| 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 | 43 | Very low | 45.3 | Very low | 252 Ų | 252 | 141.3 Ų | 141.3 | 100% | 1.241 | 85% | 0.85 | S | S | * | * | 0 | 103.1 | 0 | -86.3 | -179.9 | 162.4 | 0 | 0 | 108.6 | |||||
| 2 | A | 43.5 | Very low | 44.9 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 85% | 0.85 | S | S | * | * | trans | 175.8 | 102 | 156.7 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 3 | E | 44.6 | Very low | 44.5 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 93% | 0.925 | 85% | 0.846 | S | S | * | * | trans | -73.1 | 143.6 | 177.4 | -66.2 | 172.4 | 130.3 | 0 | 0 | 109.2 | ||||
| 4 | L | 46.3 | Very low | 44.4 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 90% | 0.895 | 85% | 0.848 | S | S | * | * | trans | -111.6 | 107.1 | 170.8 | -80.9 | 168 | 0 | 0 | 0 | 108.1 | ||||
| 5 | D | 52.1 | Low | 44 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 85% | 0.849 | S | S | * | * | trans | -71.4 | 122.1 | 177.1 | -173.9 | -17.8 | 0 | 0 | 0 | 110.1 | F7 | D5-F7 VanDerWaalsContact C-N 3.34Å; D5-F7 PolarHBondContact O-N 2.93Å; D5-F7 PolarHBondContact OD1-N 3.1Å; D5-F7 VanDerWaalsContact OD1-N 3.08Å | ||
| 6 | P | 52.7 | Low | 43.4 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 74% | 0.74 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -82.2 | -0.9 | -176.2 | 32.2 | -34.2 | 0 | 0 | 0 | 114.9 | ||
| 7 | F | 48.6 | Very low | 43.8 | Very low | 191 Ų | 191 | 126.6 Ų | 126.6 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | trans | -104.9 | 34.5 | -174.2 | -83.1 | -80.8 | 0 | 0 | 0 | 115.4 | D5 | D5-F7 VanDerWaalsContact C-N 3.34Å; D5-F7 PolarHBondContact O-N 2.93Å; D5-F7 PolarHBondContact OD1-N 3.1Å; D5-F7 VanDerWaalsContact OD1-N 3.08Å | ||
| 8 | G | 38.2 | Very low | 43.5 | Very low | 70 Ų | 70 | 124.4 Ų | 124.4 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | -92.1 | 111.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 9 | A | 47 | Very low | 43.3 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 142.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A11 | A9-A11 PolarHBondContact O-N 2.81Š|
| 10 | P | 42.3 | Very low | 42.9 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 84% | 0.844 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 125.5 | -178 | 29.7 | -33.8 | 0 | 0 | 0 | 112.6 | ||
| 11 | A | 40.3 | Very low | 42.8 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 138.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A9 | A9-A11 PolarHBondContact O-N 2.81Š|
| 12 | G | 40 | Very low | 42.2 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 156.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 13 | A | 40.3 | Very low | 42 | Very low | 97 Ų | 97 | 120 Ų | 120 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -134.6 | 150.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 14 | P | 43.4 | Very low | 41.6 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -91.3 | 158 | -167.7 | 35.6 | -35.3 | 0 | 0 | 0 | 114.9 | ||||
| 15 | G | 37.1 | Very low | 41.1 | Very low | 84 Ų | 84 | 111 Ų | 111 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -80.8 | -176 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 16 | G | 35.3 | Very low | 40.8 | Very low | 74 Ų | 74 | 109.9 Ų | 109.9 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | cis | -151.8 | -134.4 | -0.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 17 | P | 50.4 | Low | 40.7 | Very low | 128 Ų | 128 | 107.9 Ų | 107.9 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | cis | -133.1 | -174.7 | -14.9 | 43 | -26.9 | 0 | 0 | 0 | 114.3 | ||||
| 18 | A | 37.6 | Very low | 40.7 | Very low | 87 Ų | 87 | 108.3 Ų | 108.3 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | trans | 67.7 | 146.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 19 | L | 40.8 | Very low | 41.5 | Very low | 168 Ų | 168 | 113.2 Ų | 113.2 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | cis | -159.4 | 138.6 | -9.6 | -110.7 | 167 | 0 | 0 | 0 | 107.4 | ||||
| 20 | G | 34.3 | Very low | 42.5 | Very low | 79 Ų | 79 | 113.2 Ų | 113.2 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | -167.9 | 95.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 21 | N | 40.8 | Very low | 44.1 | Very low | 167 Ų | 167 | 112.1 Ų | 112.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -99.6 | 126.9 | -166.8 | -149.1 | 53.7 | 0 | 0 | 0 | 111.2 | ||||
| 22 | G | 31.4 | Very low | 45.4 | Very low | 70 Ų | 70 | 109.8 Ų | 109.8 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -177.3 | 51 | -174 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 23 | V | 39.1 | Very low | 47.2 | Very low | 144 Ų | 144 | 108.4 Ų | 108.4 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | 22.9 | 112.7 | 154.3 | 176 | 0 | 0 | 0 | 0 | 119 | ||||
| 24 | A | 36.3 | Very low | 48.9 | Very low | 99 Ų | 99 | 106.2 Ų | 106.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | -166.4 | 150.1 | 124.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 25 | G | 35.2 | Very low | 50.5 | Low | 82 Ų | 82 | 105.3 Ų | 105.3 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | -52.3 | 137.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 26 | A | 46 | Very low | 52.5 | Low | 109 Ų | 109 | 106.6 Ų | 106.6 | 90% | 0.901 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -83.7 | 139.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 27 | G | 50.3 | Low | 54.6 | Low | 73 Ų | 73 | 105.6 Ų | 105.6 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | 101.8 | 59.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 28 | E | 48.2 | Very low | 55.9 | Low | 200 Ų | 200 | 105.5 Ų | 105.5 | 94% | 0.935 | 69% | 0.694 | S | S | * | * | trans | -124.8 | 93.7 | 141.3 | -87.6 | 178.9 | 125.4 | 0 | 0 | 107 | D30 | E28-D30 PolarHBondContact O-N 2.85Š| ||
| 29 | E | 54.8 | Low | 57.6 | Low | 173 Ų | 173 | 105.2 Ų | 105.2 | 81% | 0.808 | 68% | 0.678 | S | S | * | * | trans | -68.3 | 123.7 | 166.9 | -66.1 | 176.3 | 158 | 0 | 0 | 107.4 | P31 | E29-P31 WeakPolarHBondContact O-CD 3.35Å; E29-P31 VanDerWaalsContact O-N 3.16Å | ||
| 30 | D | 69.5 | Low | 59.1 | Low | 95 Ų | 95 | 104.1 Ų | 104.1 | 51% | 0.508 | 67% | 0.668 | S | S | . | * | trans | -59.8 | 118.8 | 175.5 | 176.4 | -1.6 | 0 | 0 | 0 | 108.7 | E28 A32 A33 A34 | E28-D30 PolarHBondContact O-N 2.85Å; D30-A32 PolarHBondContact O-N 2.93Å; D30-A32 VanDerWaalsContact O-N 3.13Å; D30-A32 WeakPolarHBondContact OD1-CB 3.28Å; D30-A32 PolarHBondContact OD1-N 3.22Å; D30-A33 HydrophobicContact CB-CB 3.95Å; D30-A33 WeakPolarHBondContact O-CA 3.12Å; D30-A33 WeakPolarHBondContact O-CB 3.36Å; D30-A33 PolarHBondContact O-N 2.98Å; D30-A34 PolarHBondContact O-N 3.42Å | ||
| 31 | P | 75.8 | Confident | 60.9 | Low | 106 Ų | 106 | 104.2 Ų | 104.2 | 69% | 0.688 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.1 | -23.2 | -178.9 | 24.8 | -34.3 | 0 | 0 | 0 | 112.8 | E29 F35 | E29-P31 WeakPolarHBondContact O-CD 3.35Å; E29-P31 VanDerWaalsContact O-N 3.16Å; P31-F35 WeakPolarHBondContact O-CB 3.32Å; P31-F35 PolarHBondContact O-N 2.94Å; P31-F35 VanDerWaalsContact O-N 3.15Å |
| 32 | A | 67.1 | Low | 62.1 | Low | 54 Ų | 54 | 102.5 Ų | 102.5 | 45% | 0.446 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.1 | -38.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D30 F35 L36 | D30-A32 PolarHBondContact O-N 2.93Å; D30-A32 VanDerWaalsContact O-N 3.13Å; D30-A32 WeakPolarHBondContact OD1-CB 3.28Å; D30-A32 PolarHBondContact OD1-N 3.22Å; A32-F35 PolarHBondContact O-N 2.84Å; A32-L36 WeakPolarHBondContact O-CG 3.44Å; A32-L36 PolarHBondContact O-N 3.03Å |
| 33 | A | 77 | Confident | 63.3 | Low | 53 Ų | 53 | 104.2 Ų | 104.2 | 44% | 0.438 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.5 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D30 F35 L36 A37 | D30-A33 HydrophobicContact CB-CB 3.95Å; D30-A33 WeakPolarHBondContact O-CA 3.12Å; D30-A33 WeakPolarHBondContact O-CB 3.36Å; D30-A33 PolarHBondContact O-N 2.98Å; A33-F35 VanDerWaalsContact C-N 3.34Å; A33-F35 PolarHBondContact O-N 3.41Å; A33-L36 PolarHBondContact O-N 3.22Å; A33-A37 WeakPolarHBondContact O-CB 3.19Å; A33-A37 PolarHBondContact O-N 2.93Å |
| 34 | A | 77.3 | Confident | 64.4 | Low | 51 Ų | 51 | 100.5 Ų | 100.5 | 42% | 0.421 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.6 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D30 Q38 | D30-A34 PolarHBondContact O-N 3.42Å; A34-Q38 WeakPolarHBondContact O-CB 3.43Å; A34-Q38 PolarHBondContact O-N 2.89Å |
| 35 | F | 76.9 | Confident | 65 | Low | 116 Ų | 116 | 98.4 Ų | 98.4 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -41 | 176.3 | -179.4 | -98.4 | 0 | 0 | 0 | 112.9 | P31 A32 A33 Q38 Q39 | P31-F35 WeakPolarHBondContact O-CB 3.32Å; P31-F35 PolarHBondContact O-N 2.94Å; P31-F35 VanDerWaalsContact O-N 3.15Å; A32-F35 PolarHBondContact O-N 2.84Å; A33-F35 VanDerWaalsContact C-N 3.34Å; A33-F35 PolarHBondContact O-N 3.41Å; F35-Q38 PolarHBondContact O-N 2.94Å; F35-Q39 HydrophobicContact CD1-CG 4.17Å; F35-Q39 HydrophobicContact CE1-CG 3.78Å; F35-Q39 HydrophobicContact CE2-CG 4.48Å; F35-Q39 HydrophobicContact CZ-CG 3.96Å; F35-Q39 VanDerWaalsContact O-CG 3.32Å; F35-Q39 WeakPolarHBondContact O-CG 3.35Å; F35-Q39 PolarHBondContact O-N 3.12Å |
| 36 | L | 79.4 | Confident | 65.8 | Low | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.1 | -43.8 | 176.5 | -71.7 | 171.3 | 0 | 0 | 0 | 112.1 | A32 A33 Q38 Q39 E40 | A32-L36 WeakPolarHBondContact O-CG 3.44Å; A32-L36 PolarHBondContact O-N 3.03Å; A33-L36 PolarHBondContact O-N 3.22Å; L36-Q38 VanDerWaalsContact C-N 3.27Å; L36-Q38 PolarHBondContact O-N 3.16Å; L36-Q39 PolarHBondContact O-N 3.26Å; L36-E40 PolarHBondContact O-N 3.48Å |
| 37 | A | 77.8 | Confident | 66.1 | Low | 53 Ų | 53 | 103.5 Ų | 103.5 | 44% | 0.438 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.1 | -34.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A33 S41 | A33-A37 WeakPolarHBondContact O-CB 3.19Å; A33-A37 PolarHBondContact O-N 2.93Å; A37-S41 PolarHBondContact O-N 2.94Å; A37-S41 VanDerWaalsContact O-N 3.12Å; A37-S41 PolarHBondContact O-OG 2.89Å |
| 38 | Q | 77.7 | Confident | 66.2 | Low | 127 Ų | 127 | 106.9 Ų | 106.9 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.4 | -44.6 | 173.1 | -172.6 | 174.2 | -13 | 0 | 0 | 111.5 | A34 F35 L36 S41 E42 | A34-Q38 WeakPolarHBondContact O-CB 3.43Å; A34-Q38 PolarHBondContact O-N 2.89Å; F35-Q38 PolarHBondContact O-N 2.94Å; L36-Q38 VanDerWaalsContact C-N 3.27Å; L36-Q38 PolarHBondContact O-N 3.16Å; Q38-S41 PolarHBondContact O-N 3.26Å; Q38-S41 PolarHBondContact O-OG 3.18Å; Q38-E42 PolarHBondContact O-N 2.78Å |
| 39 | Q | 74.7 | Confident | 66.1 | Low | 81 Ų | 81 | 103.4 Ų | 103.4 | 38% | 0.379 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.9 | -43.6 | 174.7 | -73.1 | -85 | -39.8 | 0 | 0 | 112.6 | F35 L36 S41 E42 I43 | F35-Q39 HydrophobicContact CD1-CG 4.17Å; F35-Q39 HydrophobicContact CE1-CG 3.78Å; F35-Q39 HydrophobicContact CE2-CG 4.48Å; F35-Q39 HydrophobicContact CZ-CG 3.96Å; F35-Q39 VanDerWaalsContact O-CG 3.32Å; F35-Q39 WeakPolarHBondContact O-CG 3.35Å; F35-Q39 PolarHBondContact O-N 3.12Å; L36-Q39 PolarHBondContact O-N 3.26Å; Q39-S41 VanDerWaalsContact C-N 3.35Å; Q39-S41 PolarHBondContact O-N 3.49Å; Q39-E42 PolarHBondContact O-N 2.84Å; Q39-I43 WeakPolarHBondContact O-CG1 3.41Å; Q39-I43 PolarHBondContact O-N 3.23Å |
| 40 | E | 70.8 | Confident | 66.2 | Low | 144 Ų | 144 | 104.2 Ų | 104.2 | 67% | 0.673 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.6 | -41.7 | 176.8 | -76 | -177.1 | 156.2 | 0 | 0 | 112 | L36 I43 A44 | L36-E40 PolarHBondContact O-N 3.48Å; E40-I43 PolarHBondContact O-N 3.23Å; E40-A44 VanDerWaalsContact O-CB 3.27Å; E40-A44 WeakPolarHBondContact O-CB 3.4Å; E40-A44 PolarHBondContact O-N 2.87Å |
| 41 | S | 72.4 | Confident | 65.3 | Low | 82 Ų | 82 | 103.1 Ų | 103.1 | 57% | 0.573 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.1 | -26.5 | 177.8 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | A37 Q38 Q39 | A37-S41 PolarHBondContact O-N 2.94Å; A37-S41 VanDerWaalsContact O-N 3.12Å; A37-S41 PolarHBondContact O-OG 2.89Å; Q38-S41 PolarHBondContact O-N 3.26Å; Q38-S41 PolarHBondContact O-OG 3.18Å; Q39-S41 VanDerWaalsContact C-N 3.35Å; Q39-S41 PolarHBondContact O-N 3.49Å |
| 42 | E | 66.5 | Low | 63.8 | Low | 131 Ų | 131 | 106.6 Ų | 106.6 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72 | -40.3 | 171 | -168.2 | 171.2 | 164.1 | 0 | 0 | 111.7 | Q38 Q39 | Q38-E42 PolarHBondContact O-N 2.78Å; Q39-E42 PolarHBondContact O-N 2.84Å |
| 43 | I | 57.4 | Low | 62.9 | Low | 106 Ų | 106 | 108.3 Ų | 108.3 | 54% | 0.544 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.9 | -39.7 | 177.1 | -71.2 | 172.2 | 0 | 0 | 0 | 112.1 | Q39 E40 G45 I46 | Q39-I43 WeakPolarHBondContact O-CG1 3.41Å; Q39-I43 PolarHBondContact O-N 3.23Å; E40-I43 PolarHBondContact O-N 3.23Å; I43-G45 PolarHBondContact O-N 3.46Å; I43-G45 VanDerWaalsContact O-N 3.13Å; I43-I46 WeakPolarHBondContact O-CG1 3.39Å; I43-I46 PolarHBondContact O-N 3.05Å |
| 44 | A | 60.8 | Low | 61.5 | Low | 66 Ų | 66 | 112.6 Ų | 112.6 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.8 | -19 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E40 I46 | E40-A44 VanDerWaalsContact O-CB 3.27Å; E40-A44 WeakPolarHBondContact O-CB 3.4Å; E40-A44 PolarHBondContact O-N 2.87Å; A44-I46 VanDerWaalsContact C-N 3.31Å |
| 45 | G | 50.3 | Low | 59.9 | Low | 54 Ų | 54 | 117.1 Ų | 117.1 | 56% | 0.557 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -17.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I43 | I43-G45 PolarHBondContact O-N 3.46Å; I43-G45 VanDerWaalsContact O-N 3.13Å |
| 46 | I | 51.7 | Low | 58.3 | Low | 115 Ų | 115 | 119.8 Ų | 119.8 | 59% | 0.59 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -22.1 | -172.4 | -38.6 | 174.1 | 0 | 0 | 0 | 111.7 | I43 A44 N48 | I43-I46 WeakPolarHBondContact O-CG1 3.39Å; I43-I46 PolarHBondContact O-N 3.05Å; A44-I46 VanDerWaalsContact C-N 3.31Å; I46-N48 VanDerWaalsContact C-N 3.27Å; I46-N48 PolarHBondContact O-N 3.41Å |
| 47 | E | 52.4 | Low | 56.4 | Low | 184 Ų | 184 | 117.8 Ų | 117.8 | 86% | 0.86 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -9.3 | -175.8 | -118.6 | -177.5 | 179.1 | 0 | 0 | 114.6 | ||
| 48 | N | 52.9 | Low | 54.8 | Low | 144 Ų | 144 | 119.4 Ų | 119.4 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 0.5 | -176.2 | -168.8 | 79 | 0 | 0 | 0 | 114.6 | I46 | I46-N48 VanDerWaalsContact C-N 3.27Å; I46-N48 PolarHBondContact O-N 3.41Å |
| 49 | D | 45.6 | Very low | 52.8 | Low | 127 Ų | 127 | 117.9 Ų | 117.9 | 68% | 0.679 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -89 | 128.2 | 172.5 | -92.5 | -10.2 | 0 | 0 | 0 | 111 | A51 | D49-A51 PolarHBondContact O-N 2.69Š|
| 50 | E | 55.4 | Low | 51.4 | Low | 190 Ų | 190 | 120.6 Ų | 120.6 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -69 | 27.4 | -171.6 | -60.3 | 176.9 | 121.9 | 0 | 0 | 114.9 | ||
| 51 | A | 51.1 | Low | 49.6 | Very low | 71 Ų | 71 | 117 Ų | 117 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -78.7 | -23 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D49 A53 | D49-A51 PolarHBondContact O-N 2.69Å; A51-A53 VanDerWaalsContact C-N 3.3Å; A51-A53 PolarHBondContact O-N 2.71Å |
| 52 | F | 44.3 | Very low | 48.1 | Very low | 180 Ų | 180 | 119.3 Ų | 119.3 | 79% | 0.789 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -80.3 | -2 | -176.5 | -90.6 | -81.8 | 0 | 0 | 0 | 115.2 | I54 | F52-I54 PolarHBondContact O-N 2.79Š|
| 53 | A | 47.7 | Very low | 47.1 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -76.9 | 5.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A51 | A51-A53 VanDerWaalsContact C-N 3.3Å; A51-A53 PolarHBondContact O-N 2.71Å |
| 54 | I | 48.9 | Very low | 46.1 | Very low | 143 Ų | 143 | 123.4 Ų | 123.4 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -117.9 | 40 | -172.8 | -35.5 | 179.4 | 0 | 0 | 0 | 112.6 | F52 | F52-I54 PolarHBondContact O-N 2.79Š|
| 55 | L | 44.1 | Very low | 45.1 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -128.3 | 5 | 172.8 | -73.6 | 174.1 | 0 | 0 | 0 | 115 | G57 | L55-G57 PolarHBondContact O-N 3.34Å; L55-G57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | D | 42 | Very low | 44.3 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -85 | 60.8 | 169.1 | -168.7 | 39.6 | 0 | 0 | 0 | 111.4 | ||||
| 57 | G | 40.7 | Very low | 43.4 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -163.6 | 81.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L55 | L55-G57 PolarHBondContact O-N 3.34Å; L55-G57 VanDerWaalsContact O-N 3.1Å |
| 58 | G | 43.5 | Very low | 43.5 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -73.5 | 130 | -168 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 59 | A | 34.9 | Very low | 43 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -158.9 | 145.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 60 | P | 46.8 | Very low | 42.3 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -88.9 | 147.6 | -172.2 | 34.2 | -34.8 | 0 | 0 | 0 | 114.3 | ||||
| 61 | G | 32.5 | Very low | 41.3 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -137.3 | 157.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 62 | P | 40 | Very low | 41 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 151.7 | -142.8 | 34.7 | -37.2 | 0 | 0 | 0 | 116.8 | ||
| 63 | Q | 45.1 | Very low | 40.4 | Very low | 190 Ų | 190 | 122.1 Ų | 122.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 144.5 | 163.4 | -67.5 | -174.6 | -39.5 | 0 | 0 | 111.9 | ||
| 64 | P | 38 | Very low | 39.8 | Very low | 132 Ų | 132 | 122.1 Ų | 122.1 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 130.6 | 156 | 33.7 | -26.2 | 0 | 0 | 0 | 111 | ||
| 65 | H | 39.6 | Very low | 39.2 | Very low | 192 Ų | 192 | 121.6 Ų | 121.6 | 89% | 0.889 | 81% | 0.808 | S | S | * | * | trans | -116.5 | 136 | 176.9 | -172.7 | 12.1 | 0 | 0 | 0 | 108 | ||||
| 66 | G | 32.4 | Very low | 38.5 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 178.7 | 115.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 67 | E | 33.7 | Very low | 38.1 | Very low | 183 Ų | 183 | 116.8 Ų | 116.8 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -108 | 178 | 171.4 | -112.5 | -162.5 | 81.9 | 0 | 0 | 110.5 | ||||
| 68 | P | 54.5 | Low | 37.9 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | trans | -97.9 | 170.6 | -143.6 | 40 | -39.9 | 0 | 0 | 0 | 115.9 | ||||
| 69 | P | 42.2 | Very low | 37.8 | Very low | 132 Ų | 132 | 125 Ų | 125 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | -136.3 | 164.3 | 125.8 | 35.9 | -23.3 | 0 | 0 | 0 | 110.7 | |||||
| 70 | G | 30.9 | Very low | 38.1 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | 152.1 | 145.6 | 15.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 71 | G | 34.5 | Very low | 37.7 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -70.4 | -179.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 72 | P | 44.4 | Very low | 38 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -151.9 | 177.3 | 45.5 | 43.2 | -23 | 0 | 0 | 0 | 119 | ||||
| 73 | D | 31.3 | Very low | 37.9 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | 62.6 | 131 | 143 | -87.4 | -61.2 | 0 | 0 | 0 | 125.6 | ||||
| 74 | A | 35.6 | Very low | 37.7 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 58.4 | 139.5 | 135.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 75 | V | 36 | Very low | 37.8 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | cis | -142.9 | -173.4 | 8.6 | -68.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 76 | D | 30.5 | Very low | 37.8 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | cis | -155.9 | 174.6 | 7.7 | -160.5 | 11.2 | 0 | 0 | 0 | 112.2 | ||||
| 77 | G | 32.3 | Very low | 38.3 | Very low | 59 Ų | 59 | 134.3 Ų | 134.3 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | trans | 15.5 | 129.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 78 | V | 37.6 | Very low | 39.1 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | -151 | 144.1 | 104.5 | 138.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 79 | M | 41.8 | Very low | 39.1 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -79.6 | 137.7 | -174 | -87.9 | -80.2 | -171.5 | 0 | 0 | 114.3 | ||||
| 80 | N | 40.4 | Very low | 39.6 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | 57.3 | 112.6 | 128.8 | -150.1 | 29.3 | 0 | 0 | 0 | 119.8 | E82 | N80-E82 WeakPolarHBondContact ND2-CG 3.23Š| |||
| 81 | G | 37.6 | Very low | 41 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -121.6 | 103.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 82 | E | 39.8 | Very low | 42.6 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | trans | -76 | 170.7 | -172.6 | -72.7 | 176.2 | 118.4 | 0 | 0 | 114.3 | N80 | N80-E82 WeakPolarHBondContact ND2-CG 3.23Š| ||
| 83 | Y | 37.6 | Very low | 43.7 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | 88.8 | 65.7 | 154.7 | -115.5 | -88.1 | 0 | 0 | 0 | 118.4 | Q85 | Y83-Q85 HydrophobicContact CE1-CB 4.41Š| ||
| 84 | Y | 40.4 | Very low | 45.4 | Very low | 236 Ų | 236 | 132.9 Ų | 132.9 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -98.2 | 123.7 | 135.4 | -94.5 | -88.3 | 0 | 0 | 0 | 110.1 | E86 | Y84-E86 PolarHBondContact O-N 3.41Š| ||
| 85 | Q | 40.8 | Very low | 47.2 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | trans | -75.2 | 102.4 | -172.5 | -178.8 | 176.4 | -57.3 | 0 | 0 | 110.6 | Y83 S87 | Y83-Q85 HydrophobicContact CE1-CB 4.41Å; Q85-S87 PolarHBondContact O-N 2.77Å | ||
| 86 | E | 40.5 | Very low | 48.8 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | trans | -63.4 | 100.4 | 173.7 | -74.6 | -172.6 | 148.9 | 0 | 0 | 111.4 | Y84 N88 | Y84-E86 PolarHBondContact O-N 3.41Å; E86-N88 PolarHBondContact O-N 2.79Å; E86-N88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | S | 41.4 | Very low | 50.7 | Low | 110 Ų | 110 | 124.6 Ų | 124.6 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | -74.1 | 95.4 | 164.4 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | Q85 G89 | Q85-S87 PolarHBondContact O-N 2.77Å; S87-G89 PolarHBondContact O-N 2.76Å | ||
| 88 | N | 50.2 | Low | 52.7 | Low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 68% | 0.681 | S | S | * | * | trans | -65.3 | 79.2 | 171 | -85.3 | -71.8 | 0 | 0 | 0 | 111.4 | E86 | E86-N88 PolarHBondContact O-N 2.79Å; E86-N88 VanDerWaalsContact O-N 3.1Å | ||
| 89 | G | 56.3 | Low | 54.1 | Low | 44 Ų | 44 | 121 Ų | 121 | 45% | 0.454 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -93.6 | 172.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S87 T91 | S87-G89 PolarHBondContact O-N 2.76Å; G89-T91 PolarHBondContact O-N 2.72Å |
| 90 | P | 51.8 | Low | 55.3 | Low | 135 Ų | 135 | 116.4 Ų | 116.4 | 88% | 0.877 | 64% | 0.637 | S | S | * | * | trans | -61.2 | 106.5 | 171.9 | -16.6 | 30.2 | 0 | 0 | 0 | 108.8 | D92 | P90-D92 PolarHBondContact O-N 3.31Š| ||
| 91 | T | 60.3 | Low | 56.7 | Low | 116 Ų | 116 | 116.1 Ų | 116.1 | 71% | 0.712 | 64% | 0.635 | S | S | * | * | trans | -63.3 | 104.4 | 174.3 | -49.3 | 0 | 0 | 0 | 0 | 107.2 | G89 S93 | G89-T91 PolarHBondContact O-N 2.72Å; T91-S93 VanDerWaalsContact C-N 3.32Å; T91-S93 PolarHBondContact O-N 3.42Å | ||
| 92 | D | 67.1 | Low | 58.1 | Low | 96 Ų | 96 | 120 Ų | 120 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | trans | -64.7 | 97.7 | 176.1 | 179.6 | 0.7 | 0 | 0 | 0 | 108.1 | P90 Y94 A95 A96 | P90-D92 PolarHBondContact O-N 3.31Å; D92-Y94 PolarHBondContact O-N 2.76Å; D92-Y94 VanDerWaalsContact O-N 3.16Å; D92-Y94 WeakPolarHBondContact OD1-CA 3.38Å; D92-Y94 WeakPolarHBondContact OD1-CB 3.18Å; D92-Y94 PolarHBondContact OD1-N 3Å; D92-A95 HydrophobicContact CB-CB 3.78Å; D92-A95 WeakPolarHBondContact O-CB 3.42Å; D92-A95 PolarHBondContact O-N 3.08Å; D92-A95 PolarHBondContact OD1-N 3.14Å; D92-A96 PolarHBondContact O-N 3.36Å | ||
| 93 | S | 67.9 | Low | 59.3 | Low | 83 Ų | 83 | 119.3 Ų | 119.3 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -57.2 | -29 | 179.1 | -49.8 | 0 | 0 | 0 | 0 | 111.2 | T91 I97 | T91-S93 VanDerWaalsContact C-N 3.32Å; T91-S93 PolarHBondContact O-N 3.42Å; S93-I97 WeakPolarHBondContact O-CB 3.48Å; S93-I97 VanDerWaalsContact O-CD1 3.28Å; S93-I97 WeakPolarHBondContact O-CD1 3.47Å; S93-I97 WeakPolarHBondContact O-CG1 3.36Å; S93-I97 PolarHBondContact O-N 2.78Å |
| 94 | Y | 67.3 | Low | 60.4 | Low | 187 Ų | 187 | 117.4 Ų | 117.4 | 73% | 0.733 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.8 | -41.2 | 176.7 | -155.6 | -88.2 | 0 | 0 | 0 | 111.2 | D92 I97 S98 | D92-Y94 PolarHBondContact O-N 2.76Å; D92-Y94 VanDerWaalsContact O-N 3.16Å; D92-Y94 WeakPolarHBondContact OD1-CA 3.38Å; D92-Y94 WeakPolarHBondContact OD1-CB 3.18Å; D92-Y94 PolarHBondContact OD1-N 3Å; Y94-I97 PolarHBondContact O-N 2.94Å; Y94-S98 WeakPolarHBondContact O-CB 3.28Å; Y94-S98 PolarHBondContact O-N 3.23Å; Y94-S98 PolarHBondContact O-OG 3.44Å |
| 95 | A | 72.7 | Confident | 61.6 | Low | 41 Ų | 41 | 109.2 Ų | 109.2 | 34% | 0.339 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.7 | -45 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D92 S98 E99 | D92-A95 HydrophobicContact CB-CB 3.78Å; D92-A95 WeakPolarHBondContact O-CB 3.42Å; D92-A95 PolarHBondContact O-N 3.08Å; D92-A95 PolarHBondContact OD1-N 3.14Å; A95-S98 WeakPolarHBondContact CA-OG 3.37Å; A95-S98 PolarHBondContact O-N 2.85Å; A95-S98 PolarHBondContact O-OG 2.73Å; A95-E99 PolarHBondContact O-N 2.9Å |
| 96 | A | 71.4 | Confident | 62.9 | Low | 49 Ų | 49 | 106 Ų | 106 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.9 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D92 E99 V100 | D92-A96 PolarHBondContact O-N 3.36Å; A96-E99 PolarHBondContact O-N 2.93Å; A96-V100 WeakPolarHBondContact O-CG2 3.3Å; A96-V100 PolarHBondContact O-N 3.32Å; A96-V100 VanDerWaalsContact O-N 3.12Å |
| 97 | I | 69.9 | Low | 64.9 | Low | 114 Ų | 114 | 101.3 Ų | 101.3 | 59% | 0.585 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.5 | -41 | 173.4 | -70 | 162.3 | 0 | 0 | 0 | 110.7 | S93 Y94 E99 V100 D101 | S93-I97 WeakPolarHBondContact O-CB 3.48Å; S93-I97 VanDerWaalsContact O-CD1 3.28Å; S93-I97 WeakPolarHBondContact O-CD1 3.47Å; S93-I97 WeakPolarHBondContact O-CG1 3.36Å; S93-I97 PolarHBondContact O-N 2.78Å; Y94-I97 PolarHBondContact O-N 2.94Å; I97-E99 PolarHBondContact O-N 3.29Å; I97-V100 PolarHBondContact O-N 2.86Å; I97-D101 WeakPolarHBondContact O-CB 3.48Å; I97-D101 PolarHBondContact O-N 3.47Å |
| 98 | S | 73.9 | Confident | 66.8 | Low | 55 Ų | 55 | 101.2 Ų | 101.2 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.4 | -31.8 | -179.7 | 76 | 0 | 0 | 0 | 0 | 113.9 | Y94 A95 R102 | Y94-S98 WeakPolarHBondContact O-CB 3.28Å; Y94-S98 PolarHBondContact O-N 3.23Å; Y94-S98 PolarHBondContact O-OG 3.44Å; A95-S98 WeakPolarHBondContact CA-OG 3.37Å; A95-S98 PolarHBondContact O-N 2.85Å; A95-S98 PolarHBondContact O-OG 2.73Å; S98-R102 VanDerWaalsContact O-CB 3.23Å; S98-R102 WeakPolarHBondContact O-CB 3.45Å; S98-R102 PolarHBondContact O-N 2.66Å |
| 99 | E | 67.4 | Low | 68.5 | Low | 82 Ų | 82 | 98.2 Ų | 98.2 | 38% | 0.383 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.9 | -35.8 | 171.9 | -84.1 | -68.5 | -178.9 | 0 | 0 | 111.7 | A95 A96 I97 R102 L103 | A95-E99 PolarHBondContact O-N 2.9Å; A96-E99 PolarHBondContact O-N 2.93Å; I97-E99 PolarHBondContact O-N 3.29Å; E99-R102 PolarHBondContact O-N 3.45Å; E99-R102 IonicContact OE1-CZ 3.89Å; E99-R102 VanDerWaalsContact OE1-CZ 3.27Å; E99-R102 IonicContact OE1-NE 2.66Å; E99-R102 PolarHBondContact OE1-NE 2.9Å; E99-R102 IonicContact OE1-NH2 2.71Å; E99-R102 PolarHBondContact OE1-NH2 2.91Å; E99-R102 IonicContact OE2-CZ 2.76Å; E99-R102 IonicContact OE2-NE 2.85Å; E99-R102 PolarHBondContact OE2-NE 3.04Å; E99-R102 IonicContact OE2-NH2 2.69Å; E99-R102 PolarHBondContact OE2-NH2 3.49Å; E99-L103 VanDerWaalsContact O-CB 3.28Å; E99-L103 WeakPolarHBondContact O-CB 3.5Å; E99-L103 WeakPolarHBondContact O-CD1 3.32Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 2.86Å |
| 100 | V | 66.8 | Low | 69.9 | Low | 77 Ų | 77 | 99.6 Ų | 99.6 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 170.3 | 172 | 0 | 0 | 0 | 0 | 111 | A96 I97 L103 Q104 | A96-V100 WeakPolarHBondContact O-CG2 3.3Å; A96-V100 PolarHBondContact O-N 3.32Å; A96-V100 VanDerWaalsContact O-N 3.12Å; I97-V100 PolarHBondContact O-N 2.86Å; V100-L103 PolarHBondContact O-N 3.35Å; V100-Q104 HydrophobicContact CG1-CG 4.49Å; V100-Q104 WeakPolarHBondContact O-CB 3.43Å; V100-Q104 WeakPolarHBondContact O-CG 3.3Å; V100-Q104 PolarHBondContact O-N 2.94Å |
| 101 | D | 68.9 | Low | 71.8 | Confident | 111 Ų | 111 | 97.4 Ų | 97.4 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 176.7 | -162.7 | 56.6 | 0 | 0 | 0 | 111.3 | I97 L103 Q104 S105 | I97-D101 WeakPolarHBondContact O-CB 3.48Å; I97-D101 PolarHBondContact O-N 3.47Å; D101-L103 VanDerWaalsContact C-N 3.34Å; D101-L103 PolarHBondContact O-N 3.21Å; D101-Q104 CarbonylContact O-C 3.59Å; D101-Q104 PolarHBondContact O-N 3.42Å; D101-S105 WeakPolarHBondContact O-CB 3.48Å; D101-S105 PolarHBondContact O-N 3.1Å; D101-S105 PolarHBondContact O-OG 3.08Å |
| 102 | R | 68.3 | Low | 73.3 | Confident | 162 Ų | 162 | 97 Ų | 97 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.2 | -29.1 | 174.7 | -166.4 | -179.8 | 71.8 | 120.3 | -2.3 | 113.6 | S98 E99 S105 | S98-R102 VanDerWaalsContact O-CB 3.23Å; S98-R102 WeakPolarHBondContact O-CB 3.45Å; S98-R102 PolarHBondContact O-N 2.66Å; E99-R102 PolarHBondContact O-N 3.45Å; E99-R102 IonicContact OE1-CZ 3.89Å; E99-R102 VanDerWaalsContact OE1-CZ 3.27Å; E99-R102 IonicContact OE1-NE 2.66Å; E99-R102 PolarHBondContact OE1-NE 2.9Å; E99-R102 IonicContact OE1-NH2 2.71Å; E99-R102 PolarHBondContact OE1-NH2 2.91Å; E99-R102 IonicContact OE2-CZ 2.76Å; E99-R102 IonicContact OE2-NE 2.85Å; E99-R102 PolarHBondContact OE2-NE 3.04Å; E99-R102 IonicContact OE2-NH2 2.69Å; E99-R102 PolarHBondContact OE2-NH2 3.49Å; R102-S105 WeakPolarHBondContact CA-OG 3.38Å; R102-S105 PolarHBondContact O-OG 3.34Å; R102-S105 VanDerWaalsContact O-OG 3.05Å |
| 103 | L | 63.5 | Low | 74.6 | Confident | 141 Ų | 141 | 99.2 Ų | 99.2 | 74% | 0.738 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -78.8 | -27.1 | 173 | -76.1 | 164 | 0 | 0 | 0 | 112.4 | E99 V100 D101 | E99-L103 VanDerWaalsContact O-CB 3.28Å; E99-L103 WeakPolarHBondContact O-CB 3.5Å; E99-L103 WeakPolarHBondContact O-CD1 3.32Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 2.86Å; V100-L103 PolarHBondContact O-N 3.35Å; D101-L103 VanDerWaalsContact C-N 3.34Å; D101-L103 PolarHBondContact O-N 3.21Å |
| 104 | Q | 61.9 | Low | 75.8 | Confident | 153 Ų | 153 | 101.1 Ų | 101.1 | 72% | 0.715 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -88.4 | -26.5 | 176.1 | -74.2 | -176 | -16.2 | 0 | 0 | 113.3 | V100 D101 E106 | V100-Q104 HydrophobicContact CG1-CG 4.49Å; V100-Q104 WeakPolarHBondContact O-CB 3.43Å; V100-Q104 WeakPolarHBondContact O-CG 3.3Å; V100-Q104 PolarHBondContact O-N 2.94Å; D101-Q104 CarbonylContact O-C 3.59Å; D101-Q104 PolarHBondContact O-N 3.42Å; Q104-E106 PolarHBondContact O-N 2.97Å |
| 105 | S | 65.8 | Low | 77.1 | Confident | 63 Ų | 63 | 96.9 Ų | 96.9 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -66.2 | 116.5 | 174.3 | 65.9 | 0 | 0 | 0 | 0 | 109.7 | D101 R102 | D101-S105 WeakPolarHBondContact O-CB 3.48Å; D101-S105 PolarHBondContact O-N 3.1Å; D101-S105 PolarHBondContact O-OG 3.08Å; R102-S105 WeakPolarHBondContact CA-OG 3.38Å; R102-S105 PolarHBondContact O-OG 3.34Å; R102-S105 VanDerWaalsContact O-OG 3.05Å |
| 106 | E | 68.3 | Low | 78.2 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 131.8 | 166.3 | -76.5 | -168 | 150.6 | 0 | 0 | 108.8 | Q104 E108 R114 | Q104-E106 PolarHBondContact O-N 2.97Å; E106-E108 PolarHBondContact O-N 3.1Å; E106-R114 IonicContact OE1-CZ 2.73Å; E106-R114 IonicContact OE1-NH1 2.79Å; E106-R114 PolarHBondContact OE1-NH1 2.94Å; E106-R114 IonicContact OE1-NH2 3.61Å; E106-R114 PolarHBondContact OE1-NH2 2.83Å; E106-R114 IonicContact OE2-CZ 3.73Å; E106-R114 IonicContact OE2-NH1 3.15Å; E106-R114 PolarHBondContact OE2-NH1 3.33Å; E106-R114 IonicContact OE2-NH2 3.59Å |
| 107 | P | 82.4 | Confident | 79.4 | Confident | 69 Ų | 69 | 101.4 Ų | 101.4 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 133.3 | 175.7 | -28.2 | 34 | 0 | 0 | 0 | 111.1 | S109 I110 R111 | P107-S109 PolarHBondContact O-N 3.47Å; P107-I110 HydrophobicContact CB-CG1 4.36Å; P107-I110 HydrophobicContact CG-CD1 4.2Å; P107-I110 WeakPolarHBondContact O-CA 3.45Å; P107-I110 WeakPolarHBondContact O-CB 3.45Å; P107-I110 PolarHBondContact O-N 3.48Å; P107-R111 PolarHBondContact O-N 3.37Å; P107-R111 VanDerWaalsContact O-N 3.14Å |
| 108 | E | 81.4 | Confident | 80.6 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -52.9 | -24.9 | -180 | -81.2 | -73.5 | 106.4 | 0 | 0 | 113.7 | E106 R111 K112 | E106-E108 PolarHBondContact O-N 3.1Å; E108-R111 IonicContact OE1-CZ 2.63Å; E108-R111 IonicContact OE1-NE 2.89Å; E108-R111 PolarHBondContact OE1-NE 3.41Å; E108-R111 IonicContact OE1-NH2 3.34Å; E108-R111 PolarHBondContact OE1-NH2 2.92Å; E108-R111 IonicContact OE2-CZ 3.27Å; E108-R111 IonicContact OE2-NE 2.79Å; E108-R111 IonicContact OE2-NH2 3.34Å; E108-R111 PolarHBondContact OE2-NH2 3.03Å; E108-K112 WeakPolarHBondContact O-CB 3.43Å; E108-K112 VanDerWaalsContact O-CG 3.3Å; E108-K112 WeakPolarHBondContact O-CG 3.32Å; E108-K112 PolarHBondContact O-N 3.23Å; E108-K112 VanDerWaalsContact O-N 3.08Å |
| 109 | S | 85.4 | Confident | 81.8 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.8 | -39.8 | 171.4 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | P107 W113 | P107-S109 PolarHBondContact O-N 3.47Å; S109-W113 VanDerWaalsContact O-CB 3.3Å; S109-W113 WeakPolarHBondContact O-CB 3.31Å; S109-W113 PolarHBondContact O-N 2.87Å |
| 110 | I | 86.6 | Confident | 83.2 | Confident | 73 Ų | 73 | 109 Ų | 109 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.6 | -39.4 | 176.2 | -63.3 | -176.2 | 0 | 0 | 0 | 110.1 | P107 W113 R114 | P107-I110 HydrophobicContact CB-CG1 4.36Å; P107-I110 HydrophobicContact CG-CD1 4.2Å; P107-I110 WeakPolarHBondContact O-CA 3.45Å; P107-I110 WeakPolarHBondContact O-CB 3.45Å; P107-I110 PolarHBondContact O-N 3.48Å; I110-W113 PolarHBondContact O-N 3.08Å; I110-R114 PolarHBondContact O-N 3.15Å |
| 111 | R | 89.6 | Confident | 84.6 | Confident | 88 Ų | 88 | 110.2 Ų | 110.2 | 33% | 0.332 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -53.3 | 174.1 | -172.6 | -179.4 | 65.6 | 73.9 | 3.4 | 111.2 | P107 E108 W113 R114 E115 | P107-R111 PolarHBondContact O-N 3.37Å; P107-R111 VanDerWaalsContact O-N 3.14Å; E108-R111 IonicContact OE1-CZ 2.63Å; E108-R111 IonicContact OE1-NE 2.89Å; E108-R111 PolarHBondContact OE1-NE 3.41Å; E108-R111 IonicContact OE1-NH2 3.34Å; E108-R111 PolarHBondContact OE1-NH2 2.92Å; E108-R111 IonicContact OE2-CZ 3.27Å; E108-R111 IonicContact OE2-NE 2.79Å; E108-R111 IonicContact OE2-NH2 3.34Å; E108-R111 PolarHBondContact OE2-NH2 3.03Å; R111-W113 PolarHBondContact O-N 2.89Å; R111-R114 PolarHBondContact O-N 3.41Å; R111-E115 WeakPolarHBondContact CG-OE1 3.31Å; R111-E115 IonicContact CZ-OE1 3.5Å; R111-E115 IonicContact CZ-OE2 3.66Å; R111-E115 IonicContact NH1-OE1 3.89Å; R111-E115 PolarHBondContact NH1-OE1 3.05Å; R111-E115 IonicContact NH1-OE2 3.36Å; R111-E115 PolarHBondContact NH1-OE2 3.46Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 3.48Å |
| 112 | K | 92.3 | Very high | 86 | Confident | 107 Ų | 107 | 111 Ų | 111 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.2 | -73.7 | 177.6 | -178.6 | -174 | 0 | 112.6 | E108 R114 E115 E116 | E108-K112 WeakPolarHBondContact O-CB 3.43Å; E108-K112 VanDerWaalsContact O-CG 3.3Å; E108-K112 WeakPolarHBondContact O-CG 3.32Å; E108-K112 PolarHBondContact O-N 3.23Å; E108-K112 VanDerWaalsContact O-N 3.08Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact O-N 3.35Å; K112-E115 PolarHBondContact O-N 3.35Å; K112-E116 WeakPolarHBondContact O-CB 3.43Å; K112-E116 WeakPolarHBondContact O-CG 3.21Å; K112-E116 PolarHBondContact O-N 3.43Å |
| 113 | W | 94.2 | Very high | 87.4 | Confident | 144 Ų | 144 | 106.2 Ų | 106.2 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 177.5 | 178.8 | 82.4 | 0 | 0 | 0 | 112.3 | S109 I110 R111 E116 Q117 | S109-W113 VanDerWaalsContact O-CB 3.3Å; S109-W113 WeakPolarHBondContact O-CB 3.31Å; S109-W113 PolarHBondContact O-N 2.87Å; I110-W113 PolarHBondContact O-N 3.08Å; R111-W113 PolarHBondContact O-N 2.89Å; W113-E116 PolarHBondContact O-N 2.9Å; W113-Q117 HydrophobicContact CD2-CG 4Å; W113-Q117 HydrophobicContact CE3-CG 4.4Å; W113-Q117 HydrophobicContact CH2-CG 4.1Å; W113-Q117 HydrophobicContact CZ2-CG 3.66Å; W113-Q117 HydrophobicContact CZ3-CG 4.45Å; W113-Q117 WeakPolarHBondContact O-CB 3.45Å; W113-Q117 VanDerWaalsContact O-CG 3.32Å; W113-Q117 WeakPolarHBondContact O-CG 3.49Å; W113-Q117 PolarHBondContact O-N 2.95Å |
| 114 | R | 94.6 | Very high | 89 | Confident | 123 Ų | 123 | 104.8 Ų | 104.8 | 46% | 0.464 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 173.8 | -76.1 | -168.2 | -176 | 146.8 | 11.8 | 112 | E106 I110 R111 K112 Q117 T118 | E106-R114 IonicContact OE1-CZ 2.73Å; E106-R114 IonicContact OE1-NH1 2.79Å; E106-R114 PolarHBondContact OE1-NH1 2.94Å; E106-R114 IonicContact OE1-NH2 3.61Å; E106-R114 PolarHBondContact OE1-NH2 2.83Å; E106-R114 IonicContact OE2-CZ 3.73Å; E106-R114 IonicContact OE2-NH1 3.15Å; E106-R114 PolarHBondContact OE2-NH1 3.33Å; E106-R114 IonicContact OE2-NH2 3.59Å; I110-R114 PolarHBondContact O-N 3.15Å; R111-R114 PolarHBondContact O-N 3.41Å; K112-R114 VanDerWaalsContact C-N 3.34Å; K112-R114 PolarHBondContact O-N 3.35Å; R114-Q117 PolarHBondContact O-N 3.16Å; R114-T118 WeakPolarHBondContact O-CB 3.26Å; R114-T118 PolarHBondContact O-N 3.04Å; R114-T118 PolarHBondContact O-OG1 3.37Å; R114-T118 VanDerWaalsContact O-OG1 3.04Å |
| 115 | E | 94.1 | Very high | 90.7 | Very high | 97 Ų | 97 | 102.1 Ų | 102.1 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 176.4 | -72.6 | 165 | -173.6 | 0 | 0 | 111 | R111 K112 Q117 T118 E119 | R111-E115 WeakPolarHBondContact CG-OE1 3.31Å; R111-E115 IonicContact CZ-OE1 3.5Å; R111-E115 IonicContact CZ-OE2 3.66Å; R111-E115 IonicContact NH1-OE1 3.89Å; R111-E115 PolarHBondContact NH1-OE1 3.05Å; R111-E115 IonicContact NH1-OE2 3.36Å; R111-E115 PolarHBondContact NH1-OE2 3.46Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 3.48Å; K112-E115 PolarHBondContact O-N 3.35Å; E115-Q117 PolarHBondContact O-N 2.95Å; E115-T118 PolarHBondContact O-N 2.87Å; E115-E119 WeakPolarHBondContact O-CB 3.28Å; E115-E119 PolarHBondContact O-N 2.76Å |
| 116 | E | 94.9 | Very high | 92.3 | Very high | 115 Ų | 115 | 101.3 Ų | 101.3 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 176.7 | -71.3 | 169.9 | -165.2 | 0 | 0 | 113.1 | K112 W113 R120 | K112-E116 WeakPolarHBondContact O-CB 3.43Å; K112-E116 WeakPolarHBondContact O-CG 3.21Å; K112-E116 PolarHBondContact O-N 3.43Å; W113-E116 PolarHBondContact O-N 2.9Å; E116-R120 VanDerWaalsContact O-CB 3.28Å; E116-R120 WeakPolarHBondContact O-CB 3.24Å; E116-R120 PolarHBondContact O-N 3.32Å |
| 117 | Q | 96.7 | Very high | 93.6 | Very high | 71 Ų | 71 | 100.8 Ų | 100.8 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 175.1 | -71.6 | -49.5 | -68 | 0 | 0 | 112.2 | W113 R114 E115 R120 L121 | W113-Q117 HydrophobicContact CD2-CG 4Å; W113-Q117 HydrophobicContact CE3-CG 4.4Å; W113-Q117 HydrophobicContact CH2-CG 4.1Å; W113-Q117 HydrophobicContact CZ2-CG 3.66Å; W113-Q117 HydrophobicContact CZ3-CG 4.45Å; W113-Q117 WeakPolarHBondContact O-CB 3.45Å; W113-Q117 VanDerWaalsContact O-CG 3.32Å; W113-Q117 WeakPolarHBondContact O-CG 3.49Å; W113-Q117 PolarHBondContact O-N 2.95Å; R114-Q117 PolarHBondContact O-N 3.16Å; E115-Q117 PolarHBondContact O-N 2.95Å; Q117-R120 PolarHBondContact O-N 3.25Å; Q117-L121 WeakPolarHBondContact O-CB 3.42Å; Q117-L121 WeakPolarHBondContact O-CG 3.34Å; Q117-L121 PolarHBondContact O-N 3.2Å |
| 118 | T | 96.4 | Very high | 94.3 | Very high | 89 Ų | 89 | 100.8 Ų | 100.8 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 176.4 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | R114 E115 R120 L121 E122 | R114-T118 WeakPolarHBondContact O-CB 3.26Å; R114-T118 PolarHBondContact O-N 3.04Å; R114-T118 PolarHBondContact O-OG1 3.37Å; R114-T118 VanDerWaalsContact O-OG1 3.04Å; E115-T118 PolarHBondContact O-N 2.87Å; T118-R120 VanDerWaalsContact C-N 3.34Å; T118-R120 PolarHBondContact O-N 2.82Å; T118-L121 PolarHBondContact O-N 3.22Å; T118-E122 WeakPolarHBondContact O-CB 3.48Å; T118-E122 PolarHBondContact O-N 2.97Å |
| 119 | E | 97.3 | Very high | 95.1 | Very high | 137 Ų | 137 | 102.9 Ų | 102.9 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | 175.3 | -176.6 | 178 | -165.9 | 0 | 0 | 111.5 | E115 L121 E122 A123 | E115-E119 WeakPolarHBondContact O-CB 3.28Å; E115-E119 PolarHBondContact O-N 2.76Å; E119-L121 PolarHBondContact O-N 3.13Å; E119-E122 PolarHBondContact O-N 2.98Å; E119-A123 VanDerWaalsContact O-CB 3.31Å; E119-A123 WeakPolarHBondContact O-CB 3.48Å; E119-A123 PolarHBondContact O-N 3.3Å |
| 120 | R | 97.4 | Very high | 95.7 | Very high | 185 Ų | 185 | 104.8 Ų | 104.8 | 70% | 0.698 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 177.1 | -175.2 | 179.6 | -179.3 | 120.3 | -0.3 | 112.8 | E116 Q117 T118 L124 | E116-R120 VanDerWaalsContact O-CB 3.28Å; E116-R120 WeakPolarHBondContact O-CB 3.24Å; E116-R120 PolarHBondContact O-N 3.32Å; Q117-R120 PolarHBondContact O-N 3.25Å; T118-R120 VanDerWaalsContact C-N 3.34Å; T118-R120 PolarHBondContact O-N 2.82Å; R120-L124 PolarHBondContact O-N 2.88Å; R120-L124 VanDerWaalsContact O-N 3.15Å |
| 121 | L | 97 | Very high | 96.3 | Very high | 102 Ų | 102 | 105.2 Ų | 105.2 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -46 | 176.1 | -73.5 | 169.6 | 0 | 0 | 0 | 111.1 | Q117 T118 E119 A123 L124 D125 | Q117-L121 WeakPolarHBondContact O-CB 3.42Å; Q117-L121 WeakPolarHBondContact O-CG 3.34Å; Q117-L121 PolarHBondContact O-N 3.2Å; T118-L121 PolarHBondContact O-N 3.22Å; E119-L121 PolarHBondContact O-N 3.13Å; L121-A123 VanDerWaalsContact C-N 3.3Å; L121-A123 PolarHBondContact O-N 3.47Å; L121-L124 WeakPolarHBondContact O-CB 3.35Å; L121-L124 PolarHBondContact O-N 3.2Å; L121-L124 VanDerWaalsContact O-N 3.08Å; L121-D125 PolarHBondContact O-N 2.93Å |
| 122 | E | 97.3 | Very high | 96.7 | Very high | 127 Ų | 127 | 107 Ų | 107 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -38.6 | 176.9 | -177 | 170 | -158.6 | 0 | 0 | 111.9 | T118 E119 L124 D125 A126 | T118-E122 WeakPolarHBondContact O-CB 3.48Å; T118-E122 PolarHBondContact O-N 2.97Å; E119-E122 PolarHBondContact O-N 2.98Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 3.43Å; E122-D125 PolarHBondContact O-N 3.38Å; E122-A126 WeakPolarHBondContact O-CB 3.34Å; E122-A126 PolarHBondContact O-N 3.37Å |
| 123 | A | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 104.5 Ų | 104.5 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | E119 L121 N127 | E119-A123 VanDerWaalsContact O-CB 3.31Å; E119-A123 WeakPolarHBondContact O-CB 3.48Å; E119-A123 PolarHBondContact O-N 3.3Å; L121-A123 VanDerWaalsContact C-N 3.3Å; L121-A123 PolarHBondContact O-N 3.47Å; A123-N127 VanDerWaalsContact O-CB 3.32Å; A123-N127 WeakPolarHBondContact O-CB 3.43Å; A123-N127 PolarHBondContact O-N 3.35Å |
| 124 | L | 97.8 | Very high | 97.2 | Very high | 111 Ų | 111 | 101.9 Ų | 101.9 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.4 | -44.9 | 175.7 | -171.8 | 64.6 | 0 | 0 | 0 | 111.4 | R120 L121 E122 A126 N127 S128 | R120-L124 PolarHBondContact O-N 2.88Å; R120-L124 VanDerWaalsContact O-N 3.15Å; L121-L124 WeakPolarHBondContact O-CB 3.35Å; L121-L124 PolarHBondContact O-N 3.2Å; L121-L124 VanDerWaalsContact O-N 3.08Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 3.43Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.02Å; L124-N127 PolarHBondContact O-N 3.49Å; L124-S128 WeakPolarHBondContact O-CB 3.45Å; L124-S128 PolarHBondContact O-N 3.15Å |
| 125 | D | 98.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 104.3 Ų | 104.3 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 176 | -74.9 | -11.1 | 0 | 0 | 0 | 112.4 | L121 E122 R129 | L121-D125 PolarHBondContact O-N 2.93Å; E122-D125 PolarHBondContact O-N 3.38Å; D125-R129 WeakPolarHBondContact O-CB 3.32Å; D125-R129 VanDerWaalsContact O-CG 3.31Å; D125-R129 WeakPolarHBondContact O-CG 3.4Å; D125-R129 PolarHBondContact O-N 2.94Å; D125-R129 VanDerWaalsContact O-N 3.1Å; D125-R129 PolarHBondContact O-NE 2.9Å; D125-R129 VanDerWaalsContact O-NE 3.08Å |
| 126 | A | 98.1 | Very high | 97.6 | Very high | 46 Ų | 46 | 106 Ų | 106 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E122 L124 K130 | E122-A126 WeakPolarHBondContact O-CB 3.34Å; E122-A126 PolarHBondContact O-N 3.37Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.02Å; A126-K130 WeakPolarHBondContact O-CB 3.32Å; A126-K130 PolarHBondContact O-N 3.13Å |
| 127 | N | 97.4 | Very high | 97.7 | Very high | 82 Ų | 82 | 107.2 Ų | 107.2 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 176 | -174.8 | -80.1 | 0 | 0 | 0 | 111.8 | A123 L124 K130 Q131 | A123-N127 VanDerWaalsContact O-CB 3.32Å; A123-N127 WeakPolarHBondContact O-CB 3.43Å; A123-N127 PolarHBondContact O-N 3.35Å; L124-N127 PolarHBondContact O-N 3.49Å; N127-K130 WeakPolarHBondContact O-CB 3.46Å; N127-K130 PolarHBondContact O-N 3.3Å; N127-Q131 PolarHBondContact O-N 3.44Å; N127-Q131 PolarHBondContact OD1-NE2 3.39Å |
| 128 | S | 97.2 | Very high | 97.8 | Very high | 68 Ų | 68 | 110.7 Ų | 110.7 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57 | -53.2 | 176.6 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | L124 K130 Q131 E132 | L124-S128 WeakPolarHBondContact O-CB 3.45Å; L124-S128 PolarHBondContact O-N 3.15Å; S128-K130 VanDerWaalsContact C-N 3.26Å; S128-K130 PolarHBondContact O-N 2.91Å; S128-Q131 PolarHBondContact O-N 3.21Å; S128-Q131 VanDerWaalsContact O-N 3.16Å; S128-E132 PolarHBondContact O-N 3.33Å |
| 129 | R | 97.9 | Very high | 97.9 | Very high | 152 Ų | 152 | 109.2 Ų | 109.2 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.3 | -34.6 | 176.6 | -73.5 | -180 | -68.6 | 171.5 | -2.8 | 113.1 | D125 A133 | D125-R129 WeakPolarHBondContact O-CB 3.32Å; D125-R129 VanDerWaalsContact O-CG 3.31Å; D125-R129 WeakPolarHBondContact O-CG 3.4Å; D125-R129 PolarHBondContact O-N 2.94Å; D125-R129 VanDerWaalsContact O-N 3.1Å; D125-R129 PolarHBondContact O-NE 2.9Å; D125-R129 VanDerWaalsContact O-NE 3.08Å; R129-A133 WeakPolarHBondContact O-CB 3.45Å; R129-A133 PolarHBondContact O-N 3.36Å |
| 130 | K | 98.3 | Very high | 98 | Very high | 125 Ų | 125 | 106.7 Ų | 106.7 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 176.1 | -173.2 | 174 | -174.5 | -80.6 | 0 | 111.6 | A126 N127 S128 A133 E134 | A126-K130 WeakPolarHBondContact O-CB 3.32Å; A126-K130 PolarHBondContact O-N 3.13Å; N127-K130 WeakPolarHBondContact O-CB 3.46Å; N127-K130 PolarHBondContact O-N 3.3Å; S128-K130 VanDerWaalsContact C-N 3.26Å; S128-K130 PolarHBondContact O-N 2.91Å; K130-A133 PolarHBondContact O-N 2.92Å; K130-E134 WeakPolarHBondContact CE-OE1 3.18Å; K130-E134 IonicContact NZ-OE1 3.91Å; K130-E134 PolarHBondContact NZ-OE1 2.63Å; K130-E134 WeakPolarHBondContact O-CB 3.34Å; K130-E134 WeakPolarHBondContact O-CG 3.35Å; K130-E134 PolarHBondContact O-N 2.91Å |
| 131 | Q | 97.8 | Very high | 98 | Very high | 82 Ų | 82 | 103.6 Ų | 103.6 | 38% | 0.383 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 176.4 | -70.8 | -170 | 81.6 | 0 | 0 | 111.9 | N127 S128 A133 E134 W135 | N127-Q131 PolarHBondContact O-N 3.44Å; N127-Q131 PolarHBondContact OD1-NE2 3.39Å; S128-Q131 PolarHBondContact O-N 3.21Å; S128-Q131 VanDerWaalsContact O-N 3.16Å; Q131-A133 PolarHBondContact O-N 3.46Å; Q131-E134 PolarHBondContact O-N 2.9Å; Q131-W135 WeakPolarHBondContact O-CB 3.42Å; Q131-W135 VanDerWaalsContact O-CG 3.27Å; Q131-W135 PolarHBondContact O-N 3Å |
| 132 | E | 97.9 | Very high | 98.1 | Very high | 124 Ų | 124 | 104.5 Ų | 104.5 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.7 | -45.2 | 175.2 | -167.5 | -163.9 | 152.2 | 0 | 0 | 111.5 | S128 W135 K136 | S128-E132 PolarHBondContact O-N 3.33Å; E132-W135 PolarHBondContact O-N 2.97Å; E132-K136 VanDerWaalsContact O-CB 3.24Å; E132-K136 WeakPolarHBondContact O-CB 3.43Å; E132-K136 PolarHBondContact O-N 3.15Å |
| 133 | A | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 102.9 Ų | 102.9 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R129 K130 Q131 K136 E137 | R129-A133 WeakPolarHBondContact O-CB 3.45Å; R129-A133 PolarHBondContact O-N 3.36Å; K130-A133 PolarHBondContact O-N 2.92Å; Q131-A133 PolarHBondContact O-N 3.46Å; A133-K136 PolarHBondContact O-N 3.42Å; A133-E137 WeakPolarHBondContact O-CB 3.45Å; A133-E137 PolarHBondContact O-N 2.96Å |
| 134 | E | 98.5 | Very high | 98.2 | Very high | 89 Ų | 89 | 105.9 Ų | 105.9 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 177.2 | -75.1 | 174.1 | -172.9 | 0 | 0 | 112.2 | K130 Q131 K138 | K130-E134 WeakPolarHBondContact CE-OE1 3.18Å; K130-E134 IonicContact NZ-OE1 3.91Å; K130-E134 PolarHBondContact NZ-OE1 2.63Å; K130-E134 WeakPolarHBondContact O-CB 3.34Å; K130-E134 WeakPolarHBondContact O-CG 3.35Å; K130-E134 PolarHBondContact O-N 2.91Å; Q131-E134 PolarHBondContact O-N 2.9Å; E134-K138 VanDerWaalsContact O-CB 3.31Å; E134-K138 WeakPolarHBondContact O-CB 3.39Å; E134-K138 PolarHBondContact O-N 2.91Å |
| 135 | W | 98.4 | Very high | 98.3 | Very high | 174 Ų | 174 | 104.8 Ų | 104.8 | 66% | 0.659 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68 | -39 | 176.1 | -68 | -5.7 | 0 | 0 | 0 | 112.1 | Q131 E132 K138 A139 | Q131-W135 WeakPolarHBondContact O-CB 3.42Å; Q131-W135 VanDerWaalsContact O-CG 3.27Å; Q131-W135 PolarHBondContact O-N 3Å; E132-W135 PolarHBondContact O-N 2.97Å; W135-K138 PolarHBondContact O-N 3Å; W135-A139 WeakPolarHBondContact O-CB 3.31Å; W135-A139 PolarHBondContact O-N 3.03Å |
| 136 | K | 98.5 | Very high | 98.3 | Very high | 132 Ų | 132 | 106.6 Ų | 106.6 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 175.7 | -174.5 | 175 | -176.4 | 173.5 | 0 | 112 | E132 A133 A139 I140 | E132-K136 VanDerWaalsContact O-CB 3.24Å; E132-K136 WeakPolarHBondContact O-CB 3.43Å; E132-K136 PolarHBondContact O-N 3.15Å; A133-K136 PolarHBondContact O-N 3.42Å; K136-A139 PolarHBondContact O-N 3.35Å; K136-I140 HydrophobicContact CG-CD1 4.04Å; K136-I140 WeakPolarHBondContact O-CD1 3.27Å; K136-I140 VanDerWaalsContact O-CG1 3.26Å; K136-I140 WeakPolarHBondContact O-CG1 3.37Å; K136-I140 PolarHBondContact O-N 3Å |
| 137 | E | 98.6 | Very high | 98.3 | Very high | 140 Ų | 140 | 110.8 Ų | 110.8 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 174.3 | -173.8 | -178 | 164.5 | 0 | 0 | 110.9 | A133 A139 I140 K141 | A133-E137 WeakPolarHBondContact O-CB 3.45Å; A133-E137 PolarHBondContact O-N 2.96Å; E137-A139 PolarHBondContact O-N 3.12Å; E137-I140 PolarHBondContact O-N 3.02Å; E137-K141 WeakPolarHBondContact O-CB 3.4Å; E137-K141 PolarHBondContact O-N 3.01Å |
| 138 | K | 98.6 | Very high | 98.4 | Very high | 144 Ų | 144 | 109.9 Ų | 109.9 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60 | -44.7 | 176.6 | -173.3 | -178.8 | 177.2 | -172.4 | 0 | 112.3 | E134 W135 K141 E142 | E134-K138 VanDerWaalsContact O-CB 3.31Å; E134-K138 WeakPolarHBondContact O-CB 3.39Å; E134-K138 PolarHBondContact O-N 2.91Å; W135-K138 PolarHBondContact O-N 3Å; K138-K141 PolarHBondContact O-N 2.98Å; K138-E142 WeakPolarHBondContact O-CB 3.49Å; K138-E142 PolarHBondContact O-N 2.88Å |
| 139 | A | 98.4 | Very high | 98.4 | Very high | 59 Ų | 59 | 112.1 Ų | 112.1 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W135 K136 E137 L143 | W135-A139 WeakPolarHBondContact O-CB 3.31Å; W135-A139 PolarHBondContact O-N 3.03Å; K136-A139 PolarHBondContact O-N 3.35Å; E137-A139 PolarHBondContact O-N 3.12Å; A139-L143 WeakPolarHBondContact O-CB 3.44Å; A139-L143 PolarHBondContact O-N 3Å; A139-L143 VanDerWaalsContact O-N 3.15Å |
| 140 | I | 98.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 109 Ų | 109 | 43% | 0.431 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 173.7 | -70.3 | 164.5 | 0 | 0 | 0 | 110 | K136 E137 E142 L143 E144 | K136-I140 HydrophobicContact CG-CD1 4.04Å; K136-I140 WeakPolarHBondContact O-CD1 3.27Å; K136-I140 VanDerWaalsContact O-CG1 3.26Å; K136-I140 WeakPolarHBondContact O-CG1 3.37Å; K136-I140 PolarHBondContact O-N 3Å; E137-I140 PolarHBondContact O-N 3.02Å; I140-E142 PolarHBondContact O-N 3.47Å; I140-L143 WeakPolarHBondContact O-CB 3.5Å; I140-L143 PolarHBondContact O-N 3.29Å; I140-E144 HydrophobicContact CG2-CG 4.41Å; I140-E144 WeakPolarHBondContact O-CG 3.46Å; I140-E144 PolarHBondContact O-N 3.24Å |
| 141 | K | 98.7 | Very high | 98.5 | Very high | 119 Ų | 119 | 106.8 Ų | 106.8 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | -180 | -178.6 | 177.5 | 174.3 | -179 | 0 | 112.6 | E137 K138 L143 E144 E145 | E137-K141 WeakPolarHBondContact O-CB 3.4Å; E137-K141 PolarHBondContact O-N 3.01Å; K138-K141 PolarHBondContact O-N 2.98Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 3.37Å; K141-E144 PolarHBondContact O-N 2.97Å; K141-E145 WeakPolarHBondContact CE-OE1 3.34Å; K141-E145 HydrophobicContact CG-CG 4.5Å; K141-E145 WeakPolarHBondContact O-CB 3.38Å; K141-E145 WeakPolarHBondContact O-CG 3.45Å; K141-E145 PolarHBondContact O-N 3.41Å |
| 142 | E | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 108.5 Ų | 108.5 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -37.7 | 177.7 | -174.9 | 172.4 | 168.3 | 0 | 0 | 111.9 | K138 I140 W146 | K138-E142 WeakPolarHBondContact O-CB 3.49Å; K138-E142 PolarHBondContact O-N 2.88Å; I140-E142 PolarHBondContact O-N 3.47Å; E142-W146 WeakPolarHBondContact O-CB 3.46Å; E142-W146 PolarHBondContact O-N 3.38Å |
| 143 | L | 98.4 | Very high | 98.5 | Very high | 92 Ų | 92 | 107.3 Ų | 107.3 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 174.9 | -177.9 | 63.9 | 0 | 0 | 0 | 112.1 | A139 I140 K141 W146 Y147 | A139-L143 WeakPolarHBondContact O-CB 3.44Å; A139-L143 PolarHBondContact O-N 3Å; A139-L143 VanDerWaalsContact O-N 3.15Å; I140-L143 WeakPolarHBondContact O-CB 3.5Å; I140-L143 PolarHBondContact O-N 3.29Å; K141-L143 VanDerWaalsContact C-N 3.29Å; K141-L143 PolarHBondContact O-N 3.37Å; L143-W146 WeakPolarHBondContact O-CB 3.45Å; L143-W146 PolarHBondContact O-N 2.76Å; L143-Y147 HydrophobicContact CD1-CD2 4.12Å; L143-Y147 HydrophobicContact CD1-CE2 3.54Å; L143-Y147 HydrophobicContact CD2-CE2 4.18Å; L143-Y147 HydrophobicContact CG-CD2 4.01Å; L143-Y147 HydrophobicContact CG-CE2 3.61Å; L143-Y147 WeakPolarHBondContact O-CD2 3.36Å; L143-Y147 PolarHBondContact O-N 3.22Å |
| 144 | E | 98.5 | Very high | 98.5 | Very high | 125 Ų | 125 | 108 Ų | 108 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -45.6 | 174.3 | -73.1 | 176.9 | 175.6 | 0 | 0 | 111.8 | I140 K141 W146 Y147 A148 | I140-E144 HydrophobicContact CG2-CG 4.41Å; I140-E144 WeakPolarHBondContact O-CG 3.46Å; I140-E144 PolarHBondContact O-N 3.24Å; K141-E144 PolarHBondContact O-N 2.97Å; E144-W146 VanDerWaalsContact C-N 3.29Å; E144-W146 PolarHBondContact O-N 3.41Å; E144-Y147 PolarHBondContact O-N 2.95Å; E144-A148 WeakPolarHBondContact O-CB 3.29Å; E144-A148 PolarHBondContact O-N 2.89Å |
| 145 | E | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 107.9 Ų | 107.9 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 174.7 | -72.8 | -179.6 | -166.6 | 0 | 0 | 112.3 | K141 R149 | K141-E145 WeakPolarHBondContact CE-OE1 3.34Å; K141-E145 HydrophobicContact CG-CG 4.5Å; K141-E145 WeakPolarHBondContact O-CB 3.38Å; K141-E145 WeakPolarHBondContact O-CG 3.45Å; K141-E145 PolarHBondContact O-N 3.41Å; E145-R149 VanDerWaalsContact CB-NH2 3.29Å; E145-R149 WeakPolarHBondContact O-CB 3.47Å; E145-R149 VanDerWaalsContact O-CG 3.29Å; E145-R149 WeakPolarHBondContact O-CG 3.45Å; E145-R149 PolarHBondContact O-N 3.41Å; E145-R149 PolarHBondContact O-NE 2.92Å; E145-R149 IonicContact OE2-NH2 2.76Å; E145-R149 PolarHBondContact OE2-NH2 3.06Å |
| 146 | W | 98.7 | Very high | 98.5 | Very high | 136 Ų | 136 | 105.8 Ų | 105.8 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 174.8 | -175.9 | 94.9 | 0 | 0 | 0 | 111.5 | E142 L143 E144 R149 Q150 | E142-W146 WeakPolarHBondContact O-CB 3.46Å; E142-W146 PolarHBondContact O-N 3.38Å; L143-W146 WeakPolarHBondContact O-CB 3.45Å; L143-W146 PolarHBondContact O-N 2.76Å; E144-W146 VanDerWaalsContact C-N 3.29Å; E144-W146 PolarHBondContact O-N 3.41Å; W146-R149 PolarHBondContact O-N 2.92Å; W146-Q150 HydrophobicContact CH2-CG 4.32Å; W146-Q150 HydrophobicContact CZ3-CB 4.42Å; W146-Q150 HydrophobicContact CZ3-CG 4.46Å; W146-Q150 WeakPolarHBondContact O-CB 3.37Å; W146-Q150 PolarHBondContact O-N 2.91Å |
| 147 | Y | 98.5 | Very high | 98.5 | Very high | 135 Ų | 135 | 103 Ų | 103 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.7 | -76 | -62.1 | 0 | 0 | 0 | 112.1 | L143 E144 Q150 D151 | L143-Y147 HydrophobicContact CD1-CD2 4.12Å; L143-Y147 HydrophobicContact CD1-CE2 3.54Å; L143-Y147 HydrophobicContact CD2-CE2 4.18Å; L143-Y147 HydrophobicContact CG-CD2 4.01Å; L143-Y147 HydrophobicContact CG-CE2 3.61Å; L143-Y147 WeakPolarHBondContact O-CD2 3.36Å; L143-Y147 PolarHBondContact O-N 3.22Å; E144-Y147 PolarHBondContact O-N 2.95Å; Y147-Q150 PolarHBondContact O-N 3.44Å; Y147-D151 PolarHBondContact O-N 3.29Å |
| 148 | A | 98.7 | Very high | 98.5 | Very high | 62 Ų | 62 | 101 Ų | 101 | 51% | 0.512 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E144 Q150 D151 E152 | E144-A148 WeakPolarHBondContact O-CB 3.29Å; E144-A148 PolarHBondContact O-N 2.89Å; A148-Q150 VanDerWaalsContact C-N 3.32Å; A148-Q150 PolarHBondContact O-N 3.23Å; A148-D151 PolarHBondContact O-N 2.92Å; A148-E152 WeakPolarHBondContact O-CB 3.48Å; A148-E152 PolarHBondContact O-N 2.87Å |
| 149 | R | 98.4 | Very high | 98.5 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 174 | -76.3 | 178.2 | -102.3 | 125.2 | -9.4 | 111.9 | E145 W146 Q153 | E145-R149 VanDerWaalsContact CB-NH2 3.29Å; E145-R149 WeakPolarHBondContact O-CB 3.47Å; E145-R149 VanDerWaalsContact O-CG 3.29Å; E145-R149 WeakPolarHBondContact O-CG 3.45Å; E145-R149 PolarHBondContact O-N 3.41Å; E145-R149 PolarHBondContact O-NE 2.92Å; E145-R149 IonicContact OE2-NH2 2.76Å; E145-R149 PolarHBondContact OE2-NH2 3.06Å; W146-R149 PolarHBondContact O-N 2.92Å; R149-Q153 WeakPolarHBondContact O-CG 3.41Å; R149-Q153 PolarHBondContact O-N 3.44Å; R149-Q153 VanDerWaalsContact O-N 3.09Å |
| 150 | Q | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 99.3 Ų | 99.3 | 41% | 0.407 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 179 | -171.7 | -89.4 | -89.4 | 0 | 0 | 111.6 | W146 Y147 A148 L154 | W146-Q150 HydrophobicContact CH2-CG 4.32Å; W146-Q150 HydrophobicContact CZ3-CB 4.42Å; W146-Q150 HydrophobicContact CZ3-CG 4.46Å; W146-Q150 WeakPolarHBondContact O-CB 3.37Å; W146-Q150 PolarHBondContact O-N 2.91Å; Y147-Q150 PolarHBondContact O-N 3.44Å; A148-Q150 VanDerWaalsContact C-N 3.32Å; A148-Q150 PolarHBondContact O-N 3.23Å; Q150-L154 WeakPolarHBondContact O-CB 3.29Å; Q150-L154 PolarHBondContact O-N 3.34Å |
| 151 | D | 98.4 | Very high | 98.5 | Very high | 77 Ų | 77 | 100.2 Ų | 100.2 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 176.3 | -172.9 | 59.3 | 0 | 0 | 0 | 111 | Y147 A148 Q153 L154 Q155 | Y147-D151 PolarHBondContact O-N 3.29Å; A148-D151 PolarHBondContact O-N 2.92Å; D151-Q153 VanDerWaalsContact C-N 3.33Å; D151-Q153 PolarHBondContact O-N 2.82Å; D151-L154 CarbonylContact O-C 3.54Å; D151-L154 WeakPolarHBondContact O-CA 3.43Å; D151-L154 WeakPolarHBondContact O-CB 3.29Å; D151-L154 PolarHBondContact O-N 2.78Å; D151-Q155 WeakPolarHBondContact O-CG 3.22Å; D151-Q155 PolarHBondContact O-N 3.44Å; D151-Q155 PolarHBondContact OD1-NE2 2.96Å; D151-Q155 WeakPolarHBondContact OD2-CG 3.47Å |
| 152 | E | 98.4 | Very high | 98.4 | Very high | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -54.4 | -47.7 | 176.8 | -166.9 | -158.9 | 154.7 | 0 | 0 | 111.8 | A148 L154 Q155 K156 | A148-E152 WeakPolarHBondContact O-CB 3.48Å; A148-E152 PolarHBondContact O-N 2.87Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.37Å; E152-Q155 PolarHBondContact O-N 2.99Å; E152-K156 VanDerWaalsContact O-CB 3.22Å; E152-K156 WeakPolarHBondContact O-CB 3.14Å; E152-K156 PolarHBondContact O-N 3.27Å |
| 153 | Q | 98.4 | Very high | 98.4 | Very high | 99 Ų | 99 | 99.4 Ų | 99.4 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 175.8 | -66.9 | -51.2 | -49.7 | 0 | 0 | 112.5 | R149 D151 T157 | R149-Q153 WeakPolarHBondContact O-CG 3.41Å; R149-Q153 PolarHBondContact O-N 3.44Å; R149-Q153 VanDerWaalsContact O-N 3.09Å; D151-Q153 VanDerWaalsContact C-N 3.33Å; D151-Q153 PolarHBondContact O-N 2.82Å; Q153-T157 WeakPolarHBondContact O-CB 3.36Å; Q153-T157 PolarHBondContact O-N 3.41Å; Q153-T157 PolarHBondContact O-OG1 2.8Å |
| 154 | L | 98.5 | Very high | 98.3 | Very high | 72 Ų | 72 | 97.4 Ų | 97.4 | 38% | 0.377 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 177.3 | 178.8 | 63.3 | 0 | 0 | 0 | 111.6 | Q150 D151 E152 T157 K158 | Q150-L154 WeakPolarHBondContact O-CB 3.29Å; Q150-L154 PolarHBondContact O-N 3.34Å; D151-L154 CarbonylContact O-C 3.54Å; D151-L154 WeakPolarHBondContact O-CA 3.43Å; D151-L154 WeakPolarHBondContact O-CB 3.29Å; D151-L154 PolarHBondContact O-N 2.78Å; E152-L154 VanDerWaalsContact C-N 3.33Å; E152-L154 PolarHBondContact O-N 3.37Å; L154-T157 PolarHBondContact O-N 2.91Å; L154-K158 HydrophobicContact CG-CD 4.28Å; L154-K158 VanDerWaalsContact O-CG 3.29Å; L154-K158 WeakPolarHBondContact O-CG 3.4Å; L154-K158 PolarHBondContact O-N 3.38Å |
| 155 | Q | 98.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 96.9 Ų | 96.9 | 40% | 0.402 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 176.7 | -57.9 | -51 | -27.7 | 0 | 0 | 111.2 | D151 E152 T157 K158 A159 | D151-Q155 WeakPolarHBondContact O-CG 3.22Å; D151-Q155 PolarHBondContact O-N 3.44Å; D151-Q155 PolarHBondContact OD1-NE2 2.96Å; D151-Q155 WeakPolarHBondContact OD2-CG 3.47Å; E152-Q155 PolarHBondContact O-N 2.99Å; Q155-T157 VanDerWaalsContact C-N 3.33Å; Q155-T157 PolarHBondContact O-N 3.3Å; Q155-K158 PolarHBondContact O-N 3.29Å; Q155-A159 VanDerWaalsContact O-CB 3.29Å; Q155-A159 WeakPolarHBondContact O-CB 3.44Å; Q155-A159 PolarHBondContact O-N 3.09Å |
| 156 | K | 98.5 | Very high | 97.9 | Very high | 129 Ų | 129 | 98 Ų | 98 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 173.6 | -174.4 | 177.9 | -176.7 | 177.7 | 0 | 112.1 | E152 A159 N160 | E152-K156 VanDerWaalsContact O-CB 3.22Å; E152-K156 WeakPolarHBondContact O-CB 3.14Å; E152-K156 PolarHBondContact O-N 3.27Å; K156-A159 PolarHBondContact O-N 2.97Å; K156-N160 WeakPolarHBondContact O-CB 3.45Å; K156-N160 PolarHBondContact O-N 2.94Å |
| 157 | T | 98.4 | Very high | 97.6 | Very high | 75 Ų | 75 | 94.3 Ų | 94.3 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 176 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | Q153 L154 Q155 A159 N160 N161 | Q153-T157 WeakPolarHBondContact O-CB 3.36Å; Q153-T157 PolarHBondContact O-N 3.41Å; Q153-T157 PolarHBondContact O-OG1 2.8Å; L154-T157 PolarHBondContact O-N 2.91Å; Q155-T157 VanDerWaalsContact C-N 3.33Å; Q155-T157 PolarHBondContact O-N 3.3Å; T157-A159 PolarHBondContact O-N 2.99Å; T157-N160 PolarHBondContact O-N 2.83Å; T157-N161 WeakPolarHBondContact O-CB 3.33Å; T157-N161 VanDerWaalsContact O-CG 3.32Å; T157-N161 PolarHBondContact O-N 2.92Å; T157-N161 PolarHBondContact O-ND2 3.47Å |
| 158 | K | 98.4 | Very high | 97.2 | Very high | 96 Ų | 96 | 93.4 Ų | 93.4 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.3 | -72.6 | 165.8 | -178.3 | 166.6 | 0 | 112.2 | L154 Q155 R162 | L154-K158 HydrophobicContact CG-CD 4.28Å; L154-K158 VanDerWaalsContact O-CG 3.29Å; L154-K158 WeakPolarHBondContact O-CG 3.4Å; L154-K158 PolarHBondContact O-N 3.38Å; Q155-K158 PolarHBondContact O-N 3.29Å; K158-R162 WeakPolarHBondContact O-CB 3.35Å; K158-R162 PolarHBondContact O-N 2.84Å |
| 159 | A | 98.4 | Very high | 96.7 | Very high | 59 Ų | 59 | 93.2 Ų | 93.2 | 49% | 0.488 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q155 K156 T157 R162 A163 | Q155-A159 VanDerWaalsContact O-CB 3.29Å; Q155-A159 WeakPolarHBondContact O-CB 3.44Å; Q155-A159 PolarHBondContact O-N 3.09Å; K156-A159 PolarHBondContact O-N 2.97Å; T157-A159 PolarHBondContact O-N 2.99Å; A159-R162 PolarHBondContact O-N 2.9Å; A159-A163 WeakPolarHBondContact O-CB 3.44Å; A159-A163 PolarHBondContact O-N 3.42Å |
| 160 | N | 98.1 | Very high | 96.2 | Very high | 110 Ų | 110 | 92.2 Ų | 92.2 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.8 | -50.7 | 174.7 | -171.9 | -30.4 | 0 | 0 | 0 | 111.1 | K156 T157 R162 A163 A164 | K156-N160 WeakPolarHBondContact O-CB 3.45Å; K156-N160 PolarHBondContact O-N 2.94Å; T157-N160 PolarHBondContact O-N 2.83Å; N160-R162 VanDerWaalsContact C-N 3.28Å; N160-R162 PolarHBondContact O-N 3.24Å; N160-A163 PolarHBondContact O-N 3.18Å; N160-A164 WeakPolarHBondContact O-CB 3.34Å; N160-A164 PolarHBondContact O-N 3.41Å |
| 161 | N | 98.1 | Very high | 95.5 | Very high | 103 Ų | 103 | 91.5 Ų | 91.5 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.8 | -39.9 | 177 | -72.6 | -28.4 | 0 | 0 | 0 | 112.4 | T157 E165 | T157-N161 WeakPolarHBondContact O-CB 3.33Å; T157-N161 VanDerWaalsContact O-CG 3.32Å; T157-N161 PolarHBondContact O-N 2.92Å; T157-N161 PolarHBondContact O-ND2 3.47Å; N161-E165 WeakPolarHBondContact O-CB 3.28Å; N161-E165 PolarHBondContact O-N 3.48Å |
| 162 | R | 98 | Very high | 94.7 | Very high | 168 Ų | 168 | 91.7 Ų | 91.7 | 63% | 0.634 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.3 | -47.1 | 175.9 | -171.1 | -176.3 | -57.4 | -173.1 | 2.4 | 112 | K158 A159 N160 A164 E165 E166 | K158-R162 WeakPolarHBondContact O-CB 3.35Å; K158-R162 PolarHBondContact O-N 2.84Å; A159-R162 PolarHBondContact O-N 2.9Å; N160-R162 VanDerWaalsContact C-N 3.28Å; N160-R162 PolarHBondContact O-N 3.24Å; R162-A164 VanDerWaalsContact C-N 3.29Å; R162-A164 PolarHBondContact O-N 2.85Å; R162-E165 PolarHBondContact O-N 3.26Å; R162-E166 WeakPolarHBondContact CD-OE1 3.41Å; R162-E166 HydrophobicContact CG-CG 4.38Å; R162-E166 VanDerWaalsContact CG-OE1 3.28Å; R162-E166 WeakPolarHBondContact CG-OE1 3.4Å; R162-E166 WeakPolarHBondContact O-CB 3.42Å; R162-E166 WeakPolarHBondContact O-CG 3.47Å; R162-E166 PolarHBondContact O-N 2.89Å |
| 163 | A | 97.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 91.5 Ų | 91.5 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -34.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A159 N160 A167 | A159-A163 WeakPolarHBondContact O-CB 3.44Å; A159-A163 PolarHBondContact O-N 3.42Å; N160-A163 PolarHBondContact O-N 3.18Å; A163-A167 VanDerWaalsContact O-CB 3.23Å; A163-A167 WeakPolarHBondContact O-CB 3.28Å; A163-A167 PolarHBondContact O-N 3.14Å |
| 164 | A | 96.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | N160 R162 A167 F168 | N160-A164 WeakPolarHBondContact O-CB 3.34Å; N160-A164 PolarHBondContact O-N 3.41Å; R162-A164 VanDerWaalsContact C-N 3.29Å; R162-A164 PolarHBondContact O-N 2.85Å; A164-A167 PolarHBondContact O-N 3.16Å; A164-F168 VanDerWaalsContact O-CB 3.28Å; A164-F168 WeakPolarHBondContact O-CB 3.36Å; A164-F168 PolarHBondContact O-N 3.41Å |
| 165 | E | 95.4 | Very high | 91.4 | Very high | 114 Ų | 114 | 93.9 Ų | 93.9 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 174.7 | -172.7 | 66.6 | -169.2 | 0 | 0 | 111.5 | N161 R162 A167 F168 V169 | N161-E165 WeakPolarHBondContact O-CB 3.28Å; N161-E165 PolarHBondContact O-N 3.48Å; R162-E165 PolarHBondContact O-N 3.26Å; E165-A167 VanDerWaalsContact C-N 3.33Å; E165-A167 PolarHBondContact O-N 2.9Å; E165-F168 PolarHBondContact O-N 3.49Å; E165-F168 VanDerWaalsContact O-N 3.16Å; E165-V169 WeakPolarHBondContact O-CG2 3.35Å; E165-V169 PolarHBondContact O-N 3.42Å |
| 166 | E | 94.6 | Very high | 90.4 | Very high | 110 Ų | 110 | 93.4 Ų | 93.4 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 175 | -74.2 | 170.8 | -169.3 | 0 | 0 | 111.2 | R162 N170 | R162-E166 WeakPolarHBondContact CD-OE1 3.41Å; R162-E166 HydrophobicContact CG-CG 4.38Å; R162-E166 VanDerWaalsContact CG-OE1 3.28Å; R162-E166 WeakPolarHBondContact CG-OE1 3.4Å; R162-E166 WeakPolarHBondContact O-CB 3.42Å; R162-E166 WeakPolarHBondContact O-CG 3.47Å; R162-E166 PolarHBondContact O-N 2.89Å; E166-N170 WeakPolarHBondContact O-CB 3.38Å; E166-N170 PolarHBondContact O-N 3.04Å; E166-N170 PolarHBondContact O-ND2 3.3Å |
| 167 | A | 91.8 | Very high | 89.4 | Confident | 59 Ų | 59 | 92.1 Ų | 92.1 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A163 A164 E165 N170 D171 | A163-A167 VanDerWaalsContact O-CB 3.23Å; A163-A167 WeakPolarHBondContact O-CB 3.28Å; A163-A167 PolarHBondContact O-N 3.14Å; A164-A167 PolarHBondContact O-N 3.16Å; E165-A167 VanDerWaalsContact C-N 3.33Å; E165-A167 PolarHBondContact O-N 2.9Å; A167-N170 PolarHBondContact O-N 3.08Å; A167-D171 PolarHBondContact O-N 2.89Å |
| 168 | F | 89.3 | Confident | 88.5 | Confident | 115 Ų | 115 | 90 Ų | 90 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 177 | 176.7 | -108 | 0 | 0 | 0 | 112.2 | A164 E165 D171 I172 | A164-F168 VanDerWaalsContact O-CB 3.28Å; A164-F168 WeakPolarHBondContact O-CB 3.36Å; A164-F168 PolarHBondContact O-N 3.41Å; E165-F168 PolarHBondContact O-N 3.49Å; E165-F168 VanDerWaalsContact O-N 3.16Å; F168-D171 PolarHBondContact O-N 3.48Å; F168-I172 HydrophobicContact CD1-CD1 3.99Å; F168-I172 HydrophobicContact CD2-CD1 4.48Å; F168-I172 HydrophobicContact CE1-CD1 3.53Å; F168-I172 HydrophobicContact CE2-CD1 4.08Å; F168-I172 HydrophobicContact CG-CD1 4.45Å; F168-I172 HydrophobicContact CZ-CD1 3.59Å; F168-I172 WeakPolarHBondContact O-CG1 3.47Å; F168-I172 PolarHBondContact O-N 2.98Å |
| 169 | V | 88.8 | Confident | 87.8 | Confident | 58 Ų | 58 | 87.5 Ų | 87.5 | 35% | 0.352 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 173.7 | 172 | 0 | 0 | 0 | 0 | 110.5 | E165 D171 I172 D173 | E165-V169 WeakPolarHBondContact O-CG2 3.35Å; E165-V169 PolarHBondContact O-N 3.42Å; V169-D171 PolarHBondContact O-N 3.47Å; V169-I172 WeakPolarHBondContact O-CB 3.44Å; V169-I172 PolarHBondContact O-N 2.93Å; V169-I172 VanDerWaalsContact O-N 3.14Å; V169-D173 WeakPolarHBondContact O-CB 3.39Å; V169-D173 PolarHBondContact O-N 3.3Å |
| 170 | N | 88.1 | Confident | 87.3 | Confident | 95 Ų | 95 | 87.8 Ų | 87.8 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.4 | -69.9 | -28.3 | 0 | 0 | 0 | 112.9 | E166 A167 I172 D173 E174 | E166-N170 WeakPolarHBondContact O-CB 3.38Å; E166-N170 PolarHBondContact O-N 3.04Å; E166-N170 PolarHBondContact O-ND2 3.3Å; A167-N170 PolarHBondContact O-N 3.08Å; N170-I172 PolarHBondContact O-N 3.19Å; N170-D173 PolarHBondContact O-N 3.04Å; N170-E174 WeakPolarHBondContact O-CB 3.38Å; N170-E174 WeakPolarHBondContact O-CG 3.23Å; N170-E174 PolarHBondContact O-N 3.47Å |
| 171 | D | 84.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.2 | -22.5 | 175.9 | -166.7 | 62.6 | 0 | 0 | 0 | 112.9 | A167 F168 V169 R186 | A167-D171 PolarHBondContact O-N 2.89Å; F168-D171 PolarHBondContact O-N 3.48Å; V169-D171 PolarHBondContact O-N 3.47Å; D171-R186 IonicContact OD1-CZ 3.11Å; D171-R186 IonicContact OD1-NH1 3.52Å; D171-R186 PolarHBondContact OD1-NH1 2.8Å; D171-R186 IonicContact OD2-NH1 2.79Å; D171-R186 PolarHBondContact OD2-NH1 3.35Å |
| 172 | I | 81.4 | Confident | 86.3 | Confident | 81 Ų | 81 | 85.3 Ų | 85.3 | 42% | 0.415 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -80.2 | -46.9 | 172.9 | -69.9 | 169.7 | 0 | 0 | 0 | 111 | F168 V169 N170 R183 | F168-I172 HydrophobicContact CD1-CD1 3.99Å; F168-I172 HydrophobicContact CD2-CD1 4.48Å; F168-I172 HydrophobicContact CE1-CD1 3.53Å; F168-I172 HydrophobicContact CE2-CD1 4.08Å; F168-I172 HydrophobicContact CG-CD1 4.45Å; F168-I172 HydrophobicContact CZ-CD1 3.59Å; F168-I172 WeakPolarHBondContact O-CG1 3.47Å; F168-I172 PolarHBondContact O-N 2.98Å; V169-I172 WeakPolarHBondContact O-CB 3.44Å; V169-I172 PolarHBondContact O-N 2.93Å; V169-I172 VanDerWaalsContact O-N 3.14Å; N170-I172 PolarHBondContact O-N 3.19Å; I172-R183 PolarHBondContact O-NH1 3.36Å |
| 173 | D | 79.3 | Confident | 85.8 | Confident | 113 Ų | 113 | 80.7 Ų | 80.7 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -75.3 | -25.4 | -175 | -81.2 | -7.9 | 0 | 0 | 0 | 113.3 | V169 N170 S175 | V169-D173 WeakPolarHBondContact O-CB 3.39Å; V169-D173 PolarHBondContact O-N 3.3Å; N170-D173 PolarHBondContact O-N 3.04Å; D173-S175 PolarHBondContact O-N 2.73Å; D173-S175 PolarHBondContact O-OG 2.97Å |
| 174 | E | 75.2 | Confident | 85.3 | Confident | 151 Ų | 151 | 81 Ų | 81 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | trans | -68.4 | 54.5 | 167.9 | -75.4 | -165.9 | 161.2 | 0 | 0 | 112.5 | N170 S176 | N170-E174 WeakPolarHBondContact O-CB 3.38Å; N170-E174 WeakPolarHBondContact O-CG 3.23Å; N170-E174 PolarHBondContact O-N 3.47Å; E174-S176 PolarHBondContact O-N 2.89Å | ||
| 175 | S | 70.5 | Confident | 85 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 49% | 0.49 | 43% | 0.426 | S | S | . | . | trans | -82.6 | 57.4 | -178.1 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | D173 | D173-S175 PolarHBondContact O-N 2.73Å; D173-S175 PolarHBondContact O-OG 2.97Å | ||
| 176 | S | 77.5 | Confident | 84.6 | Confident | 77 Ų | 77 | 79.4 Ų | 79.4 | 54% | 0.538 | 42% | 0.423 | S | S | . | . | trans | -63.3 | 131.3 | 172.8 | -169.2 | 0 | 0 | 0 | 0 | 111 | E174 G178 T179 | E174-S176 PolarHBondContact O-N 2.89Å; S176-G178 PolarHBondContact O-N 3.49Å; S176-T179 PolarHBondContact O-N 3.34Å; S176-T179 PolarHBondContact O-OG1 3.39Å | ||
| 177 | P | 79.3 | Confident | 84.2 | Confident | 101 Ų | 101 | 81.2 Ų | 81.2 | 66% | 0.656 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 129.1 | 178.7 | -26.3 | 34.8 | 0 | 0 | 0 | 112.5 | E180 | P177-E180 WeakPolarHBondContact CA-OE1 3.36Š|
| 178 | G | 78.2 | Confident | 84.1 | Confident | 32 Ų | 32 | 80.3 Ų | 80.3 | 33% | 0.33 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.5 | -6.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | S176 E180 H218 | S176-G178 PolarHBondContact O-N 3.49Å; G178-E180 WeakPolarHBondContact CA-OE2 3.44Å; G178-E180 VanDerWaalsContact N-CD 3.31Å; G178-E180 PolarHBondContact N-OE1 3.48Å; G178-E180 PolarHBondContact N-OE2 3.31Å; G178-H218 PolarHBondContact N-NE2 2.84Å |
| 179 | T | 84.1 | Confident | 83.9 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | trans | -93.5 | 1.1 | 177.2 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | S176 W181 E182 R183 | S176-T179 PolarHBondContact O-N 3.34Å; S176-T179 PolarHBondContact O-OG1 3.39Å; T179-W181 PolarHBondContact O-N 2.98Å; T179-E182 WeakPolarHBondContact O-CB 2.98Å; T179-E182 PolarHBondContact O-N 3.36Å; T179-R183 PolarHBondContact O-N 3Å | ||
| 180 | E | 87.1 | Confident | 83.8 | Confident | 65 Ų | 65 | 79.4 Ų | 79.4 | 30% | 0.304 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | -167.1 | -55.4 | 79.9 | -173.9 | 0 | 0 | 112 | P177 G178 E182 R183 V184 H218 | P177-E180 WeakPolarHBondContact CA-OE1 3.36Å; G178-E180 WeakPolarHBondContact CA-OE2 3.44Å; G178-E180 VanDerWaalsContact N-CD 3.31Å; G178-E180 PolarHBondContact N-OE1 3.48Å; G178-E180 PolarHBondContact N-OE2 3.31Å; E180-E182 VanDerWaalsContact C-N 3.3Å; E180-E182 PolarHBondContact O-N 3.24Å; E180-R183 PolarHBondContact O-N 3.45Å; E180-V184 WeakPolarHBondContact O-CG2 3.35Å; E180-V184 PolarHBondContact O-N 2.89Å; E180-H218 IonicContact OE1-CE1 3.89Å; E180-H218 IonicContact OE1-NE2 2.67Å; E180-H218 IonicContact OE2-NE2 3.42Å |
| 181 | W | 88.7 | Confident | 83.7 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 32% | 0.318 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71 | -25 | 176.9 | -68 | 111.3 | 0 | 0 | 0 | 113.2 | T179 V184 A185 L208 L211 | T179-W181 PolarHBondContact O-N 2.98Å; W181-V184 HydrophobicContact CE3-CB 4.41Å; W181-V184 HydrophobicContact CE3-CG1 4.38Å; W181-V184 HydrophobicContact CZ3-CG1 4.45Å; W181-A185 WeakPolarHBondContact O-CB 3.15Å; W181-A185 PolarHBondContact O-N 2.67Å; W181-L208 HydrophobicContact CE3-CD2 4.38Å; W181-L208 HydrophobicContact CZ3-CD2 3.96Å; W181-L211 HydrophobicContact CB-CB 4.21Å; W181-L211 VanDerWaalsContact CB-O 3.28Å; W181-L211 WeakPolarHBondContact CB-O 3.46Å; W181-L211 HydrophobicContact CD2-CB 3.58Å; W181-L211 HydrophobicContact CD2-CD1 4.1Å; W181-L211 HydrophobicContact CD2-CG 4.27Å; W181-L211 HydrophobicContact CE3-CB 3.79Å; W181-L211 HydrophobicContact CE3-CD1 3.88Å; W181-L211 HydrophobicContact CE3-CG 4.42Å; W181-L211 HydrophobicContact CG-CB 3.75Å; W181-L211 HydrophobicContact CH2-CD1 3.66Å; W181-L211 HydrophobicContact CZ2-CD1 3.86Å; W181-L211 HydrophobicContact CZ2-CD2 4.37Å; W181-L211 HydrophobicContact CZ3-CB 4.45Å; W181-L211 HydrophobicContact CZ3-CD1 3.66Å |
| 182 | E | 87.1 | Confident | 83.4 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 36% | 0.36 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.7 | -45.2 | 172.3 | -156.5 | -168.7 | 137.6 | 0 | 0 | 111 | T179 E180 A185 R186 K212 | T179-E182 WeakPolarHBondContact O-CB 2.98Å; T179-E182 PolarHBondContact O-N 3.36Å; E180-E182 VanDerWaalsContact C-N 3.3Å; E180-E182 PolarHBondContact O-N 3.24Å; E182-A185 PolarHBondContact O-N 3.35Å; E182-R186 WeakPolarHBondContact O-CG 3.09Å; E182-R186 PolarHBondContact O-N 3.19Å; E182-R186 IonicContact OE1-CZ 3.92Å; E182-R186 IonicContact OE1-NE 3.55Å; E182-R186 PolarHBondContact OE1-NE 2.84Å; E182-R186 IonicContact OE1-NH2 2.72Å; E182-R186 PolarHBondContact OE1-NH2 3Å; E182-K212 HydrophobicContact CG-CG 4.42Å |
| 183 | R | 86.8 | Confident | 83.3 | Confident | 72 Ų | 72 | 85.4 Ų | 85.4 | 27% | 0.272 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 175 | -69.5 | -172.5 | -71.3 | 155.4 | 0.9 | 111.8 | I172 T179 E180 A185 R186 L187 | I172-R183 PolarHBondContact O-NH1 3.36Å; T179-R183 PolarHBondContact O-N 3Å; E180-R183 PolarHBondContact O-N 3.45Å; R183-A185 VanDerWaalsContact C-N 3.27Å; R183-A185 PolarHBondContact O-N 3.28Å; R183-R186 PolarHBondContact O-N 3.34Å; R183-R186 VanDerWaalsContact O-N 3.17Å; R183-L187 PolarHBondContact O-N 2.55Å |
| 184 | V | 88.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 81.8 Ų | 81.8 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.3 | -41.4 | 173.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | E180 W181 L187 C188 L208 | E180-V184 WeakPolarHBondContact O-CG2 3.35Å; E180-V184 PolarHBondContact O-N 2.89Å; W181-V184 HydrophobicContact CE3-CB 4.41Å; W181-V184 HydrophobicContact CE3-CG1 4.38Å; W181-V184 HydrophobicContact CZ3-CG1 4.45Å; V184-L187 PolarHBondContact O-N 2.78Å; V184-C188 PolarHBondContact O-N 2.79Å; V184-C188 PolarHBondContact O-SG 3.36Å; V184-L208 HydrophobicContact CG1-CD2 3.96Å |
| 185 | A | 88.6 | Confident | 83.1 | Confident | 5 Ų | 5 | 77 Ų | 77 | 4% | 0.041 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.1 | -30.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W181 E182 R183 L187 C188 F190 K212 | W181-A185 WeakPolarHBondContact O-CB 3.15Å; W181-A185 PolarHBondContact O-N 2.67Å; E182-A185 PolarHBondContact O-N 3.35Å; R183-A185 VanDerWaalsContact C-N 3.27Å; R183-A185 PolarHBondContact O-N 3.28Å; A185-L187 VanDerWaalsContact C-N 3.29Å; A185-L187 PolarHBondContact O-N 2.99Å; A185-C188 PolarHBondContact O-N 3.43Å; A185-F190 HydrophobicContact CB-CE2 3.94Å; A185-F190 HydrophobicContact CB-CZ 4.37Å; A185-F190 WeakPolarHBondContact O-CE2 3.19Å; A185-K212 HydrophobicContact CB-CB 4.09Å; A185-K212 HydrophobicContact CB-CD 3.69Å; A185-K212 HydrophobicContact CB-CG 4.05Å |
| 186 | R | 86.7 | Confident | 83.3 | Confident | 127 Ų | 127 | 83.4 Ų | 83.4 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 173 | -71.6 | 176.8 | -167.2 | 177.2 | 3.7 | 112.1 | D171 E182 R183 C188 | D171-R186 IonicContact OD1-CZ 3.11Å; D171-R186 IonicContact OD1-NH1 3.52Å; D171-R186 PolarHBondContact OD1-NH1 2.8Å; D171-R186 IonicContact OD2-NH1 2.79Å; D171-R186 PolarHBondContact OD2-NH1 3.35Å; E182-R186 WeakPolarHBondContact O-CG 3.09Å; E182-R186 PolarHBondContact O-N 3.19Å; E182-R186 IonicContact OE1-CZ 3.92Å; E182-R186 IonicContact OE1-NE 3.55Å; E182-R186 PolarHBondContact OE1-NE 2.84Å; E182-R186 IonicContact OE1-NH2 2.72Å; E182-R186 PolarHBondContact OE1-NH2 3Å; R183-R186 PolarHBondContact O-N 3.34Å; R183-R186 VanDerWaalsContact O-N 3.17Å; R186-C188 VanDerWaalsContact C-N 3.3Å |
| 187 | L | 88 | Confident | 83.1 | Confident | 148 Ų | 148 | 86.3 Ų | 86.3 | 78% | 0.775 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -12.3 | 176.5 | -61.2 | 174.3 | 0 | 0 | 0 | 113.6 | R183 V184 A185 | R183-L187 PolarHBondContact O-N 2.55Å; V184-L187 PolarHBondContact O-N 2.78Å; A185-L187 VanDerWaalsContact C-N 3.29Å; A185-L187 PolarHBondContact O-N 2.99Å |
| 188 | C | 88.3 | Confident | 83.2 | Confident | 40 Ų | 40 | 87 Ų | 87 | 27% | 0.27 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -96 | 120.7 | -178.1 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | V184 A185 R186 F190 | V184-C188 PolarHBondContact O-N 2.79Å; V184-C188 PolarHBondContact O-SG 3.36Å; A185-C188 PolarHBondContact O-N 3.43Å; R186-C188 VanDerWaalsContact C-N 3.3Å; C188-F190 HydrophobicContact CB-CD2 4.2Å; C188-F190 HydrophobicContact CB-CE1 4.34Å; C188-F190 HydrophobicContact CB-CE2 3.54Å; C188-F190 HydrophobicContact CB-CZ 3.62Å; C188-F190 WeakPolarHBondContact O-CD2 3.37Å; C188-F190 PolarHBondContact O-N 3.14Å; C188-F190 VanDerWaalsContact O-N 3.1Å |
| 189 | D | 86.3 | Confident | 83.5 | Confident | 96 Ų | 96 | 93.5 Ų | 93.5 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | trans | -76.1 | 102.2 | 172.3 | -173.8 | 4.1 | 0 | 0 | 0 | 111.6 | N191 S194 R205 | D189-N191 WeakPolarHBondContact OD1-CB 3.28Å; D189-N191 PolarHBondContact OD1-N 3.1Å; D189-S194 PolarHBondContact OD1-OG 3.32Å; D189-S194 WeakPolarHBondContact OD2-CB 3.1Å; D189-S194 PolarHBondContact OD2-OG 2.91Å; D189-R205 PolarHBondContact O-NH2 3.27Å | ||
| 190 | F | 85.9 | Confident | 83.5 | Confident | 59 Ų | 59 | 97.9 Ų | 97.9 | 26% | 0.259 | 50% | 0.497 | S | S | . | . | trans | -86 | 0.7 | 175.6 | -66.1 | -71.9 | 0 | 0 | 0 | 114.1 | A185 C188 P192 R205 L208 I209 | A185-F190 HydrophobicContact CB-CE2 3.94Å; A185-F190 HydrophobicContact CB-CZ 4.37Å; A185-F190 WeakPolarHBondContact O-CE2 3.19Å; C188-F190 HydrophobicContact CB-CD2 4.2Å; C188-F190 HydrophobicContact CB-CE1 4.34Å; C188-F190 HydrophobicContact CB-CE2 3.54Å; C188-F190 HydrophobicContact CB-CZ 3.62Å; C188-F190 WeakPolarHBondContact O-CD2 3.37Å; C188-F190 PolarHBondContact O-N 3.14Å; C188-F190 VanDerWaalsContact O-N 3.1Å; F190-P192 WeakPolarHBondContact O-CD 3.43Å; F190-R205 HydrophobicContact CD1-CB 4.19Å; F190-R205 HydrophobicContact CD1-CG 4.16Å; F190-R205 HydrophobicContact CE1-CB 4.24Å; F190-R205 HydrophobicContact CE1-CG 4.34Å; F190-L208 HydrophobicContact CE1-CB 4.06Å; F190-L208 HydrophobicContact CZ-CB 3.84Å; F190-I209 HydrophobicContact CD1-CD1 3.74Å; F190-I209 HydrophobicContact CD1-CG1 3.78Å; F190-I209 HydrophobicContact CE1-CD1 4Å; F190-I209 HydrophobicContact CE1-CG1 3.57Å; F190-I209 HydrophobicContact CG-CD1 4.4Å; F190-I209 HydrophobicContact CG-CG1 4.4Å; F190-I209 HydrophobicContact CZ-CG1 4.01Å | ||
| 191 | N | 85.4 | Confident | 83.5 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 41% | 0.412 | 49% | 0.491 | S | S | . | . | trans | -60.9 | 121.2 | 177 | -175.1 | -10.3 | 0 | 0 | 0 | 109.7 | D189 K193 S194 R205 | D189-N191 WeakPolarHBondContact OD1-CB 3.28Å; D189-N191 PolarHBondContact OD1-N 3.1Å; N191-K193 PolarHBondContact O-N 2.86Å; N191-K193 WeakPolarHBondContact OD1-CB 3.06Å; N191-K193 PolarHBondContact OD1-N 3Å; N191-S194 PolarHBondContact O-N 3.2Å; N191-S194 PolarHBondContact O-OG 3.17Å; N191-R205 PolarHBondContact O-NH2 3.41Å | ||
| 192 | P | 77.9 | Confident | 83.4 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 69% | 0.688 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -24.4 | 179 | 24.6 | -32.9 | 0 | 0 | 0 | 112 | F190 | F190-P192 WeakPolarHBondContact O-CD 3.43Š|
| 193 | K | 79.3 | Confident | 83.6 | Confident | 192 Ų | 192 | 102.1 Ų | 102.1 | 84% | 0.835 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -14.6 | -178.1 | -59.6 | -178 | 179.5 | 179.2 | 0 | 114.5 | N191 | N191-K193 PolarHBondContact O-N 2.86Å; N191-K193 WeakPolarHBondContact OD1-CB 3.06Å; N191-K193 PolarHBondContact OD1-N 3Å |
| 194 | S | 78.3 | Confident | 83.7 | Confident | 37 Ų | 37 | 104 Ų | 104 | 26% | 0.259 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -12.2 | -179.6 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | D189 N191 K196 | D189-S194 PolarHBondContact OD1-OG 3.32Å; D189-S194 WeakPolarHBondContact OD2-CB 3.1Å; D189-S194 PolarHBondContact OD2-OG 2.91Å; N191-S194 PolarHBondContact O-N 3.2Å; N191-S194 PolarHBondContact O-OG 3.17Å; S194-K196 VanDerWaalsContact C-N 3.34Å; S194-K196 PolarHBondContact O-N 3.07Å |
| 195 | S | 72.1 | Confident | 83.7 | Confident | 50 Ų | 50 | 103.3 Ų | 103.3 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | trans | -71.6 | 83.2 | -177.2 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | Q197 | S195-Q197 PolarHBondContact O-N 3.39Š| ||
| 196 | K | 74.7 | Confident | 83.7 | Confident | 205 Ų | 205 | 106.8 Ų | 106.8 | 89% | 0.891 | 55% | 0.549 | S | S | * | . | trans | -77.9 | 5.2 | 171.9 | -61.7 | -180 | -176.7 | 177.4 | 0 | 113.7 | S194 | S194-K196 VanDerWaalsContact C-N 3.34Å; S194-K196 PolarHBondContact O-N 3.07Å | ||
| 197 | Q | 74.9 | Confident | 84 | Confident | 137 Ų | 137 | 104.2 Ų | 104.2 | 64% | 0.64 | 55% | 0.547 | S | S | * | . | trans | -91.5 | 137.3 | -173.9 | -58.1 | -163.2 | 6 | 0 | 0 | 111.9 | S195 K199 | S195-Q197 PolarHBondContact O-N 3.39Å; Q197-K199 PolarHBondContact O-N 3.2Å | ||
| 198 | A | 79.6 | Confident | 84.2 | Confident | 116 Ų | 116 | 98.5 Ų | 98.5 | 96% | 0.959 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -75.2 | -3.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 199 | K | 84.8 | Confident | 84.3 | Confident | 168 Ų | 168 | 99.7 Ų | 99.7 | 73% | 0.73 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -97.1 | 132.5 | 177.7 | -66.6 | 178.1 | -179.1 | 177.6 | 0 | 109.4 | Q197 V201 | Q197-K199 PolarHBondContact O-N 3.2Å; K199-V201 PolarHBondContact O-N 3.02Å |
| 200 | D | 85.3 | Confident | 84.5 | Confident | 134 Ų | 134 | 98.2 Ų | 98.2 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | trans | -69.6 | 113.3 | 172.5 | -177.9 | 17.9 | 0 | 0 | 0 | 110.7 | S202 | D200-S202 WeakPolarHBondContact OD1-CB 3.47Å; D200-S202 PolarHBondContact OD1-N 3.3Å; D200-S202 PolarHBondContact OD1-OG 2.59Å | ||
| 201 | V | 86.9 | Confident | 84.7 | Confident | 30 Ų | 30 | 96.5 Ų | 96.5 | 18% | 0.182 | 51% | 0.511 | C | S | . | . | trans | -103.9 | 8.5 | 176.5 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | K199 R203 M204 R205 | K199-V201 PolarHBondContact O-N 3.02Å; V201-R203 VanDerWaalsContact C-N 3.33Å; V201-R203 PolarHBondContact O-N 2.91Å; V201-M204 HydrophobicContact CB-CE 4.12Å; V201-M204 HydrophobicContact CG1-CE 4.17Å; V201-M204 WeakPolarHBondContact O-CB 3.34Å; V201-M204 PolarHBondContact O-N 2.89Å; V201-M204 VanDerWaalsContact O-N 3.1Å; V201-R205 HydrophobicContact CG2-CG 4.44Å; V201-R205 PolarHBondContact O-N 2.85Å | ||
| 202 | S | 87.2 | Confident | 84.9 | Confident | 70 Ų | 70 | 97.6 Ų | 97.6 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | -174.4 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | D200 R205 S206 | D200-S202 WeakPolarHBondContact OD1-CB 3.47Å; D200-S202 PolarHBondContact OD1-N 3.3Å; D200-S202 PolarHBondContact OD1-OG 2.59Å; S202-R205 PolarHBondContact O-N 3.1Å; S202-S206 WeakPolarHBondContact O-CB 3.39Å; S202-S206 PolarHBondContact O-N 3.31Å |
| 203 | R | 89.6 | Confident | 85.3 | Confident | 216 Ų | 216 | 100 Ų | 100 | 82% | 0.815 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 175 | -175.6 | 173.5 | 179.7 | 149.5 | 1.1 | 112.2 | V201 S206 V207 | V201-R203 VanDerWaalsContact C-N 3.33Å; V201-R203 PolarHBondContact O-N 2.91Å; R203-S206 PolarHBondContact O-N 3.43Å; R203-V207 WeakPolarHBondContact O-CG2 3.29Å; R203-V207 PolarHBondContact O-N 2.98Å |
| 204 | M | 89.7 | Confident | 85.8 | Confident | 111 Ų | 111 | 93.9 Ų | 93.9 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 177.4 | -175.8 | -177.7 | 80 | 0 | 0 | 110.9 | V201 S206 V207 L208 | V201-M204 HydrophobicContact CB-CE 4.12Å; V201-M204 HydrophobicContact CG1-CE 4.17Å; V201-M204 WeakPolarHBondContact O-CB 3.34Å; V201-M204 PolarHBondContact O-N 2.89Å; V201-M204 VanDerWaalsContact O-N 3.1Å; M204-S206 VanDerWaalsContact C-N 3.35Å; M204-S206 PolarHBondContact O-N 3.44Å; M204-V207 PolarHBondContact O-N 3.38Å; M204-L208 HydrophobicContact CG-CD1 4.13Å; M204-L208 WeakPolarHBondContact O-CG 3.5Å; M204-L208 PolarHBondContact O-N 3.23Å |
| 205 | R | 88.1 | Confident | 85.8 | Confident | 45 Ų | 45 | 95 Ų | 95 | 17% | 0.17 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.7 | -75.5 | 175 | 158.5 | -175.1 | -16.2 | 111.8 | D189 F190 N191 V201 S202 L208 I209 | D189-R205 PolarHBondContact O-NH2 3.27Å; F190-R205 HydrophobicContact CD1-CB 4.19Å; F190-R205 HydrophobicContact CD1-CG 4.16Å; F190-R205 HydrophobicContact CE1-CB 4.24Å; F190-R205 HydrophobicContact CE1-CG 4.34Å; N191-R205 PolarHBondContact O-NH2 3.41Å; V201-R205 HydrophobicContact CG2-CG 4.44Å; V201-R205 PolarHBondContact O-N 2.85Å; S202-R205 PolarHBondContact O-N 3.1Å; R205-L208 PolarHBondContact O-N 2.95Å; R205-I209 VanDerWaalsContact O-CG1 3.29Å; R205-I209 WeakPolarHBondContact O-CG1 3.42Å; R205-I209 PolarHBondContact O-N 3.05Å |
| 206 | S | 89.9 | Confident | 86.2 | Confident | 78 Ų | 78 | 98.8 Ų | 98.8 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | S202 R203 M204 I209 S210 | S202-S206 WeakPolarHBondContact O-CB 3.39Å; S202-S206 PolarHBondContact O-N 3.31Å; R203-S206 PolarHBondContact O-N 3.43Å; M204-S206 VanDerWaalsContact C-N 3.35Å; M204-S206 PolarHBondContact O-N 3.44Å; S206-I209 PolarHBondContact O-N 3.41Å; S206-S210 WeakPolarHBondContact O-CB 3.5Å; S206-S210 PolarHBondContact O-N 3.04Å |
| 207 | V | 92.4 | Very high | 85.8 | Confident | 74 Ų | 74 | 95.7 Ų | 95.7 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | R203 M204 I209 S210 L211 | R203-V207 WeakPolarHBondContact O-CG2 3.29Å; R203-V207 PolarHBondContact O-N 2.98Å; M204-V207 PolarHBondContact O-N 3.38Å; V207-I209 PolarHBondContact O-N 3Å; V207-S210 WeakPolarHBondContact O-CB 3.38Å; V207-S210 PolarHBondContact O-N 2.97Å; V207-L211 HydrophobicContact CG1-CD1 3.64Å; V207-L211 HydrophobicContact CG1-CG 4.44Å; V207-L211 WeakPolarHBondContact O-CD1 3.48Å; V207-L211 VanDerWaalsContact O-CG 3.3Å; V207-L211 WeakPolarHBondContact O-CG 3.34Å; V207-L211 PolarHBondContact O-N 3.24Å |
| 208 | L | 91.4 | Very high | 84.8 | Confident | 27 Ų | 27 | 98.4 Ų | 98.4 | 14% | 0.141 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 179.1 | -67.5 | 169.2 | 0 | 0 | 0 | 112.7 | W181 V184 F190 M204 R205 L211 K212 | W181-L208 HydrophobicContact CE3-CD2 4.38Å; W181-L208 HydrophobicContact CZ3-CD2 3.96Å; V184-L208 HydrophobicContact CG1-CD2 3.96Å; F190-L208 HydrophobicContact CE1-CB 4.06Å; F190-L208 HydrophobicContact CZ-CB 3.84Å; M204-L208 HydrophobicContact CG-CD1 4.13Å; M204-L208 WeakPolarHBondContact O-CG 3.5Å; M204-L208 PolarHBondContact O-N 3.23Å; R205-L208 PolarHBondContact O-N 2.95Å; L208-L211 PolarHBondContact O-N 3.24Å; L208-K212 PolarHBondContact O-N 3.45Å; L208-K212 VanDerWaalsContact O-N 3.09Å |
| 209 | I | 89.8 | Confident | 85 | Confident | 65 Ų | 65 | 97.6 Ų | 97.6 | 33% | 0.333 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 173.9 | -69.1 | 165.3 | 0 | 0 | 0 | 110.8 | F190 R205 S206 V207 L211 K212 Q213 | F190-I209 HydrophobicContact CD1-CD1 3.74Å; F190-I209 HydrophobicContact CD1-CG1 3.78Å; F190-I209 HydrophobicContact CE1-CD1 4Å; F190-I209 HydrophobicContact CE1-CG1 3.57Å; F190-I209 HydrophobicContact CG-CD1 4.4Å; F190-I209 HydrophobicContact CG-CG1 4.4Å; F190-I209 HydrophobicContact CZ-CG1 4.01Å; R205-I209 VanDerWaalsContact O-CG1 3.29Å; R205-I209 WeakPolarHBondContact O-CG1 3.42Å; R205-I209 PolarHBondContact O-N 3.05Å; S206-I209 PolarHBondContact O-N 3.41Å; V207-I209 PolarHBondContact O-N 3Å; I209-L211 VanDerWaalsContact C-N 3.31Å; I209-L211 PolarHBondContact O-N 3.46Å; I209-K212 WeakPolarHBondContact O-CB 3.3Å; I209-K212 PolarHBondContact O-N 3.48Å; I209-Q213 HydrophobicContact CG2-CG 4.46Å; I209-Q213 WeakPolarHBondContact O-CG 3.47Å; I209-Q213 PolarHBondContact O-N 2.98Å |
| 210 | S | 91 | Very high | 85.1 | Confident | 66 Ų | 66 | 93.8 Ų | 93.8 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | S206 V207 K212 Q213 A214 | S206-S210 WeakPolarHBondContact O-CB 3.5Å; S206-S210 PolarHBondContact O-N 3.04Å; V207-S210 WeakPolarHBondContact O-CB 3.38Å; V207-S210 PolarHBondContact O-N 2.97Å; S210-K212 VanDerWaalsContact C-N 3.34Å; S210-Q213 PolarHBondContact O-N 3.09Å; S210-A214 PolarHBondContact O-N 3.26Å |
| 211 | L | 91.1 | Very high | 85 | Confident | 22 Ų | 22 | 91.6 Ų | 91.6 | 12% | 0.115 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -71.3 | -27.7 | -179.5 | -68.5 | 163.6 | 0 | 0 | 0 | 112.8 | W181 V207 L208 I209 A214 P215 L216 | W181-L211 HydrophobicContact CB-CB 4.21Å; W181-L211 VanDerWaalsContact CB-O 3.28Å; W181-L211 WeakPolarHBondContact CB-O 3.46Å; W181-L211 HydrophobicContact CD2-CB 3.58Å; W181-L211 HydrophobicContact CD2-CD1 4.1Å; W181-L211 HydrophobicContact CD2-CG 4.27Å; W181-L211 HydrophobicContact CE3-CB 3.79Å; W181-L211 HydrophobicContact CE3-CD1 3.88Å; W181-L211 HydrophobicContact CE3-CG 4.42Å; W181-L211 HydrophobicContact CG-CB 3.75Å; W181-L211 HydrophobicContact CH2-CD1 3.66Å; W181-L211 HydrophobicContact CZ2-CD1 3.86Å; W181-L211 HydrophobicContact CZ2-CD2 4.37Å; W181-L211 HydrophobicContact CZ3-CB 4.45Å; W181-L211 HydrophobicContact CZ3-CD1 3.66Å; V207-L211 HydrophobicContact CG1-CD1 3.64Å; V207-L211 HydrophobicContact CG1-CG 4.44Å; V207-L211 WeakPolarHBondContact O-CD1 3.48Å; V207-L211 VanDerWaalsContact O-CG 3.3Å; V207-L211 WeakPolarHBondContact O-CG 3.34Å; V207-L211 PolarHBondContact O-N 3.24Å; L208-L211 PolarHBondContact O-N 3.24Å; I209-L211 VanDerWaalsContact C-N 3.31Å; I209-L211 PolarHBondContact O-N 3.46Å; L211-A214 CarbonylContact O-C 3.6Å; L211-P215 WeakPolarHBondContact O-CA 3.41Å; L211-L216 HydrophobicContact CD2-CD1 3.95Å; L211-L216 HydrophobicContact CD2-CD2 4.32Å; L211-L216 HydrophobicContact CD2-CG 3.74Å |
| 212 | K | 88.2 | Confident | 84.9 | Confident | 101 Ų | 101 | 95.2 Ų | 95.2 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 168.7 | -173.4 | -170.7 | -172.6 | 176.5 | 0 | 112.1 | E182 A185 L208 I209 S210 | E182-K212 HydrophobicContact CG-CG 4.42Å; A185-K212 HydrophobicContact CB-CB 4.09Å; A185-K212 HydrophobicContact CB-CD 3.69Å; A185-K212 HydrophobicContact CB-CG 4.05Å; L208-K212 PolarHBondContact O-N 3.45Å; L208-K212 VanDerWaalsContact O-N 3.09Å; I209-K212 WeakPolarHBondContact O-CB 3.3Å; I209-K212 PolarHBondContact O-N 3.48Å; S210-K212 VanDerWaalsContact C-N 3.34Å |
| 213 | Q | 88 | Confident | 84.8 | Confident | 156 Ų | 156 | 96.8 Ų | 96.8 | 73% | 0.729 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -80.5 | -36 | -174.3 | -71.6 | 176.5 | -16.7 | 0 | 0 | 113.2 | I209 S210 | I209-Q213 HydrophobicContact CG2-CG 4.46Å; I209-Q213 WeakPolarHBondContact O-CG 3.47Å; I209-Q213 PolarHBondContact O-N 2.98Å; S210-Q213 PolarHBondContact O-N 3.09Å |
| 214 | A | 88.1 | Confident | 84.5 | Confident | 63 Ų | 63 | 88.9 Ų | 88.9 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -133.2 | 85.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | S210 L211 | S210-A214 PolarHBondContact O-N 3.26Å; L211-A214 CarbonylContact O-C 3.6Å |
| 215 | P | 79.4 | Confident | 84.1 | Confident | 61 Ų | 61 | 87.3 Ų | 87.3 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 141.8 | 171.6 | -24.9 | 34.8 | 0 | 0 | 0 | 110.2 | L211 V217 | L211-P215 WeakPolarHBondContact O-CA 3.41Å; P215-V217 PolarHBondContact O-N 3.43Å; P215-V217 VanDerWaalsContact O-N 3.11Å |
| 216 | L | 80.2 | Confident | 83.8 | Confident | 129 Ų | 129 | 90.5 Ų | 90.5 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 117.4 | 167 | -61.6 | 173.6 | 0 | 0 | 0 | 106.8 | L211 H218 | L211-L216 HydrophobicContact CD2-CD1 3.95Å; L211-L216 HydrophobicContact CD2-CD2 4.32Å; L211-L216 HydrophobicContact CD2-CG 3.74Å; L216-H218 PolarHBondContact O-N 3.11Å |
| 217 | V | 65.4 | Low | 83.3 | Confident | 141 Ų | 141 | 91.6 Ų | 91.6 | 86% | 0.855 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 133.5 | -177.5 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | P215 | P215-V217 PolarHBondContact O-N 3.43Å; P215-V217 VanDerWaalsContact O-N 3.11Å |
| 218 | H | 54.2 | Low | 82.5 | Confident | 194 Ų | 194 | 93.2 Ų | 93.2 | 90% | 0.898 | 51% | 0.506 | S | S | * | . | trans | -61 | 0 | 170.5 | -81.6 | -84.6 | 0 | 0 | 0 | 111 | G178 E180 L216 | G178-H218 PolarHBondContact N-NE2 2.84Å; E180-H218 IonicContact OE1-CE1 3.89Å; E180-H218 IonicContact OE1-NE2 2.67Å; E180-H218 IonicContact OE2-NE2 3.42Å; L216-H218 PolarHBondContact O-N 3.11Å |
Retrieved 218 of 218 residues in 98.7 ms
(Link to these results)