| 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 | 36.9 | Very low | 37.3 | Very low | 230 Ų | 230 | 144.2 Ų | 144.2 | 100% | 1.133 | 80% | 0.803 | S | S | * | * | 0 | 94.6 | 0 | -69.7 | 179 | 174.5 | 0 | 0 | 104.4 | |||||
| 2 | E | 40.4 | Very low | 37.4 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | 62.1 | 110.8 | 96.3 | -81.9 | -175.7 | -172.5 | 0 | 0 | 107.6 | |||||
| 3 | E | 40.1 | Very low | 37.5 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | cis | -169.5 | 143.1 | 46.1 | -106.2 | 163 | -172.3 | 0 | 0 | 106.5 | ||||
| 4 | S | 41.2 | Very low | 37.4 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 66.5 | 132.9 | 91.5 | -146.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 5 | S | 39.6 | Very low | 37.5 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | cis | 164.3 | 162.1 | 7.6 | 39.7 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 6 | G | 37.4 | Very low | 37.3 | Very low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 107.7 | 94.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 7 | Q | 35.4 | Very low | 37.3 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | cis | 57.4 | 94.4 | 40 | -146.4 | 176.9 | 2.2 | 0 | 0 | 112 | ||||
| 8 | S | 39.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -167.1 | 91.9 | 147.5 | 56.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 9 | D | 33.7 | Very low | 37.1 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | 35.2 | 110.4 | 86.5 | -86.2 | -18.7 | 0 | 0 | 0 | 112.4 | |||||
| 10 | K | 34.7 | Very low | 37.2 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | trans | 146 | 97 | 134 | -79.8 | 166.6 | -170.5 | -175.6 | 0 | 111.4 | ||||
| 11 | T | 31.4 | Very low | 37.2 | Very low | 146 Ų | 146 | 137 Ų | 137 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | -119.1 | 93.8 | 129.9 | 50.8 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 12 | P | 39 | Very low | 37.5 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 57% | 0.565 | 77% | 0.765 | S | S | * | * | trans | -83.5 | 166.9 | 175 | 37.2 | -30.8 | 0 | 0 | 0 | 109.4 | ||||
| 13 | Y | 37.9 | Very low | 37.5 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | 77.2 | 83.7 | 170.3 | -71.6 | -83.6 | 0 | 0 | 0 | 116 | N15 | Y13-N15 PolarHBondContact O-N 3.43Å; Y13-N15 VanDerWaalsContact O-N 3.11Å | ||
| 14 | A | 35.9 | Very low | 37.8 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | -39.1 | 108.1 | 125.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | E16 | A14-E16 PolarHBondContact O-N 3.34Š| |||
| 15 | N | 39.7 | Very low | 37.8 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -75.4 | 101.4 | 159.6 | -97.5 | -14.3 | 0 | 0 | 0 | 106.5 | Y13 A17 | Y13-N15 PolarHBondContact O-N 3.43Å; Y13-N15 VanDerWaalsContact O-N 3.11Å; N15-A17 VanDerWaalsContact C-N 3.26Å; N15-A17 PolarHBondContact O-N 2.78Å | ||
| 16 | E | 34.5 | Very low | 38.2 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -56.1 | 91.5 | 157.8 | -63.4 | 176.7 | 173.1 | 0 | 0 | 108.2 | A14 S18 | A14-E16 PolarHBondContact O-N 3.34Å; E16-S18 PolarHBondContact O-N 3.33Å | ||
| 17 | A | 37 | Very low | 38.6 | Very low | 102 Ų | 102 | 149 Ų | 149 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -83.8 | 75 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | N15 | N15-A17 VanDerWaalsContact C-N 3.26Å; N15-A17 PolarHBondContact O-N 2.78Å | ||
| 18 | S | 34.6 | Very low | 38.9 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | -68.6 | 132 | 160.5 | -171 | 0 | 0 | 0 | 0 | 108.3 | E16 | E16-S18 PolarHBondContact O-N 3.33Š| ||
| 19 | E | 35.7 | Very low | 39.3 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 60.8 | 91.5 | 154.5 | -69.1 | 170.7 | 157.4 | 0 | 0 | 116.4 | ||||
| 20 | N | 39.4 | Very low | 40 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | -151.1 | 112.7 | 101.7 | -82 | -44.4 | 0 | 0 | 0 | 107.8 | E22 | N20-E22 PolarHBondContact O-N 3.17Š| |||
| 21 | G | 38.2 | Very low | 40.8 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -67 | 60.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E23 | G21-E23 PolarHBondContact O-N 2.97Š| ||
| 22 | E | 43 | Very low | 42.1 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -65.2 | 97.7 | 152.3 | -76 | -166.8 | 156.5 | 0 | 0 | 104.7 | N20 V24 | N20-E22 PolarHBondContact O-N 3.17Å; E22-V24 VanDerWaalsContact C-N 3.25Å; E22-V24 PolarHBondContact O-N 3.41Å | ||
| 23 | E | 39.6 | Very low | 43.4 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -37.7 | 102.8 | 155.3 | -70.1 | -176.4 | 150.4 | 0 | 0 | 106.4 | G21 R25 | G21-E23 PolarHBondContact O-N 2.97Å; E23-R25 PolarHBondContact O-N 3.42Å | ||
| 24 | V | 46.5 | Very low | 45.4 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | -68.2 | 78.8 | 165.6 | 179.8 | 0 | 0 | 0 | 0 | 103.7 | E22 F26 | E22-V24 VanDerWaalsContact C-N 3.25Å; E22-V24 PolarHBondContact O-N 3.41Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 2.95Å | ||
| 25 | R | 41.7 | Very low | 47.6 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -59.9 | 104.6 | 168.7 | -159.6 | 178 | -171.2 | -177.7 | 4.8 | 102.3 | E23 R27 | E23-R25 PolarHBondContact O-N 3.42Å; R25-R27 PolarHBondContact O-N 3.45Å | ||
| 26 | F | 47.7 | Very low | 49.9 | Very low | 182 Ų | 182 | 129.4 Ų | 129.4 | 80% | 0.798 | 69% | 0.693 | S | S | * | * | trans | -60.6 | 77.2 | 172.2 | -130.5 | -92.8 | 0 | 0 | 0 | 106.2 | V24 G28 V29 | V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 2.95Å; F26-G28 PolarHBondContact O-N 3.38Å; F26-V29 HydrophobicContact CE1-CG2 4.44Å | ||
| 27 | R | 46.7 | Very low | 52.3 | Low | 231 Ų | 231 | 123.7 Ų | 123.7 | 87% | 0.872 | 68% | 0.677 | S | S | * | * | trans | -78.5 | 86.6 | -175.5 | -170.9 | -178.4 | -154.2 | -178.1 | 6.5 | 104.5 | R25 V29 | R25-R27 PolarHBondContact O-N 3.45Å; R27-V29 PolarHBondContact O-N 3.1Å | ||
| 28 | G | 41.7 | Very low | 54.6 | Low | 60 Ų | 60 | 123.1 Ų | 123.1 | 62% | 0.619 | 66% | 0.663 | S | S | * | * | trans | 18.7 | 87.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F26 Q30 | F26-G28 PolarHBondContact O-N 3.38Å; G28-Q30 VanDerWaalsContact C-N 3.33Å; G28-Q30 PolarHBondContact O-N 2.97Å | ||
| 29 | V | 46.1 | Very low | 57.2 | Low | 71 Ų | 71 | 125.5 Ų | 125.5 | 43% | 0.43 | 66% | 0.659 | S | S | . | * | trans | -45.7 | 111.3 | 158.9 | 175.1 | 0 | 0 | 0 | 0 | 105.3 | F26 R27 N31 | F26-V29 HydrophobicContact CE1-CG2 4.44Å; R27-V29 PolarHBondContact O-N 3.1Å; V29-N31 VanDerWaalsContact C-N 3.28Å; V29-N31 PolarHBondContact O-N 3.33Å; V29-N31 PolarHBondContact O-OD1 3.48Å; V29-N31 VanDerWaalsContact O-OD1 3.14Å | ||
| 30 | Q | 49 | Very low | 59.6 | Low | 175 Ų | 175 | 126.4 Ų | 126.4 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | trans | -56.6 | 105.7 | 161.3 | -68.1 | 175.6 | -11.6 | 0 | 0 | 104.4 | G28 G32 | G28-Q30 VanDerWaalsContact C-N 3.33Å; G28-Q30 PolarHBondContact O-N 2.97Å; Q30-G32 PolarHBondContact O-N 3.22Å | ||
| 31 | N | 51.9 | Low | 61.9 | Low | 160 Ų | 160 | 121.1 Ų | 121.1 | 86% | 0.856 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 25.3 | -154.4 | -90.6 | -21.4 | 0 | 0 | 0 | 117.3 | V29 | V29-N31 VanDerWaalsContact C-N 3.28Å; V29-N31 PolarHBondContact O-N 3.33Å; V29-N31 PolarHBondContact O-OD1 3.48Å; V29-N31 VanDerWaalsContact O-OD1 3.14Å |
| 32 | G | 59 | Low | 64.2 | Low | 32 Ų | 32 | 122.6 Ų | 122.6 | 33% | 0.33 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.2 | -53.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q30 D36 | Q30-G32 PolarHBondContact O-N 3.22Å; G32-D36 PolarHBondContact O-N 3.32Å |
| 33 | N | 66.2 | Low | 66.2 | Low | 132 Ų | 132 | 117.9 Ų | 117.9 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.3 | -34.8 | -161.3 | -63.4 | -6.3 | 0 | 0 | 0 | 114 | D36 A37 | N33-D36 PolarHBondContact O-N 3.1Å; N33-A37 PolarHBondContact O-N 3.49Å |
| 34 | G | 78.8 | Confident | 68.4 | Low | 34 Ų | 34 | 113.3 Ų | 113.3 | 35% | 0.351 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.8 | -39.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A37 V38 | G34-A37 PolarHBondContact O-N 3Å; G34-V38 WeakPolarHBondContact O-CG2 3.5Å; G34-V38 PolarHBondContact O-N 3.07Å |
| 35 | F | 82.6 | Confident | 70.2 | Confident | 145 Ų | 145 | 111.5 Ų | 111.5 | 64% | 0.636 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.5 | -40.5 | 175.3 | -175.8 | -97.8 | 0 | 0 | 0 | 111.4 | A37 V38 R39 | F35-A37 PolarHBondContact O-N 3.43Å; F35-V38 PolarHBondContact O-N 3.41Å; F35-R39 VanDerWaalsContact O-CB 3.27Å; F35-R39 WeakPolarHBondContact O-CB 3.47Å; F35-R39 PolarHBondContact O-N 3.23Å |
| 36 | D | 88.1 | Confident | 72.3 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 29% | 0.289 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.5 | -38.9 | 174.4 | -81.1 | -38.7 | 0 | 0 | 0 | 112.9 | G32 N33 R39 R40 | G32-D36 PolarHBondContact O-N 3.32Å; N33-D36 PolarHBondContact O-N 3.1Å; D36-R39 PolarHBondContact O-N 3.04Å; D36-R39 IonicContact OD1-CZ 3.95Å; D36-R39 IonicContact OD1-NE 2.61Å; D36-R39 IonicContact OD1-NH2 3.31Å; D36-R39 PolarHBondContact OD1-NH2 3.21Å; D36-R40 WeakPolarHBondContact O-CB 3.35Å; D36-R40 VanDerWaalsContact O-CG 3.29Å; D36-R40 WeakPolarHBondContact O-CG 3.28Å; D36-R40 PolarHBondContact O-N 2.95Å |
| 37 | A | 84.9 | Confident | 74 | Confident | 64 Ų | 64 | 100.8 Ų | 100.8 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N33 G34 F35 R40 G41 | N33-A37 PolarHBondContact O-N 3.49Å; G34-A37 PolarHBondContact O-N 3Å; F35-A37 PolarHBondContact O-N 3.43Å; A37-R40 PolarHBondContact O-N 3.31Å; A37-G41 PolarHBondContact O-N 2.96Å |
| 38 | V | 86.2 | Confident | 75.8 | Confident | 89 Ų | 89 | 92.4 Ų | 92.4 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | G34 F35 R40 G41 L42 | G34-V38 WeakPolarHBondContact O-CG2 3.5Å; G34-V38 PolarHBondContact O-N 3.07Å; F35-V38 PolarHBondContact O-N 3.41Å; V38-R40 PolarHBondContact O-N 3.26Å; V38-G41 PolarHBondContact O-N 3.08Å; V38-G41 VanDerWaalsContact O-N 3.17Å; V38-L42 HydrophobicContact CG1-CD1 4.12Å; V38-L42 HydrophobicContact CG1-CG 4.48Å; V38-L42 PolarHBondContact O-N 2.94Å |
| 39 | R | 88.5 | Confident | 78 | Confident | 137 Ų | 137 | 94.5 Ų | 94.5 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 177.5 | -177.4 | 174.3 | 63.3 | 143.5 | -3.4 | 111.3 | F35 D36 G41 L42 T43 | F35-R39 VanDerWaalsContact O-CB 3.27Å; F35-R39 WeakPolarHBondContact O-CB 3.47Å; F35-R39 PolarHBondContact O-N 3.23Å; D36-R39 PolarHBondContact O-N 3.04Å; D36-R39 IonicContact OD1-CZ 3.95Å; D36-R39 IonicContact OD1-NE 2.61Å; D36-R39 IonicContact OD1-NH2 3.31Å; D36-R39 PolarHBondContact OD1-NH2 3.21Å; R39-G41 VanDerWaalsContact C-N 3.32Å; R39-G41 PolarHBondContact O-N 3Å; R39-L42 PolarHBondContact O-N 3.23Å; R39-T43 PolarHBondContact O-N 3.41Å; R39-T43 PolarHBondContact O-OG1 2.95Å |
| 40 | R | 86.3 | Confident | 80 | Confident | 181 Ų | 181 | 96.4 Ų | 96.4 | 68% | 0.683 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 174.9 | -74.9 | 177.6 | -173.9 | -176.7 | 3 | 112 | D36 A37 V38 T43 T44 | D36-R40 WeakPolarHBondContact O-CB 3.35Å; D36-R40 VanDerWaalsContact O-CG 3.29Å; D36-R40 WeakPolarHBondContact O-CG 3.28Å; D36-R40 PolarHBondContact O-N 2.95Å; A37-R40 PolarHBondContact O-N 3.31Å; V38-R40 PolarHBondContact O-N 3.26Å; R40-T43 PolarHBondContact O-N 3.47Å; R40-T44 WeakPolarHBondContact O-CB 3.49Å; R40-T44 PolarHBondContact O-N 2.92Å; R40-T44 PolarHBondContact O-OG1 2.88Å |
| 41 | G | 86.8 | Confident | 82 | Confident | 40 Ų | 40 | 94.9 Ų | 94.9 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A37 V38 R39 T44 L45 | A37-G41 PolarHBondContact O-N 2.96Å; V38-G41 PolarHBondContact O-N 3.08Å; V38-G41 VanDerWaalsContact O-N 3.17Å; R39-G41 VanDerWaalsContact C-N 3.32Å; R39-G41 PolarHBondContact O-N 3Å; G41-T44 PolarHBondContact O-N 3.26Å; G41-L45 WeakPolarHBondContact O-CB 3.39Å; G41-L45 PolarHBondContact O-N 3.39Å |
| 42 | L | 86.2 | Confident | 83.8 | Confident | 112 Ų | 112 | 93.8 Ų | 93.8 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 175.7 | -73.1 | 173.1 | 0 | 0 | 0 | 112.5 | V38 R39 L45 A46 | V38-L42 HydrophobicContact CG1-CD1 4.12Å; V38-L42 HydrophobicContact CG1-CG 4.48Å; V38-L42 PolarHBondContact O-N 2.94Å; R39-L42 PolarHBondContact O-N 3.23Å; L42-L45 PolarHBondContact O-N 3.09Å; L42-A46 WeakPolarHBondContact O-CB 3.32Å; L42-A46 PolarHBondContact O-N 3.47Å |
| 43 | T | 86.1 | Confident | 85.3 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.3 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | R39 R40 A46 E47 | R39-T43 PolarHBondContact O-N 3.41Å; R39-T43 PolarHBondContact O-OG1 2.95Å; R40-T43 PolarHBondContact O-N 3.47Å; T43-A46 PolarHBondContact O-N 2.92Å; T43-E47 WeakPolarHBondContact O-CB 3.46Å; T43-E47 WeakPolarHBondContact O-CG 3.49Å; T43-E47 PolarHBondContact O-N 2.96Å |
| 44 | T | 86.3 | Confident | 86.6 | Confident | 79 Ų | 79 | 94.2 Ų | 94.2 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | R40 G41 A46 E47 T48 | R40-T44 WeakPolarHBondContact O-CB 3.49Å; R40-T44 PolarHBondContact O-N 2.92Å; R40-T44 PolarHBondContact O-OG1 2.88Å; G41-T44 PolarHBondContact O-N 3.26Å; T44-A46 PolarHBondContact O-N 3.37Å; T44-E47 PolarHBondContact O-N 2.92Å; T44-T48 WeakPolarHBondContact O-CG2 3.46Å; T44-T48 PolarHBondContact O-N 3.16Å; T44-T48 PolarHBondContact O-OG1 3.35Å |
| 45 | L | 83.4 | Confident | 87.3 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.9 | -176.9 | 67.5 | 0 | 0 | 0 | 111.6 | G41 L42 E47 T48 E49 | G41-L45 WeakPolarHBondContact O-CB 3.39Å; G41-L45 PolarHBondContact O-N 3.39Å; L42-L45 PolarHBondContact O-N 3.09Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-E47 PolarHBondContact O-N 3.38Å; L45-T48 WeakPolarHBondContact CA-OG1 3.39Å; L45-T48 PolarHBondContact O-N 3.14Å; L45-T48 PolarHBondContact O-OG1 3.48Å; L45-E49 HydrophobicContact CD1-CG 4.42Å; L45-E49 HydrophobicContact CG-CG 4.47Å; L45-E49 WeakPolarHBondContact O-CB 3.46Å; L45-E49 WeakPolarHBondContact O-CG 3.26Å; L45-E49 PolarHBondContact O-N 3.17Å |
| 46 | A | 85 | Confident | 87.9 | Confident | 43 Ų | 43 | 93.5 Ų | 93.5 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L42 T43 T44 I50 | L42-A46 WeakPolarHBondContact O-CB 3.32Å; L42-A46 PolarHBondContact O-N 3.47Å; T43-A46 PolarHBondContact O-N 2.92Å; T44-A46 PolarHBondContact O-N 3.37Å; A46-I50 VanDerWaalsContact O-CB 3.3Å; A46-I50 WeakPolarHBondContact O-CB 3.45Å; A46-I50 VanDerWaalsContact O-CD1 3.27Å; A46-I50 WeakPolarHBondContact O-CD1 3.33Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 3.46Å |
| 47 | E | 83.2 | Confident | 88.2 | Confident | 121 Ų | 121 | 95 Ų | 95 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 175.6 | -74.2 | 171.5 | -178.9 | 0 | 0 | 111.8 | T43 T44 L45 I50 E51 | T43-E47 WeakPolarHBondContact O-CB 3.46Å; T43-E47 WeakPolarHBondContact O-CG 3.49Å; T43-E47 PolarHBondContact O-N 2.96Å; T44-E47 PolarHBondContact O-N 2.92Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-E47 PolarHBondContact O-N 3.38Å; E47-I50 PolarHBondContact O-N 3.37Å; E47-E51 WeakPolarHBondContact O-CB 3.25Å; E47-E51 PolarHBondContact O-N 3.4Å |
| 48 | T | 86.1 | Confident | 88.7 | Confident | 56 Ų | 56 | 99.9 Ų | 99.9 | 34% | 0.344 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 178 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | T44 L45 I50 E51 E52 | T44-T48 WeakPolarHBondContact O-CG2 3.46Å; T44-T48 PolarHBondContact O-N 3.16Å; T44-T48 PolarHBondContact O-OG1 3.35Å; L45-T48 WeakPolarHBondContact CA-OG1 3.39Å; L45-T48 PolarHBondContact O-N 3.14Å; L45-T48 PolarHBondContact O-OG1 3.48Å; T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 2.96Å; T48-E51 PolarHBondContact O-N 3.4Å; T48-E52 WeakPolarHBondContact O-CB 3.47Å; T48-E52 WeakPolarHBondContact O-CG 3.39Å; T48-E52 PolarHBondContact O-N 2.95Å |
| 49 | E | 86.4 | Confident | 89.2 | Confident | 103 Ų | 103 | 101.7 Ų | 101.7 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.3 | -76.1 | -179.7 | 179.1 | 0 | 0 | 111.1 | L45 N53 | L45-E49 HydrophobicContact CD1-CG 4.42Å; L45-E49 HydrophobicContact CG-CG 4.47Å; L45-E49 WeakPolarHBondContact O-CB 3.46Å; L45-E49 WeakPolarHBondContact O-CG 3.26Å; L45-E49 PolarHBondContact O-N 3.17Å; E49-N53 VanDerWaalsContact O-CB 3.27Å; E49-N53 WeakPolarHBondContact O-CB 3.46Å; E49-N53 PolarHBondContact O-N 2.94Å; E49-N53 PolarHBondContact O-ND2 3.37Å |
| 50 | I | 89.5 | Confident | 89.6 | Confident | 112 Ų | 112 | 99 Ų | 99 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 175.4 | -70.7 | 164.9 | 0 | 0 | 0 | 110.6 | A46 E47 T48 L54 | A46-I50 VanDerWaalsContact O-CB 3.3Å; A46-I50 WeakPolarHBondContact O-CB 3.45Å; A46-I50 VanDerWaalsContact O-CD1 3.27Å; A46-I50 WeakPolarHBondContact O-CD1 3.33Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 3.46Å; E47-I50 PolarHBondContact O-N 3.37Å; T48-I50 VanDerWaalsContact C-N 3.34Å; T48-I50 PolarHBondContact O-N 2.96Å; I50-L54 VanDerWaalsContact O-CB 3.28Å; I50-L54 WeakPolarHBondContact O-CB 3.4Å; I50-L54 PolarHBondContact O-N 2.9Å |
| 51 | E | 90.6 | Very high | 90.1 | Very high | 142 Ų | 142 | 94.5 Ų | 94.5 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.5 | -42.5 | -179.9 | -172.5 | 170.7 | -163.9 | 0 | 0 | 112.3 | E47 T48 L54 S55 | E47-E51 WeakPolarHBondContact O-CB 3.25Å; E47-E51 PolarHBondContact O-N 3.4Å; T48-E51 PolarHBondContact O-N 3.4Å; E51-L54 PolarHBondContact O-N 3.42Å; E51-S55 WeakPolarHBondContact O-CB 3.33Å; E51-S55 PolarHBondContact O-N 3.27Å |
| 52 | E | 90.5 | Very high | 90.6 | Very high | 137 Ų | 137 | 95.2 Ų | 95.2 | 64% | 0.64 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -48 | 175 | -74.7 | -179.4 | -179.3 | 0 | 0 | 111.5 | T48 L54 S55 E56 | T48-E52 WeakPolarHBondContact O-CB 3.47Å; T48-E52 WeakPolarHBondContact O-CG 3.39Å; T48-E52 PolarHBondContact O-N 2.95Å; E52-L54 VanDerWaalsContact C-N 3.33Å; E52-L54 PolarHBondContact O-N 2.95Å; E52-S55 WeakPolarHBondContact O-CB 3.39Å; E52-S55 PolarHBondContact O-N 2.89Å; E52-E56 PolarHBondContact O-N 2.91Å |
| 53 | N | 90.7 | Very high | 91.2 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 176.4 | -73.5 | -34.8 | 0 | 0 | 0 | 111.7 | E49 S55 E56 I57 | E49-N53 VanDerWaalsContact O-CB 3.27Å; E49-N53 WeakPolarHBondContact O-CB 3.46Å; E49-N53 PolarHBondContact O-N 2.94Å; E49-N53 PolarHBondContact O-ND2 3.37Å; N53-S55 VanDerWaalsContact C-N 3.33Å; N53-S55 PolarHBondContact O-N 3.47Å; N53-E56 PolarHBondContact O-N 3.42Å; N53-I57 VanDerWaalsContact O-CG1 3.25Å; N53-I57 WeakPolarHBondContact O-CG1 3.4Å; N53-I57 PolarHBondContact O-N 3.29Å |
| 54 | L | 93.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 96 Ų | 96 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 177.7 | -169.1 | 71.7 | 0 | 0 | 0 | 111.8 | I50 E51 E52 R58 | I50-L54 VanDerWaalsContact O-CB 3.28Å; I50-L54 WeakPolarHBondContact O-CB 3.4Å; I50-L54 PolarHBondContact O-N 2.9Å; E51-L54 PolarHBondContact O-N 3.42Å; E52-L54 VanDerWaalsContact C-N 3.33Å; E52-L54 PolarHBondContact O-N 2.95Å; L54-R58 WeakPolarHBondContact O-CG 3.45Å; L54-R58 PolarHBondContact O-N 2.91Å; L54-R58 VanDerWaalsContact O-N 3.09Å |
| 55 | S | 93.5 | Very high | 92.3 | Very high | 53 Ų | 53 | 97 Ų | 97 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 174 | -175 | 0 | 0 | 0 | 0 | 111.5 | E51 E52 N53 R58 K59 | E51-S55 WeakPolarHBondContact O-CB 3.33Å; E51-S55 PolarHBondContact O-N 3.27Å; E52-S55 WeakPolarHBondContact O-CB 3.39Å; E52-S55 PolarHBondContact O-N 2.89Å; N53-S55 VanDerWaalsContact C-N 3.33Å; N53-S55 PolarHBondContact O-N 3.47Å; S55-R58 PolarHBondContact O-N 3.37Å; S55-K59 WeakPolarHBondContact O-CG 3.49Å; S55-K59 PolarHBondContact O-N 3.32Å; S55-K59 VanDerWaalsContact O-N 3.09Å |
| 56 | E | 94.1 | Very high | 93 | Very high | 111 Ų | 111 | 98.5 Ų | 98.5 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 175 | -174.3 | 168 | -169.5 | 0 | 0 | 112.2 | E52 N53 R58 K59 L60 | E52-E56 PolarHBondContact O-N 2.91Å; N53-E56 PolarHBondContact O-N 3.42Å; E56-R58 VanDerWaalsContact C-N 3.3Å; E56-R58 PolarHBondContact O-N 2.89Å; E56-K59 WeakPolarHBondContact O-CB 3.31Å; E56-K59 PolarHBondContact O-N 2.88Å; E56-L60 HydrophobicContact CG-CD1 4.28Å; E56-L60 HydrophobicContact CG-CG 4.45Å; E56-L60 WeakPolarHBondContact O-CG 3.48Å; E56-L60 PolarHBondContact O-N 2.96Å |
| 57 | I | 94.8 | Very high | 93.6 | Very high | 87 Ų | 87 | 101.5 Ų | 101.5 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.1 | -46.9 | 174.5 | -70.5 | 164.8 | 0 | 0 | 0 | 110.6 | N53 K59 L60 D61 | N53-I57 VanDerWaalsContact O-CG1 3.25Å; N53-I57 WeakPolarHBondContact O-CG1 3.4Å; N53-I57 PolarHBondContact O-N 3.29Å; I57-K59 VanDerWaalsContact C-N 3.3Å; I57-K59 PolarHBondContact O-N 3.23Å; I57-L60 PolarHBondContact O-N 3.31Å; I57-L60 VanDerWaalsContact O-N 3.14Å; I57-D61 PolarHBondContact O-N 3.27Å |
| 58 | R | 95.5 | Very high | 94.3 | Very high | 166 Ų | 166 | 99.9 Ų | 99.9 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | 177.5 | -70.9 | 174.5 | -172.6 | 178.1 | 4.7 | 113.1 | L54 S55 E56 S62 | L54-R58 WeakPolarHBondContact O-CG 3.45Å; L54-R58 PolarHBondContact O-N 2.91Å; L54-R58 VanDerWaalsContact O-N 3.09Å; S55-R58 PolarHBondContact O-N 3.37Å; E56-R58 VanDerWaalsContact C-N 3.3Å; E56-R58 PolarHBondContact O-N 2.89Å; R58-S62 PolarHBondContact O-N 3.42Å; R58-S62 VanDerWaalsContact O-N 3.08Å |
| 59 | K | 96.6 | Very high | 94.9 | Very high | 127 Ų | 127 | 101.6 Ų | 101.6 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.4 | -42.7 | 174.8 | -69.9 | 170 | -170.3 | 170.5 | 0 | 110.8 | S55 E56 I57 S62 Q63 | S55-K59 WeakPolarHBondContact O-CG 3.49Å; S55-K59 PolarHBondContact O-N 3.32Å; S55-K59 VanDerWaalsContact O-N 3.09Å; E56-K59 WeakPolarHBondContact O-CB 3.31Å; E56-K59 PolarHBondContact O-N 2.88Å; I57-K59 VanDerWaalsContact C-N 3.3Å; I57-K59 PolarHBondContact O-N 3.23Å; K59-S62 PolarHBondContact O-N 3.45Å; K59-Q63 WeakPolarHBondContact O-CG 3.33Å; K59-Q63 PolarHBondContact O-N 3.29Å |
| 60 | L | 97.2 | Very high | 95.5 | Very high | 81 Ų | 81 | 103.9 Ų | 103.9 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.6 | -68.1 | 174.2 | 0 | 0 | 0 | 111.4 | E56 I57 S62 Q63 I64 | E56-L60 HydrophobicContact CG-CD1 4.28Å; E56-L60 HydrophobicContact CG-CG 4.45Å; E56-L60 WeakPolarHBondContact O-CG 3.48Å; E56-L60 PolarHBondContact O-N 2.96Å; I57-L60 PolarHBondContact O-N 3.31Å; I57-L60 VanDerWaalsContact O-N 3.14Å; L60-S62 VanDerWaalsContact C-N 3.34Å; L60-S62 PolarHBondContact O-N 2.86Å; L60-Q63 WeakPolarHBondContact O-CB 3.34Å; L60-Q63 PolarHBondContact O-N 2.86Å; L60-Q63 VanDerWaalsContact O-N 3.09Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 3.15Å |
| 61 | D | 97 | Very high | 95.9 | Very high | 86 Ų | 86 | 102.6 Ų | 102.6 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 174.8 | -71.7 | -22.7 | 0 | 0 | 0 | 111.1 | I57 Q63 I64 D65 | I57-D61 PolarHBondContact O-N 3.27Å; D61-Q63 VanDerWaalsContact C-N 3.31Å; D61-Q63 PolarHBondContact O-N 3.01Å; D61-I64 WeakPolarHBondContact O-CB 3.31Å; D61-I64 PolarHBondContact O-N 3.4Å; D61-D65 PolarHBondContact O-N 2.95Å |
| 62 | S | 96.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 97.9 Ų | 97.9 | 38% | 0.378 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 175.1 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | R58 K59 L60 D65 H66 | R58-S62 PolarHBondContact O-N 3.42Å; R58-S62 VanDerWaalsContact O-N 3.08Å; K59-S62 PolarHBondContact O-N 3.45Å; L60-S62 VanDerWaalsContact C-N 3.34Å; L60-S62 PolarHBondContact O-N 2.86Å; S62-D65 PolarHBondContact O-N 2.77Å; S62-H66 PolarHBondContact O-CD2 3.1Å; S62-H66 PolarHBondContact O-N 3.49Å; S62-H66 VanDerWaalsContact O-N 3.15Å |
| 63 | Q | 98 | Very high | 96.6 | Very high | 112 Ų | 112 | 97.5 Ų | 97.5 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 175.5 | -73.2 | 175.9 | 19.7 | 0 | 0 | 111.6 | K59 L60 D61 D65 H66 L67 | K59-Q63 WeakPolarHBondContact O-CG 3.33Å; K59-Q63 PolarHBondContact O-N 3.29Å; L60-Q63 WeakPolarHBondContact O-CB 3.34Å; L60-Q63 PolarHBondContact O-N 2.86Å; L60-Q63 VanDerWaalsContact O-N 3.09Å; D61-Q63 VanDerWaalsContact C-N 3.31Å; D61-Q63 PolarHBondContact O-N 3.01Å; Q63-D65 VanDerWaalsContact C-N 3.34Å; Q63-H66 PolarHBondContact O-N 2.92Å; Q63-L67 WeakPolarHBondContact O-CG 3.48Å; Q63-L67 PolarHBondContact O-N 2.9Å |
| 64 | I | 98.1 | Very high | 97 | Very high | 85 Ų | 85 | 96.2 Ų | 96.2 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 174.9 | -71.1 | 166.6 | 0 | 0 | 0 | 110.2 | L60 D61 H66 L67 N68 | L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 3.15Å; D61-I64 WeakPolarHBondContact O-CB 3.31Å; D61-I64 PolarHBondContact O-N 3.4Å; I64-H66 VanDerWaalsContact C-N 3.34Å; I64-H66 PolarHBondContact O-N 2.88Å; I64-L67 PolarHBondContact O-N 3.1Å; I64-L67 VanDerWaalsContact O-N 3.17Å; I64-N68 VanDerWaalsContact O-CG 3.28Å; I64-N68 PolarHBondContact O-N 3.34Å; I64-N68 PolarHBondContact O-ND2 2.94Å |
| 65 | D | 97.9 | Very high | 97.2 | Very high | 101 Ų | 101 | 98.4 Ų | 98.4 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 175.8 | -73.2 | -22.2 | 0 | 0 | 0 | 111.8 | D61 S62 Q63 L67 N68 D69 | D61-D65 PolarHBondContact O-N 2.95Å; S62-D65 PolarHBondContact O-N 2.77Å; Q63-D65 VanDerWaalsContact C-N 3.34Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3.05Å; D65-N68 PolarHBondContact O-N 3.39Å; D65-D69 PolarHBondContact O-N 2.89Å |
| 66 | H | 97.6 | Very high | 97.4 | Very high | 119 Ų | 119 | 102.9 Ų | 102.9 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -38 | 175.9 | -69.1 | -40 | 0 | 0 | 0 | 113.3 | S62 Q63 I64 Y70 | S62-H66 PolarHBondContact O-CD2 3.1Å; S62-H66 PolarHBondContact O-N 3.49Å; S62-H66 VanDerWaalsContact O-N 3.15Å; Q63-H66 PolarHBondContact O-N 2.92Å; I64-H66 VanDerWaalsContact C-N 3.34Å; I64-H66 PolarHBondContact O-N 2.88Å; H66-Y70 WeakPolarHBondContact O-CB 3.27Å; H66-Y70 PolarHBondContact O-N 3.36Å |
| 67 | L | 98.3 | Very high | 97.6 | Very high | 106 Ų | 106 | 105.9 Ų | 105.9 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | 175.7 | -72.6 | 173.5 | 0 | 0 | 0 | 111.4 | Q63 I64 D65 Y70 I71 | Q63-L67 WeakPolarHBondContact O-CG 3.48Å; Q63-L67 PolarHBondContact O-N 2.9Å; I64-L67 PolarHBondContact O-N 3.1Å; I64-L67 VanDerWaalsContact O-N 3.17Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 3.05Å; L67-Y70 WeakPolarHBondContact O-CB 3.39Å; L67-Y70 PolarHBondContact O-N 3.43Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 3.12Å |
| 68 | N | 97.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 107 Ų | 107 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176 | -71.4 | -28.7 | 0 | 0 | 0 | 111.3 | I64 D65 Y70 I71 A72 | I64-N68 VanDerWaalsContact O-CG 3.28Å; I64-N68 PolarHBondContact O-N 3.34Å; I64-N68 PolarHBondContact O-ND2 2.94Å; D65-N68 PolarHBondContact O-N 3.39Å; N68-Y70 VanDerWaalsContact C-N 3.29Å; N68-Y70 PolarHBondContact O-N 3.2Å; N68-I71 PolarHBondContact O-N 2.93Å; N68-A72 WeakPolarHBondContact O-CB 3.42Å; N68-A72 PolarHBondContact O-N 2.86Å |
| 69 | D | 98.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 102.2 Ų | 102.2 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 173.9 | -85.1 | -10.7 | 0 | 0 | 0 | 112.3 | D65 K73 | D65-D69 PolarHBondContact O-N 2.89Å; D69-K73 VanDerWaalsContact O-CG 3.28Å; D69-K73 WeakPolarHBondContact O-CG 3.34Å; D69-K73 PolarHBondContact O-N 3.39Å |
| 70 | Y | 98.5 | Very high | 98 | Very high | 152 Ų | 152 | 100.3 Ų | 100.3 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.2 | -45.6 | 178 | -178.8 | -102.9 | 0 | 0 | 0 | 111.6 | H66 L67 N68 A72 K73 V74 | H66-Y70 WeakPolarHBondContact O-CB 3.27Å; H66-Y70 PolarHBondContact O-N 3.36Å; L67-Y70 WeakPolarHBondContact O-CB 3.39Å; L67-Y70 PolarHBondContact O-N 3.43Å; N68-Y70 VanDerWaalsContact C-N 3.29Å; N68-Y70 PolarHBondContact O-N 3.2Å; Y70-A72 PolarHBondContact O-N 3.37Å; Y70-K73 WeakPolarHBondContact O-CB 3.48Å; Y70-K73 PolarHBondContact O-N 3.47Å; Y70-V74 HydrophobicContact CD1-CG2 4.13Å; Y70-V74 HydrophobicContact CD2-CG2 4.45Å; Y70-V74 HydrophobicContact CE1-CG2 3.67Å; Y70-V74 HydrophobicContact CE2-CG2 4.02Å; Y70-V74 WeakPolarHBondContact O-CG2 3.41Å; Y70-V74 PolarHBondContact O-N 3.27Å |
| 71 | I | 98.4 | Very high | 98 | Very high | 85 Ų | 85 | 100.5 Ų | 100.5 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.9 | -49.1 | 175.8 | -70.3 | 166.5 | 0 | 0 | 0 | 109.9 | L67 N68 K73 V74 E75 | L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 3.12Å; N68-I71 PolarHBondContact O-N 2.93Å; I71-K73 VanDerWaalsContact C-N 3.28Å; I71-K73 PolarHBondContact O-N 3.45Å; I71-V74 PolarHBondContact O-N 2.94Å; I71-V74 VanDerWaalsContact O-N 3.09Å; I71-E75 HydrophobicContact CG2-CG 4.18Å; I71-E75 WeakPolarHBondContact O-CB 3.24Å; I71-E75 WeakPolarHBondContact O-CG 3.4Å; I71-E75 PolarHBondContact O-N 3.34Å |
| 72 | A | 98.2 | Very high | 98.1 | Very high | 43 Ų | 43 | 101 Ų | 101 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N68 Y70 R76 | N68-A72 WeakPolarHBondContact O-CB 3.42Å; N68-A72 PolarHBondContact O-N 2.86Å; Y70-A72 PolarHBondContact O-N 3.37Å; A72-R76 WeakPolarHBondContact O-CB 3.31Å; A72-R76 PolarHBondContact O-N 2.87Å; A72-R76 VanDerWaalsContact O-N 3.11Å |
| 73 | K | 98.5 | Very high | 98.2 | Very high | 129 Ų | 129 | 102.4 Ų | 102.4 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | 174.5 | -74.4 | 167.9 | -172.9 | 167.4 | 0 | 111.9 | D69 Y70 I71 R77 | D69-K73 VanDerWaalsContact O-CG 3.28Å; D69-K73 WeakPolarHBondContact O-CG 3.34Å; D69-K73 PolarHBondContact O-N 3.39Å; Y70-K73 WeakPolarHBondContact O-CB 3.48Å; Y70-K73 PolarHBondContact O-N 3.47Å; I71-K73 VanDerWaalsContact C-N 3.28Å; I71-K73 PolarHBondContact O-N 3.45Å; K73-R77 WeakPolarHBondContact O-CB 3.46Å; K73-R77 PolarHBondContact O-N 2.88Å |
| 74 | V | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 104.9 Ų | 104.9 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 179.2 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | Y70 I71 R77 N78 | Y70-V74 HydrophobicContact CD1-CG2 4.13Å; Y70-V74 HydrophobicContact CD2-CG2 4.45Å; Y70-V74 HydrophobicContact CE1-CG2 3.67Å; Y70-V74 HydrophobicContact CE2-CG2 4.02Å; Y70-V74 WeakPolarHBondContact O-CG2 3.41Å; Y70-V74 PolarHBondContact O-N 3.27Å; I71-V74 PolarHBondContact O-N 2.94Å; I71-V74 VanDerWaalsContact O-N 3.09Å; V74-R77 PolarHBondContact O-N 3.49Å; V74-N78 WeakPolarHBondContact O-CB 3.36Å; V74-N78 PolarHBondContact O-N 3.38Å |
| 75 | E | 97.9 | Very high | 98.2 | Very high | 126 Ų | 126 | 105.2 Ų | 105.2 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -46.5 | 176.4 | -73.6 | 178.2 | 160.1 | 0 | 0 | 111.7 | I71 R77 N78 S79 | I71-E75 HydrophobicContact CG2-CG 4.18Å; I71-E75 WeakPolarHBondContact O-CB 3.24Å; I71-E75 WeakPolarHBondContact O-CG 3.4Å; I71-E75 PolarHBondContact O-N 3.34Å; E75-R77 PolarHBondContact O-N 3.24Å; E75-N78 PolarHBondContact O-N 3.2Å; E75-S79 PolarHBondContact O-N 2.82Å |
| 76 | R | 97.8 | Very high | 98.2 | Very high | 148 Ų | 148 | 105.3 Ų | 105.3 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.2 | -49.8 | 174.9 | -173.3 | -175.8 | -61.6 | 114.3 | 3.5 | 111.5 | A72 N78 S79 E80 | A72-R76 WeakPolarHBondContact O-CB 3.31Å; A72-R76 PolarHBondContact O-N 2.87Å; A72-R76 VanDerWaalsContact O-N 3.11Å; R76-N78 VanDerWaalsContact C-N 3.29Å; R76-N78 PolarHBondContact O-N 3.29Å; R76-S79 WeakPolarHBondContact O-CB 3.39Å; R76-S79 PolarHBondContact O-N 2.97Å; R76-E80 WeakPolarHBondContact O-CG 3.46Å; R76-E80 PolarHBondContact O-N 2.93Å |
| 77 | R | 98.1 | Very high | 98.2 | Very high | 174 Ų | 174 | 104 Ų | 104 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -40.5 | 178.6 | -176.4 | -179.1 | -177.5 | -177.5 | 1.3 | 111.6 | K73 V74 E75 E80 L81 | K73-R77 WeakPolarHBondContact O-CB 3.46Å; K73-R77 PolarHBondContact O-N 2.88Å; V74-R77 PolarHBondContact O-N 3.49Å; E75-R77 PolarHBondContact O-N 3.24Å; R77-E80 PolarHBondContact O-N 3.24Å; R77-L81 HydrophobicContact CG-CD1 4.17Å; R77-L81 HydrophobicContact CG-CG 4.49Å; R77-L81 WeakPolarHBondContact O-CB 3.41Å; R77-L81 VanDerWaalsContact O-CG 3.29Å; R77-L81 WeakPolarHBondContact O-CG 3.42Å; R77-L81 PolarHBondContact O-N 2.98Å |
| 78 | N | 98.2 | Very high | 98.2 | Very high | 109 Ų | 109 | 104.6 Ų | 104.6 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -43.2 | 178.8 | -167.6 | 31.3 | 0 | 0 | 0 | 111 | V74 E75 R76 L81 N82 | V74-N78 WeakPolarHBondContact O-CB 3.36Å; V74-N78 PolarHBondContact O-N 3.38Å; E75-N78 PolarHBondContact O-N 3.2Å; R76-N78 VanDerWaalsContact C-N 3.29Å; R76-N78 PolarHBondContact O-N 3.29Å; N78-L81 PolarHBondContact O-N 3.35Å; N78-N82 WeakPolarHBondContact O-CB 3.4Å; N78-N82 PolarHBondContact O-N 2.61Å |
| 79 | S | 98 | Very high | 98.2 | Very high | 66 Ų | 66 | 105.2 Ų | 105.2 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 173.9 | -166.5 | 0 | 0 | 0 | 0 | 111.4 | E75 R76 L81 N82 D83 | E75-S79 PolarHBondContact O-N 2.82Å; R76-S79 WeakPolarHBondContact O-CB 3.39Å; R76-S79 PolarHBondContact O-N 2.97Å; S79-L81 VanDerWaalsContact C-N 3.32Å; S79-L81 PolarHBondContact O-N 3Å; S79-N82 PolarHBondContact O-N 2.9Å; S79-N82 VanDerWaalsContact O-N 3.16Å; S79-D83 VanDerWaalsContact O-CG 3.28Å; S79-D83 PolarHBondContact O-N 3.5Å |
| 80 | E | 98.2 | Very high | 98.2 | Very high | 87 Ų | 87 | 106.2 Ų | 106.2 | 41% | 0.407 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 179.5 | -71.1 | 173.7 | -162.9 | 0 | 0 | 112.9 | R76 R77 R84 | R76-E80 WeakPolarHBondContact O-CG 3.46Å; R76-E80 PolarHBondContact O-N 2.93Å; R77-E80 PolarHBondContact O-N 3.24Å; E80-R84 VanDerWaalsContact O-CG 3.25Å; E80-R84 WeakPolarHBondContact O-CG 3.39Å; E80-R84 PolarHBondContact O-N 3.46Å |
| 81 | L | 98.3 | Very high | 98.2 | Very high | 86 Ų | 86 | 102.1 Ų | 102.1 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68 | -39 | 177.2 | -73.2 | 175.6 | 0 | 0 | 0 | 111.8 | R77 N78 S79 R84 L85 | R77-L81 HydrophobicContact CG-CD1 4.17Å; R77-L81 HydrophobicContact CG-CG 4.49Å; R77-L81 WeakPolarHBondContact O-CB 3.41Å; R77-L81 VanDerWaalsContact O-CG 3.29Å; R77-L81 WeakPolarHBondContact O-CG 3.42Å; R77-L81 PolarHBondContact O-N 2.98Å; N78-L81 PolarHBondContact O-N 3.35Å; S79-L81 VanDerWaalsContact C-N 3.32Å; S79-L81 PolarHBondContact O-N 3Å; L81-R84 PolarHBondContact O-N 2.97Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 PolarHBondContact O-N 3.3Å |
| 82 | N | 98.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 101.3 Ų | 101.3 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 176.7 | -163.6 | 22.6 | 0 | 0 | 0 | 111.3 | N78 S79 R84 L85 Q86 | N78-N82 WeakPolarHBondContact O-CB 3.4Å; N78-N82 PolarHBondContact O-N 2.61Å; S79-N82 PolarHBondContact O-N 2.9Å; S79-N82 VanDerWaalsContact O-N 3.16Å; N82-R84 VanDerWaalsContact C-N 3.33Å; N82-R84 PolarHBondContact O-N 3.3Å; N82-L85 WeakPolarHBondContact O-CB 3.15Å; N82-L85 PolarHBondContact O-N 3.45Å; N82-L85 VanDerWaalsContact O-N 3.15Å; N82-Q86 PolarHBondContact O-N 3.24Å |
| 83 | D | 98.2 | Very high | 98.2 | Very high | 84 Ų | 84 | 108.8 Ų | 108.8 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.3 | -67.2 | -22.4 | 0 | 0 | 0 | 111.7 | S79 Q86 T87 | S79-D83 VanDerWaalsContact O-CG 3.28Å; S79-D83 PolarHBondContact O-N 3.5Å; D83-Q86 PolarHBondContact O-N 3.36Å; D83-T87 WeakPolarHBondContact O-CB 3.42Å; D83-T87 PolarHBondContact O-N 3.4Å; D83-T87 PolarHBondContact O-OG1 3.4Å |
| 84 | R | 97.9 | Very high | 98.2 | Very high | 164 Ų | 164 | 109.3 Ų | 109.3 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -42.5 | 174.6 | -73.8 | 174.3 | -170 | -175.6 | 7.4 | 111.9 | E80 L81 N82 T87 F88 | E80-R84 VanDerWaalsContact O-CG 3.25Å; E80-R84 WeakPolarHBondContact O-CG 3.39Å; E80-R84 PolarHBondContact O-N 3.46Å; L81-R84 PolarHBondContact O-N 2.97Å; N82-R84 VanDerWaalsContact C-N 3.33Å; N82-R84 PolarHBondContact O-N 3.3Å; R84-T87 PolarHBondContact O-N 2.87Å; R84-F88 VanDerWaalsContact O-CB 3.31Å; R84-F88 WeakPolarHBondContact O-CB 3.37Å; R84-F88 PolarHBondContact O-N 2.92Å |
| 85 | L | 98.5 | Very high | 98.1 | Very high | 92 Ų | 92 | 109.4 Ų | 109.4 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 177.4 | 178.2 | 62.2 | 0 | 0 | 0 | 110.9 | L81 N82 F88 L89 | L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 PolarHBondContact O-N 3.3Å; N82-L85 WeakPolarHBondContact O-CB 3.15Å; N82-L85 PolarHBondContact O-N 3.45Å; N82-L85 VanDerWaalsContact O-N 3.15Å; L85-F88 PolarHBondContact O-N 2.91Å; L85-L89 HydrophobicContact CD1-CD1 4.28Å; L85-L89 HydrophobicContact CD1-CG 4.25Å; L85-L89 HydrophobicContact CG-CD1 4.14Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 2.91Å |
| 86 | Q | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 110.2 Ų | 110.2 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 177.8 | -173.7 | 176.8 | -17 | 0 | 0 | 111.1 | N82 D83 F88 L89 E90 | N82-Q86 PolarHBondContact O-N 3.24Å; D83-Q86 PolarHBondContact O-N 3.36Å; Q86-F88 VanDerWaalsContact C-N 3.29Å; Q86-F88 PolarHBondContact O-N 3.07Å; Q86-L89 PolarHBondContact O-N 2.8Å; Q86-E90 PolarHBondContact NE2-OE1 3.43Å; Q86-E90 VanDerWaalsContact NE2-OE1 3.07Å; Q86-E90 WeakPolarHBondContact O-CG 3.43Å; Q86-E90 PolarHBondContact O-N 3.49Å |
| 87 | T | 98 | Very high | 98.2 | Very high | 91 Ų | 91 | 105.9 Ų | 105.9 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.9 | -44 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | D83 R84 E90 S91 | D83-T87 WeakPolarHBondContact O-CB 3.42Å; D83-T87 PolarHBondContact O-N 3.4Å; D83-T87 PolarHBondContact O-OG1 3.4Å; R84-T87 PolarHBondContact O-N 2.87Å; T87-E90 PolarHBondContact O-N 2.96Å; T87-S91 WeakPolarHBondContact O-CB 3.46Å; T87-S91 PolarHBondContact O-N 2.9Å |
| 88 | F | 98.2 | Very high | 98.2 | Very high | 118 Ų | 118 | 103 Ų | 103 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 177.8 | 176.9 | -100.8 | 0 | 0 | 0 | 112.1 | R84 L85 Q86 S91 Q92 | R84-F88 VanDerWaalsContact O-CB 3.31Å; R84-F88 WeakPolarHBondContact O-CB 3.37Å; R84-F88 PolarHBondContact O-N 2.92Å; L85-F88 PolarHBondContact O-N 2.91Å; Q86-F88 VanDerWaalsContact C-N 3.29Å; Q86-F88 PolarHBondContact O-N 3.07Å; F88-S91 WeakPolarHBondContact O-CB 3.47Å; F88-S91 PolarHBondContact O-N 3.19Å; F88-Q92 HydrophobicContact CD1-CG 4.26Å; F88-Q92 HydrophobicContact CE1-CG 3.8Å; F88-Q92 HydrophobicContact CE2-CG 4.15Å; F88-Q92 HydrophobicContact CZ-CG 3.74Å; F88-Q92 WeakPolarHBondContact O-CG 3.29Å; F88-Q92 PolarHBondContact O-N 3.27Å |
| 89 | L | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 178 | -71.5 | 174.9 | 0 | 0 | 0 | 112.1 | L85 Q86 Q92 R93 | L85-L89 HydrophobicContact CD1-CD1 4.28Å; L85-L89 HydrophobicContact CD1-CG 4.25Å; L85-L89 HydrophobicContact CG-CD1 4.14Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 2.91Å; Q86-L89 PolarHBondContact O-N 2.8Å; L89-Q92 PolarHBondContact O-N 3.34Å; L89-R93 WeakPolarHBondContact O-CB 3.47Å; L89-R93 PolarHBondContact O-N 3.36Å |
| 90 | E | 98.1 | Very high | 98.2 | Very high | 111 Ų | 111 | 109.6 Ų | 109.6 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 174.6 | -73.5 | 176.7 | -169.3 | 0 | 0 | 111.6 | Q86 T87 R93 K94 | Q86-E90 PolarHBondContact NE2-OE1 3.43Å; Q86-E90 VanDerWaalsContact NE2-OE1 3.07Å; Q86-E90 WeakPolarHBondContact O-CG 3.43Å; Q86-E90 PolarHBondContact O-N 3.49Å; T87-E90 PolarHBondContact O-N 2.96Å; E90-R93 PolarHBondContact O-N 2.93Å; E90-K94 WeakPolarHBondContact O-CB 3.38Å; E90-K94 PolarHBondContact O-N 2.91Å |
| 91 | S | 98.1 | Very high | 98.2 | Very high | 67 Ų | 67 | 108.2 Ų | 108.2 | 47% | 0.469 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 174 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | T87 F88 R93 K94 E95 | T87-S91 WeakPolarHBondContact O-CB 3.46Å; T87-S91 PolarHBondContact O-N 2.9Å; F88-S91 WeakPolarHBondContact O-CB 3.47Å; F88-S91 PolarHBondContact O-N 3.19Å; S91-R93 VanDerWaalsContact C-N 3.31Å; S91-R93 PolarHBondContact O-N 2.99Å; S91-K94 PolarHBondContact O-N 2.94Å; S91-E95 WeakPolarHBondContact O-CB 3.39Å; S91-E95 PolarHBondContact O-N 3.44Å |
| 92 | Q | 98.3 | Very high | 98.2 | Very high | 67 Ų | 67 | 105.9 Ų | 105.9 | 31% | 0.313 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 177 | -76.5 | -65.1 | -39.4 | 0 | 0 | 112.1 | F88 L89 R96 | F88-Q92 HydrophobicContact CD1-CG 4.26Å; F88-Q92 HydrophobicContact CE1-CG 3.8Å; F88-Q92 HydrophobicContact CE2-CG 4.15Å; F88-Q92 HydrophobicContact CZ-CG 3.74Å; F88-Q92 WeakPolarHBondContact O-CG 3.29Å; F88-Q92 PolarHBondContact O-N 3.27Å; L89-Q92 PolarHBondContact O-N 3.34Å; Q92-R96 VanDerWaalsContact O-CB 3.31Å; Q92-R96 WeakPolarHBondContact O-CB 3.31Å; Q92-R96 PolarHBondContact O-N 2.86Å |
| 93 | R | 97.7 | Very high | 98.1 | Very high | 200 Ų | 200 | 106.8 Ų | 106.8 | 76% | 0.755 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | 176 | -177.5 | 179.7 | 176.7 | 175 | -0.7 | 111.2 | L89 E90 S91 R96 A97 | L89-R93 WeakPolarHBondContact O-CB 3.47Å; L89-R93 PolarHBondContact O-N 3.36Å; E90-R93 PolarHBondContact O-N 2.93Å; S91-R93 VanDerWaalsContact C-N 3.31Å; S91-R93 PolarHBondContact O-N 2.99Å; R93-R96 PolarHBondContact O-N 3.34Å; R93-A97 WeakPolarHBondContact O-CB 3.34Å; R93-A97 PolarHBondContact O-N 3.07Å |
| 94 | K | 98.1 | Very high | 98.1 | Very high | 141 Ų | 141 | 109.9 Ų | 109.9 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 178.4 | -176.6 | 178.5 | 178.5 | -179.3 | 0 | 111.4 | E90 S91 R96 A97 Q98 | E90-K94 WeakPolarHBondContact O-CB 3.38Å; E90-K94 PolarHBondContact O-N 2.91Å; S91-K94 PolarHBondContact O-N 2.94Å; K94-R96 PolarHBondContact O-N 3.15Å; K94-A97 PolarHBondContact O-N 3.44Å; K94-Q98 WeakPolarHBondContact O-CG 3.3Å; K94-Q98 PolarHBondContact O-N 3.4Å |
| 95 | E | 98.3 | Very high | 98.2 | Very high | 67 Ų | 67 | 107.5 Ų | 107.5 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 178 | -175.4 | 179.9 | -170.4 | 0 | 0 | 111.4 | S91 A97 Q98 R99 | S91-E95 WeakPolarHBondContact O-CB 3.39Å; S91-E95 PolarHBondContact O-N 3.44Å; E95-A97 VanDerWaalsContact C-N 3.3Å; E95-A97 PolarHBondContact O-N 2.98Å; E95-Q98 PolarHBondContact O-N 2.91Å; E95-R99 WeakPolarHBondContact O-CG 3.43Å; E95-R99 PolarHBondContact O-N 3.29Å; E95-R99 IonicContact OE1-CZ 3.53Å; E95-R99 VanDerWaalsContact OE1-CZ 3.31Å; E95-R99 IonicContact OE1-NE 3.55Å; E95-R99 PolarHBondContact OE1-NE 3.16Å; E95-R99 IonicContact OE1-NH2 2.76Å; E95-R99 PolarHBondContact OE1-NH2 2.95Å; E95-R99 IonicContact OE2-NH2 3.36Å |
| 96 | R | 98 | Very high | 98.1 | Very high | 143 Ų | 143 | 109.7 Ų | 109.7 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 176.4 | -175.4 | 179.8 | -73.7 | 146.5 | -3.7 | 111.9 | Q92 R93 K94 R99 R100 | Q92-R96 VanDerWaalsContact O-CB 3.31Å; Q92-R96 WeakPolarHBondContact O-CB 3.31Å; Q92-R96 PolarHBondContact O-N 2.86Å; R93-R96 PolarHBondContact O-N 3.34Å; K94-R96 PolarHBondContact O-N 3.15Å; R96-R99 PolarHBondContact O-N 3.24Å; R96-R100 WeakPolarHBondContact O-CB 3.31Å; R96-R100 VanDerWaalsContact O-CG 3.29Å; R96-R100 WeakPolarHBondContact O-CG 3.4Å; R96-R100 PolarHBondContact O-N 3.38Å |
| 97 | A | 98.2 | Very high | 98.1 | Very high | 56 Ų | 56 | 108.2 Ų | 108.2 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R93 K94 E95 R100 A101 | R93-A97 WeakPolarHBondContact O-CB 3.34Å; R93-A97 PolarHBondContact O-N 3.07Å; K94-A97 PolarHBondContact O-N 3.44Å; E95-A97 VanDerWaalsContact C-N 3.3Å; E95-A97 PolarHBondContact O-N 2.98Å; A97-R100 PolarHBondContact O-N 3.11Å; A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 2.92Å |
| 98 | Q | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 108.3 Ų | 108.3 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.2 | -73.4 | 175.8 | -17.7 | 0 | 0 | 112.1 | K94 E95 R100 A101 S102 | K94-Q98 WeakPolarHBondContact O-CG 3.3Å; K94-Q98 PolarHBondContact O-N 3.4Å; E95-Q98 PolarHBondContact O-N 2.91Å; Q98-R100 PolarHBondContact O-N 3.48Å; Q98-A101 PolarHBondContact O-N 3.02Å; Q98-S102 WeakPolarHBondContact O-CB 3.42Å; Q98-S102 PolarHBondContact O-N 3.25Å |
| 99 | R | 97.9 | Very high | 98.1 | Very high | 156 Ų | 156 | 106.4 Ų | 106.4 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.2 | -46.6 | 176.4 | -71.3 | -178.9 | -170.4 | -177.6 | 1.9 | 111.2 | E95 R96 S102 F103 | E95-R99 WeakPolarHBondContact O-CG 3.43Å; E95-R99 PolarHBondContact O-N 3.29Å; E95-R99 IonicContact OE1-CZ 3.53Å; E95-R99 VanDerWaalsContact OE1-CZ 3.31Å; E95-R99 IonicContact OE1-NE 3.55Å; E95-R99 PolarHBondContact OE1-NE 3.16Å; E95-R99 IonicContact OE1-NH2 2.76Å; E95-R99 PolarHBondContact OE1-NH2 2.95Å; E95-R99 IonicContact OE2-NH2 3.36Å; R96-R99 PolarHBondContact O-N 3.24Å; R99-S102 PolarHBondContact O-N 2.83Å; R99-S102 PolarHBondContact O-OG 3.19Å; R99-F103 WeakPolarHBondContact O-CB 3.46Å; R99-F103 PolarHBondContact O-N 3.27Å |
| 100 | R | 98.2 | Very high | 98.1 | Very high | 157 Ų | 157 | 104.8 Ų | 104.8 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.8 | -47.6 | 175.3 | -73.6 | 173.3 | 179.8 | -177.5 | -1.8 | 111.7 | R96 A97 Q98 S102 F103 Y104 | R96-R100 WeakPolarHBondContact O-CB 3.31Å; R96-R100 VanDerWaalsContact O-CG 3.29Å; R96-R100 WeakPolarHBondContact O-CG 3.4Å; R96-R100 PolarHBondContact O-N 3.38Å; A97-R100 PolarHBondContact O-N 3.11Å; Q98-R100 PolarHBondContact O-N 3.48Å; R100-S102 PolarHBondContact O-N 3.06Å; R100-F103 WeakPolarHBondContact O-CB 3.46Å; R100-F103 PolarHBondContact O-N 2.83Å; R100-Y104 WeakPolarHBondContact O-CD2 3.39Å; R100-Y104 PolarHBondContact O-N 3.09Å |
| 101 | A | 98.1 | Very high | 98.1 | Very high | 59 Ų | 59 | 106.1 Ų | 106.1 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A97 Q98 F103 Y104 Q105 | A97-A101 WeakPolarHBondContact O-CB 3.25Å; A97-A101 PolarHBondContact O-N 2.92Å; Q98-A101 PolarHBondContact O-N 3.02Å; A101-F103 VanDerWaalsContact C-N 3.28Å; A101-F103 PolarHBondContact O-N 2.91Å; A101-Y104 PolarHBondContact O-N 2.95Å; A101-Q105 WeakPolarHBondContact O-CB 3.46Å; A101-Q105 PolarHBondContact O-N 3.32Å |
| 102 | S | 98.1 | Very high | 98 | Very high | 37 Ų | 37 | 107.6 Ų | 107.6 | 26% | 0.259 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 177.8 | 78.7 | 0 | 0 | 0 | 0 | 112.9 | Q98 R99 R100 R106 | Q98-S102 WeakPolarHBondContact O-CB 3.42Å; Q98-S102 PolarHBondContact O-N 3.25Å; R99-S102 PolarHBondContact O-N 2.83Å; R99-S102 PolarHBondContact O-OG 3.19Å; R100-S102 PolarHBondContact O-N 3.06Å; S102-R106 WeakPolarHBondContact O-CG 3.48Å; S102-R106 PolarHBondContact O-N 3.19Å; S102-R106 PolarHBondContact O-NH1 3.47Å; S102-R106 PolarHBondContact OG-NH1 3.43Å; S102-R106 PolarHBondContact OG-NH2 2.97Å |
| 103 | F | 98.3 | Very high | 98 | Very high | 113 Ų | 113 | 110.7 Ų | 110.7 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -47.8 | 176.9 | 176.3 | -93 | 0 | 0 | 0 | 111 | R99 R100 A101 Q105 R106 Q107 | R99-F103 WeakPolarHBondContact O-CB 3.46Å; R99-F103 PolarHBondContact O-N 3.27Å; R100-F103 WeakPolarHBondContact O-CB 3.46Å; R100-F103 PolarHBondContact O-N 2.83Å; A101-F103 VanDerWaalsContact C-N 3.28Å; A101-F103 PolarHBondContact O-N 2.91Å; F103-Q105 VanDerWaalsContact C-N 3.33Å; F103-Q105 PolarHBondContact O-N 3Å; F103-R106 PolarHBondContact O-N 3.4Å; F103-Q107 WeakPolarHBondContact O-CB 3.43Å; F103-Q107 PolarHBondContact O-N 3.29Å |
| 104 | Y | 98.2 | Very high | 98 | Very high | 149 Ų | 149 | 107.5 Ų | 107.5 | 58% | 0.584 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 177.3 | -77.6 | -63.5 | 0 | 0 | 0 | 112.2 | R100 A101 Q107 Q108 | R100-Y104 WeakPolarHBondContact O-CD2 3.39Å; R100-Y104 PolarHBondContact O-N 3.09Å; A101-Y104 PolarHBondContact O-N 2.95Å; Y104-Q107 PolarHBondContact O-N 2.88Å; Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 PolarHBondContact O-N 3.42Å |
| 105 | Q | 98.2 | Very high | 98 | Very high | 115 Ų | 115 | 103.6 Ų | 103.6 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -52.2 | 174.7 | -178.1 | 178.7 | -6.6 | 0 | 0 | 111.1 | A101 F103 Q107 Q108 E109 | A101-Q105 WeakPolarHBondContact O-CB 3.46Å; A101-Q105 PolarHBondContact O-N 3.32Å; F103-Q105 VanDerWaalsContact C-N 3.33Å; F103-Q105 PolarHBondContact O-N 3Å; Q105-Q107 VanDerWaalsContact C-N 3.3Å; Q105-Q107 PolarHBondContact O-N 2.86Å; Q105-Q108 WeakPolarHBondContact O-CB 3.29Å; Q105-Q108 PolarHBondContact O-N 3.15Å; Q105-Q108 VanDerWaalsContact O-N 3.1Å; Q105-E109 HydrophobicContact CG-CG 4.46Å; Q105-E109 VanDerWaalsContact CG-OE1 3.27Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.48Å; Q105-E109 PolarHBondContact NE2-OE1 3.17Å; Q105-E109 WeakPolarHBondContact O-CG 3.49Å; Q105-E109 PolarHBondContact O-N 3.39Å |
| 106 | R | 97.7 | Very high | 98 | Very high | 138 Ų | 138 | 106.2 Ų | 106.2 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 177.6 | -73.6 | -171.3 | -61 | -85.8 | -2.3 | 113.1 | S102 F103 Q108 S110 | S102-R106 WeakPolarHBondContact O-CG 3.48Å; S102-R106 PolarHBondContact O-N 3.19Å; S102-R106 PolarHBondContact O-NH1 3.47Å; S102-R106 PolarHBondContact OG-NH1 3.43Å; S102-R106 PolarHBondContact OG-NH2 2.97Å; F103-R106 PolarHBondContact O-N 3.4Å; R106-Q108 VanDerWaalsContact C-N 3.32Å; R106-S110 VanDerWaalsContact O-CB 3.24Å; R106-S110 WeakPolarHBondContact O-CB 3.36Å; R106-S110 PolarHBondContact O-N 3.17Å |
| 107 | Q | 98 | Very high | 98 | Very high | 72 Ų | 72 | 105.7 Ų | 105.7 | 34% | 0.336 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 176.1 | -179.9 | 175.6 | 71.6 | 0 | 0 | 111.4 | F103 Y104 Q105 R111 | F103-Q107 WeakPolarHBondContact O-CB 3.43Å; F103-Q107 PolarHBondContact O-N 3.29Å; Y104-Q107 PolarHBondContact O-N 2.88Å; Q105-Q107 VanDerWaalsContact C-N 3.3Å; Q105-Q107 PolarHBondContact O-N 2.86Å; Q107-R111 VanDerWaalsContact O-CG 3.31Å; Q107-R111 WeakPolarHBondContact O-CG 3.33Å; Q107-R111 PolarHBondContact O-N 3.08Å; Q107-R111 VanDerWaalsContact O-N 3.12Å |
| 108 | Q | 98 | Very high | 98 | Very high | 94 Ų | 94 | 107 Ų | 107 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -49.1 | 177.2 | -176.6 | 61.5 | 23.2 | 0 | 0 | 111.1 | Y104 Q105 R106 S110 R111 E112 | Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 PolarHBondContact O-N 3.42Å; Q105-Q108 WeakPolarHBondContact O-CB 3.29Å; Q105-Q108 PolarHBondContact O-N 3.15Å; Q105-Q108 VanDerWaalsContact O-N 3.1Å; R106-Q108 VanDerWaalsContact C-N 3.32Å; Q108-S110 VanDerWaalsContact C-N 3.33Å; Q108-S110 PolarHBondContact O-N 3.29Å; Q108-R111 WeakPolarHBondContact O-CB 3.28Å; Q108-R111 PolarHBondContact O-N 3.08Å; Q108-R111 VanDerWaalsContact O-N 3.1Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.49Å; Q108-E112 PolarHBondContact NE2-OE1 2.94Å; Q108-E112 WeakPolarHBondContact O-CG 3.43Å; Q108-E112 PolarHBondContact O-N 3.43Å |
| 109 | E | 98 | Very high | 98 | Very high | 78 Ų | 78 | 105 Ų | 105 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.5 | -47.8 | 175.2 | -71.1 | 166.3 | 179.2 | 0 | 0 | 110.8 | Q105 R111 E112 E113 | Q105-E109 HydrophobicContact CG-CG 4.46Å; Q105-E109 VanDerWaalsContact CG-OE1 3.27Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.48Å; Q105-E109 PolarHBondContact NE2-OE1 3.17Å; Q105-E109 WeakPolarHBondContact O-CG 3.49Å; Q105-E109 PolarHBondContact O-N 3.39Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 PolarHBondContact O-N 3.49Å; E109-E112 PolarHBondContact O-N 2.97Å; E109-E112 VanDerWaalsContact O-N 3.15Å; E109-E113 WeakPolarHBondContact O-CB 3.39Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.28Å |
| 110 | S | 97.9 | Very high | 98 | Very high | 66 Ų | 66 | 103.7 Ų | 103.7 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -35.5 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 113.3 | R106 Q108 E114 | R106-S110 VanDerWaalsContact O-CB 3.24Å; R106-S110 WeakPolarHBondContact O-CB 3.36Å; R106-S110 PolarHBondContact O-N 3.17Å; Q108-S110 VanDerWaalsContact C-N 3.33Å; Q108-S110 PolarHBondContact O-N 3.29Å; S110-E114 WeakPolarHBondContact O-CB 3.35Å; S110-E114 PolarHBondContact O-N 3.09Å |
| 111 | R | 97.7 | Very high | 98 | Very high | 140 Ų | 140 | 98.2 Ų | 98.2 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.5 | -38.5 | 175.8 | -77.8 | 174.8 | 175.1 | 171.7 | 0.2 | 112 | Q107 Q108 E109 A115 | Q107-R111 VanDerWaalsContact O-CG 3.31Å; Q107-R111 WeakPolarHBondContact O-CG 3.33Å; Q107-R111 PolarHBondContact O-N 3.08Å; Q107-R111 VanDerWaalsContact O-N 3.12Å; Q108-R111 WeakPolarHBondContact O-CB 3.28Å; Q108-R111 PolarHBondContact O-N 3.08Å; Q108-R111 VanDerWaalsContact O-N 3.1Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 PolarHBondContact O-N 3.49Å; R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.34Å; R111-A115 PolarHBondContact O-N 2.85Å |
| 112 | E | 97.8 | Very high | 98 | Very high | 98 Ų | 98 | 100.5 Ų | 100.5 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -47.3 | 176.1 | -72.4 | 171.5 | -172.4 | 0 | 0 | 110.2 | Q108 E109 E114 A115 E116 | Q108-E112 WeakPolarHBondContact CG-OE1 3.49Å; Q108-E112 PolarHBondContact NE2-OE1 2.94Å; Q108-E112 WeakPolarHBondContact O-CG 3.43Å; Q108-E112 PolarHBondContact O-N 3.43Å; E109-E112 PolarHBondContact O-N 2.97Å; E109-E112 VanDerWaalsContact O-N 3.15Å; E112-E114 PolarHBondContact O-N 3.34Å; E112-A115 PolarHBondContact O-N 3.37Å; E112-E116 WeakPolarHBondContact O-CB 3.33Å; E112-E116 WeakPolarHBondContact O-CG 3.33Å; E112-E116 PolarHBondContact O-N 3.09Å |
| 113 | E | 97.4 | Very high | 98 | Very high | 132 Ų | 132 | 100.7 Ų | 100.7 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.6 | -43.9 | 174.3 | -71.7 | 174.9 | -174.1 | 0 | 0 | 112.4 | E109 E116 F117 | E109-E113 WeakPolarHBondContact O-CB 3.39Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.28Å; E113-E116 PolarHBondContact O-N 3.05Å; E113-F117 VanDerWaalsContact O-CB 3.3Å; E113-F117 WeakPolarHBondContact O-CB 3.31Å; E113-F117 PolarHBondContact O-N 2.84Å |
| 114 | E | 98.2 | Very high | 97.9 | Very high | 133 Ų | 133 | 99.8 Ų | 99.8 | 62% | 0.621 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 177 | -174.6 | 179.1 | -174 | 0 | 0 | 111.9 | S110 E112 F117 N118 | S110-E114 WeakPolarHBondContact O-CB 3.35Å; S110-E114 PolarHBondContact O-N 3.09Å; E112-E114 PolarHBondContact O-N 3.34Å; E114-F117 PolarHBondContact O-N 2.89Å; E114-N118 WeakPolarHBondContact O-CB 3.39Å; E114-N118 PolarHBondContact O-N 3.34Å |
| 115 | A | 98 | Very high | 97.9 | Very high | 59 Ų | 59 | 97.7 Ų | 97.7 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R111 E112 N118 S119 | R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.34Å; R111-A115 PolarHBondContact O-N 2.85Å; E112-A115 PolarHBondContact O-N 3.37Å; A115-N118 PolarHBondContact O-N 2.91Å; A115-S119 WeakPolarHBondContact O-CB 3.42Å; A115-S119 PolarHBondContact O-N 3.31Å |
| 116 | E | 98.1 | Very high | 97.8 | Very high | 121 Ų | 121 | 97 Ų | 97 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.1 | -46.3 | 174.8 | -74.6 | -176.9 | -174.9 | 0 | 0 | 111.5 | E112 E113 S119 Q120 | E112-E116 WeakPolarHBondContact O-CB 3.33Å; E112-E116 WeakPolarHBondContact O-CG 3.33Å; E112-E116 PolarHBondContact O-N 3.09Å; E113-E116 PolarHBondContact O-N 3.05Å; E116-S119 WeakPolarHBondContact O-CB 3.46Å; E116-S119 PolarHBondContact O-N 2.97Å; E116-Q120 WeakPolarHBondContact O-CG 3.25Å; E116-Q120 PolarHBondContact O-N 2.91Å |
| 117 | F | 98.2 | Very high | 97.8 | Very high | 133 Ų | 133 | 97.4 Ų | 97.4 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.8 | -48.7 | 176.8 | 176 | -103.8 | 0 | 0 | 0 | 111.7 | E113 E114 S119 Q120 V121 | E113-F117 VanDerWaalsContact O-CB 3.3Å; E113-F117 WeakPolarHBondContact O-CB 3.31Å; E113-F117 PolarHBondContact O-N 2.84Å; E114-F117 PolarHBondContact O-N 2.89Å; F117-S119 VanDerWaalsContact C-N 3.3Å; F117-S119 PolarHBondContact O-N 3.14Å; F117-Q120 WeakPolarHBondContact O-CB 3.28Å; F117-Q120 PolarHBondContact O-N 3.19Å; F117-Q120 VanDerWaalsContact O-N 3.14Å; F117-V121 HydrophobicContact CD1-CG2 4.23Å; F117-V121 HydrophobicContact CD2-CG2 4.4Å; F117-V121 HydrophobicContact CE1-CG2 3.76Å; F117-V121 HydrophobicContact CE2-CG2 3.95Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.39Å; F117-V121 PolarHBondContact O-N 3.09Å |
| 118 | N | 98.1 | Very high | 97.7 | Very high | 82 Ų | 82 | 97.6 Ų | 97.6 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 178.2 | -176.2 | 36.2 | 0 | 0 | 0 | 111.6 | E114 A115 Q120 V121 Q122 | E114-N118 WeakPolarHBondContact O-CB 3.39Å; E114-N118 PolarHBondContact O-N 3.34Å; A115-N118 PolarHBondContact O-N 2.91Å; N118-Q120 PolarHBondContact O-N 3.49Å; N118-V121 PolarHBondContact O-N 3.36Å; N118-Q122 PolarHBondContact ND2-NE2 2.89Å; N118-Q122 WeakPolarHBondContact O-CB 3.36Å; N118-Q122 VanDerWaalsContact O-CG 3.31Å; N118-Q122 WeakPolarHBondContact O-CG 3.41Å; N118-Q122 PolarHBondContact O-N 3.41Å; N118-Q122 PolarHBondContact OD1-NE2 3.4Å |
| 119 | S | 98 | Very high | 97.6 | Very high | 74 Ų | 74 | 97.4 Ų | 97.4 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 174.4 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | A115 E116 F117 Q122 A123 | A115-S119 WeakPolarHBondContact O-CB 3.42Å; A115-S119 PolarHBondContact O-N 3.31Å; E116-S119 WeakPolarHBondContact O-CB 3.46Å; E116-S119 PolarHBondContact O-N 2.97Å; F117-S119 VanDerWaalsContact C-N 3.3Å; F117-S119 PolarHBondContact O-N 3.14Å; S119-Q122 PolarHBondContact O-N 3.41Å; S119-A123 WeakPolarHBondContact O-CB 3.45Å; S119-A123 PolarHBondContact O-N 2.91Å |
| 120 | Q | 98.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 98.3 Ų | 98.3 | 59% | 0.593 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.2 | -69.2 | 176.6 | 39.9 | 0 | 0 | 112.4 | E116 F117 N118 A123 M124 | E116-Q120 WeakPolarHBondContact O-CG 3.25Å; E116-Q120 PolarHBondContact O-N 2.91Å; F117-Q120 WeakPolarHBondContact O-CB 3.28Å; F117-Q120 PolarHBondContact O-N 3.19Å; F117-Q120 VanDerWaalsContact O-N 3.14Å; N118-Q120 PolarHBondContact O-N 3.49Å; Q120-A123 PolarHBondContact O-N 2.9Å; Q120-M124 WeakPolarHBondContact O-CB 3.27Å; Q120-M124 PolarHBondContact O-N 2.98Å |
| 121 | V | 98.2 | Very high | 97.2 | Very high | 43 Ų | 43 | 97.6 Ų | 97.6 | 26% | 0.261 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111 | F117 N118 A123 M124 L125 | F117-V121 HydrophobicContact CD1-CG2 4.23Å; F117-V121 HydrophobicContact CD2-CG2 4.4Å; F117-V121 HydrophobicContact CE1-CG2 3.76Å; F117-V121 HydrophobicContact CE2-CG2 3.95Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.39Å; F117-V121 PolarHBondContact O-N 3.09Å; N118-V121 PolarHBondContact O-N 3.36Å; V121-A123 PolarHBondContact O-N 3.28Å; V121-M124 WeakPolarHBondContact O-CB 3.08Å; V121-M124 PolarHBondContact O-N 2.95Å; V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 HydrophobicContact CG1-CG 4.44Å; V121-L125 WeakPolarHBondContact O-CG 3.4Å; V121-L125 PolarHBondContact O-N 2.92Å |
| 122 | Q | 98 | Very high | 97.1 | Very high | 106 Ų | 106 | 98.2 Ų | 98.2 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 177 | -72.4 | 178.8 | 15.8 | 0 | 0 | 111.6 | N118 S119 M124 L125 M126 | N118-Q122 PolarHBondContact ND2-NE2 2.89Å; N118-Q122 WeakPolarHBondContact O-CB 3.36Å; N118-Q122 VanDerWaalsContact O-CG 3.31Å; N118-Q122 WeakPolarHBondContact O-CG 3.41Å; N118-Q122 PolarHBondContact O-N 3.41Å; N118-Q122 PolarHBondContact OD1-NE2 3.4Å; S119-Q122 PolarHBondContact O-N 3.41Å; Q122-M124 VanDerWaalsContact C-N 3.29Å; Q122-M124 PolarHBondContact O-N 2.89Å; Q122-L125 PolarHBondContact O-N 3.48Å; Q122-M126 WeakPolarHBondContact O-CG 3.27Å; Q122-M126 PolarHBondContact O-N 3.17Å |
| 123 | A | 97.9 | Very high | 96.8 | Very high | 42 Ų | 42 | 97.7 Ų | 97.7 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S119 Q120 V121 R127 | S119-A123 WeakPolarHBondContact O-CB 3.45Å; S119-A123 PolarHBondContact O-N 2.91Å; Q120-A123 PolarHBondContact O-N 2.9Å; V121-A123 PolarHBondContact O-N 3.28Å; A123-R127 WeakPolarHBondContact O-CG 3.41Å; A123-R127 PolarHBondContact O-N 2.92Å; A123-R127 VanDerWaalsContact O-N 3.09Å |
| 124 | M | 97.3 | Very high | 96.5 | Very high | 94 Ų | 94 | 98.8 Ų | 98.8 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 175.7 | -174.7 | 177.3 | 68.8 | 0 | 0 | 112.1 | Q120 V121 Q122 M126 R127 C128 | Q120-M124 WeakPolarHBondContact O-CB 3.27Å; Q120-M124 PolarHBondContact O-N 2.98Å; V121-M124 WeakPolarHBondContact O-CB 3.08Å; V121-M124 PolarHBondContact O-N 2.95Å; Q122-M124 VanDerWaalsContact C-N 3.29Å; Q122-M124 PolarHBondContact O-N 2.89Å; M124-M126 VanDerWaalsContact C-N 3.31Å; M124-M126 PolarHBondContact O-N 3.31Å; M124-R127 PolarHBondContact O-N 3.25Å; M124-R127 VanDerWaalsContact O-N 3.16Å; M124-C128 PolarHBondContact O-N 2.92Å; M124-C128 PolarHBondContact O-SG 3.37Å; M124-C128 VanDerWaalsContact O-SG 3.37Å |
| 125 | L | 97.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 177.5 | -71.3 | 173.2 | 0 | 0 | 0 | 111.6 | V121 Q122 R127 C128 Q129 | V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 HydrophobicContact CG1-CG 4.44Å; V121-L125 WeakPolarHBondContact O-CG 3.4Å; V121-L125 PolarHBondContact O-N 2.92Å; Q122-L125 PolarHBondContact O-N 3.48Å; L125-R127 PolarHBondContact O-N 2.83Å; L125-C128 PolarHBondContact O-N 3.48Å; L125-Q129 WeakPolarHBondContact O-CB 3.36Å; L125-Q129 PolarHBondContact O-N 2.94Å |
| 126 | M | 97 | Very high | 95.8 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 50% | 0.502 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.4 | -71.6 | -59.2 | -67.4 | 0 | 0 | 112 | Q122 M124 Q129 Q130 | Q122-M126 WeakPolarHBondContact O-CG 3.27Å; Q122-M126 PolarHBondContact O-N 3.17Å; M124-M126 VanDerWaalsContact C-N 3.31Å; M124-M126 PolarHBondContact O-N 3.31Å; M126-Q129 PolarHBondContact O-N 2.77Å; M126-Q130 WeakPolarHBondContact O-CB 3.32Å; M126-Q130 VanDerWaalsContact O-CG 3.25Å; M126-Q130 WeakPolarHBondContact O-CG 3.33Å; M126-Q130 PolarHBondContact O-N 2.86Å |
| 127 | R | 96.3 | Very high | 95.3 | Very high | 145 Ų | 145 | 92.4 Ų | 92.4 | 55% | 0.547 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175 | -72.1 | -171.4 | -58.7 | -96.7 | 4.4 | 112 | A123 M124 L125 Q130 A131 | A123-R127 WeakPolarHBondContact O-CG 3.41Å; A123-R127 PolarHBondContact O-N 2.92Å; A123-R127 VanDerWaalsContact O-N 3.09Å; M124-R127 PolarHBondContact O-N 3.25Å; M124-R127 VanDerWaalsContact O-N 3.16Å; L125-R127 PolarHBondContact O-N 2.83Å; R127-Q130 PolarHBondContact O-N 3.48Å; R127-A131 WeakPolarHBondContact O-CB 3.3Å; R127-A131 PolarHBondContact O-N 3.46Å |
| 128 | C | 96.3 | Very high | 94.4 | Very high | 76 Ų | 76 | 94.3 Ų | 94.3 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.7 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | M124 L125 A131 R132 | M124-C128 PolarHBondContact O-N 2.92Å; M124-C128 PolarHBondContact O-SG 3.37Å; M124-C128 VanDerWaalsContact O-SG 3.37Å; L125-C128 PolarHBondContact O-N 3.48Å; C128-A131 PolarHBondContact O-N 2.93Å; C128-R132 PolarHBondContact O-N 3.34Å |
| 129 | Q | 95.1 | Very high | 93.5 | Very high | 91 Ų | 91 | 94.1 Ų | 94.1 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.5 | -173.9 | 176.8 | 3.7 | 0 | 0 | 111.7 | L125 M126 A131 R132 N133 | L125-Q129 WeakPolarHBondContact O-CB 3.36Å; L125-Q129 PolarHBondContact O-N 2.94Å; M126-Q129 PolarHBondContact O-N 2.77Å; Q129-A131 VanDerWaalsContact C-N 3.34Å; Q129-A131 PolarHBondContact O-N 3.4Å; Q129-R132 PolarHBondContact O-N 2.76Å; Q129-N133 WeakPolarHBondContact O-CB 3.49Å; Q129-N133 PolarHBondContact O-N 3Å; Q129-N133 PolarHBondContact O-OD1 2.92Å |
| 130 | Q | 94.7 | Very high | 92.5 | Very high | 96 Ų | 96 | 92.7 Ų | 92.7 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 174.9 | -71.3 | 171.5 | 9.6 | 0 | 0 | 112.4 | M126 R127 R134 | M126-Q130 WeakPolarHBondContact O-CB 3.32Å; M126-Q130 VanDerWaalsContact O-CG 3.25Å; M126-Q130 WeakPolarHBondContact O-CG 3.33Å; M126-Q130 PolarHBondContact O-N 2.86Å; R127-Q130 PolarHBondContact O-N 3.48Å; Q130-R134 WeakPolarHBondContact O-CB 3.33Å; Q130-R134 WeakPolarHBondContact O-CG 3.43Å; Q130-R134 PolarHBondContact O-N 3.41Å; Q130-R134 VanDerWaalsContact O-N 3.08Å; Q130-R134 PolarHBondContact O-NE 3.46Å |
| 131 | A | 94.6 | Very high | 91.4 | Very high | 51 Ų | 51 | 92.3 Ų | 92.3 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R127 C128 Q129 R134 A135 | R127-A131 WeakPolarHBondContact O-CB 3.3Å; R127-A131 PolarHBondContact O-N 3.46Å; C128-A131 PolarHBondContact O-N 2.93Å; Q129-A131 VanDerWaalsContact C-N 3.34Å; Q129-A131 PolarHBondContact O-N 3.4Å; A131-R134 PolarHBondContact O-N 2.93Å; A131-A135 PolarHBondContact O-N 2.89Å |
| 132 | R | 94 | Very high | 90.4 | Very high | 153 Ų | 153 | 94.9 Ų | 94.9 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.8 | -46.1 | 175.6 | -173.3 | -178.4 | 69.3 | 175.6 | 0.8 | 112.1 | C128 Q129 R134 A135 N136 | C128-R132 PolarHBondContact O-N 3.34Å; Q129-R132 PolarHBondContact O-N 2.76Å; R132-R134 VanDerWaalsContact C-N 3.3Å; R132-R134 PolarHBondContact O-N 3.42Å; R132-A135 PolarHBondContact O-N 2.95Å; R132-N136 PolarHBondContact O-N 2.83Å |
| 133 | N | 92.4 | Very high | 89.4 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 178.9 | -69.4 | -5.2 | 0 | 0 | 0 | 111.6 | Q129 G137 | Q129-N133 WeakPolarHBondContact O-CB 3.49Å; Q129-N133 PolarHBondContact O-N 3Å; Q129-N133 PolarHBondContact O-OD1 2.92Å; N133-G137 PolarHBondContact O-N 3.37Å |
| 134 | R | 91.9 | Very high | 88.2 | Confident | 154 Ų | 154 | 102.3 Ų | 102.3 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 174.3 | -77.2 | -177.6 | -83.4 | -164.2 | -4.5 | 112.6 | Q130 A131 R132 G137 R138 | Q130-R134 WeakPolarHBondContact O-CB 3.33Å; Q130-R134 WeakPolarHBondContact O-CG 3.43Å; Q130-R134 PolarHBondContact O-N 3.41Å; Q130-R134 VanDerWaalsContact O-N 3.08Å; Q130-R134 PolarHBondContact O-NE 3.46Å; A131-R134 PolarHBondContact O-N 2.93Å; R132-R134 VanDerWaalsContact C-N 3.3Å; R132-R134 PolarHBondContact O-N 3.42Å; R134-G137 PolarHBondContact O-N 2.92Å; R134-R138 WeakPolarHBondContact O-CG 3.4Å; R134-R138 PolarHBondContact O-N 3Å; R134-R138 VanDerWaalsContact O-N 3.1Å |
| 135 | A | 90.5 | Very high | 87 | Confident | 50 Ų | 50 | 105.2 Ų | 105.2 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A131 R132 G137 R138 T139 | A131-A135 PolarHBondContact O-N 2.89Å; R132-A135 PolarHBondContact O-N 2.95Å; A135-G137 VanDerWaalsContact C-N 3.34Å; A135-G137 PolarHBondContact O-N 3.17Å; A135-R138 PolarHBondContact O-N 3.46Å; A135-T139 PolarHBondContact O-N 3.03Å; A135-T139 PolarHBondContact O-OG1 3.49Å; A135-T139 VanDerWaalsContact O-OG1 3.04Å |
| 136 | N | 90.2 | Very high | 85.8 | Confident | 96 Ų | 96 | 105.4 Ų | 105.4 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.4 | -69.7 | -4 | 0 | 0 | 0 | 112.5 | R132 T139 A140 | R132-N136 PolarHBondContact O-N 2.83Å; N136-T139 PolarHBondContact O-N 3.45Å; N136-A140 WeakPolarHBondContact O-CB 3.45Å; N136-A140 PolarHBondContact O-N 2.77Å |
| 137 | G | 86.8 | Confident | 84.3 | Confident | 33 Ų | 33 | 107.3 Ų | 107.3 | 34% | 0.34 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N133 R134 A135 A140 Q141 | N133-G137 PolarHBondContact O-N 3.37Å; R134-G137 PolarHBondContact O-N 2.92Å; A135-G137 VanDerWaalsContact C-N 3.34Å; A135-G137 PolarHBondContact O-N 3.17Å; G137-A140 PolarHBondContact O-N 3.11Å; G137-Q141 WeakPolarHBondContact O-CG 3.29Å; G137-Q141 PolarHBondContact O-N 2.89Å |
| 138 | R | 80.2 | Confident | 83.7 | Confident | 173 Ų | 173 | 105.4 Ų | 105.4 | 65% | 0.653 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.7 | -42.5 | 174.9 | -73.4 | 176.3 | 173.9 | -178.2 | -3.4 | 112.3 | R134 A135 A140 Q141 N142 | R134-R138 WeakPolarHBondContact O-CG 3.4Å; R134-R138 PolarHBondContact O-N 3Å; R134-R138 VanDerWaalsContact O-N 3.1Å; A135-R138 PolarHBondContact O-N 3.46Å; R138-A140 VanDerWaalsContact C-N 3.33Å; R138-A140 PolarHBondContact O-N 3.49Å; R138-Q141 PolarHBondContact O-N 3.32Å; R138-N142 PolarHBondContact O-N 3.14Å; R138-N142 PolarHBondContact O-ND2 3.2Å; R138-N142 PolarHBondContact O-OD1 2.86Å |
| 139 | T | 78.6 | Confident | 83 | Confident | 78 Ų | 78 | 106.9 Ų | 106.9 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -42.7 | 176.4 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | A135 N136 N142 I143 | A135-T139 PolarHBondContact O-N 3.03Å; A135-T139 PolarHBondContact O-OG1 3.49Å; A135-T139 VanDerWaalsContact O-OG1 3.04Å; N136-T139 PolarHBondContact O-N 3.45Å; T139-N142 PolarHBondContact O-N 3.18Å; T139-I143 HydrophobicContact CG2-CD1 4.11Å; T139-I143 VanDerWaalsContact O-CG1 3.28Å; T139-I143 WeakPolarHBondContact O-CG1 3.46Å; T139-I143 PolarHBondContact O-N 3.24Å; T139-I143 VanDerWaalsContact O-N 3.1Å |
| 140 | A | 77.1 | Confident | 82.3 | Confident | 44 Ų | 44 | 107.8 Ų | 107.8 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.8 | -46.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N136 G137 R138 N142 I143 Y144 | N136-A140 WeakPolarHBondContact O-CB 3.45Å; N136-A140 PolarHBondContact O-N 2.77Å; G137-A140 PolarHBondContact O-N 3.11Å; R138-A140 VanDerWaalsContact C-N 3.33Å; R138-A140 PolarHBondContact O-N 3.49Å; A140-N142 PolarHBondContact O-N 2.94Å; A140-I143 PolarHBondContact O-N 3.21Å; A140-Y144 VanDerWaalsContact O-CD2 3.26Å; A140-Y144 WeakPolarHBondContact O-CD2 3.42Å; A140-Y144 PolarHBondContact O-N 2.62Å |
| 141 | Q | 75.4 | Confident | 81.6 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 56% | 0.556 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.6 | -47 | 176.3 | -75.5 | 174 | -30.2 | 0 | 0 | 112.1 | G137 R138 I143 Y144 E145 | G137-Q141 WeakPolarHBondContact O-CG 3.29Å; G137-Q141 PolarHBondContact O-N 2.89Å; R138-Q141 PolarHBondContact O-N 3.32Å; Q141-I143 VanDerWaalsContact C-N 3.29Å; Q141-I143 PolarHBondContact O-N 2.75Å; Q141-Y144 PolarHBondContact O-N 2.86Å; Q141-Y144 VanDerWaalsContact O-N 3.17Å; Q141-E145 WeakPolarHBondContact O-CG 3.27Å; Q141-E145 PolarHBondContact O-N 2.87Å |
| 142 | N | 77.5 | Confident | 80.8 | Confident | 97 Ų | 97 | 112.1 Ų | 112.1 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.7 | -35.6 | 178.7 | -66.7 | -14.6 | 0 | 0 | 0 | 112.8 | R138 T139 A140 S146 | R138-N142 PolarHBondContact O-N 3.14Å; R138-N142 PolarHBondContact O-ND2 3.2Å; R138-N142 PolarHBondContact O-OD1 2.86Å; T139-N142 PolarHBondContact O-N 3.18Å; A140-N142 PolarHBondContact O-N 2.94Å; N142-S146 WeakPolarHBondContact O-CB 3.37Å; N142-S146 PolarHBondContact O-N 2.66Å; N142-S146 PolarHBondContact O-OG 2.94Å |
| 143 | I | 77.6 | Confident | 79.9 | Confident | 113 Ų | 113 | 109.4 Ų | 109.4 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.1 | -43.1 | 176.4 | -67.5 | 164.7 | 0 | 0 | 0 | 110.5 | T139 A140 Q141 S146 | T139-I143 HydrophobicContact CG2-CD1 4.11Å; T139-I143 VanDerWaalsContact O-CG1 3.28Å; T139-I143 WeakPolarHBondContact O-CG1 3.46Å; T139-I143 PolarHBondContact O-N 3.24Å; T139-I143 VanDerWaalsContact O-N 3.1Å; A140-I143 PolarHBondContact O-N 3.21Å; Q141-I143 VanDerWaalsContact C-N 3.29Å; Q141-I143 PolarHBondContact O-N 2.75Å; I143-S146 PolarHBondContact O-N 2.77Å |
| 144 | Y | 72.6 | Confident | 79 | Confident | 192 Ų | 192 | 110.9 Ų | 110.9 | 75% | 0.753 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.8 | -33.7 | 178 | -86.1 | -74.9 | 0 | 0 | 0 | 113.2 | A140 Q141 S146 | A140-Y144 VanDerWaalsContact O-CD2 3.26Å; A140-Y144 WeakPolarHBondContact O-CD2 3.42Å; A140-Y144 PolarHBondContact O-N 2.62Å; Q141-Y144 PolarHBondContact O-N 2.86Å; Q141-Y144 VanDerWaalsContact O-N 3.17Å; Y144-S146 VanDerWaalsContact C-N 3.29Å |
| 145 | E | 70.9 | Confident | 78 | Confident | 155 Ų | 155 | 107.6 Ų | 107.6 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.9 | -14.8 | 177.8 | -70.8 | 176.7 | -173.4 | 0 | 0 | 113.5 | Q141 | Q141-E145 WeakPolarHBondContact O-CG 3.27Å; Q141-E145 PolarHBondContact O-N 2.87Å |
| 146 | S | 72.4 | Confident | 77 | Confident | 107 Ų | 107 | 112.4 Ų | 112.4 | 75% | 0.748 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -6.6 | -178.8 | -55.1 | 0 | 0 | 0 | 0 | 114.2 | N142 I143 Y144 | N142-S146 WeakPolarHBondContact O-CB 3.37Å; N142-S146 PolarHBondContact O-N 2.66Å; N142-S146 PolarHBondContact O-OG 2.94Å; I143-S146 PolarHBondContact O-N 2.77Å; Y144-S146 VanDerWaalsContact C-N 3.29Å |
| 147 | A | 64.8 | Low | 75.8 | Confident | 142 Ų | 142 | 113.9 Ų | 113.9 | 100% | 1.174 | 63% | 0.626 | S | S | * | * | trans | -100 | 0 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 147 of 147 residues in 36 ms
(Link to these results)