 84.7 | Confident | 105 Ų | 105 | 114.8 Ų | 114.8 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 0.1 | 177.3 | -58 | 0 | 0 | 0 | 0 | 114.1 | E122 S124 | E122-S126 WeakPolarHBondContact O-CB 3.37Å; E122-S126 PolarHBondContact O-N 3.44Å; E122-S126 PolarHBondContact O-OG 3.25Å; S124-S126 VanDerWaalsContact C-N 3.33Å |
| 127 | S | 55.5 | Low | 83.8 | Confident | 163 Ų | 163 | 117.8 Ų | 117.8 | 100% | 1.14 | 62% | 0.617 | S | S | * | * | trans | -109.7 | 0 | 175.1 | -66.8 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 127 of 127 residues in 64.6 ms
(Link to these results)