| 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 | 40 | Very low | 48 | Very low | 253 Ų | 253 | 138.5 Ų | 138.5 | 100% | 1.246 | 84% | 0.844 | S | S | * | * | 0 | 131.3 | 0 | -79.2 | -172.5 | 162.8 | 0 | 0 | 108.1 | |||||
| 2 | G | 38.6 | Very low | 49 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | 106.2 | 99.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 3 | S | 42.6 | Very low | 50.1 | Low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -76.6 | 161.9 | 171.8 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 4 | S | 50.7 | Low | 51 | Low | 124 Ų | 124 | 141.9 Ų | 141.9 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | 134.4 | 131.7 | 134.7 | 67.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 5 | G | 48.6 | Very low | 51.2 | Low | 65 Ų | 65 | 139.6 Ų | 139.6 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | cis | -158.5 | 138.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 6 | L | 44.2 | Very low | 51.6 | Low | 145 Ų | 145 | 140.1 Ų | 140.1 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | 48.4 | 85.4 | 97.6 | -65.9 | 174.8 | 0 | 0 | 0 | 115.1 | F8 | L6-F8 HydrophobicContact CD2-CD2 3.52Å; L6-F8 HydrophobicContact CD2-CE2 3.51Å | |||
| 7 | D | 50.4 | Low | 51.6 | Low | 170 Ų | 170 | 145.5 Ų | 145.5 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -118.1 | 95.3 | 142.1 | -89.7 | -28.4 | 0 | 0 | 0 | 107.7 | ||||
| 8 | F | 42 | Very low | 51.4 | Low | 168 Ų | 168 | 146.2 Ų | 146.2 | 74% | 0.737 | 81% | 0.813 | S | S | * | * | trans | -85.8 | 101.7 | 167.7 | -96.2 | -94.5 | 0 | 0 | 0 | 108.1 | L6 V10 | L6-F8 HydrophobicContact CD2-CD2 3.52Å; L6-F8 HydrophobicContact CD2-CE2 3.51Å; F8-V10 HydrophobicContact CD1-CG2 3.88Å | ||
| 9 | N | 56 | Low | 51.2 | Low | 172 Ų | 172 | 148.1 Ų | 148.1 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -96.8 | 95.9 | 160.1 | -119.1 | -8.6 | 0 | 0 | 0 | 108 | ||||
| 10 | V | 51.7 | Low | 51.1 | Low | 99 Ų | 99 | 147.7 Ų | 147.7 | 60% | 0.6 | 82% | 0.817 | S | S | * | * | trans | -91.7 | 107 | 171.2 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | F8 F12 | F8-V10 HydrophobicContact CD1-CG2 3.88Å; V10-F12 HydrophobicContact CG1-CD1 4.03Å | ||
| 11 | S | 63.3 | Low | 51 | Low | 123 Ų | 123 | 149.4 Ų | 149.4 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -100.1 | 118.1 | 165.2 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 12 | F | 59.4 | Low | 51.2 | Low | 155 Ų | 155 | 141.3 Ų | 141.3 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -108.4 | 126.9 | 169.3 | 45 | -92.8 | 0 | 0 | 0 | 109 | V10 I14 | V10-F12 HydrophobicContact CG1-CD1 4.03Å; F12-I14 HydrophobicContact CD2-CG1 4.09Å; F12-I14 HydrophobicContact CE2-CG1 4.33Å; F12-I14 PolarHBondContact O-N 3.5Å | ||
| 13 | E | 63.4 | Low | 51.7 | Low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -73.9 | 119.2 | 166.6 | -171.9 | 166.2 | -161.9 | 0 | 0 | 107.2 | P15 | E13-P15 VanDerWaalsContact O-CD 3.24Å; E13-P15 WeakPolarHBondContact O-CD 3.24Å | ||
| 14 | I | 63.3 | Low | 52 | Low | 125 Ų | 125 | 146.3 Ų | 146.3 | 64% | 0.641 | 78% | 0.777 | S | S | * | * | trans | -79.5 | 112.5 | 173.6 | -59.6 | 171.2 | 0 | 0 | 0 | 106 | F12 I16 | F12-I14 HydrophobicContact CD2-CG1 4.09Å; F12-I14 HydrophobicContact CE2-CG1 4.33Å; F12-I14 PolarHBondContact O-N 3.5Å; I14-I16 VanDerWaalsContact C-N 3.32Å; I14-I16 HydrophobicContact CG2-CG1 4.49Å; I14-I16 PolarHBondContact O-N 3.18Å | ||
| 15 | P | 54.5 | Low | 51.8 | Low | 108 Ų | 108 | 143.8 Ų | 143.8 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -71.7 | 95.9 | 171.6 | -4 | 22.4 | 0 | 0 | 0 | 106.6 | E13 R17 | E13-P15 VanDerWaalsContact O-CD 3.24Å; E13-P15 WeakPolarHBondContact O-CD 3.24Å; P15-R17 PolarHBondContact O-N 2.89Å | ||
| 16 | I | 57.5 | Low | 51.8 | Low | 148 Ų | 148 | 148.6 Ų | 148.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -68 | 112.2 | 160.8 | -55.7 | 176.4 | 0 | 0 | 0 | 103.7 | I14 D18 | I14-I16 VanDerWaalsContact C-N 3.32Å; I14-I16 HydrophobicContact CG2-CG1 4.49Å; I14-I16 PolarHBondContact O-N 3.18Å; I16-D18 PolarHBondContact O-N 2.75Å; I16-D18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | R | 51.5 | Low | 52 | Low | 231 Ų | 231 | 150 Ų | 150 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -22.8 | 112.6 | -178.7 | -73.3 | -175.9 | 176 | -150.5 | -0.5 | 111.9 | P15 E19 | P15-R17 PolarHBondContact O-N 2.89Å; R17-E19 PolarHBondContact O-N 3.08Å | ||
| 18 | D | 47.8 | Very low | 51.9 | Low | 158 Ų | 158 | 148.7 Ų | 148.7 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -57.1 | 74.2 | 175.8 | -86 | -45.5 | 0 | 0 | 0 | 111.7 | I16 | I16-D18 PolarHBondContact O-N 2.75Å; I16-D18 VanDerWaalsContact O-N 3.08Å |
| 19 | E | 46.9 | Very low | 52.3 | Low | 182 Ų | 182 | 149.3 Ų | 149.3 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -148.9 | 51.6 | 164.9 | -70.6 | -162.6 | -173.5 | 0 | 0 | 110.7 | R17 | R17-E19 PolarHBondContact O-N 3.08Š| ||
| 20 | V | 49.9 | Very low | 51.7 | Low | 140 Ų | 140 | 145.1 Ų | 145.1 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -132.1 | 92.2 | 158.5 | -169.5 | 0 | 0 | 0 | 0 | 108.3 | S22 | V20-S22 PolarHBondContact O-N 3.32Š| ||
| 21 | Q | 48.4 | Very low | 51.4 | Low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -41 | 127.9 | 173.4 | -69.6 | 172.7 | 0.8 | 0 | 0 | 111 | ||||
| 22 | S | 45.6 | Very low | 50.8 | Low | 83 Ų | 83 | 143.4 Ų | 143.4 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | trans | -7.4 | 122.8 | 159 | -177.7 | 0 | 0 | 0 | 0 | 114.7 | V20 R24 | V20-S22 PolarHBondContact O-N 3.32Å; S22-R24 PolarHBondContact O-N 2.74Å; S22-R24 PolarHBondContact OG-N 3.35Å | ||
| 23 | P | 48.1 | Very low | 50.2 | Low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -73.6 | 63.1 | 164 | 31 | -31.6 | 0 | 0 | 0 | 109.4 | A25 | P23-A25 PolarHBondContact O-N 3.44Š| ||
| 24 | R | 49.1 | Very low | 49.7 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -82.5 | 20.6 | 164.1 | -130.9 | 179.3 | -172 | -172.1 | 4.2 | 111.4 | S22 L26 | S22-R24 PolarHBondContact O-N 2.74Å; S22-R24 PolarHBondContact OG-N 3.35Å; R24-L26 VanDerWaalsContact C-N 3.32Å | ||
| 25 | A | 47.3 | Very low | 49.2 | Very low | 72 Ų | 72 | 143.1 Ų | 143.1 | 60% | 0.595 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -87.1 | 6.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | P23 R27 | P23-A25 PolarHBondContact O-N 3.44Å; A25-R27 PolarHBondContact O-N 3.38Å |
| 26 | L | 48.5 | Very low | 48.9 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -80.1 | 6.2 | 169.2 | -78.4 | 166.6 | 0 | 0 | 0 | 113.7 | R24 | R24-L26 VanDerWaalsContact C-N 3.32Š|
| 27 | R | 47.1 | Very low | 48.8 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -111.5 | 10.2 | 178.1 | -72.7 | -170.4 | -179.8 | 174.9 | -0.8 | 115.2 | A25 L29 S30 | A25-R27 PolarHBondContact O-N 3.38Å; R27-L29 VanDerWaalsContact C-N 3.29Å; R27-L29 PolarHBondContact O-N 3.45Å; R27-S30 PolarHBondContact O-OG 3.16Å |
| 28 | L | 49.1 | Very low | 49.3 | Very low | 143 Ų | 143 | 140 Ų | 140 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -3 | 175.1 | -71.3 | 173.3 | 0 | 0 | 0 | 114.1 | S30 | L28-S30 PolarHBondContact O-N 3.5Š|
| 29 | L | 51 | Low | 50.1 | Low | 181 Ų | 181 | 140.5 Ų | 140.5 | 95% | 0.948 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 2.2 | 171.5 | -64.6 | 177.8 | 0 | 0 | 0 | 113.4 | R27 | R27-L29 VanDerWaalsContact C-N 3.29Å; R27-L29 PolarHBondContact O-N 3.45Å |
| 30 | S | 43 | Very low | 51.3 | Low | 84 Ų | 84 | 135.6 Ų | 135.6 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | trans | -132.5 | 64.6 | -179.9 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | R27 L28 P32 | R27-S30 PolarHBondContact O-OG 3.16Å; L28-S30 PolarHBondContact O-N 3.5Å; S30-P32 WeakPolarHBondContact O-CD 3.49Å | ||
| 31 | S | 45.8 | Very low | 52.9 | Low | 77 Ų | 77 | 131.8 Ų | 131.8 | 54% | 0.538 | 68% | 0.683 | S | S | . | * | trans | -100.5 | 106.1 | 163.4 | -163.2 | 0 | 0 | 0 | 0 | 108.2 | N33 | S31-N33 PolarHBondContact O-N 2.99Š| ||
| 32 | P | 49.2 | Very low | 54.7 | Low | 109 Ų | 109 | 128.4 Ų | 128.4 | 71% | 0.708 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 3.4 | -178.1 | -16.7 | 30.9 | 0 | 0 | 0 | 114.4 | S30 | S30-P32 WeakPolarHBondContact O-CD 3.49Š|
| 33 | N | 48 | Very low | 56.7 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 13 | -172.3 | -76.2 | -38.4 | 0 | 0 | 0 | 114.7 | S31 | S31-N33 PolarHBondContact O-N 2.99Š|
| 34 | Y | 51.6 | Low | 58.8 | Low | 178 Ų | 178 | 127.2 Ų | 127.2 | 70% | 0.698 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -84.6 | -25.2 | 171.7 | -149.8 | -94 | 0 | 0 | 0 | 112.9 | L36 R37 | Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-R37 PolarHBondContact O-N 3.44Å |
| 35 | I | 53.6 | Low | 60.8 | Low | 154 Ų | 154 | 126 Ų | 126 | 79% | 0.79 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -27.5 | -177.3 | -56 | 174.9 | 0 | 0 | 0 | 111.3 | ||
| 36 | L | 49.1 | Very low | 63 | Low | 137 Ų | 137 | 126.4 Ų | 126.4 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 9.4 | 178.6 | -97.9 | 152.5 | 0 | 0 | 0 | 113.7 | Y34 N38 | Y34-L36 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 2.73Å |
| 37 | R | 53.6 | Low | 65.3 | Low | 191 Ų | 191 | 122.8 Ų | 122.8 | 72% | 0.721 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -74.4 | 70.2 | 166.9 | -138.1 | -179.2 | -178.2 | -157.9 | -0.7 | 108.2 | Y34 | Y34-R37 PolarHBondContact O-N 3.44Š|
| 38 | N | 62 | Low | 67.6 | Low | 93 Ų | 93 | 119.1 Ų | 119.1 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | trans | 49.3 | 90.8 | 164.1 | -70.9 | -10.4 | 0 | 0 | 0 | 115 | L36 S40 D41 L42 | L36-N38 PolarHBondContact O-N 2.73Å; N38-S40 WeakPolarHBondContact CB-OG 3.26Å; N38-S40 PolarHBondContact O-N 3.41Å; N38-D41 HydrophobicContact CB-CB 3.72Å; N38-D41 WeakPolarHBondContact O-CA 3.49Å; N38-D41 WeakPolarHBondContact O-CB 3.49Å; N38-D41 PolarHBondContact O-N 3.35Å; N38-L42 PolarHBondContact O-N 3.3Å | ||
| 39 | E | 65.2 | Low | 69.9 | Low | 169 Ų | 169 | 114.5 Ų | 114.5 | 79% | 0.79 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -45.7 | -31.8 | 156.1 | -70.2 | -171.7 | 157.8 | 0 | 0 | 111.2 | L42 N43 | E39-L42 PolarHBondContact O-N 2.95Å; E39-N43 WeakPolarHBondContact O-CB 3.38Å; E39-N43 PolarHBondContact O-N 3.05Å |
| 40 | S | 72.3 | Confident | 72.1 | Confident | 78 Ų | 78 | 111.9 Ų | 111.9 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -40.3 | 171.1 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | N38 E44 | N38-S40 WeakPolarHBondContact CB-OG 3.26Å; N38-S40 PolarHBondContact O-N 3.41Å; S40-E44 WeakPolarHBondContact O-CB 3.37Å; S40-E44 PolarHBondContact O-N 3.49Å |
| 41 | D | 83.6 | Confident | 74.7 | Confident | 60 Ų | 60 | 113.4 Ų | 113.4 | 32% | 0.321 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.5 | -41.3 | 174.9 | 175.7 | 44.3 | 0 | 0 | 0 | 110.6 | N38 E44 R45 | N38-D41 HydrophobicContact CB-CB 3.72Å; N38-D41 WeakPolarHBondContact O-CA 3.49Å; N38-D41 WeakPolarHBondContact O-CB 3.49Å; N38-D41 PolarHBondContact O-N 3.35Å; D41-E44 PolarHBondContact O-N 3.16Å; D41-R45 WeakPolarHBondContact O-CB 3.16Å; D41-R45 VanDerWaalsContact O-CG 3.26Å; D41-R45 WeakPolarHBondContact O-CG 3.49Å; D41-R45 PolarHBondContact O-N 2.82Å; D41-R45 IonicContact OD1-CZ 3.94Å; D41-R45 IonicContact OD1-NE 3.16Å; D41-R45 PolarHBondContact OD1-NE 3.31Å; D41-R45 VanDerWaalsContact OD1-NE 3.16Å; D41-R45 IonicContact OD1-NH2 3.86Å; D41-R45 IonicContact OD2-CZ 3.58Å; D41-R45 IonicContact OD2-NE 3.35Å; D41-R45 PolarHBondContact OD2-NE 3.08Å; D41-R45 IonicContact OD2-NH2 3.41Å; D41-R45 PolarHBondContact OD2-NH2 2.82Å |
| 42 | L | 85 | Confident | 77.2 | Confident | 114 Ų | 114 | 117.3 Ų | 117.3 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.6 | -45.7 | 174.4 | -164.1 | 97.7 | 0 | 0 | 0 | 111.1 | N38 E39 R45 L46 | N38-L42 PolarHBondContact O-N 3.3Å; E39-L42 PolarHBondContact O-N 2.95Å; L42-R45 PolarHBondContact O-N 2.98Å; L42-L46 HydrophobicContact CD2-CD1 4.2Å; L42-L46 HydrophobicContact CG-CD1 4.49Å; L42-L46 WeakPolarHBondContact O-CG 3.5Å; L42-L46 PolarHBondContact O-N 3.45Å |
| 43 | N | 89.6 | Confident | 79.5 | Confident | 84 Ų | 84 | 120.8 Ų | 120.8 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65 | -41.6 | 179.2 | -165.7 | 59.1 | 0 | 0 | 0 | 111.3 | E39 R45 L46 E47 | E39-N43 WeakPolarHBondContact O-CB 3.38Å; E39-N43 PolarHBondContact O-N 3.05Å; N43-R45 VanDerWaalsContact C-N 3.34Å; N43-R45 PolarHBondContact O-N 3.04Å; N43-L46 PolarHBondContact O-N 3.09Å; N43-E47 WeakPolarHBondContact O-CG 3.48Å; N43-E47 PolarHBondContact O-N 2.95Å |
| 44 | E | 91 | Very high | 81.9 | Confident | 97 Ų | 97 | 118.1 Ų | 118.1 | 45% | 0.453 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.5 | -42.8 | 174.4 | -170.5 | -170.5 | 156.5 | 0 | 0 | 111.7 | S40 D41 L46 E47 K48 | S40-E44 WeakPolarHBondContact O-CB 3.37Å; S40-E44 PolarHBondContact O-N 3.49Å; D41-E44 PolarHBondContact O-N 3.16Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 3.26Å; E44-E47 PolarHBondContact O-N 3.29Å; E44-K48 HydrophobicContact CG-CD 4.43Å; E44-K48 WeakPolarHBondContact O-CB 3.46Å; E44-K48 WeakPolarHBondContact O-CG 3.32Å; E44-K48 PolarHBondContact O-N 2.82Å; E44-K48 WeakPolarHBondContact OE1-CE 3.48Å; E44-K48 IonicContact OE1-NZ 2.64Å; E44-K48 PolarHBondContact OE1-NZ 3.34Å |
| 45 | R | 91.3 | Very high | 84.1 | Confident | 161 Ų | 161 | 113.4 Ų | 113.4 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 175.6 | -72.4 | 170.7 | -175.7 | -145.5 | -0.1 | 112.1 | D41 L42 N43 A49 | D41-R45 WeakPolarHBondContact O-CB 3.16Å; D41-R45 VanDerWaalsContact O-CG 3.26Å; D41-R45 WeakPolarHBondContact O-CG 3.49Å; D41-R45 PolarHBondContact O-N 2.82Å; D41-R45 IonicContact OD1-CZ 3.94Å; D41-R45 IonicContact OD1-NE 3.16Å; D41-R45 PolarHBondContact OD1-NE 3.31Å; D41-R45 VanDerWaalsContact OD1-NE 3.16Å; D41-R45 IonicContact OD1-NH2 3.86Å; D41-R45 IonicContact OD2-CZ 3.58Å; D41-R45 IonicContact OD2-NE 3.35Å; D41-R45 PolarHBondContact OD2-NE 3.08Å; D41-R45 IonicContact OD2-NH2 3.41Å; D41-R45 PolarHBondContact OD2-NH2 2.82Å; L42-R45 PolarHBondContact O-N 2.98Å; N43-R45 VanDerWaalsContact C-N 3.34Å; N43-R45 PolarHBondContact O-N 3.04Å; R45-A49 WeakPolarHBondContact O-CB 3.37Å; R45-A49 PolarHBondContact O-N 2.83Å |
| 46 | L | 94.2 | Very high | 86.3 | Confident | 81 Ų | 81 | 110.3 Ų | 110.3 | 42% | 0.424 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 175.6 | -73.7 | 172.7 | 0 | 0 | 0 | 111.6 | L42 N43 E44 A49 R50 | L42-L46 HydrophobicContact CD2-CD1 4.2Å; L42-L46 HydrophobicContact CG-CD1 4.49Å; L42-L46 WeakPolarHBondContact O-CG 3.5Å; L42-L46 PolarHBondContact O-N 3.45Å; N43-L46 PolarHBondContact O-N 3.09Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 3.26Å; L46-A49 PolarHBondContact O-N 3.48Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 WeakPolarHBondContact O-CG 3.34Å; L46-R50 PolarHBondContact O-N 2.9Å |
| 47 | E | 95.8 | Very high | 88.6 | Confident | 89 Ų | 89 | 108 Ų | 108 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 174.5 | -73.6 | -48 | 130.3 | 0 | 0 | 111.7 | N43 E44 A49 R50 E51 | N43-E47 WeakPolarHBondContact O-CG 3.48Å; N43-E47 PolarHBondContact O-N 2.95Å; E44-E47 PolarHBondContact O-N 3.29Å; E47-A49 VanDerWaalsContact C-N 3.25Å; E47-A49 PolarHBondContact O-N 3.21Å; E47-R50 CarbonylContact O-C 3.58Å; E47-R50 WeakPolarHBondContact O-CA 3.37Å; E47-R50 WeakPolarHBondContact O-CB 3.49Å; E47-R50 PolarHBondContact O-N 2.88Å; E47-R50 VanDerWaalsContact O-N 3.08Å; E47-R50 IonicContact OE1-CZ 3.14Å; E47-R50 IonicContact OE1-NE 2.83Å; E47-R50 PolarHBondContact OE1-NE 2.66Å; E47-R50 IonicContact OE1-NH2 2.66Å; E47-R50 PolarHBondContact OE1-NH2 2.83Å; E47-R50 IonicContact OE2-NE 3.53Å; E47-E51 WeakPolarHBondContact O-CB 3.5Å; E47-E51 PolarHBondContact O-N 2.72Å |
| 48 | K | 96.4 | Very high | 90.7 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -35.5 | 173.8 | -76.7 | 174.7 | 171.6 | 165.9 | 0 | 112.4 | E44 R52 | E44-K48 HydrophobicContact CG-CD 4.43Å; E44-K48 WeakPolarHBondContact O-CB 3.46Å; E44-K48 WeakPolarHBondContact O-CG 3.32Å; E44-K48 PolarHBondContact O-N 2.82Å; E44-K48 WeakPolarHBondContact OE1-CE 3.48Å; E44-K48 IonicContact OE1-NZ 2.64Å; E44-K48 PolarHBondContact OE1-NZ 3.34Å; K48-R52 WeakPolarHBondContact O-CG 3.37Å; K48-R52 PolarHBondContact O-N 3.07Å; K48-R52 PolarHBondContact O-NE 3.07Å |
| 49 | A | 96.5 | Very high | 92.5 | Very high | 45 Ų | 45 | 101.8 Ų | 101.8 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R45 L46 E47 R53 | R45-A49 WeakPolarHBondContact O-CB 3.37Å; R45-A49 PolarHBondContact O-N 2.83Å; L46-A49 PolarHBondContact O-N 3.48Å; E47-A49 VanDerWaalsContact C-N 3.25Å; E47-A49 PolarHBondContact O-N 3.21Å; A49-R53 WeakPolarHBondContact O-CB 3.36Å; A49-R53 PolarHBondContact O-N 3.44Å; A49-R53 VanDerWaalsContact O-N 3.09Å |
| 50 | R | 97.6 | Very high | 94 | Very high | 126 Ų | 126 | 96.5 Ų | 96.5 | 48% | 0.475 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 173.1 | -80.4 | -170 | -97.1 | -95.2 | 2.4 | 111.4 | L46 E47 R53 S54 | L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 WeakPolarHBondContact O-CG 3.34Å; L46-R50 PolarHBondContact O-N 2.9Å; E47-R50 CarbonylContact O-C 3.58Å; E47-R50 WeakPolarHBondContact O-CA 3.37Å; E47-R50 WeakPolarHBondContact O-CB 3.49Å; E47-R50 PolarHBondContact O-N 2.88Å; E47-R50 VanDerWaalsContact O-N 3.08Å; E47-R50 IonicContact OE1-CZ 3.14Å; E47-R50 IonicContact OE1-NE 2.83Å; E47-R50 PolarHBondContact OE1-NE 2.66Å; E47-R50 IonicContact OE1-NH2 2.66Å; E47-R50 PolarHBondContact OE1-NH2 2.83Å; E47-R50 IonicContact OE2-NE 3.53Å; R50-R53 PolarHBondContact O-N 2.64Å; R50-S54 WeakPolarHBondContact O-CB 3.31Å; R50-S54 PolarHBondContact O-N 3.24Å |
| 51 | E | 97.9 | Very high | 95.3 | Very high | 116 Ų | 116 | 97.2 Ų | 97.2 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.2 | -49.7 | 178.8 | -173.1 | -176.9 | -171.4 | 0 | 0 | 111.5 | E47 R53 S54 N55 | E47-E51 WeakPolarHBondContact O-CB 3.5Å; E47-E51 PolarHBondContact O-N 2.72Å; E51-R53 VanDerWaalsContact C-N 3.3Å; E51-R53 PolarHBondContact O-N 3.03Å; E51-S54 WeakPolarHBondContact O-CA 3.5Å; E51-S54 WeakPolarHBondContact O-CB 3.37Å; E51-S54 PolarHBondContact O-N 3.08Å; E51-S54 VanDerWaalsContact O-N 3.08Å; E51-N55 VanDerWaalsContact O-CG 3.27Å; E51-N55 PolarHBondContact O-N 3.47Å |
| 52 | R | 97.8 | Very high | 96 | Very high | 160 Ų | 160 | 98.2 Ų | 98.2 | 60% | 0.604 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -56.6 | -44.7 | 175.6 | -76.8 | -177.6 | -68.1 | -130 | -1 | 112.2 | K48 S54 N55 V56 | K48-R52 WeakPolarHBondContact O-CG 3.37Å; K48-R52 PolarHBondContact O-N 3.07Å; K48-R52 PolarHBondContact O-NE 3.07Å; R52-S54 VanDerWaalsContact C-N 3.35Å; R52-N55 PolarHBondContact O-N 3.41Å; R52-V56 WeakPolarHBondContact O-CG2 3.43Å; R52-V56 PolarHBondContact O-N 3.3Å |
| 53 | R | 97.8 | Very high | 96.6 | Very high | 181 Ų | 181 | 99.5 Ų | 99.5 | 68% | 0.683 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 176.4 | 177.4 | -179.3 | 157.9 | -155.8 | -6.6 | 111.1 | A49 R50 E51 V56 L57 | A49-R53 WeakPolarHBondContact O-CB 3.36Å; A49-R53 PolarHBondContact O-N 3.44Å; A49-R53 VanDerWaalsContact O-N 3.09Å; R50-R53 PolarHBondContact O-N 2.64Å; E51-R53 VanDerWaalsContact C-N 3.3Å; E51-R53 PolarHBondContact O-N 3.03Å; R53-V56 PolarHBondContact O-N 2.83Å; R53-L57 HydrophobicContact CG-CD1 4.09Å; R53-L57 VanDerWaalsContact O-CG 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 2.78Å |
| 54 | S | 98.2 | Very high | 97 | Very high | 69 Ų | 69 | 100.2 Ų | 100.2 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 177.3 | -169.5 | 0 | 0 | 0 | 0 | 111.4 | R50 E51 R52 L57 A58 | R50-S54 WeakPolarHBondContact O-CB 3.31Å; R50-S54 PolarHBondContact O-N 3.24Å; E51-S54 WeakPolarHBondContact O-CA 3.5Å; E51-S54 WeakPolarHBondContact O-CB 3.37Å; E51-S54 PolarHBondContact O-N 3.08Å; E51-S54 VanDerWaalsContact O-N 3.08Å; R52-S54 VanDerWaalsContact C-N 3.35Å; S54-L57 PolarHBondContact O-N 2.81Å; S54-A58 WeakPolarHBondContact O-CB 3.36Å; S54-A58 PolarHBondContact O-N 3Å |
| 55 | N | 98.2 | Very high | 97.4 | Very high | 78 Ų | 78 | 101.4 Ų | 101.4 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 179.6 | -67.2 | -12.7 | 0 | 0 | 0 | 111.8 | E51 R52 L57 A58 E59 | E51-N55 VanDerWaalsContact O-CG 3.27Å; E51-N55 PolarHBondContact O-N 3.47Å; R52-N55 PolarHBondContact O-N 3.41Å; N55-L57 VanDerWaalsContact C-N 3.3Å; N55-L57 PolarHBondContact O-N 2.81Å; N55-A58 PolarHBondContact O-N 3.33Å; N55-E59 WeakPolarHBondContact O-CB 3.36Å; N55-E59 WeakPolarHBondContact O-CG 3.41Å; N55-E59 PolarHBondContact O-N 3.46Å |
| 56 | V | 98.3 | Very high | 97.7 | Very high | 89 Ų | 89 | 99.4 Ų | 99.4 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | R52 R53 T60 | R52-V56 WeakPolarHBondContact O-CG2 3.43Å; R52-V56 PolarHBondContact O-N 3.3Å; R53-V56 PolarHBondContact O-N 2.83Å; V56-T60 WeakPolarHBondContact O-CB 3.43Å; V56-T60 PolarHBondContact O-N 2.88Å; V56-T60 PolarHBondContact O-OG1 3.39Å |
| 57 | L | 98 | Very high | 97.9 | Very high | 89 Ų | 89 | 101.3 Ų | 101.3 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 175.9 | -72.9 | 171 | 0 | 0 | 0 | 111.5 | R53 S54 N55 E59 T60 I61 | R53-L57 HydrophobicContact CG-CD1 4.09Å; R53-L57 VanDerWaalsContact O-CG 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 2.78Å; S54-L57 PolarHBondContact O-N 2.81Å; N55-L57 VanDerWaalsContact C-N 3.3Å; N55-L57 PolarHBondContact O-N 2.81Å; L57-E59 PolarHBondContact O-N 3.2Å; L57-T60 PolarHBondContact O-N 3.5Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3.45Å |
| 58 | A | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 100.6 Ų | 100.6 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | S54 N55 T60 I61 N62 | S54-A58 WeakPolarHBondContact O-CB 3.36Å; S54-A58 PolarHBondContact O-N 3Å; N55-A58 PolarHBondContact O-N 3.33Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 PolarHBondContact O-N 3.25Å; A58-I61 PolarHBondContact O-N 2.88Å; A58-N62 WeakPolarHBondContact O-CB 3.29Å; A58-N62 PolarHBondContact O-N 3.38Å |
| 59 | E | 98.3 | Very high | 98.2 | Very high | 100 Ų | 100 | 102.2 Ų | 102.2 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 174.2 | -74.9 | -178.5 | -159.2 | 0 | 0 | 112.3 | N55 L57 N62 R63 | N55-E59 WeakPolarHBondContact O-CB 3.36Å; N55-E59 WeakPolarHBondContact O-CG 3.41Å; N55-E59 PolarHBondContact O-N 3.46Å; L57-E59 PolarHBondContact O-N 3.2Å; E59-N62 PolarHBondContact O-N 2.93Å; E59-R63 WeakPolarHBondContact O-CG 3.5Å; E59-R63 PolarHBondContact O-N 3.43Å; E59-R63 IonicContact OE2-CZ 3.63Å; E59-R63 IonicContact OE2-NH1 3.62Å; E59-R63 IonicContact OE2-NH2 2.81Å; E59-R63 PolarHBondContact OE2-NH2 3.46Å |
| 60 | T | 98.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 105.5 Ų | 105.5 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 178.6 | -58 | 0 | 0 | 0 | 0 | 111.1 | V56 L57 A58 R63 N64 | V56-T60 WeakPolarHBondContact O-CB 3.43Å; V56-T60 PolarHBondContact O-N 2.88Å; V56-T60 PolarHBondContact O-OG1 3.39Å; L57-T60 PolarHBondContact O-N 3.5Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 PolarHBondContact O-N 3.25Å; T60-R63 PolarHBondContact O-N 3.46Å; T60-N64 WeakPolarHBondContact O-CB 3.36Å; T60-N64 VanDerWaalsContact O-CG 3.23Å; T60-N64 PolarHBondContact O-N 2.99Å; T60-N64 PolarHBondContact O-ND2 2.99Å |
| 61 | I | 98.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 103.2 Ų | 103.2 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 174.7 | -69.5 | 165.9 | 0 | 0 | 0 | 109.9 | L57 A58 R63 N64 E65 | L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3.45Å; A58-I61 PolarHBondContact O-N 2.88Å; I61-R63 PolarHBondContact O-N 2.96Å; I61-N64 WeakPolarHBondContact O-CB 3.47Å; I61-N64 PolarHBondContact O-N 3.38Å; I61-N64 VanDerWaalsContact O-N 3.12Å; I61-E65 HydrophobicContact CG2-CG 4.33Å; I61-E65 WeakPolarHBondContact O-CG 3.29Å; I61-E65 PolarHBondContact O-N 3.5Å |
| 62 | N | 98.5 | Very high | 98.4 | Very high | 81 Ų | 81 | 104.5 Ų | 104.5 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 179.6 | -173.1 | -0.4 | 0 | 0 | 0 | 112 | A58 E59 N64 E65 Q66 | A58-N62 WeakPolarHBondContact O-CB 3.29Å; A58-N62 PolarHBondContact O-N 3.38Å; E59-N62 PolarHBondContact O-N 2.93Å; N62-N64 VanDerWaalsContact C-N 3.31Å; N62-N64 PolarHBondContact O-N 3.12Å; N62-E65 PolarHBondContact O-N 2.84Å; N62-Q66 VanDerWaalsContact O-CG 3.29Å; N62-Q66 WeakPolarHBondContact O-CG 3.41Å; N62-Q66 PolarHBondContact O-N 3.3Å; N62-Q66 PolarHBondContact OD1-NE2 3.27Å |
| 63 | R | 98.3 | Very high | 98.4 | Very high | 141 Ų | 141 | 100 Ų | 100 | 53% | 0.532 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 175.2 | -72.8 | -177.1 | -163.2 | 108.2 | 8 | 112 | E59 T60 I61 Q66 H67 | E59-R63 WeakPolarHBondContact O-CG 3.5Å; E59-R63 PolarHBondContact O-N 3.43Å; E59-R63 IonicContact OE2-CZ 3.63Å; E59-R63 IonicContact OE2-NH1 3.62Å; E59-R63 IonicContact OE2-NH2 2.81Å; E59-R63 PolarHBondContact OE2-NH2 3.46Å; T60-R63 PolarHBondContact O-N 3.46Å; I61-R63 PolarHBondContact O-N 2.96Å; R63-Q66 PolarHBondContact O-N 3.29Å; R63-H67 WeakPolarHBondContact O-CB 3.41Å; R63-H67 PolarHBondContact O-N 3.42Å |
| 64 | N | 98.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 97.9 Ų | 97.9 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 177.6 | -72.6 | -14.1 | 0 | 0 | 0 | 111.8 | T60 I61 N62 H67 V68 | T60-N64 WeakPolarHBondContact O-CB 3.36Å; T60-N64 VanDerWaalsContact O-CG 3.23Å; T60-N64 PolarHBondContact O-N 2.99Å; T60-N64 PolarHBondContact O-ND2 2.99Å; I61-N64 WeakPolarHBondContact O-CB 3.47Å; I61-N64 PolarHBondContact O-N 3.38Å; I61-N64 VanDerWaalsContact O-N 3.12Å; N62-N64 VanDerWaalsContact C-N 3.31Å; N62-N64 PolarHBondContact O-N 3.12Å; N64-H67 PolarHBondContact O-N 3.45Å; N64-V68 WeakPolarHBondContact O-CG2 3.34Å; N64-V68 PolarHBondContact O-N 3.45Å |
| 65 | E | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 97.7 Ų | 97.7 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 176 | -73.6 | 175.1 | 170.4 | 0 | 0 | 111.7 | I61 N62 H67 V68 H69 | I61-E65 HydrophobicContact CG2-CG 4.33Å; I61-E65 WeakPolarHBondContact O-CG 3.29Å; I61-E65 PolarHBondContact O-N 3.5Å; N62-E65 PolarHBondContact O-N 2.84Å; E65-H67 VanDerWaalsContact C-N 3.34Å; E65-H67 PolarHBondContact O-N 2.9Å; E65-V68 PolarHBondContact O-N 2.94Å; E65-H69 WeakPolarHBondContact O-CB 3.4Å; E65-H69 PolarHBondContact O-N 3.43Å |
| 66 | Q | 98.5 | Very high | 98.5 | Very high | 119 Ų | 119 | 99.2 Ų | 99.2 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 174.1 | -71.2 | 174.2 | 13 | 0 | 0 | 111.7 | N62 R63 H69 L70 | N62-Q66 VanDerWaalsContact O-CG 3.29Å; N62-Q66 WeakPolarHBondContact O-CG 3.41Å; N62-Q66 PolarHBondContact O-N 3.3Å; N62-Q66 PolarHBondContact OD1-NE2 3.27Å; R63-Q66 PolarHBondContact O-N 3.29Å; Q66-H69 PolarHBondContact O-N 2.93Å; Q66-L70 WeakPolarHBondContact O-CB 3.35Å; Q66-L70 PolarHBondContact O-N 3.49Å |
| 67 | H | 98.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 99.7 Ų | 99.7 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 176.9 | -177.1 | -91.2 | 0 | 0 | 0 | 111.7 | R63 N64 E65 H69 L70 V71 | R63-H67 WeakPolarHBondContact O-CB 3.41Å; R63-H67 PolarHBondContact O-N 3.42Å; N64-H67 PolarHBondContact O-N 3.45Å; E65-H67 VanDerWaalsContact C-N 3.34Å; E65-H67 PolarHBondContact O-N 2.9Å; H67-H69 VanDerWaalsContact C-N 3.33Å; H67-H69 PolarHBondContact O-N 3.29Å; H67-L70 PolarHBondContact O-N 2.86Å; H67-V71 WeakPolarHBondContact O-CG2 3.39Å; H67-V71 PolarHBondContact O-N 2.94Å |
| 68 | V | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 111 | N64 E65 V71 K72 | N64-V68 WeakPolarHBondContact O-CG2 3.34Å; N64-V68 PolarHBondContact O-N 3.45Å; E65-V68 PolarHBondContact O-N 2.94Å; V68-V71 PolarHBondContact O-N 3.31Å; V68-K72 HydrophobicContact CG1-CD 4.14Å; V68-K72 HydrophobicContact CG1-CG 4.49Å; V68-K72 WeakPolarHBondContact O-CB 3.47Å; V68-K72 WeakPolarHBondContact O-CG 3.35Å; V68-K72 PolarHBondContact O-N 2.88Å |
| 69 | H | 98.6 | Very high | 98.5 | Very high | 133 Ų | 133 | 102 Ų | 102 | 62% | 0.616 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 176.7 | -174.8 | -82.4 | 0 | 0 | 0 | 111.6 | E65 Q66 H67 K72 S73 | E65-H69 WeakPolarHBondContact O-CB 3.4Å; E65-H69 PolarHBondContact O-N 3.43Å; Q66-H69 PolarHBondContact O-N 2.93Å; H67-H69 VanDerWaalsContact C-N 3.33Å; H67-H69 PolarHBondContact O-N 3.29Å; H69-K72 PolarHBondContact O-N 2.93Å; H69-S73 WeakPolarHBondContact O-CB 3.45Å; H69-S73 PolarHBondContact O-N 3.35Å |
| 70 | L | 98.7 | Very high | 98.5 | Very high | 113 Ų | 113 | 102.8 Ų | 102.8 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -46.6 | 177.6 | -179.3 | 64.9 | 0 | 0 | 0 | 111.9 | Q66 H67 K72 S73 K74 | Q66-L70 WeakPolarHBondContact O-CB 3.35Å; Q66-L70 PolarHBondContact O-N 3.49Å; H67-L70 PolarHBondContact O-N 2.86Å; L70-K72 PolarHBondContact O-N 2.91Å; L70-S73 PolarHBondContact O-N 2.88Å; L70-K74 WeakPolarHBondContact O-CB 3.45Å; L70-K74 PolarHBondContact O-N 3.34Å |
| 71 | V | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 104.9 Ų | 104.9 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | H67 V68 K74 C75 | H67-V71 WeakPolarHBondContact O-CG2 3.39Å; H67-V71 PolarHBondContact O-N 2.94Å; V68-V71 PolarHBondContact O-N 3.31Å; V71-K74 PolarHBondContact O-N 2.88Å; V71-C75 WeakPolarHBondContact O-CB 3.46Å; V71-C75 PolarHBondContact O-N 2.96Å |
| 72 | K | 98.7 | Very high | 98.6 | Very high | 143 Ų | 143 | 106 Ų | 106 | 62% | 0.622 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 175.5 | -76.8 | 179.5 | 178.5 | -179.3 | 0 | 111.8 | V68 H69 L70 K74 C75 E76 | V68-K72 HydrophobicContact CG1-CD 4.14Å; V68-K72 HydrophobicContact CG1-CG 4.49Å; V68-K72 WeakPolarHBondContact O-CB 3.47Å; V68-K72 WeakPolarHBondContact O-CG 3.35Å; V68-K72 PolarHBondContact O-N 2.88Å; H69-K72 PolarHBondContact O-N 2.93Å; L70-K72 PolarHBondContact O-N 2.91Å; K72-K74 PolarHBondContact O-N 3.24Å; K72-C75 WeakPolarHBondContact O-CB 3.47Å; K72-C75 PolarHBondContact O-N 3.05Å; K72-E76 PolarHBondContact O-N 3.44Å |
| 73 | S | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 178.3 | 175 | 0 | 0 | 0 | 0 | 111.7 | H69 L70 C75 E76 Q77 | H69-S73 WeakPolarHBondContact O-CB 3.45Å; H69-S73 PolarHBondContact O-N 3.35Å; L70-S73 PolarHBondContact O-N 2.88Å; S73-C75 PolarHBondContact O-N 3.06Å; S73-E76 PolarHBondContact O-N 2.71Å; S73-Q77 WeakPolarHBondContact O-CB 3.39Å; S73-Q77 PolarHBondContact O-N 3.42Å |
| 74 | K | 98.7 | Very high | 98.6 | Very high | 135 Ų | 135 | 102.8 Ų | 102.8 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 176.7 | -170.4 | 176.1 | -177.7 | 179.5 | 0 | 112.2 | L70 V71 K72 E76 Q77 E78 | L70-K74 WeakPolarHBondContact O-CB 3.45Å; L70-K74 PolarHBondContact O-N 3.34Å; V71-K74 PolarHBondContact O-N 2.88Å; K72-K74 PolarHBondContact O-N 3.24Å; K74-E76 VanDerWaalsContact C-N 3.33Å; K74-Q77 PolarHBondContact O-N 3.38Å; K74-E78 WeakPolarHBondContact O-CG 3.46Å; K74-E78 PolarHBondContact O-N 2.94Å |
| 75 | C | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 106 Ų | 106 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | V71 K72 S73 E78 K79 | V71-C75 WeakPolarHBondContact O-CB 3.46Å; V71-C75 PolarHBondContact O-N 2.96Å; K72-C75 WeakPolarHBondContact O-CB 3.47Å; K72-C75 PolarHBondContact O-N 3.05Å; S73-C75 PolarHBondContact O-N 3.06Å; C75-E78 PolarHBondContact O-N 3.25Å; C75-K79 WeakPolarHBondContact O-CG 3.41Å; C75-K79 PolarHBondContact O-N 3.34Å |
| 76 | E | 98.5 | Very high | 98.6 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 178.6 | -159 | 58.4 | -152.3 | 0 | 0 | 112.1 | K72 S73 K74 E78 K79 E80 | K72-E76 PolarHBondContact O-N 3.44Å; S73-E76 PolarHBondContact O-N 2.71Å; K74-E76 VanDerWaalsContact C-N 3.33Å; E76-E78 VanDerWaalsContact C-N 3.35Å; E76-E78 PolarHBondContact O-N 3.49Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 2.95Å; E76-K79 IonicContact OE2-NZ 3.79Å; E76-K79 PolarHBondContact OE2-NZ 3.06Å; E76-E80 PolarHBondContact O-N 2.93Å |
| 77 | Q | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 102 Ų | 102 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 175.2 | -169.7 | -176.2 | 18.8 | 0 | 0 | 112.4 | S73 K74 E80 K81 | S73-Q77 WeakPolarHBondContact O-CB 3.39Å; S73-Q77 PolarHBondContact O-N 3.42Å; K74-Q77 PolarHBondContact O-N 3.38Å; Q77-E80 PolarHBondContact O-N 3.4Å; Q77-K81 WeakPolarHBondContact O-CG 3.36Å; Q77-K81 PolarHBondContact O-N 3.44Å |
| 78 | E | 98.5 | Very high | 98.6 | Very high | 85 Ų | 85 | 101.9 Ų | 101.9 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70 | -35.3 | 177.3 | -68.1 | -55.2 | 131.7 | 0 | 0 | 112.1 | K74 C75 E76 K81 L82 | K74-E78 WeakPolarHBondContact O-CG 3.46Å; K74-E78 PolarHBondContact O-N 2.94Å; C75-E78 PolarHBondContact O-N 3.25Å; E76-E78 VanDerWaalsContact C-N 3.35Å; E76-E78 PolarHBondContact O-N 3.49Å; E78-K81 PolarHBondContact O-N 3.46Å; E78-K81 IonicContact OE1-NZ 2.71Å; E78-K81 PolarHBondContact OE1-NZ 2.85Å; E78-L82 WeakPolarHBondContact O-CG 3.38Å; E78-L82 PolarHBondContact O-N 3.3Å |
| 79 | K | 98.7 | Very high | 98.6 | Very high | 106 Ų | 106 | 103 Ų | 103 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 171 | -72.7 | 176.2 | -172.7 | 169.8 | 0 | 111.5 | C75 E76 K81 L82 V83 | C75-K79 WeakPolarHBondContact O-CG 3.41Å; C75-K79 PolarHBondContact O-N 3.34Å; E76-K79 WeakPolarHBondContact O-CB 3.49Å; E76-K79 PolarHBondContact O-N 2.95Å; E76-K79 IonicContact OE2-NZ 3.79Å; E76-K79 PolarHBondContact OE2-NZ 3.06Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 PolarHBondContact O-N 3.02Å; K79-L82 PolarHBondContact O-N 3.26Å; K79-L82 VanDerWaalsContact O-N 3.16Å; K79-V83 WeakPolarHBondContact O-CG2 3.39Å; K79-V83 PolarHBondContact O-N 2.89Å |
| 80 | E | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 102.4 Ų | 102.4 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 178.1 | -174.6 | 178.9 | -169.5 | 0 | 0 | 111.2 | E76 Q77 L82 V83 N84 | E76-E80 PolarHBondContact O-N 2.93Å; Q77-E80 PolarHBondContact O-N 3.4Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.41Å; E80-V83 PolarHBondContact O-N 3.38Å; E80-N84 WeakPolarHBondContact O-CB 3.47Å; E80-N84 PolarHBondContact O-N 3.16Å; E80-N84 PolarHBondContact O-ND2 2.98Å |
| 81 | K | 98.6 | Very high | 98.6 | Very high | 102 Ų | 102 | 103 Ų | 103 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 174 | -72.7 | 173.2 | -173.5 | 170.3 | 0 | 112.6 | Q77 E78 K79 R85 | Q77-K81 WeakPolarHBondContact O-CG 3.36Å; Q77-K81 PolarHBondContact O-N 3.44Å; E78-K81 PolarHBondContact O-N 3.46Å; E78-K81 IonicContact OE1-NZ 2.71Å; E78-K81 PolarHBondContact OE1-NZ 2.85Å; K79-K81 VanDerWaalsContact C-N 3.33Å; K79-K81 PolarHBondContact O-N 3.02Å; K81-R85 VanDerWaalsContact O-CB 3.32Å; K81-R85 WeakPolarHBondContact O-CB 3.28Å; K81-R85 PolarHBondContact O-N 3.43Å |
| 82 | L | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 103.8 Ų | 103.8 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 178 | -72.7 | 174 | 0 | 0 | 0 | 111.9 | E78 K79 E80 S86 | E78-L82 WeakPolarHBondContact O-CG 3.38Å; E78-L82 PolarHBondContact O-N 3.3Å; K79-L82 PolarHBondContact O-N 3.26Å; K79-L82 VanDerWaalsContact O-N 3.16Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.41Å; L82-S86 WeakPolarHBondContact O-CB 3.32Å; L82-S86 PolarHBondContact O-N 2.9Å |
| 83 | V | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 101.9 Ų | 101.9 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | K79 E80 R85 S86 N87 | K79-V83 WeakPolarHBondContact O-CG2 3.39Å; K79-V83 PolarHBondContact O-N 2.89Å; E80-V83 PolarHBondContact O-N 3.38Å; V83-R85 PolarHBondContact O-N 3.16Å; V83-S86 WeakPolarHBondContact O-CB 3.29Å; V83-S86 PolarHBondContact O-N 3.01Å; V83-S86 VanDerWaalsContact O-N 3.15Å; V83-N87 VanDerWaalsContact O-CG 3.31Å; V83-N87 PolarHBondContact O-N 3.38Å; V83-N87 PolarHBondContact O-ND2 3.38Å |
| 84 | N | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 101.6 Ų | 101.6 | 40% | 0.396 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 179 | -69.6 | -15 | 0 | 0 | 0 | 111.4 | E80 S86 N87 E88 | E80-N84 WeakPolarHBondContact O-CB 3.47Å; E80-N84 PolarHBondContact O-N 3.16Å; E80-N84 PolarHBondContact O-ND2 2.98Å; N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact O-N 3.05Å; N84-N87 PolarHBondContact O-N 3.5Å; N84-N87 VanDerWaalsContact O-N 3.16Å; N84-E88 WeakPolarHBondContact O-CG 3.38Å; N84-E88 PolarHBondContact O-N 2.94Å |
| 85 | R | 98.6 | Very high | 98.5 | Very high | 166 Ų | 166 | 100.6 Ų | 100.6 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61 | -39.1 | 175.2 | -173.4 | 177.6 | -176.8 | -168.6 | 1 | 112.3 | K81 V83 L89 | K81-R85 VanDerWaalsContact O-CB 3.32Å; K81-R85 WeakPolarHBondContact O-CB 3.28Å; K81-R85 PolarHBondContact O-N 3.43Å; V83-R85 PolarHBondContact O-N 3.16Å; R85-L89 HydrophobicContact CG-CD1 4.36Å; R85-L89 VanDerWaalsContact O-CG 3.29Å; R85-L89 WeakPolarHBondContact O-CG 3.32Å; R85-L89 PolarHBondContact O-N 3.36Å |
| 86 | S | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 100.1 Ų | 100.1 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 176 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | L82 V83 N84 L89 M90 | L82-S86 WeakPolarHBondContact O-CB 3.32Å; L82-S86 PolarHBondContact O-N 2.9Å; V83-S86 WeakPolarHBondContact O-CB 3.29Å; V83-S86 PolarHBondContact O-N 3.01Å; V83-S86 VanDerWaalsContact O-N 3.15Å; N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact O-N 3.05Å; S86-L89 PolarHBondContact O-N 3.15Å; S86-M90 WeakPolarHBondContact O-CG 3.32Å; S86-M90 PolarHBondContact O-N 3.16Å |
| 87 | N | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 100.1 Ų | 100.1 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 178.7 | -68.7 | -20.1 | 0 | 0 | 0 | 111.4 | V83 N84 L89 M90 E91 | V83-N87 VanDerWaalsContact O-CG 3.31Å; V83-N87 PolarHBondContact O-N 3.38Å; V83-N87 PolarHBondContact O-ND2 3.38Å; N84-N87 PolarHBondContact O-N 3.5Å; N84-N87 VanDerWaalsContact O-N 3.16Å; N87-L89 VanDerWaalsContact C-N 3.31Å; N87-L89 PolarHBondContact O-N 3.45Å; N87-M90 PolarHBondContact O-N 3.47Å; N87-M90 VanDerWaalsContact O-N 3.16Å; N87-E91 PolarHBondContact O-N 2.79Å |
| 88 | E | 98.4 | Very high | 98.5 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.3 | -43.9 | 175 | -72.5 | 171.8 | -170.4 | 0 | 0 | 111.7 | N84 M90 E91 N92 | N84-E88 WeakPolarHBondContact O-CG 3.38Å; N84-E88 PolarHBondContact O-N 2.94Å; E88-M90 PolarHBondContact O-N 2.92Å; E88-E91 PolarHBondContact O-N 2.65Å; E88-N92 WeakPolarHBondContact O-CB 3.46Å; E88-N92 VanDerWaalsContact O-CG 3.3Å; E88-N92 PolarHBondContact O-N 3.3Å; E88-N92 PolarHBondContact O-ND2 3Å |
| 89 | L | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 99.7 Ų | 99.7 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.6 | -73.2 | 172.7 | 0 | 0 | 0 | 112.1 | R85 S86 N87 L93 | R85-L89 HydrophobicContact CG-CD1 4.36Å; R85-L89 VanDerWaalsContact O-CG 3.29Å; R85-L89 WeakPolarHBondContact O-CG 3.32Å; R85-L89 PolarHBondContact O-N 3.36Å; S86-L89 PolarHBondContact O-N 3.15Å; N87-L89 VanDerWaalsContact C-N 3.31Å; N87-L89 PolarHBondContact O-N 3.45Å; L89-L93 WeakPolarHBondContact O-CB 3.42Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.4Å; L89-L93 PolarHBondContact O-N 2.99Å |
| 90 | M | 98.4 | Very high | 98.5 | Very high | 122 Ų | 122 | 98.9 Ų | 98.9 | 60% | 0.601 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 177.6 | -75.1 | -62.5 | -60 | 0 | 0 | 112.2 | S86 N87 E88 L93 A94 | S86-M90 WeakPolarHBondContact O-CG 3.32Å; S86-M90 PolarHBondContact O-N 3.16Å; N87-M90 PolarHBondContact O-N 3.47Å; N87-M90 VanDerWaalsContact O-N 3.16Å; E88-M90 PolarHBondContact O-N 2.92Å; M90-L93 PolarHBondContact O-N 2.99Å; M90-A94 WeakPolarHBondContact O-CB 3.4Å; M90-A94 PolarHBondContact O-N 3Å |
| 91 | E | 98.3 | Very high | 98.5 | Very high | 126 Ų | 126 | 96.3 Ų | 96.3 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -49.1 | 176.2 | -174 | 170.6 | -157.4 | 0 | 0 | 111.1 | N87 E88 L93 A94 E95 | N87-E91 PolarHBondContact O-N 2.79Å; E88-E91 PolarHBondContact O-N 2.65Å; E91-L93 VanDerWaalsContact C-N 3.3Å; E91-L93 PolarHBondContact O-N 3.45Å; E91-A94 WeakPolarHBondContact O-CB 3.16Å; E91-A94 PolarHBondContact O-N 3.01Å; E91-A94 VanDerWaalsContact O-N 3.08Å; E91-E95 WeakPolarHBondContact O-CG 3.31Å; E91-E95 PolarHBondContact O-N 3.32Å |
| 92 | N | 98.5 | Very high | 98.6 | Very high | 95 Ų | 95 | 94.4 Ų | 94.4 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58 | -40.4 | 176.4 | -76.5 | -54.2 | 0 | 0 | 0 | 112.6 | E88 D96 | E88-N92 WeakPolarHBondContact O-CB 3.46Å; E88-N92 VanDerWaalsContact O-CG 3.3Å; E88-N92 PolarHBondContact O-N 3.3Å; E88-N92 PolarHBondContact O-ND2 3Å; N92-D96 WeakPolarHBondContact O-CB 3.34Å; N92-D96 PolarHBondContact O-N 3.44Å |
| 93 | L | 98.6 | Very high | 98.6 | Very high | 102 Ų | 102 | 94.1 Ų | 94.1 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 176.2 | -77.5 | 171.5 | 0 | 0 | 0 | 112 | L89 M90 E91 L97 | L89-L93 WeakPolarHBondContact O-CB 3.42Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.4Å; L89-L93 PolarHBondContact O-N 2.99Å; M90-L93 PolarHBondContact O-N 2.99Å; E91-L93 VanDerWaalsContact C-N 3.3Å; E91-L93 PolarHBondContact O-N 3.45Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 2.93Å |
| 94 | A | 98.4 | Very high | 98.6 | Very high | 60 Ų | 60 | 96.6 Ų | 96.6 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | M90 E91 L97 A98 | M90-A94 WeakPolarHBondContact O-CB 3.4Å; M90-A94 PolarHBondContact O-N 3Å; E91-A94 WeakPolarHBondContact O-CB 3.16Å; E91-A94 PolarHBondContact O-N 3.01Å; E91-A94 VanDerWaalsContact O-N 3.08Å; A94-L97 PolarHBondContact O-N 3.44Å; A94-A98 WeakPolarHBondContact O-CB 3.41Å; A94-A98 PolarHBondContact O-N 2.86Å |
| 95 | E | 98.5 | Very high | 98.6 | Very high | 115 Ų | 115 | 97.7 Ų | 97.7 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 176 | -70.9 | -173.9 | 175.1 | 0 | 0 | 112.4 | E91 L97 A98 Q99 | E91-E95 WeakPolarHBondContact O-CG 3.31Å; E91-E95 PolarHBondContact O-N 3.32Å; E95-L97 VanDerWaalsContact C-N 3.35Å; E95-L97 PolarHBondContact O-N 3.39Å; E95-A98 PolarHBondContact O-N 2.86Å; E95-Q99 WeakPolarHBondContact O-CB 3.47Å; E95-Q99 PolarHBondContact O-N 3.42Å |
| 96 | D | 98.6 | Very high | 98.6 | Very high | 54 Ų | 54 | 94.8 Ų | 94.8 | 29% | 0.289 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178.5 | 178.9 | 55.5 | 0 | 0 | 0 | 111.6 | N92 Q99 K100 | N92-D96 WeakPolarHBondContact O-CB 3.34Å; N92-D96 PolarHBondContact O-N 3.44Å; D96-Q99 PolarHBondContact O-N 3.46Å; D96-K100 WeakPolarHBondContact O-CB 3.46Å; D96-K100 VanDerWaalsContact O-CG 3.31Å; D96-K100 WeakPolarHBondContact O-CG 3.37Å; D96-K100 PolarHBondContact O-N 3.24Å; D96-K100 VanDerWaalsContact OD1-CE 3.32Å; D96-K100 WeakPolarHBondContact OD1-CE 3.49Å; D96-K100 IonicContact OD1-NZ 3.46Å; D96-K100 WeakPolarHBondContact OD2-CE 3.41Å; D96-K100 IonicContact OD2-NZ 3.34Å; D96-K100 PolarHBondContact OD2-NZ 3.08Å |
| 97 | L | 98.6 | Very high | 98.6 | Very high | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -44.7 | 174.6 | -76.9 | 175.2 | 0 | 0 | 0 | 111.9 | L93 A94 E95 K100 S101 | L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 2.93Å; A94-L97 PolarHBondContact O-N 3.44Å; E95-L97 VanDerWaalsContact C-N 3.35Å; E95-L97 PolarHBondContact O-N 3.39Å; L97-K100 PolarHBondContact O-N 2.93Å; L97-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 PolarHBondContact O-N 2.96Å |
| 98 | A | 98.5 | Very high | 98.6 | Very high | 61 Ų | 61 | 95.9 Ų | 95.9 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A94 E95 S101 S102 | A94-A98 WeakPolarHBondContact O-CB 3.41Å; A94-A98 PolarHBondContact O-N 2.86Å; E95-A98 PolarHBondContact O-N 2.86Å; A98-S101 PolarHBondContact O-N 3.2Å; A98-S102 WeakPolarHBondContact O-CB 3.34Å; A98-S102 PolarHBondContact O-N 2.95Å |
| 99 | Q | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 93.5 Ų | 93.5 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 178.9 | -162.9 | -169.6 | 20.5 | 0 | 0 | 112.1 | E95 D96 R103 | E95-Q99 WeakPolarHBondContact O-CB 3.47Å; E95-Q99 PolarHBondContact O-N 3.42Å; D96-Q99 PolarHBondContact O-N 3.46Å; Q99-R103 WeakPolarHBondContact O-CB 3.37Å; Q99-R103 WeakPolarHBondContact O-CG 3.44Å; Q99-R103 PolarHBondContact O-N 2.97Å; Q99-R103 PolarHBondContact O-NE 3.04Å; Q99-R103 VanDerWaalsContact OE1-NH2 3.14Å |
| 100 | K | 98.6 | Very high | 98.6 | Very high | 89 Ų | 89 | 96 Ų | 96 | 39% | 0.387 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 174 | -77.4 | 172.8 | 176.3 | 164.2 | 0 | 111.5 | D96 L97 R103 R104 | D96-K100 WeakPolarHBondContact O-CB 3.46Å; D96-K100 VanDerWaalsContact O-CG 3.31Å; D96-K100 WeakPolarHBondContact O-CG 3.37Å; D96-K100 PolarHBondContact O-N 3.24Å; D96-K100 VanDerWaalsContact OD1-CE 3.32Å; D96-K100 WeakPolarHBondContact OD1-CE 3.49Å; D96-K100 IonicContact OD1-NZ 3.46Å; D96-K100 WeakPolarHBondContact OD2-CE 3.41Å; D96-K100 IonicContact OD2-NZ 3.34Å; D96-K100 PolarHBondContact OD2-NZ 3.08Å; L97-K100 PolarHBondContact O-N 2.93Å; K100-R103 PolarHBondContact O-N 3.16Å; K100-R104 WeakPolarHBondContact O-CG 3.46Å; K100-R104 PolarHBondContact O-N 3.42Å |
| 101 | S | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 94.6 Ų | 94.6 | 44% | 0.441 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 175.6 | -161 | 0 | 0 | 0 | 0 | 111.7 | L97 A98 R103 R104 Q105 | L97-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 PolarHBondContact O-N 2.96Å; A98-S101 PolarHBondContact O-N 3.2Å; S101-R103 PolarHBondContact O-N 3.44Å; S101-R104 PolarHBondContact O-N 3.2Å; S101-Q105 PolarHBondContact O-N 2.89Å |
| 102 | S | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 92 Ų | 92 | 44% | 0.441 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | A98 R104 Q105 Q106 | A98-S102 WeakPolarHBondContact O-CB 3.34Å; A98-S102 PolarHBondContact O-N 2.95Å; S102-R104 PolarHBondContact O-N 3.45Å; S102-Q105 PolarHBondContact O-N 3.27Å; S102-Q106 WeakPolarHBondContact O-CG 3.39Å; S102-Q106 PolarHBondContact O-N 3.15Å |
| 103 | R | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 91.5 Ų | 91.5 | 42% | 0.415 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 176.2 | -78.2 | -178.3 | -83.4 | -169.2 | -6.8 | 112.6 | Q99 K100 S101 Q106 I107 | Q99-R103 WeakPolarHBondContact O-CB 3.37Å; Q99-R103 WeakPolarHBondContact O-CG 3.44Å; Q99-R103 PolarHBondContact O-N 2.97Å; Q99-R103 PolarHBondContact O-NE 3.04Å; Q99-R103 VanDerWaalsContact OE1-NH2 3.14Å; K100-R103 PolarHBondContact O-N 3.16Å; S101-R103 PolarHBondContact O-N 3.44Å; R103-Q106 PolarHBondContact O-N 3.15Å; R103-I107 WeakPolarHBondContact O-CG1 3.48Å; R103-I107 PolarHBondContact O-N 3.42Å; R103-I107 VanDerWaalsContact O-N 3.15Å |
| 104 | R | 98.7 | Very high | 98.6 | Very high | 134 Ų | 134 | 89.4 Ų | 89.4 | 51% | 0.506 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 175.5 | -73.7 | -173.1 | -61.8 | -95.3 | 0.8 | 111.5 | K100 S101 S102 Q106 I107 I108 | K100-R104 WeakPolarHBondContact O-CG 3.46Å; K100-R104 PolarHBondContact O-N 3.42Å; S101-R104 PolarHBondContact O-N 3.2Å; S102-R104 PolarHBondContact O-N 3.45Å; R104-Q106 VanDerWaalsContact C-N 3.33Å; R104-Q106 PolarHBondContact O-N 2.98Å; R104-I107 PolarHBondContact O-N 3.42Å; R104-I107 VanDerWaalsContact O-N 3.16Å; R104-I108 WeakPolarHBondContact O-CG1 3.4Å; R104-I108 PolarHBondContact O-N 2.89Å |
| 105 | Q | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 90.6 Ų | 90.6 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 178.4 | -169.7 | 58.8 | 48.3 | 0 | 0 | 111.3 | S101 S102 I107 I108 D109 | S101-Q105 PolarHBondContact O-N 2.89Å; S102-Q105 PolarHBondContact O-N 3.27Å; Q105-I107 VanDerWaalsContact C-N 3.3Å; Q105-I107 PolarHBondContact O-N 3.46Å; Q105-I108 PolarHBondContact O-N 3.31Å; Q105-D109 PolarHBondContact NE2-OD1 3.02Å; Q105-D109 WeakPolarHBondContact O-CB 3.48Å; Q105-D109 PolarHBondContact O-N 3.06Å |
| 106 | Q | 98.7 | Very high | 98.6 | Very high | 105 Ų | 105 | 91.4 Ų | 91.4 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 175.9 | -70.4 | 174.6 | 10.8 | 0 | 0 | 113.1 | S102 R103 R104 K110 | S102-Q106 WeakPolarHBondContact O-CG 3.39Å; S102-Q106 PolarHBondContact O-N 3.15Å; R103-Q106 PolarHBondContact O-N 3.15Å; R104-Q106 VanDerWaalsContact C-N 3.33Å; R104-Q106 PolarHBondContact O-N 2.98Å; Q106-K110 VanDerWaalsContact O-CG 3.28Å; Q106-K110 WeakPolarHBondContact O-CG 3.28Å; Q106-K110 PolarHBondContact O-N 3.25Å |
| 107 | I | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 95.9 Ų | 95.9 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.5 | -46.1 | 176.3 | -67.2 | 165.4 | 0 | 0 | 0 | 110.3 | R103 R104 Q105 D109 K110 I111 | R103-I107 WeakPolarHBondContact O-CG1 3.48Å; R103-I107 PolarHBondContact O-N 3.42Å; R103-I107 VanDerWaalsContact O-N 3.15Å; R104-I107 PolarHBondContact O-N 3.42Å; R104-I107 VanDerWaalsContact O-N 3.16Å; Q105-I107 VanDerWaalsContact C-N 3.3Å; Q105-I107 PolarHBondContact O-N 3.46Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-D109 PolarHBondContact O-N 2.83Å; I107-K110 WeakPolarHBondContact O-CB 3.34Å; I107-K110 PolarHBondContact O-N 3.18Å; I107-I111 HydrophobicContact CG2-CD1 3.99Å; I107-I111 WeakPolarHBondContact O-CG1 3.49Å; I107-I111 PolarHBondContact O-N 3.43Å |
| 108 | I | 98.7 | Very high | 98.5 | Very high | 81 Ų | 81 | 96.2 Ų | 96.2 | 42% | 0.415 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 177 | -69.8 | 167.6 | 0 | 0 | 0 | 110.2 | R104 Q105 K110 I111 I112 | R104-I108 WeakPolarHBondContact O-CG1 3.4Å; R104-I108 PolarHBondContact O-N 2.89Å; Q105-I108 PolarHBondContact O-N 3.31Å; I108-K110 VanDerWaalsContact C-N 3.31Å; I108-K110 PolarHBondContact O-N 2.87Å; I108-I111 PolarHBondContact O-N 2.91Å; I108-I111 VanDerWaalsContact O-N 3.15Å; I108-I112 HydrophobicContact CG2-CD1 3.61Å; I108-I112 HydrophobicContact CG2-CG1 4.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.47Å; I108-I112 PolarHBondContact O-N 3.37Å |
| 109 | D | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 97.1 Ų | 97.1 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 179.6 | -66.3 | -20.7 | 0 | 0 | 0 | 111.7 | Q105 I107 I112 N113 | Q105-D109 PolarHBondContact NE2-OD1 3.02Å; Q105-D109 WeakPolarHBondContact O-CB 3.48Å; Q105-D109 PolarHBondContact O-N 3.06Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-D109 PolarHBondContact O-N 2.83Å; D109-I112 PolarHBondContact O-N 2.95Å; D109-N113 VanDerWaalsContact O-CB 3.23Å; D109-N113 WeakPolarHBondContact O-CB 3.35Å; D109-N113 PolarHBondContact O-N 3.43Å; D109-N113 PolarHBondContact O-ND2 2.94Å; D109-N113 VanDerWaalsContact O-ND2 3.12Å |
| 110 | K | 98.6 | Very high | 98.5 | Very high | 148 Ų | 148 | 96.4 Ų | 96.4 | 64% | 0.643 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 173.6 | -77.1 | 173.5 | -178.5 | 179.5 | 0 | 111.8 | Q106 I107 I108 N113 S114 | Q106-K110 VanDerWaalsContact O-CG 3.28Å; Q106-K110 WeakPolarHBondContact O-CG 3.28Å; Q106-K110 PolarHBondContact O-N 3.25Å; I107-K110 WeakPolarHBondContact O-CB 3.34Å; I107-K110 PolarHBondContact O-N 3.18Å; I108-K110 VanDerWaalsContact C-N 3.31Å; I108-K110 PolarHBondContact O-N 2.87Å; K110-N113 PolarHBondContact O-N 2.88Å; K110-S114 WeakPolarHBondContact O-CB 3.4Å; K110-S114 PolarHBondContact O-N 3.49Å |
| 111 | I | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 178 | -66.6 | 166.4 | 0 | 0 | 0 | 110.2 | I107 I108 N113 S114 N115 | I107-I111 HydrophobicContact CG2-CD1 3.99Å; I107-I111 WeakPolarHBondContact O-CG1 3.49Å; I107-I111 PolarHBondContact O-N 3.43Å; I108-I111 PolarHBondContact O-N 2.91Å; I108-I111 VanDerWaalsContact O-N 3.15Å; I111-N113 VanDerWaalsContact C-N 3.31Å; I111-N113 PolarHBondContact O-N 3.39Å; I111-S114 PolarHBondContact O-N 3.18Å; I111-N115 VanDerWaalsContact O-CG 3.31Å; I111-N115 PolarHBondContact O-N 3.38Å; I111-N115 PolarHBondContact O-OD1 2.94Å |
| 112 | I | 98.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 98.5 Ų | 98.5 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 178 | -71.1 | 172.8 | 0 | 0 | 0 | 110.5 | I108 D109 S114 N115 K116 | I108-I112 HydrophobicContact CG2-CD1 3.61Å; I108-I112 HydrophobicContact CG2-CG1 4.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.47Å; I108-I112 PolarHBondContact O-N 3.37Å; D109-I112 PolarHBondContact O-N 2.95Å; I112-S114 PolarHBondContact O-N 2.85Å; I112-N115 PolarHBondContact O-N 2.88Å; I112-K116 HydrophobicContact CG2-CD 4.05Å; I112-K116 HydrophobicContact CG2-CG 4.41Å; I112-K116 WeakPolarHBondContact O-CB 3.23Å; I112-K116 VanDerWaalsContact O-CG 3.3Å; I112-K116 WeakPolarHBondContact O-CG 3.3Å; I112-K116 PolarHBondContact O-N 3.49Å |
| 113 | N | 98.5 | Very high | 98.2 | Very high | 86 Ų | 86 | 101 Ų | 101 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.6 | -34.9 | -179.8 | -72.7 | -26.1 | 0 | 0 | 0 | 112.5 | D109 K110 I111 K117 | D109-N113 VanDerWaalsContact O-CB 3.23Å; D109-N113 WeakPolarHBondContact O-CB 3.35Å; D109-N113 PolarHBondContact O-N 3.43Å; D109-N113 PolarHBondContact O-ND2 2.94Å; D109-N113 VanDerWaalsContact O-ND2 3.12Å; K110-N113 PolarHBondContact O-N 2.88Å; I111-N113 VanDerWaalsContact C-N 3.31Å; I111-N113 PolarHBondContact O-N 3.39Å; N113-K117 WeakPolarHBondContact O-CG 3.35Å; N113-K117 PolarHBondContact O-N 3.45Å |
| 114 | S | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 100.9 Ų | 100.9 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -51.1 | 172.5 | -165.2 | 0 | 0 | 0 | 0 | 111.1 | K110 I111 I112 K116 K117 E118 | K110-S114 WeakPolarHBondContact O-CB 3.4Å; K110-S114 PolarHBondContact O-N 3.49Å; I111-S114 PolarHBondContact O-N 3.18Å; I112-S114 PolarHBondContact O-N 2.85Å; S114-K116 VanDerWaalsContact C-N 3.32Å; S114-K116 PolarHBondContact O-N 3.12Å; S114-K117 WeakPolarHBondContact O-CB 3.37Å; S114-K117 PolarHBondContact O-N 3.05Å; S114-E118 PolarHBondContact O-N 3.04Å |
| 115 | N | 98.4 | Very high | 97.9 | Very high | 84 Ų | 84 | 99.5 Ų | 99.5 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | -179 | -67.5 | -0.7 | 0 | 0 | 0 | 111.7 | I111 I112 K117 E118 V119 | I111-N115 VanDerWaalsContact O-CG 3.31Å; I111-N115 PolarHBondContact O-N 3.38Å; I111-N115 PolarHBondContact O-OD1 2.94Å; I112-N115 PolarHBondContact O-N 2.88Å; N115-K117 VanDerWaalsContact C-N 3.31Å; N115-K117 PolarHBondContact O-N 3.04Å; N115-E118 PolarHBondContact O-N 3.4Å; N115-V119 WeakPolarHBondContact O-CG2 3.43Å; N115-V119 PolarHBondContact O-N 2.9Å |
| 116 | K | 98.3 | Very high | 97.7 | Very high | 133 Ų | 133 | 97.5 Ų | 97.5 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.3 | -43.4 | 172.9 | -79.6 | 177 | 178.6 | 177.6 | 0 | 111.9 | I112 S114 V119 E120 | I112-K116 HydrophobicContact CG2-CD 4.05Å; I112-K116 HydrophobicContact CG2-CG 4.41Å; I112-K116 WeakPolarHBondContact O-CB 3.23Å; I112-K116 VanDerWaalsContact O-CG 3.3Å; I112-K116 WeakPolarHBondContact O-CG 3.3Å; I112-K116 PolarHBondContact O-N 3.49Å; S114-K116 VanDerWaalsContact C-N 3.32Å; S114-K116 PolarHBondContact O-N 3.12Å; K116-V119 PolarHBondContact O-N 2.97Å; K116-E120 WeakPolarHBondContact O-CB 3.31Å; K116-E120 PolarHBondContact O-N 3.29Å |
| 117 | K | 98.1 | Very high | 97.4 | Very high | 148 Ų | 148 | 97.8 Ų | 97.8 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -38.2 | 177.3 | -71.5 | 175 | -177.8 | -177.2 | 0 | 112.1 | N113 S114 N115 K121 | N113-K117 WeakPolarHBondContact O-CG 3.35Å; N113-K117 PolarHBondContact O-N 3.45Å; S114-K117 WeakPolarHBondContact O-CB 3.37Å; S114-K117 PolarHBondContact O-N 3.05Å; N115-K117 VanDerWaalsContact C-N 3.31Å; N115-K117 PolarHBondContact O-N 3.04Å; K117-K121 VanDerWaalsContact O-CG 3.31Å; K117-K121 WeakPolarHBondContact O-CG 3.41Å; K117-K121 PolarHBondContact O-N 3.21Å |
| 118 | E | 97.8 | Very high | 97.1 | Very high | 117 Ų | 117 | 96.1 Ų | 96.1 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.6 | -70.2 | -178.3 | 179.3 | 0 | 0 | 112.2 | S114 N115 E120 K121 A122 | S114-E118 PolarHBondContact O-N 3.04Å; N115-E118 PolarHBondContact O-N 3.4Å; E118-E120 VanDerWaalsContact C-N 3.32Å; E118-E120 PolarHBondContact O-N 3.24Å; E118-K121 PolarHBondContact O-N 3.35Å; E118-A122 PolarHBondContact O-N 3.46Å |
| 119 | V | 97.9 | Very high | 96.7 | Very high | 81 Ų | 81 | 101.1 Ų | 101.1 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | N115 K116 K121 A122 K123 | N115-V119 WeakPolarHBondContact O-CG2 3.43Å; N115-V119 PolarHBondContact O-N 2.9Å; K116-V119 PolarHBondContact O-N 2.97Å; V119-K121 PolarHBondContact O-N 3.41Å; V119-A122 PolarHBondContact O-N 3.49Å; V119-K123 WeakPolarHBondContact O-CG 3.37Å; V119-K123 PolarHBondContact O-N 3.03Å |
| 120 | E | 98 | Very high | 96.3 | Very high | 98 Ų | 98 | 100.5 Ų | 100.5 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 178.3 | -166.3 | 58.9 | -156.7 | 0 | 0 | 111.9 | K116 E118 A122 K123 L124 | K116-E120 WeakPolarHBondContact O-CB 3.31Å; K116-E120 PolarHBondContact O-N 3.29Å; E118-E120 VanDerWaalsContact C-N 3.32Å; E118-E120 PolarHBondContact O-N 3.24Å; E120-A122 VanDerWaalsContact C-N 3.32Å; E120-A122 PolarHBondContact O-N 2.97Å; E120-K123 PolarHBondContact O-N 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.49Å; E120-L124 PolarHBondContact O-N 3.03Å |
| 121 | K | 97.5 | Very high | 95.9 | Very high | 138 Ų | 138 | 97 Ų | 97 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 172.4 | -72.8 | 173.3 | -178.6 | -178.2 | 0 | 112 | K117 E118 V119 K123 L124 L125 | K117-K121 VanDerWaalsContact O-CG 3.31Å; K117-K121 WeakPolarHBondContact O-CG 3.41Å; K117-K121 PolarHBondContact O-N 3.21Å; E118-K121 PolarHBondContact O-N 3.35Å; V119-K121 PolarHBondContact O-N 3.41Å; K121-K123 VanDerWaalsContact C-N 3.35Å; K121-L124 PolarHBondContact O-N 3.43Å; K121-L125 WeakPolarHBondContact O-CG 3.45Å; K121-L125 PolarHBondContact O-N 3.2Å |
| 122 | A | 96.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 96.3 Ų | 96.3 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E118 V119 E120 L125 A126 | E118-A122 PolarHBondContact O-N 3.46Å; V119-A122 PolarHBondContact O-N 3.49Å; E120-A122 VanDerWaalsContact C-N 3.32Å; E120-A122 PolarHBondContact O-N 2.97Å; A122-L125 PolarHBondContact O-N 3.02Å; A122-A126 WeakPolarHBondContact O-CB 3.46Å; A122-A126 PolarHBondContact O-N 3.4Å |
| 123 | K | 96.5 | Very high | 95.2 | Very high | 116 Ų | 116 | 99.1 Ų | 99.1 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 173.8 | -73 | 178.2 | 179.5 | 179.3 | 0 | 111.8 | V119 E120 K121 L125 A126 D127 | V119-K123 WeakPolarHBondContact O-CG 3.37Å; V119-K123 PolarHBondContact O-N 3.03Å; E120-K123 PolarHBondContact O-N 3.3Å; K121-K123 VanDerWaalsContact C-N 3.35Å; K123-L125 VanDerWaalsContact C-N 3.26Å; K123-L125 PolarHBondContact O-N 3.26Å; K123-A126 WeakPolarHBondContact O-CB 3.24Å; K123-A126 PolarHBondContact O-N 2.97Å; K123-D127 PolarHBondContact O-N 3.25Å |
| 124 | L | 95.7 | Very high | 94.8 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.5 | -39.6 | 177.9 | -69.9 | 172.9 | 0 | 0 | 0 | 112.3 | E120 K121 A128 | E120-L124 WeakPolarHBondContact O-CG 3.49Å; E120-L124 PolarHBondContact O-N 3.03Å; K121-L124 PolarHBondContact O-N 3.43Å; L124-A128 VanDerWaalsContact O-CB 3.24Å; L124-A128 WeakPolarHBondContact O-CB 3.41Å; L124-A128 PolarHBondContact O-N 2.95Å |
| 125 | L | 94.5 | Very high | 94.6 | Very high | 105 Ų | 105 | 97.9 Ų | 97.9 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 175.7 | -72.8 | 172.4 | 0 | 0 | 0 | 112.9 | K121 A122 K123 R129 | K121-L125 WeakPolarHBondContact O-CG 3.45Å; K121-L125 PolarHBondContact O-N 3.2Å; A122-L125 PolarHBondContact O-N 3.02Å; K123-L125 VanDerWaalsContact C-N 3.26Å; K123-L125 PolarHBondContact O-N 3.26Å; L125-R129 VanDerWaalsContact O-CG 3.29Å; L125-R129 WeakPolarHBondContact O-CG 3.39Å; L125-R129 PolarHBondContact O-N 3.47Å |
| 126 | A | 94.5 | Very high | 94.4 | Very high | 56 Ų | 56 | 98.4 Ų | 98.4 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A122 K123 A128 R129 A130 | A122-A126 WeakPolarHBondContact O-CB 3.46Å; A122-A126 PolarHBondContact O-N 3.4Å; K123-A126 WeakPolarHBondContact O-CB 3.24Å; K123-A126 PolarHBondContact O-N 2.97Å; A126-A128 PolarHBondContact O-N 2.99Å; A126-R129 PolarHBondContact O-N 3.36Å; A126-R129 VanDerWaalsContact O-N 3.14Å; A126-A130 PolarHBondContact O-N 3.48Å |
| 127 | D | 93 | Very high | 94.3 | Very high | 110 Ų | 110 | 97.3 Ų | 97.3 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 178.3 | -66.9 | -21.1 | 0 | 0 | 0 | 111.4 | K123 R129 A130 S131 | K123-D127 PolarHBondContact O-N 3.25Å; D127-R129 PolarHBondContact O-N 3.14Å; D127-A130 PolarHBondContact O-N 2.91Å; D127-S131 PolarHBondContact O-N 3.44Å |
| 128 | A | 91.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 98 Ų | 98 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -26.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L124 A126 P132 | L124-A128 VanDerWaalsContact O-CB 3.24Å; L124-A128 WeakPolarHBondContact O-CB 3.41Å; L124-A128 PolarHBondContact O-N 2.95Å; A126-A128 PolarHBondContact O-N 2.99Å; A128-P132 WeakPolarHBondContact O-CD 3.29Å; A128-P132 WeakPolarHBondContact O-CG 3.43Å |
| 129 | R | 90.3 | Very high | 94.1 | Very high | 187 Ų | 187 | 98 Ų | 98 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -84 | -35.7 | 175 | -73.6 | 173 | 179.6 | -177.3 | 0.9 | 112.7 | L125 A126 D127 S131 P132 Q133 | L125-R129 VanDerWaalsContact O-CG 3.29Å; L125-R129 WeakPolarHBondContact O-CG 3.39Å; L125-R129 PolarHBondContact O-N 3.47Å; A126-R129 PolarHBondContact O-N 3.36Å; A126-R129 VanDerWaalsContact O-N 3.14Å; D127-R129 PolarHBondContact O-N 3.14Å; R129-S131 PolarHBondContact O-N 3.19Å; R129-P132 WeakPolarHBondContact O-CD 3.46Å; R129-Q133 WeakPolarHBondContact O-CB 3.44Å; R129-Q133 PolarHBondContact O-N 3.26Å |
| 130 | A | 91.2 | Very high | 94.1 | Very high | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -35.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A126 D127 S134 | A126-A130 PolarHBondContact O-N 3.48Å; D127-A130 PolarHBondContact O-N 2.91Å; A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 3.01Å; A130-S134 PolarHBondContact O-OG 3.04Å |
| 131 | S | 89.2 | Confident | 94.1 | Very high | 74 Ų | 74 | 98.2 Ų | 98.2 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -49.9 | -178.3 | 171.4 | 0 | 0 | 0 | 0 | 113.8 | D127 R129 Q133 S134 T135 | D127-S131 PolarHBondContact O-N 3.44Å; R129-S131 PolarHBondContact O-N 3.19Å; S131-Q133 VanDerWaalsContact C-N 3.33Å; S131-Q133 PolarHBondContact O-N 3.29Å; S131-S134 PolarHBondContact O-N 2.89Å; S131-S134 PolarHBondContact O-OG 3.31Å; S131-T135 WeakPolarHBondContact O-CB 2.95Å; S131-T135 PolarHBondContact O-N 2.91Å; S131-T135 PolarHBondContact O-OG1 2.87Å |
| 132 | P | 91.3 | Very high | 94.1 | Very high | 79 Ų | 79 | 95.5 Ų | 95.5 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 174 | -24.2 | 34.2 | 0 | 0 | 0 | 112.7 | A128 R129 T135 L136 | A128-P132 WeakPolarHBondContact O-CD 3.29Å; A128-P132 WeakPolarHBondContact O-CG 3.43Å; R129-P132 WeakPolarHBondContact O-CD 3.46Å; P132-T135 PolarHBondContact O-N 3.07Å; P132-L136 WeakPolarHBondContact O-CB 3.43Å; P132-L136 PolarHBondContact O-N 3.48Å |
| 133 | Q | 91.9 | Very high | 94.2 | Very high | 130 Ų | 130 | 96.2 Ų | 96.2 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -43.9 | -179.8 | -170.6 | 176.1 | 5.4 | 0 | 0 | 111.8 | R129 S131 T135 L136 L137 | R129-Q133 WeakPolarHBondContact O-CB 3.44Å; R129-Q133 PolarHBondContact O-N 3.26Å; S131-Q133 VanDerWaalsContact C-N 3.33Å; S131-Q133 PolarHBondContact O-N 3.29Å; Q133-T135 VanDerWaalsContact C-N 3.32Å; Q133-T135 PolarHBondContact O-N 2.96Å; Q133-L136 PolarHBondContact O-N 3.3Å; Q133-L137 HydrophobicContact CG-CD1 4.49Å; Q133-L137 WeakPolarHBondContact O-CG 3.34Å; Q133-L137 PolarHBondContact O-N 3.49Å |
| 134 | S | 90.3 | Very high | 94.3 | Very high | 69 Ų | 69 | 95.7 Ų | 95.7 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 175.3 | 60.3 | 0 | 0 | 0 | 0 | 112 | A130 S131 L137 R138 | A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 3.01Å; A130-S134 PolarHBondContact O-OG 3.04Å; S131-S134 PolarHBondContact O-N 2.89Å; S131-S134 PolarHBondContact O-OG 3.31Å; S134-L137 PolarHBondContact O-N 2.95Å; S134-R138 PolarHBondContact O-N 3.38Å |
| 135 | T | 93.4 | Very high | 94.4 | Very high | 50 Ų | 50 | 93.2 Ų | 93.2 | 31% | 0.307 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | S131 P132 Q133 R138 Q139 | S131-T135 WeakPolarHBondContact O-CB 2.95Å; S131-T135 PolarHBondContact O-N 2.91Å; S131-T135 PolarHBondContact O-OG1 2.87Å; P132-T135 PolarHBondContact O-N 3.07Å; Q133-T135 VanDerWaalsContact C-N 3.32Å; Q133-T135 PolarHBondContact O-N 2.96Å; T135-R138 PolarHBondContact O-N 3.4Å; T135-Q139 WeakPolarHBondContact O-CG 3.35Å; T135-Q139 PolarHBondContact O-N 2.96Å |
| 136 | L | 94.8 | Very high | 94.5 | Very high | 95 Ų | 95 | 92.5 Ų | 92.5 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 178.1 | 180 | 63.2 | 0 | 0 | 0 | 111.7 | P132 Q133 R138 Q139 I140 | P132-L136 WeakPolarHBondContact O-CB 3.43Å; P132-L136 PolarHBondContact O-N 3.48Å; Q133-L136 PolarHBondContact O-N 3.3Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 3.49Å; L136-Q139 PolarHBondContact O-N 3.06Å; L136-I140 HydrophobicContact CD1-CD1 4.33Å; L136-I140 HydrophobicContact CD1-CG1 4.44Å; L136-I140 HydrophobicContact CG-CD1 4.03Å; L136-I140 WeakPolarHBondContact O-CG1 3.23Å; L136-I140 PolarHBondContact O-N 3.47Å |
| 137 | L | 95.5 | Very high | 94.7 | Very high | 109 Ų | 109 | 95.7 Ų | 95.7 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 176 | -74.1 | 171.7 | 0 | 0 | 0 | 111.8 | Q133 S134 I140 N141 | Q133-L137 HydrophobicContact CG-CD1 4.49Å; Q133-L137 WeakPolarHBondContact O-CG 3.34Å; Q133-L137 PolarHBondContact O-N 3.49Å; S134-L137 PolarHBondContact O-N 2.95Å; L137-I140 PolarHBondContact O-N 2.91Å; L137-N141 WeakPolarHBondContact O-CB 3.39Å; L137-N141 PolarHBondContact O-N 3.47Å |
| 138 | R | 95.7 | Very high | 94.9 | Very high | 164 Ų | 164 | 93.4 Ų | 93.4 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -46.2 | 174.1 | -172.5 | 177.9 | 65.9 | 178.5 | -0.1 | 111.6 | S134 T135 L136 I140 N141 D142 | S134-R138 PolarHBondContact O-N 3.38Å; T135-R138 PolarHBondContact O-N 3.4Å; L136-R138 VanDerWaalsContact C-N 3.29Å; L136-R138 PolarHBondContact O-N 3.49Å; R138-I140 VanDerWaalsContact C-N 3.34Å; R138-I140 PolarHBondContact O-N 3.42Å; R138-N141 WeakPolarHBondContact O-CB 3.47Å; R138-N141 PolarHBondContact O-N 2.68Å; R138-D142 VanDerWaalsContact O-CG 3.27Å; R138-D142 PolarHBondContact O-N 2.9Å |
| 139 | Q | 97.1 | Very high | 95.2 | Very high | 115 Ų | 115 | 93.7 Ų | 93.7 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 177.7 | -74.3 | 174 | -14.3 | 0 | 0 | 112.6 | T135 L136 N141 D142 D143 | T135-Q139 WeakPolarHBondContact O-CG 3.35Å; T135-Q139 PolarHBondContact O-N 2.96Å; L136-Q139 PolarHBondContact O-N 3.06Å; Q139-N141 VanDerWaalsContact C-N 3.34Å; Q139-D142 PolarHBondContact O-N 3.18Å; Q139-D143 WeakPolarHBondContact O-CB 3.39Å; Q139-D143 PolarHBondContact O-N 2.96Å |
| 140 | I | 97.5 | Very high | 95.6 | Very high | 82 Ų | 82 | 90.2 Ų | 90.2 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.6 | -69.1 | 166.5 | 0 | 0 | 0 | 110.4 | L136 L137 R138 D142 D143 L144 | L136-I140 HydrophobicContact CD1-CD1 4.33Å; L136-I140 HydrophobicContact CD1-CG1 4.44Å; L136-I140 HydrophobicContact CG-CD1 4.03Å; L136-I140 WeakPolarHBondContact O-CG1 3.23Å; L136-I140 PolarHBondContact O-N 3.47Å; L137-I140 PolarHBondContact O-N 2.91Å; R138-I140 VanDerWaalsContact C-N 3.34Å; R138-I140 PolarHBondContact O-N 3.42Å; I140-D142 PolarHBondContact O-N 3.2Å; I140-D143 PolarHBondContact O-N 3.41Å; I140-L144 HydrophobicContact CG2-CD1 3.97Å; I140-L144 HydrophobicContact CG2-CG 4.38Å; I140-L144 WeakPolarHBondContact O-CB 3.31Å; I140-L144 VanDerWaalsContact O-CG 3.31Å; I140-L144 WeakPolarHBondContact O-CG 3.49Å; I140-L144 PolarHBondContact O-N 3.04Å |
| 141 | N | 97.7 | Very high | 95.9 | Very high | 103 Ų | 103 | 93.7 Ų | 93.7 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 179 | -174.2 | 76.3 | 0 | 0 | 0 | 112.1 | L137 R138 Q139 L144 S145 | L137-N141 WeakPolarHBondContact O-CB 3.39Å; L137-N141 PolarHBondContact O-N 3.47Å; R138-N141 WeakPolarHBondContact O-CB 3.47Å; R138-N141 PolarHBondContact O-N 2.68Å; Q139-N141 VanDerWaalsContact C-N 3.34Å; N141-L144 PolarHBondContact O-N 3.41Å; N141-S145 WeakPolarHBondContact O-CB 3.47Å; N141-S145 PolarHBondContact O-N 2.97Å |
| 142 | D | 97.7 | Very high | 96.3 | Very high | 80 Ų | 80 | 95.6 Ų | 95.6 | 43% | 0.428 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 177.4 | -65.3 | -19.1 | 0 | 0 | 0 | 111.3 | R138 Q139 I140 S145 N146 | R138-D142 VanDerWaalsContact O-CG 3.27Å; R138-D142 PolarHBondContact O-N 2.9Å; Q139-D142 PolarHBondContact O-N 3.18Å; I140-D142 PolarHBondContact O-N 3.2Å; D142-S145 PolarHBondContact O-N 3.32Å; D142-N146 WeakPolarHBondContact O-CB 3.47Å; D142-N146 PolarHBondContact O-N 3.5Å; D142-N146 PolarHBondContact O-ND2 3.46Å |
| 143 | D | 98.1 | Very high | 96.6 | Very high | 72 Ų | 72 | 95.3 Ų | 95.3 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.8 | 179.7 | 62.5 | 0 | 0 | 0 | 112.2 | Q139 I140 S145 N146 K147 | Q139-D143 WeakPolarHBondContact O-CB 3.39Å; Q139-D143 PolarHBondContact O-N 2.96Å; I140-D143 PolarHBondContact O-N 3.41Å; D143-S145 PolarHBondContact O-N 3.18Å; D143-N146 PolarHBondContact O-N 2.92Å; D143-K147 WeakPolarHBondContact O-CB 3.44Å; D143-K147 WeakPolarHBondContact O-CG 3.4Å; D143-K147 PolarHBondContact O-N 3.38Å; D143-K147 WeakPolarHBondContact OD1-CE 3.49Å; D143-K147 IonicContact OD1-NZ 2.65Å; D143-K147 VanDerWaalsContact OD2-CE 3.23Å; D143-K147 WeakPolarHBondContact OD2-CE 3.42Å; D143-K147 IonicContact OD2-NZ 3.65Å; D143-K147 PolarHBondContact OD2-NZ 2.76Å |
| 144 | L | 98 | Very high | 96.9 | Very high | 105 Ų | 105 | 94.9 Ų | 94.9 | 55% | 0.55 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 177 | -72.3 | 175.8 | 0 | 0 | 0 | 111.9 | I140 N141 K147 E148 | I140-L144 HydrophobicContact CG2-CD1 3.97Å; I140-L144 HydrophobicContact CG2-CG 4.38Å; I140-L144 WeakPolarHBondContact O-CB 3.31Å; I140-L144 VanDerWaalsContact O-CG 3.31Å; I140-L144 WeakPolarHBondContact O-CG 3.49Å; I140-L144 PolarHBondContact O-N 3.04Å; N141-L144 PolarHBondContact O-N 3.41Å; L144-K147 PolarHBondContact O-N 2.96Å; L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 PolarHBondContact O-N 2.94Å |
| 145 | S | 98 | Very high | 97.2 | Very high | 55 Ų | 55 | 95.4 Ų | 95.4 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | N141 D142 D143 E148 N149 | N141-S145 WeakPolarHBondContact O-CB 3.47Å; N141-S145 PolarHBondContact O-N 2.97Å; D142-S145 PolarHBondContact O-N 3.32Å; D143-S145 PolarHBondContact O-N 3.18Å; S145-E148 PolarHBondContact O-N 3.28Å; S145-N149 WeakPolarHBondContact O-CB 3.43Å; S145-N149 VanDerWaalsContact O-CG 3.22Å; S145-N149 PolarHBondContact O-N 3.3Å; S145-N149 PolarHBondContact O-ND2 3.38Å |
| 146 | N | 97.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 99.7 Ų | 99.7 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 177.6 | -72.2 | -25.8 | 0 | 0 | 0 | 112.2 | D142 D143 E148 N149 N150 | D142-N146 WeakPolarHBondContact O-CB 3.47Å; D142-N146 PolarHBondContact O-N 3.5Å; D142-N146 PolarHBondContact O-ND2 3.46Å; D143-N146 PolarHBondContact O-N 2.92Å; N146-E148 VanDerWaalsContact C-N 3.33Å; N146-E148 PolarHBondContact O-N 3.42Å; N146-N149 PolarHBondContact O-N 2.92Å; N146-N150 WeakPolarHBondContact O-CB 3.42Å; N146-N150 VanDerWaalsContact O-CG 3.26Å; N146-N150 PolarHBondContact O-N 3Å; N146-N150 PolarHBondContact O-ND2 3.36Å |
| 147 | K | 98.3 | Very high | 97.4 | Very high | 123 Ų | 123 | 99 Ų | 99 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 174.8 | -77.5 | 171.7 | 176.9 | 164.8 | 0 | 111.7 | D143 L144 N150 R151 | D143-K147 WeakPolarHBondContact O-CB 3.44Å; D143-K147 WeakPolarHBondContact O-CG 3.4Å; D143-K147 PolarHBondContact O-N 3.38Å; D143-K147 WeakPolarHBondContact OD1-CE 3.49Å; D143-K147 IonicContact OD1-NZ 2.65Å; D143-K147 VanDerWaalsContact OD2-CE 3.23Å; D143-K147 WeakPolarHBondContact OD2-CE 3.42Å; D143-K147 IonicContact OD2-NZ 3.65Å; D143-K147 PolarHBondContact OD2-NZ 2.76Å; L144-K147 PolarHBondContact O-N 2.96Å; K147-N150 PolarHBondContact O-N 3.5Å; K147-R151 WeakPolarHBondContact O-CB 3.46Å; K147-R151 PolarHBondContact O-N 2.92Å |
| 148 | E | 98 | Very high | 97.3 | Very high | 62 Ų | 62 | 97 Ų | 97 | 29% | 0.29 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.9 | 175.3 | 54.8 | -160.1 | 0 | 0 | 112 | L144 S145 N146 R151 R152 | L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 PolarHBondContact O-N 2.94Å; S145-E148 PolarHBondContact O-N 3.28Å; N146-E148 VanDerWaalsContact C-N 3.33Å; N146-E148 PolarHBondContact O-N 3.42Å; E148-R151 PolarHBondContact O-N 3.4Å; E148-R151 IonicContact OE1-CZ 3.68Å; E148-R151 IonicContact OE1-NE 3.6Å; E148-R151 IonicContact OE1-NH2 2.76Å; E148-R151 PolarHBondContact OE1-NH2 3.34Å; E148-R151 IonicContact OE2-CZ 2.68Å; E148-R151 IonicContact OE2-NE 3.43Å; E148-R151 PolarHBondContact OE2-NE 3.46Å; E148-R151 IonicContact OE2-NH2 3.8Å; E148-R151 PolarHBondContact OE2-NH2 3.43Å; E148-R152 WeakPolarHBondContact O-CG 3.46Å; E148-R152 PolarHBondContact O-N 3.23Å; E148-R152 WeakPolarHBondContact OE1-CG 3.47Å; E148-R152 IonicContact OE1-CZ 3.68Å; E148-R152 IonicContact OE1-NE 2.71Å; E148-R152 IonicContact OE1-NH1 3.28Å; E148-R152 PolarHBondContact OE1-NH1 2.74Å |
| 149 | N | 97.7 | Very high | 97.2 | Very high | 69 Ų | 69 | 93.1 Ų | 93.1 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 174 | -71.9 | -26.8 | 0 | 0 | 0 | 112 | S145 N146 R151 R152 S153 | S145-N149 WeakPolarHBondContact O-CB 3.43Å; S145-N149 VanDerWaalsContact O-CG 3.22Å; S145-N149 PolarHBondContact O-N 3.3Å; S145-N149 PolarHBondContact O-ND2 3.38Å; N146-N149 PolarHBondContact O-N 2.92Å; N149-R151 PolarHBondContact O-N 2.89Å; N149-R152 PolarHBondContact O-N 2.71Å; N149-R152 PolarHBondContact OD1-NH2 3.46Å; N149-S153 WeakPolarHBondContact O-CB 3.48Å; N149-S153 PolarHBondContact O-N 3.41Å |
| 150 | N | 97.8 | Very high | 97 | Very high | 115 Ų | 115 | 92.3 Ų | 92.3 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 176.4 | -71.7 | -18.8 | 0 | 0 | 0 | 111.6 | N146 K147 S153 H154 | N146-N150 WeakPolarHBondContact O-CB 3.42Å; N146-N150 VanDerWaalsContact O-CG 3.26Å; N146-N150 PolarHBondContact O-N 3Å; N146-N150 PolarHBondContact O-ND2 3.36Å; K147-N150 PolarHBondContact O-N 3.5Å; N150-S153 PolarHBondContact O-N 3Å; N150-H154 WeakPolarHBondContact O-CB 3.47Å; N150-H154 PolarHBondContact O-N 2.9Å |
| 151 | R | 98.1 | Very high | 96.7 | Very high | 125 Ų | 125 | 93.5 Ų | 93.5 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 175 | -171.2 | -166.5 | 69.9 | 80.3 | 4.4 | 111.3 | K147 E148 N149 H154 L155 | K147-R151 WeakPolarHBondContact O-CB 3.46Å; K147-R151 PolarHBondContact O-N 2.92Å; E148-R151 PolarHBondContact O-N 3.4Å; E148-R151 IonicContact OE1-CZ 3.68Å; E148-R151 IonicContact OE1-NE 3.6Å; E148-R151 IonicContact OE1-NH2 2.76Å; E148-R151 PolarHBondContact OE1-NH2 3.34Å; E148-R151 IonicContact OE2-CZ 2.68Å; E148-R151 IonicContact OE2-NE 3.43Å; E148-R151 PolarHBondContact OE2-NE 3.46Å; E148-R151 IonicContact OE2-NH2 3.8Å; E148-R151 PolarHBondContact OE2-NH2 3.43Å; N149-R151 PolarHBondContact O-N 2.89Å; R151-H154 PolarHBondContact O-N 3.29Å; R151-L155 HydrophobicContact CG-CD1 4.43Å; R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 2.88Å |
| 152 | R | 97.9 | Very high | 96.2 | Very high | 115 Ų | 115 | 92.9 Ų | 92.9 | 43% | 0.434 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 176.6 | -76.2 | -169.6 | -77.1 | -129.3 | 7.6 | 111.9 | E148 N149 L155 Q156 | E148-R152 WeakPolarHBondContact O-CG 3.46Å; E148-R152 PolarHBondContact O-N 3.23Å; E148-R152 WeakPolarHBondContact OE1-CG 3.47Å; E148-R152 IonicContact OE1-CZ 3.68Å; E148-R152 IonicContact OE1-NE 2.71Å; E148-R152 IonicContact OE1-NH1 3.28Å; E148-R152 PolarHBondContact OE1-NH1 2.74Å; N149-R152 PolarHBondContact O-N 2.71Å; N149-R152 PolarHBondContact OD1-NH2 3.46Å; R152-L155 PolarHBondContact O-N 2.9Å; R152-Q156 WeakPolarHBondContact O-CB 3.31Å; R152-Q156 WeakPolarHBondContact O-CG 3.35Å; R152-Q156 PolarHBondContact O-N 3.44Å |
| 153 | S | 97.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 95.8 Ų | 95.8 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | N149 N150 Q156 N157 | N149-S153 WeakPolarHBondContact O-CB 3.48Å; N149-S153 PolarHBondContact O-N 3.41Å; N150-S153 PolarHBondContact O-N 3Å; S153-Q156 PolarHBondContact O-N 3.21Å; S153-N157 PolarHBondContact O-N 3.49Å |
| 154 | H | 97.5 | Very high | 94.9 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 56% | 0.56 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 177.2 | -173 | 65.5 | 0 | 0 | 0 | 112.1 | N150 R151 Q156 N157 I158 | N150-H154 WeakPolarHBondContact O-CB 3.47Å; N150-H154 PolarHBondContact O-N 2.9Å; R151-H154 PolarHBondContact O-N 3.29Å; H154-Q156 PolarHBondContact O-N 2.97Å; H154-N157 WeakPolarHBondContact O-CB 3.46Å; H154-N157 PolarHBondContact O-N 3.31Å; H154-I158 WeakPolarHBondContact O-CG1 3.46Å; H154-I158 PolarHBondContact O-N 3.33Å |
| 155 | L | 96.7 | Very high | 93.5 | Very high | 80 Ų | 80 | 100.1 Ų | 100.1 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.1 | -73.6 | 176 | 0 | 0 | 0 | 112.3 | R151 R152 N157 I158 V159 | R151-L155 HydrophobicContact CG-CD1 4.43Å; R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 2.88Å; R152-L155 PolarHBondContact O-N 2.9Å; L155-N157 VanDerWaalsContact C-N 3.29Å; L155-N157 PolarHBondContact O-N 2.91Å; L155-I158 PolarHBondContact O-N 2.93Å; L155-V159 VanDerWaalsContact O-CG2 3.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.46Å; L155-V159 PolarHBondContact O-N 3.3Å |
| 156 | Q | 96.2 | Very high | 91.5 | Very high | 141 Ų | 141 | 101.4 Ų | 101.4 | 66% | 0.659 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.8 | -40 | 174.2 | -78.6 | 178.1 | -13.6 | 0 | 0 | 111.8 | R152 S153 H154 V159 H160 | R152-Q156 WeakPolarHBondContact O-CB 3.31Å; R152-Q156 WeakPolarHBondContact O-CG 3.35Å; R152-Q156 PolarHBondContact O-N 3.44Å; S153-Q156 PolarHBondContact O-N 3.21Å; H154-Q156 PolarHBondContact O-N 2.97Å; Q156-V159 PolarHBondContact O-N 3.39Å; Q156-H160 WeakPolarHBondContact O-CB 3.38Å; Q156-H160 PolarHBondContact O-N 3.46Å |
| 157 | N | 95.7 | Very high | 89.6 | Confident | 80 Ų | 80 | 102.8 Ų | 102.8 | 43% | 0.428 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 175.9 | -168.3 | 4.7 | 0 | 0 | 0 | 111.7 | S153 H154 L155 V159 H160 Q161 | S153-N157 PolarHBondContact O-N 3.49Å; H154-N157 WeakPolarHBondContact O-CB 3.46Å; H154-N157 PolarHBondContact O-N 3.31Å; L155-N157 VanDerWaalsContact C-N 3.29Å; L155-N157 PolarHBondContact O-N 2.91Å; N157-V159 PolarHBondContact O-N 2.96Å; N157-H160 WeakPolarHBondContact O-CB 3.46Å; N157-H160 PolarHBondContact O-N 3.17Å; N157-Q161 WeakPolarHBondContact O-CG 3.26Å; N157-Q161 PolarHBondContact O-N 3.33Å; N157-Q161 PolarHBondContact OD1-NE2 3.48Å |
| 158 | I | 94.5 | Very high | 87.4 | Confident | 68 Ų | 68 | 104.6 Ų | 104.6 | 35% | 0.349 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59 | -48.7 | 174.7 | -67.4 | 167.7 | 0 | 0 | 0 | 110.7 | H154 L155 H160 Q161 C162 | H154-I158 WeakPolarHBondContact O-CG1 3.46Å; H154-I158 PolarHBondContact O-N 3.33Å; L155-I158 PolarHBondContact O-N 2.93Å; I158-H160 VanDerWaalsContact C-N 3.26Å; I158-H160 PolarHBondContact O-N 3.25Å; I158-Q161 PolarHBondContact O-N 3.21Å; I158-Q161 VanDerWaalsContact O-N 3.17Å; I158-C162 PolarHBondContact O-N 3.41Å; I158-C162 PolarHBondContact O-SG 2.96Å; I158-C162 VanDerWaalsContact O-SG 3.39Å |
| 159 | V | 94.3 | Very high | 85.2 | Confident | 81 Ų | 81 | 109.6 Ų | 109.6 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.6 | -43.8 | 177.3 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | L155 Q156 N157 C162 Q163 | L155-V159 VanDerWaalsContact O-CG2 3.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.46Å; L155-V159 PolarHBondContact O-N 3.3Å; Q156-V159 PolarHBondContact O-N 3.39Å; N157-V159 PolarHBondContact O-N 2.96Å; V159-C162 PolarHBondContact O-N 3.15Å; V159-Q163 VanDerWaalsContact O-CG 3.26Å; V159-Q163 WeakPolarHBondContact O-CG 3.09Å; V159-Q163 PolarHBondContact O-N 3.1Å; V159-Q163 VanDerWaalsContact O-N 3.15Å |
| 160 | H | 92.6 | Very high | 82.9 | Confident | 99 Ų | 99 | 114.9 Ų | 114.9 | 46% | 0.458 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.6 | -42.9 | 177.6 | -174.1 | 58.4 | 0 | 0 | 0 | 112.5 | Q156 N157 I158 Q163 L164 | Q156-H160 WeakPolarHBondContact O-CB 3.38Å; Q156-H160 PolarHBondContact O-N 3.46Å; N157-H160 WeakPolarHBondContact O-CB 3.46Å; N157-H160 PolarHBondContact O-N 3.17Å; I158-H160 VanDerWaalsContact C-N 3.26Å; I158-H160 PolarHBondContact O-N 3.25Å; H160-Q163 WeakPolarHBondContact O-CB 3.36Å; H160-Q163 PolarHBondContact O-N 2.89Å; H160-L164 WeakPolarHBondContact NE2-CD1 3.48Å; H160-L164 WeakPolarHBondContact O-CG 3.46Å; H160-L164 PolarHBondContact O-N 3.06Å |
| 161 | Q | 90.9 | Very high | 80.6 | Confident | 106 Ų | 106 | 120.7 Ų | 120.7 | 50% | 0.495 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.8 | -44.7 | 176.6 | -72.2 | 176 | 9.6 | 0 | 0 | 112.1 | N157 I158 Q163 L164 E165 | N157-Q161 WeakPolarHBondContact O-CG 3.26Å; N157-Q161 PolarHBondContact O-N 3.33Å; N157-Q161 PolarHBondContact OD1-NE2 3.48Å; I158-Q161 PolarHBondContact O-N 3.21Å; I158-Q161 VanDerWaalsContact O-N 3.17Å; Q161-Q163 PolarHBondContact O-N 2.91Å; Q161-L164 PolarHBondContact O-N 3.23Å; Q161-L164 VanDerWaalsContact O-N 3.1Å; Q161-E165 PolarHBondContact O-N 3.17Å |
| 162 | C | 87.3 | Confident | 77.9 | Confident | 91 Ų | 91 | 126 Ų | 126 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.8 | -22.8 | 175.8 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | I158 V159 | I158-C162 PolarHBondContact O-N 3.41Å; I158-C162 PolarHBondContact O-SG 2.96Å; I158-C162 VanDerWaalsContact O-SG 3.39Å; V159-C162 PolarHBondContact O-N 3.15Å |
| 163 | Q | 86.4 | Confident | 76.9 | Confident | 141 Ų | 141 | 126.6 Ų | 126.6 | 66% | 0.659 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -83.7 | -28 | 174.4 | -71.8 | 169.8 | -8.9 | 0 | 0 | 112.7 | V159 H160 Q161 | V159-Q163 VanDerWaalsContact O-CG 3.26Å; V159-Q163 WeakPolarHBondContact O-CG 3.09Å; V159-Q163 PolarHBondContact O-N 3.1Å; V159-Q163 VanDerWaalsContact O-N 3.15Å; H160-Q163 WeakPolarHBondContact O-CB 3.36Å; H160-Q163 PolarHBondContact O-N 2.89Å; Q161-Q163 PolarHBondContact O-N 2.91Å |
| 164 | L | 82.4 | Confident | 75.8 | Confident | 115 Ų | 115 | 129.5 Ų | 129.5 | 60% | 0.602 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -84.1 | -31.7 | 179 | -74.1 | 176.5 | 0 | 0 | 0 | 113.1 | H160 Q161 P166 | H160-L164 WeakPolarHBondContact NE2-CD1 3.48Å; H160-L164 WeakPolarHBondContact O-CG 3.46Å; H160-L164 PolarHBondContact O-N 3.06Å; Q161-L164 PolarHBondContact O-N 3.23Å; Q161-L164 VanDerWaalsContact O-N 3.1Å; L164-P166 WeakPolarHBondContact O-CD 3.41Å; L164-P166 VanDerWaalsContact O-N 3.14Å |
| 165 | E | 67.1 | Low | 74.6 | Confident | 152 Ų | 152 | 129.9 Ų | 129.9 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -66.6 | 104.6 | 168.1 | -71.5 | -113.1 | 143.1 | 0 | 0 | 107.8 | Q161 C167 | Q161-E165 PolarHBondContact O-N 3.17Å; E165-C167 PolarHBondContact O-N 3.33Å |
| 166 | P | 56.6 | Low | 73.3 | Confident | 82 Ų | 82 | 132.9 Ų | 132.9 | 53% | 0.532 | 67% | 0.667 | S | S | . | * | trans | -65.6 | 141.7 | 175.5 | -2.9 | 21.2 | 0 | 0 | 0 | 106.2 | L164 H168 | L164-P166 WeakPolarHBondContact O-CD 3.41Å; L164-P166 VanDerWaalsContact O-N 3.14Å; P166-H168 WeakPolarHBondContact CB-CD2 3.5Å; P166-H168 VanDerWaalsContact CG-CD2 3.5Å; P166-H168 WeakPolarHBondContact CG-CD2 3.39Å; P166-H168 PolarHBondContact O-N 2.62Å | ||
| 167 | C | 57.6 | Low | 71.9 | Confident | 121 Ų | 121 | 132.4 Ų | 132.4 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -61 | 62.2 | 172.7 | -62.9 | 0 | 0 | 0 | 0 | 112 | E165 L169 | E165-C167 PolarHBondContact O-N 3.33Å; C167-L169 PolarHBondContact O-N 3.43Å | ||
| 168 | H | 53.6 | Low | 70.3 | Confident | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.745 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 7.8 | -178.4 | -86.7 | -56.7 | 0 | 0 | 0 | 113.1 | P166 | P166-H168 WeakPolarHBondContact CB-CD2 3.5Å; P166-H168 VanDerWaalsContact CG-CD2 3.5Å; P166-H168 WeakPolarHBondContact CG-CD2 3.39Å; P166-H168 PolarHBondContact O-N 2.62Å |
| 169 | L | 51.6 | Low | 68.6 | Low | 166 Ų | 166 | 140.7 Ų | 140.7 | 87% | 0.869 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | 14.2 | -176.4 | -86.9 | 160.9 | 0 | 0 | 0 | 115.5 | C167 | C167-L169 PolarHBondContact O-N 3.43Š|
| 170 | F | 49.3 | Very low | 66.6 | Low | 180 Ų | 180 | 145.3 Ų | 145.3 | 79% | 0.789 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -123.6 | 129.5 | 164.7 | -96.5 | -98.3 | 0 | 0 | 0 | 108 | ||
| 171 | W | 47.8 | Very low | 64.4 | Low | 238 Ų | 238 | 149.2 Ų | 149.2 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | 92 | 77.6 | -166.7 | -57 | 86.8 | 0 | 0 | 0 | 115.8 | ||||
| 172 | I | 42.7 | Very low | 62 | Low | 237 Ų | 237 | 153.1 Ų | 153.1 | 100% | 1.215 | 77% | 0.769 | S | S | * | * | trans | 85.2 | 0 | 151.2 | -48.5 | 174.5 | 0 | 0 | 0 | 117.3 |
Retrieved 172 of 172 residues in 215.3 ms
(Link to these results)