| 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 | 30.1 | Very low | 32.1 | Very low | 237 Ų | 237 | 156.9 Ų | 156.9 | 100% | 1.167 | 80% | 0.802 | S | S | * | * | 0 | 141.9 | 0 | -78.4 | 162.6 | 123.3 | 0 | 0 | 107.6 | |||||
| 2 | N | 34.6 | Very low | 32.1 | Very low | 158 Ų | 158 | 158.1 Ų | 158.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 92.7 | 90.9 | -175 | -53.2 | -5.7 | 0 | 0 | 0 | 112.5 | ||||
| 3 | T | 31.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 155.7 Ų | 155.7 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | cis | 94.8 | 92.5 | 44.8 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | F | 31.4 | Very low | 32.7 | Very low | 189 Ų | 189 | 158.6 Ų | 158.6 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | 62.1 | 176.3 | 144.2 | -67.8 | -92.2 | 0 | 0 | 0 | 120.3 | ||||
| 5 | P | 40.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 153.5 Ų | 153.5 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | -131.8 | 163.5 | -74.3 | 38 | -21.1 | 0 | 0 | 0 | 111 | |||||
| 6 | N | 33.4 | Very low | 33.2 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -145.6 | 88.2 | 161 | -87.7 | -35.6 | 0 | 0 | 0 | 109.9 | ||||
| 7 | S | 28 | Very low | 33.4 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124.1 | 166.7 | -66.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 8 | F | 32.3 | Very low | 33.8 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 117.3 | 162.6 | -102.2 | -94 | 0 | 0 | 0 | 108.9 | I10 | F8-I10 PolarHBondContact O-N 3.44Š|
| 9 | M | 28.8 | Very low | 34 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 118.7 | 164.4 | -99.2 | -170.7 | 71.4 | 0 | 0 | 108.7 | Y11 | M9-Y11 HydrophobicContact CB-CD2 4.44Å; M9-Y11 HydrophobicContact CB-CE2 4.32Å; M9-Y11 HydrophobicContact CE-CD1 4.33Å; M9-Y11 HydrophobicContact CE-CD2 4.26Å; M9-Y11 HydrophobicContact CE-CE1 3.95Å; M9-Y11 HydrophobicContact CE-CE2 3.88Å; M9-Y11 HydrophobicContact CE-CG 4.48Å; M9-Y11 PolarHBondContact O-N 2.85Å; M9-Y11 HydrophobicContact SD-CE2 4.41Å |
| 10 | I | 32 | Very low | 34.4 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | trans | -83.7 | 104.7 | 163 | -58.9 | 178.7 | 0 | 0 | 0 | 106.2 | F8 Q12 | F8-I10 PolarHBondContact O-N 3.44Å; I10-Q12 PolarHBondContact O-N 3.43Å | ||
| 11 | Y | 30.1 | Very low | 34.6 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 66% | 0.659 | 74% | 0.74 | S | S | * | * | trans | -64.3 | 130.6 | 168.8 | -84 | -92.1 | 0 | 0 | 0 | 109 | M9 | M9-Y11 HydrophobicContact CB-CD2 4.44Å; M9-Y11 HydrophobicContact CB-CE2 4.32Å; M9-Y11 HydrophobicContact CE-CD1 4.33Å; M9-Y11 HydrophobicContact CE-CD2 4.26Å; M9-Y11 HydrophobicContact CE-CE1 3.95Å; M9-Y11 HydrophobicContact CE-CE2 3.88Å; M9-Y11 HydrophobicContact CE-CG 4.48Å; M9-Y11 PolarHBondContact O-N 2.85Å; M9-Y11 HydrophobicContact SD-CE2 4.41Å | ||
| 12 | Q | 32.6 | Very low | 35.2 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | -55 | 139.4 | 170 | -73.1 | -161.6 | -14 | 0 | 0 | 109.9 | I10 Y14 | I10-Q12 PolarHBondContact O-N 3.43Å; Q12-Y14 PolarHBondContact O-N 2.99Å; Q12-Y14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | P | 40.1 | Very low | 35.5 | Very low | 127 Ų | 127 | 142 Ų | 142 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -66.3 | 115.8 | -179.6 | 26.2 | -31.6 | 0 | 0 | 0 | 109.5 | S15 | P13-S15 PolarHBondContact O-N 3.35Š| ||
| 14 | Y | 32.2 | Very low | 36 | Very low | 196 Ų | 196 | 142 Ų | 142 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | -54.4 | 130.1 | 164.5 | -83.3 | -95.2 | 0 | 0 | 0 | 109.1 | Q12 I16 | Q12-Y14 PolarHBondContact O-N 2.99Å; Q12-Y14 VanDerWaalsContact O-N 3.12Å; Y14-I16 PolarHBondContact O-N 3.36Å | ||
| 15 | S | 31.2 | Very low | 36.3 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 58% | 0.58 | 71% | 0.712 | S | S | * | * | trans | -43.2 | 121.9 | 174.7 | -93 | 0 | 0 | 0 | 0 | 111.5 | P13 E17 N18 | P13-S15 PolarHBondContact O-N 3.35Å; S15-E17 PolarHBondContact O-N 2.87Å; S15-N18 PolarHBondContact O-N 3.3Å | ||
| 16 | I | 42.7 | Very low | 35.9 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -9 | 178 | -64.8 | 169.4 | 0 | 0 | 0 | 112.1 | Y14 N18 F19 | Y14-I16 PolarHBondContact O-N 3.36Å; I16-N18 VanDerWaalsContact C-N 3.26Å; I16-N18 PolarHBondContact O-N 3.35Å; I16-F19 PolarHBondContact O-N 2.96Å |
| 17 | E | 36.6 | Very low | 35.9 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -29.8 | 175.2 | -66.7 | -168.9 | 144.3 | 0 | 0 | 113.2 | S15 F19 | S15-E17 PolarHBondContact O-N 2.87Å; E17-F19 PolarHBondContact O-N 2.63Å |
| 18 | N | 40.2 | Very low | 36.3 | Very low | 112 Ų | 112 | 140 Ų | 140 | 60% | 0.599 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -79.9 | -12.9 | -179.4 | -69.3 | -13.9 | 0 | 0 | 0 | 114.5 | S15 I16 | S15-N18 PolarHBondContact O-N 3.3Å; I16-N18 VanDerWaalsContact C-N 3.26Å; I16-N18 PolarHBondContact O-N 3.35Å |
| 19 | F | 37.7 | Very low | 36.7 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 42% | 0.417 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -86.2 | -13.2 | -176.4 | -156.6 | -102 | 0 | 0 | 0 | 113.3 | I16 E17 V196 | I16-F19 PolarHBondContact O-N 2.96Å; E17-F19 PolarHBondContact O-N 2.63Å; F19-V196 HydrophobicContact CE1-CG1 3.71Å; F19-V196 HydrophobicContact CZ-CG1 3.64Å |
| 20 | I | 42.6 | Very low | 36.9 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 62% | 0.621 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -88.5 | -29.4 | 179 | -60.1 | -177.1 | 0 | 0 | 0 | 111.1 | ||
| 21 | D | 38.1 | Very low | 37 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -78.8 | -28.9 | 177.2 | -78.7 | -26.8 | 0 | 0 | 0 | 113.4 | K23 | D21-K23 VanDerWaalsContact C-N 3.34Å; D21-K23 PolarHBondContact O-N 3.02Å |
| 22 | E | 42.1 | Very low | 37.3 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -19.9 | -176.9 | -157.2 | 178.2 | 144.3 | 0 | 0 | 113.5 | ||
| 23 | K | 41.3 | Very low | 37.5 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -0.1 | -179.3 | -100.4 | -167.8 | 177 | -174.6 | 0 | 115.5 | D21 | D21-K23 VanDerWaalsContact C-N 3.34Å; D21-K23 PolarHBondContact O-N 3.02Å |
| 24 | V | 42.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -94.5 | -9.2 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 25 | N | 37.2 | Very low | 37.4 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -105.9 | 20.5 | -179.1 | -82.9 | -11.3 | 0 | 0 | 0 | 115.4 | Q27 | N25-Q27 PolarHBondContact O-N 3.39Š| ||
| 26 | G | 33.4 | Very low | 37.8 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | -83.3 | 112.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 27 | Q | 32.5 | Very low | 37.5 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | -38.5 | 136.9 | 175.7 | -72.6 | -178.9 | -98.5 | 0 | 0 | 114.3 | N25 | N25-Q27 PolarHBondContact O-N 3.39Š| ||
| 28 | P | 37.1 | Very low | 37.3 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 127.4 | 158.8 | 30.6 | -24.8 | 0 | 0 | 0 | 109 | ||
| 29 | E | 40.2 | Very low | 37.4 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145.7 | 174.2 | -68.5 | -151.1 | 137.1 | 0 | 0 | 112.2 | G31 | E29-G31 PolarHBondContact O-N 3.08Š|
| 30 | E | 33.4 | Very low | 37.3 | Very low | 197 Ų | 197 | 140 Ų | 140 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 121.7 | 178.5 | -147.4 | 166.4 | -176.3 | 0 | 0 | 111 | ||
| 31 | G | 33.8 | Very low | 37 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -120.8 | 116.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E29 | E29-G31 PolarHBondContact O-N 3.08Š| ||
| 32 | D | 35.7 | Very low | 36.8 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -57.9 | 135.4 | 179 | -66.1 | -49.4 | 0 | 0 | 0 | 113.5 | ||||
| 33 | E | 37.5 | Very low | 36.6 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -69 | 149.3 | 172.8 | -80.7 | -168.8 | 127.8 | 0 | 0 | 112.8 | ||||
| 34 | P | 39 | Very low | 36.3 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -110.4 | 114.6 | 148.9 | 32.6 | -22.6 | 0 | 0 | 0 | 111.6 | V36 | P34-V36 PolarHBondContact O-N 3.09Š| ||
| 35 | T | 31 | Very low | 36 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -32.3 | 122.9 | 156 | -52.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 36 | V | 39.8 | Very low | 35.8 | Very low | 145 Ų | 145 | 136 Ų | 136 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -134.9 | 103.9 | 153.4 | -95.5 | 0 | 0 | 0 | 0 | 109.7 | P34 | P34-V36 PolarHBondContact O-N 3.09Š| ||
| 37 | S | 36.2 | Very low | 36 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | trans | -64.1 | 135.4 | -179.4 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 38 | S | 32.9 | Very low | 36 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | trans | -23.5 | 125.8 | 152.6 | 53 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 39 | L | 40.9 | Very low | 35.9 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -152.9 | 98.3 | 140.9 | -80.1 | -173.8 | 0 | 0 | 0 | 109.7 | ||||
| 40 | L | 36.1 | Very low | 35.6 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -74.7 | 130.3 | 154.3 | -88.9 | 99.5 | 0 | 0 | 0 | 108.3 | ||||
| 41 | S | 37.3 | Very low | 35.9 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -147.6 | 101.2 | 153.8 | -6.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 42 | S | 33.2 | Very low | 35.8 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | 12.1 | 132.6 | 142.3 | -54.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 43 | S | 38.8 | Very low | 36.2 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | 175.8 | 135.9 | 101 | 35.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 44 | N | 33.6 | Very low | 36.2 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -9 | 139.8 | 160.9 | -75 | -13.2 | 0 | 0 | 0 | 120.3 | ||||
| 45 | S | 37.6 | Very low | 36.7 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | 174.6 | 147.4 | 96.1 | 46.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 46 | T | 32.6 | Very low | 37.5 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 147.3 | -173.6 | 41.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 47 | S | 36.3 | Very low | 38.5 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | -173.1 | 126.8 | 127.5 | 42.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 48 | H | 32.5 | Very low | 39.8 | Very low | 191 Ų | 191 | 143 Ų | 143 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -75.2 | 131.4 | 169.4 | -80.4 | -102 | 0 | 0 | 0 | 110 | ||||
| 49 | H | 36.5 | Very low | 41.1 | Very low | 175 Ų | 175 | 145 Ų | 145 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -141.9 | 103.8 | 154.7 | -139.5 | -44.4 | 0 | 0 | 0 | 110 | ||||
| 50 | S | 32.7 | Very low | 42.1 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -66.5 | 126.3 | 167.1 | 46 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 51 | N | 39.3 | Very low | 43.1 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -149.4 | 110.1 | 156.2 | -104.1 | -17.7 | 0 | 0 | 0 | 110.2 | T53 | N51-T53 PolarHBondContact O-N 2.94Š| ||
| 52 | S | 33 | Very low | 44.1 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -75.3 | 106.8 | 175.1 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 53 | T | 43 | Very low | 45.3 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | -154 | 129.3 | 161.4 | 39.3 | 0 | 0 | 0 | 0 | 110.2 | N51 R55 | N51-T53 PolarHBondContact O-N 2.94Å; T53-R55 PolarHBondContact O-N 2.95Å | ||
| 54 | N | 38.5 | Very low | 45.7 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 95% | 0.947 | 73% | 0.727 | S | S | * | * | trans | -6.1 | 99.5 | 165.1 | -87.5 | -47.4 | 0 | 0 | 0 | 115.8 | ||||
| 55 | R | 48.4 | Very low | 46.8 | Very low | 219 Ų | 219 | 137.3 Ų | 137.3 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | trans | -123.7 | 118.8 | 169.4 | -79.1 | -177 | -177.9 | 172.9 | 1.5 | 110.4 | T53 I57 | T53-R55 PolarHBondContact O-N 2.95Å; R55-I57 PolarHBondContact O-N 3.48Å | ||
| 56 | R | 48.6 | Very low | 47.6 | Very low | 233 Ų | 233 | 140.9 Ų | 140.9 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | trans | -41.8 | 122.9 | 166.1 | -75.6 | 176.3 | 168.7 | 161.4 | -4 | 109.1 | T58 | R56-T58 PolarHBondContact O-N 3.38Å; R56-T58 VanDerWaalsContact O-N 3.17Å | ||
| 57 | I | 59.4 | Low | 48.5 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | trans | -62.1 | 115 | 173.8 | -60.4 | 166.8 | 0 | 0 | 0 | 107 | R55 F62 | R55-I57 PolarHBondContact O-N 3.48Å; I57-F62 HydrophobicContact CG2-CE2 3.95Å; I57-F62 HydrophobicContact CG2-CZ 4.49Å | ||
| 58 | T | 63.9 | Low | 49.3 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 46% | 0.46 | 69% | 0.691 | S | S | . | * | trans | -105.5 | 155.4 | 174.4 | 60 | 0 | 0 | 0 | 0 | 109.3 | R56 M60 D61 | R56-T58 PolarHBondContact O-N 3.38Å; R56-T58 VanDerWaalsContact O-N 3.17Å; T58-M60 PolarHBondContact O-N 2.96Å; T58-D61 PolarHBondContact N-OD2 2.7Å; T58-D61 WeakPolarHBondContact O-CB 3.44Å; T58-D61 PolarHBondContact O-N 3.05Å | ||
| 59 | L | 61 | Low | 50.1 | Low | 144 Ų | 144 | 140.2 Ų | 140.2 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -54.8 | -23.7 | 177.5 | -78.2 | 169.9 | 0 | 0 | 0 | 113 | D61 F62 | L59-D61 VanDerWaalsContact C-N 3.26Å; L59-D61 PolarHBondContact O-N 3.11Å; L59-F62 HydrophobicContact CD2-CD2 4.43Å; L59-F62 PolarHBondContact O-N 2.86Å |
| 60 | M | 61.7 | Low | 50.7 | Low | 152 Ų | 152 | 136.9 Ų | 136.9 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -64.2 | -28.5 | 175.2 | -153.9 | 81.4 | 102.8 | 0 | 0 | 113.1 | T58 F62 F63 | T58-M60 PolarHBondContact O-N 2.96Å; M60-F62 PolarHBondContact O-N 2.8Å; M60-F63 PolarHBondContact O-N 3.18Å |
| 61 | D | 57.4 | Low | 51.4 | Low | 45 Ų | 45 | 136.2 Ų | 136.2 | 24% | 0.241 | 68% | 0.678 | C | S | . | * | G | 310 helix | trans | -70.1 | -19 | 178.1 | -74.3 | -52.6 | 0 | 0 | 0 | 112.9 | T58 L59 K67 | T58-D61 PolarHBondContact N-OD2 2.7Å; T58-D61 WeakPolarHBondContact O-CB 3.44Å; T58-D61 PolarHBondContact O-N 3.05Å; L59-D61 VanDerWaalsContact C-N 3.26Å; L59-D61 PolarHBondContact O-N 3.11Å; D61-K67 VanDerWaalsContact CG-NZ 3.35Å; D61-K67 IonicContact OD1-NZ 3.93Å; D61-K67 PolarHBondContact OD1-NZ 3.25Å; D61-K67 IonicContact OD2-NZ 3.24Å |
| 62 | F | 58.5 | Low | 51.7 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -79.5 | -22.2 | 176.7 | -73.1 | -88.5 | 0 | 0 | 0 | 113 | I57 L59 M60 | I57-F62 HydrophobicContact CG2-CE2 3.95Å; I57-F62 HydrophobicContact CG2-CZ 4.49Å; L59-F62 HydrophobicContact CD2-CD2 4.43Å; L59-F62 PolarHBondContact O-N 2.86Å; M60-F62 PolarHBondContact O-N 2.8Å |
| 63 | F | 57.4 | Low | 52.2 | Low | 176 Ų | 176 | 140.5 Ų | 140.5 | 77% | 0.772 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -94.8 | -5.8 | 179.4 | -74.6 | -82 | 0 | 0 | 0 | 113.4 | M60 V65 | M60-F63 PolarHBondContact O-N 3.18Å; F63-V65 PolarHBondContact O-N 3.24Å |
| 64 | D | 47.7 | Very low | 52 | Low | 52 Ų | 52 | 143 Ų | 143 | 28% | 0.278 | 68% | 0.681 | S | S | . | * | trans | -82.6 | 86.2 | 175.5 | -163 | 11.5 | 0 | 0 | 0 | 110.3 | R66 K67 | D64-R66 PolarHBondContact O-N 2.95Å; D64-R66 WeakPolarHBondContact OD1-CB 3.48Å; D64-R66 IonicContact OD1-NE 3.91Å; D64-R66 PolarHBondContact OD1-NE 3.39Å; D64-R66 IonicContact OD1-NH2 2.67Å; D64-K67 WeakPolarHBondContact O-CB 3.18Å; D64-K67 PolarHBondContact O-N 3.41Å | ||
| 65 | V | 57.2 | Low | 52.1 | Low | 118 Ų | 118 | 142.1 Ų | 142.1 | 72% | 0.715 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -56.5 | -19.6 | 177 | -145.3 | 0 | 0 | 0 | 0 | 112.1 | F63 K67 F68 | F63-V65 PolarHBondContact O-N 3.24Å; V65-K67 VanDerWaalsContact C-N 3.35Å; V65-F68 PolarHBondContact O-N 3.17Å |
| 66 | R | 54.3 | Low | 51.8 | Low | 193 Ų | 193 | 137 Ų | 137 | 73% | 0.728 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -74.7 | -21.1 | 177.5 | -61.8 | -179.6 | -73.9 | -170 | -6.7 | 113.3 | D64 F68 Q69 | D64-R66 PolarHBondContact O-N 2.95Å; D64-R66 WeakPolarHBondContact OD1-CB 3.48Å; D64-R66 IonicContact OD1-NE 3.91Å; D64-R66 PolarHBondContact OD1-NE 3.39Å; D64-R66 IonicContact OD1-NH2 2.67Å; R66-F68 VanDerWaalsContact C-N 3.27Å; R66-F68 PolarHBondContact O-N 3.12Å; R66-Q69 PolarHBondContact O-N 3.49Å |
| 67 | K | 52 | Low | 51.5 | Low | 113 Ų | 113 | 132.7 Ų | 132.7 | 49% | 0.491 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -73.8 | -18.4 | 174.8 | -110.8 | 178.7 | 176 | -179.8 | 0 | 113.3 | D61 D64 V65 | D61-K67 VanDerWaalsContact CG-NZ 3.35Å; D61-K67 IonicContact OD1-NZ 3.93Å; D61-K67 PolarHBondContact OD1-NZ 3.25Å; D61-K67 IonicContact OD2-NZ 3.24Å; D64-K67 WeakPolarHBondContact O-CB 3.18Å; D64-K67 PolarHBondContact O-N 3.41Å; V65-K67 VanDerWaalsContact C-N 3.35Å |
| 68 | F | 51.4 | Low | 50.6 | Low | 150 Ų | 150 | 132 Ų | 132 | 66% | 0.658 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -89.8 | -9.6 | 176.5 | -75.3 | -81.4 | 0 | 0 | 0 | 113.9 | V65 R66 | V65-F68 PolarHBondContact O-N 3.17Å; R66-F68 VanDerWaalsContact C-N 3.27Å; R66-F68 PolarHBondContact O-N 3.12Å |
| 69 | Q | 50.9 | Low | 49.6 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -88.4 | -13.7 | 179.6 | -86.4 | -171.9 | -40.6 | 0 | 0 | 114.6 | R66 | R66-Q69 PolarHBondContact O-N 3.49Š|
| 70 | S | 49.4 | Very low | 48.8 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -93.9 | 4.7 | -169.1 | 56 | 0 | 0 | 0 | 0 | 115.8 | ||
| 71 | S | 46.5 | Very low | 47.9 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -133.2 | 11.5 | -172.6 | 58.4 | 0 | 0 | 0 | 0 | 116.6 | ||
| 72 | H | 45.5 | Very low | 46.8 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -107.6 | 85.1 | 175.4 | -104.3 | -90.7 | 0 | 0 | 0 | 112.6 | ||
| 73 | R | 44.4 | Very low | 46.1 | Very low | 213 Ų | 213 | 138.8 Ų | 138.8 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | 32.7 | 107.5 | 140 | -52.7 | -162.6 | -171 | -154.6 | 4.8 | 117.9 | F75 | R73-F75 PolarHBondContact O-N 3.45Š| ||
| 74 | D | 38.6 | Very low | 45.5 | Very low | 162 Ų | 162 | 137 Ų | 137 | 87% | 0.866 | 71% | 0.706 | S | S | * | * | 12.9 | 80.7 | 129 | -54.3 | -29.7 | 0 | 0 | 0 | 115.2 | |||||
| 75 | F | 40.4 | Very low | 45.4 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | trans | -96.3 | 94.6 | 160.9 | -140.9 | -91.7 | 0 | 0 | 0 | 107.5 | R73 V77 H83 | R73-F75 PolarHBondContact O-N 3.45Å; F75-V77 PolarHBondContact O-N 3.34Å; F75-V77 VanDerWaalsContact O-N 3.13Å; F75-H83 AromaticContact CZ-CD2 3.79Å; F75-H83 AromaticContact CZ-NE2 3.77Å | ||
| 76 | V | 42.8 | Very low | 44.9 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | trans | -54.1 | 114.3 | 169.7 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | N78 | V76-N78 VanDerWaalsContact C-N 3.29Å; V76-N78 HydrophobicContact CG1-CB 4.14Å; V76-N78 PolarHBondContact O-N 2.93Å | ||
| 77 | V | 40.5 | Very low | 44.7 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 87% | 0.873 | 70% | 0.702 | S | S | * | * | trans | -67.7 | 91.9 | 166.5 | 175.4 | 0 | 0 | 0 | 0 | 106.6 | F75 | F75-V77 PolarHBondContact O-N 3.34Å; F75-V77 VanDerWaalsContact O-N 3.13Å | ||
| 78 | N | 40.7 | Very low | 44.6 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | -121.7 | 119.5 | 168.4 | -142.9 | 11.5 | 0 | 0 | 0 | 107.8 | V76 | V76-N78 VanDerWaalsContact C-N 3.29Å; V76-N78 HydrophobicContact CG1-CB 4.14Å; V76-N78 PolarHBondContact O-N 2.93Å | ||
| 79 | D | 43.9 | Very low | 44.8 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 55.8 | 77.6 | 166.2 | -76.4 | -26.7 | 0 | 0 | 0 | 117.8 | R81 | D79-R81 PolarHBondContact O-N 3.47Š|
| 80 | G | 44.6 | Very low | 45.1 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 95% | 0.948 | 69% | 0.685 | S | S | * | * | S | Bend | 41.9 | 12.3 | 129.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||
| 81 | R | 41 | Very low | 45.7 | Very low | 234 Ų | 234 | 125 Ų | 125 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | trans | -154.2 | 15 | -164.5 | -120.1 | -177.8 | 165.6 | 160.5 | -2 | 116.7 | D79 | D79-R81 PolarHBondContact O-N 3.47Š| ||
| 82 | L | 35.5 | Very low | 46.4 | Very low | 151 Ų | 151 | 126 Ų | 126 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | -135.7 | 146.4 | -177.5 | -133.6 | 78.9 | 0 | 0 | 0 | 113 | ||||
| 83 | H | 43 | Very low | 47.5 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 36% | 0.361 | 67% | 0.668 | S | S | . | * | trans | 91.7 | 53.1 | 168.7 | -80.7 | -91.6 | 0 | 0 | 0 | 120.4 | F75 V85 S86 | F75-H83 AromaticContact CZ-CD2 3.79Å; F75-H83 AromaticContact CZ-NE2 3.77Å; H83-V85 PolarHBondContact O-N 3.4Å; H83-S86 PolarHBondContact CE1-OG 3.06Å; H83-S86 WeakPolarHBondContact ND1-CB 3.15Å; H83-S86 PolarHBondContact ND1-OG 3.3Å | ||
| 84 | V | 44.4 | Very low | 48.6 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 84% | 0.842 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -70.3 | -10.5 | 146.6 | 178 | 0 | 0 | 0 | 0 | 111.5 | ||
| 85 | V | 46 | Very low | 50.1 | Low | 119 Ų | 119 | 114.2 Ų | 114.2 | 72% | 0.721 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -96.2 | 0.7 | -170.5 | -177.6 | 0 | 0 | 0 | 0 | 114.4 | H83 | H83-V85 PolarHBondContact O-N 3.4Š|
| 86 | S | 47.1 | Very low | 51.9 | Low | 39 Ų | 39 | 112 Ų | 112 | 27% | 0.273 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -126.3 | 14.9 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 116.2 | H83 Y90 | H83-S86 PolarHBondContact CE1-OG 3.06Å; H83-S86 WeakPolarHBondContact ND1-CB 3.15Å; H83-S86 PolarHBondContact ND1-OG 3.3Å; S86-Y90 WeakPolarHBondContact O-CD2 3.45Å |
| 87 | V | 49.4 | Very low | 53.7 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.7 | -25.2 | 171.6 | -173 | 0 | 0 | 0 | 0 | 111.1 | ||
| 88 | S | 51.5 | Low | 55.9 | Low | 73 Ų | 73 | 108.1 Ų | 108.1 | 51% | 0.51 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.6 | -36 | 179.8 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | S91 L92 | S88-S91 PolarHBondContact O-N 3.28Å; S88-L92 PolarHBondContact O-N 3.06Å |
| 89 | D | 55.8 | Low | 58 | Low | 93 Ų | 93 | 106.2 Ų | 106.2 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.1 | -37.3 | -172.5 | -63.1 | -33.1 | 0 | 0 | 0 | 112.5 | I93 | D89-I93 VanDerWaalsContact O-CD1 3.25Å; D89-I93 WeakPolarHBondContact O-CD1 3.33Å; D89-I93 VanDerWaalsContact O-CG1 3.26Å; D89-I93 WeakPolarHBondContact O-CG1 3.2Å; D89-I93 PolarHBondContact O-N 3.44Å |
| 90 | Y | 56 | Low | 59.9 | Low | 145 Ų | 145 | 105.4 Ų | 105.4 | 57% | 0.569 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.3 | -30.1 | 177.1 | -69.7 | -82.7 | 0 | 0 | 0 | 112.7 | S86 A94 | S86-Y90 WeakPolarHBondContact O-CD2 3.45Å; Y90-A94 PolarHBondContact O-N 3.38Å |
| 91 | S | 61.9 | Low | 61.9 | Low | 71 Ų | 71 | 104.8 Ų | 104.8 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.1 | -40.2 | 175.3 | -175.4 | 0 | 0 | 0 | 0 | 112 | S88 I93 A94 L95 | S88-S91 PolarHBondContact O-N 3.28Å; S91-I93 VanDerWaalsContact C-N 3.34Å; S91-I93 PolarHBondContact O-N 2.84Å; S91-A94 PolarHBondContact O-N 3.12Å; S91-L95 PolarHBondContact O-N 3.29Å |
| 92 | L | 62.5 | Low | 64 | Low | 111 Ų | 111 | 95.2 Ų | 95.2 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63 | -39.9 | 175.9 | -109 | 119.7 | 0 | 0 | 0 | 112.5 | S88 A94 L95 L96 | S88-L92 PolarHBondContact O-N 3.06Å; L92-A94 VanDerWaalsContact C-N 3.28Å; L92-A94 PolarHBondContact O-N 3.09Å; L92-L95 PolarHBondContact O-N 3.47Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L92-L96 PolarHBondContact O-N 2.72Å |
| 93 | I | 67.8 | Low | 66.6 | Low | 113 Ų | 113 | 93.1 Ų | 93.1 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -35.7 | 177.2 | -70 | 160.9 | 0 | 0 | 0 | 111.1 | D89 S91 L95 L96 | D89-I93 VanDerWaalsContact O-CD1 3.25Å; D89-I93 WeakPolarHBondContact O-CD1 3.33Å; D89-I93 VanDerWaalsContact O-CG1 3.26Å; D89-I93 WeakPolarHBondContact O-CG1 3.2Å; D89-I93 PolarHBondContact O-N 3.44Å; S91-I93 VanDerWaalsContact C-N 3.34Å; S91-I93 PolarHBondContact O-N 2.84Å; I93-L95 VanDerWaalsContact C-N 3.32Å; I93-L95 PolarHBondContact O-N 2.8Å; I93-L96 VanDerWaalsContact O-CB 3.3Å; I93-L96 WeakPolarHBondContact O-CB 3.46Å; I93-L96 PolarHBondContact O-N 2.79Å |
| 94 | A | 68.2 | Low | 68.8 | Low | 68 Ų | 68 | 94.4 Ų | 94.4 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70 | -26.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y90 S91 L92 P97 | Y90-A94 PolarHBondContact O-N 3.38Å; S91-A94 PolarHBondContact O-N 3.12Å; L92-A94 VanDerWaalsContact C-N 3.28Å; L92-A94 PolarHBondContact O-N 3.09Å; A94-P97 WeakPolarHBondContact O-CD 3.15Å |
| 95 | L | 70 | Confident | 70.9 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 45% | 0.445 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -82.4 | -17 | 176.2 | -67.6 | 174.4 | 0 | 0 | 0 | 113.3 | S91 L92 I93 V98 I99 | S91-L95 PolarHBondContact O-N 3.29Å; L92-L95 PolarHBondContact O-N 3.47Å; L92-L95 VanDerWaalsContact O-N 3.16Å; I93-L95 VanDerWaalsContact C-N 3.32Å; I93-L95 PolarHBondContact O-N 2.8Å; L95-V98 WeakPolarHBondContact O-CB 3.24Å; L95-V98 PolarHBondContact O-N 2.95Å; L95-I99 HydrophobicContact CB-CD1 4.02Å; L95-I99 WeakPolarHBondContact O-CG1 3.3Å; L95-I99 PolarHBondContact O-N 3.43Å |
| 96 | L | 76.6 | Confident | 72.9 | Confident | 112 Ų | 112 | 90.4 Ų | 90.4 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -51.8 | -47.9 | -179.8 | -165.9 | 70.3 | 0 | 0 | 0 | 114 | L92 I93 V98 I99 L100 | L92-L96 PolarHBondContact O-N 2.72Å; I93-L96 VanDerWaalsContact O-CB 3.3Å; I93-L96 WeakPolarHBondContact O-CB 3.46Å; I93-L96 PolarHBondContact O-N 2.79Å; L96-V98 VanDerWaalsContact C-N 3.32Å; L96-V98 PolarHBondContact O-N 2.96Å; L96-I99 PolarHBondContact O-N 3.45Å; L96-L100 WeakPolarHBondContact O-CB 3.3Å; L96-L100 PolarHBondContact O-N 2.81Å |
| 97 | P | 81.8 | Confident | 74.7 | Confident | 77 Ų | 77 | 92.5 Ų | 92.5 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 176.2 | 24.8 | -34.7 | 0 | 0 | 0 | 112.6 | A94 L100 V101 | A94-P97 WeakPolarHBondContact O-CD 3.15Å; P97-L100 PolarHBondContact O-N 3.1Å; P97-V101 VanDerWaalsContact O-CG2 3.26Å; P97-V101 WeakPolarHBondContact O-CG2 3.28Å; P97-V101 PolarHBondContact O-N 3.42Å |
| 98 | V | 85.4 | Confident | 76.4 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -45.3 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | L95 L96 L100 V101 G102 | L95-V98 WeakPolarHBondContact O-CB 3.24Å; L95-V98 PolarHBondContact O-N 2.95Å; L96-V98 VanDerWaalsContact C-N 3.32Å; L96-V98 PolarHBondContact O-N 2.96Å; V98-L100 VanDerWaalsContact C-N 3.34Å; V98-V101 PolarHBondContact O-N 3.24Å; V98-G102 PolarHBondContact O-N 2.89Å |
| 99 | I | 84.7 | Confident | 78 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 45% | 0.451 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 176.7 | -63.6 | 163.8 | 0 | 0 | 0 | 110.2 | L95 L96 G102 L103 | L95-I99 HydrophobicContact CB-CD1 4.02Å; L95-I99 WeakPolarHBondContact O-CG1 3.3Å; L95-I99 PolarHBondContact O-N 3.43Å; L96-I99 PolarHBondContact O-N 3.45Å; I99-G102 PolarHBondContact O-N 2.94Å; I99-L103 HydrophobicContact CG2-CD1 4.02Å; I99-L103 HydrophobicContact CG2-CG 4.31Å; I99-L103 WeakPolarHBondContact O-CB 3.39Å; I99-L103 WeakPolarHBondContact O-CG 3.23Å; I99-L103 PolarHBondContact O-N 3.12Å |
| 100 | L | 84.7 | Confident | 79.3 | Confident | 121 Ų | 121 | 93.5 Ų | 93.5 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 177.7 | -167.6 | 108.6 | 0 | 0 | 0 | 111.8 | L96 P97 V98 L103 L104 | L96-L100 WeakPolarHBondContact O-CB 3.3Å; L96-L100 PolarHBondContact O-N 2.81Å; P97-L100 PolarHBondContact O-N 3.1Å; V98-L100 VanDerWaalsContact C-N 3.34Å; L100-L103 PolarHBondContact O-N 2.98Å; L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 PolarHBondContact O-N 3.26Å |
| 101 | V | 85.9 | Confident | 80.4 | Confident | 80 Ų | 80 | 90 Ų | 90 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | P97 V98 L104 I105 | P97-V101 VanDerWaalsContact O-CG2 3.26Å; P97-V101 WeakPolarHBondContact O-CG2 3.28Å; P97-V101 PolarHBondContact O-N 3.42Å; V98-V101 PolarHBondContact O-N 3.24Å; V101-L104 WeakPolarHBondContact O-CB 3.44Å; V101-L104 PolarHBondContact O-N 3Å; V101-I105 HydrophobicContact CG1-CD1 3.9Å; V101-I105 WeakPolarHBondContact O-CG1 3.28Å; V101-I105 PolarHBondContact O-N 3.46Å |
| 102 | G | 86.9 | Confident | 81.2 | Confident | 32 Ų | 32 | 94.6 Ų | 94.6 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V98 I99 L104 I105 T106 | V98-G102 PolarHBondContact O-N 2.89Å; I99-G102 PolarHBondContact O-N 2.94Å; G102-L104 VanDerWaalsContact C-N 3.32Å; G102-L104 PolarHBondContact O-N 2.91Å; G102-I105 PolarHBondContact O-N 3.32Å; G102-T106 WeakPolarHBondContact O-CB 3.45Å; G102-T106 PolarHBondContact O-N 3.32Å; G102-T106 PolarHBondContact O-OG1 3.4Å; G102-T106 VanDerWaalsContact O-OG1 3.05Å |
| 103 | L | 88.5 | Confident | 81.7 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -38 | 176.3 | -74.1 | 175.1 | 0 | 0 | 0 | 112.3 | I99 L100 T107 | I99-L103 HydrophobicContact CG2-CD1 4.02Å; I99-L103 HydrophobicContact CG2-CG 4.31Å; I99-L103 WeakPolarHBondContact O-CB 3.39Å; I99-L103 WeakPolarHBondContact O-CG 3.23Å; I99-L103 PolarHBondContact O-N 3.12Å; L100-L103 PolarHBondContact O-N 2.98Å; L103-T107 VanDerWaalsContact O-CB 3.27Å; L103-T107 WeakPolarHBondContact O-CB 3.47Å; L103-T107 PolarHBondContact O-N 3.21Å; L103-T107 PolarHBondContact O-OG1 3.42Å |
| 104 | L | 89.2 | Confident | 81.8 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 176.2 | -177.3 | 66.5 | 0 | 0 | 0 | 111.1 | L100 V101 G102 T107 I108 | L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 PolarHBondContact O-N 3.26Å; V101-L104 WeakPolarHBondContact O-CB 3.44Å; V101-L104 PolarHBondContact O-N 3Å; G102-L104 VanDerWaalsContact C-N 3.32Å; G102-L104 PolarHBondContact O-N 2.91Å; L104-T107 PolarHBondContact O-N 2.97Å; L104-I108 HydrophobicContact CD1-CD1 4.29Å; L104-I108 HydrophobicContact CG-CD1 4.05Å; L104-I108 VanDerWaalsContact O-CG1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 3.18Å |
| 105 | I | 89.5 | Confident | 81.7 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 46% | 0.462 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 178.9 | -64.1 | 165.2 | 0 | 0 | 0 | 110.3 | V101 G102 T107 I108 F109 | V101-I105 HydrophobicContact CG1-CD1 3.9Å; V101-I105 WeakPolarHBondContact O-CG1 3.28Å; V101-I105 PolarHBondContact O-N 3.46Å; G102-I105 PolarHBondContact O-N 3.32Å; I105-T107 VanDerWaalsContact C-N 3.31Å; I105-T107 PolarHBondContact O-N 2.96Å; I105-I108 PolarHBondContact O-N 3.47Å; I105-F109 HydrophobicContact CG2-CD2 4.11Å; I105-F109 PolarHBondContact O-N 2.9Å |
| 106 | T | 88.1 | Confident | 81.4 | Confident | 84 Ų | 84 | 108.9 Ų | 108.9 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 177.9 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | G102 F109 C110 | G102-T106 WeakPolarHBondContact O-CB 3.45Å; G102-T106 PolarHBondContact O-N 3.32Å; G102-T106 PolarHBondContact O-OG1 3.4Å; G102-T106 VanDerWaalsContact O-OG1 3.05Å; T106-F109 PolarHBondContact O-N 3.16Å; T106-C110 VanDerWaalsContact O-CB 3.31Å; T106-C110 WeakPolarHBondContact O-CB 3.33Å; T106-C110 PolarHBondContact O-N 3.28Å |
| 107 | T | 85 | Confident | 80.8 | Confident | 82 Ų | 82 | 109.7 Ų | 109.7 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | L103 L104 I105 F109 C110 V111 | L103-T107 VanDerWaalsContact O-CB 3.27Å; L103-T107 WeakPolarHBondContact O-CB 3.47Å; L103-T107 PolarHBondContact O-N 3.21Å; L103-T107 PolarHBondContact O-OG1 3.42Å; L104-T107 PolarHBondContact O-N 2.97Å; I105-T107 VanDerWaalsContact C-N 3.31Å; I105-T107 PolarHBondContact O-N 2.96Å; T107-F109 VanDerWaalsContact C-N 3.35Å; T107-F109 PolarHBondContact O-N 3.43Å; T107-C110 PolarHBondContact O-N 2.84Å; T107-V111 HydrophobicContact CG2-CG2 4.5Å; T107-V111 VanDerWaalsContact O-CG2 3.3Å; T107-V111 WeakPolarHBondContact O-CG2 3.27Å; T107-V111 PolarHBondContact O-N 3.24Å |
| 108 | I | 85.6 | Confident | 79.9 | Confident | 84 Ų | 84 | 112.5 Ų | 112.5 | 43% | 0.431 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.3 | -66 | 163.5 | 0 | 0 | 0 | 110.2 | L104 I105 V111 Y112 | L104-I108 HydrophobicContact CD1-CD1 4.29Å; L104-I108 HydrophobicContact CG-CD1 4.05Å; L104-I108 VanDerWaalsContact O-CG1 3.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 3.18Å; I105-I108 PolarHBondContact O-N 3.47Å; I108-V111 PolarHBondContact O-N 2.91Å; I108-Y112 HydrophobicContact CG2-CD2 3.94Å; I108-Y112 HydrophobicContact CG2-CE2 4.22Å; I108-Y112 WeakPolarHBondContact O-CB 3.38Å; I108-Y112 WeakPolarHBondContact O-CD2 3.25Å; I108-Y112 PolarHBondContact O-N 2.79Å |
| 109 | F | 84.2 | Confident | 78.6 | Confident | 132 Ų | 132 | 113.7 Ų | 113.7 | 58% | 0.579 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | 176.4 | -105.2 | -90.9 | 0 | 0 | 0 | 112.4 | I105 T106 T107 Y112 R113 | I105-F109 HydrophobicContact CG2-CD2 4.11Å; I105-F109 PolarHBondContact O-N 2.9Å; T106-F109 PolarHBondContact O-N 3.16Å; T107-F109 VanDerWaalsContact C-N 3.35Å; T107-F109 PolarHBondContact O-N 3.43Å; F109-Y112 PolarHBondContact O-N 3.43Å; F109-R113 VanDerWaalsContact O-CB 3.31Å; F109-R113 WeakPolarHBondContact O-CB 3.49Å; F109-R113 WeakPolarHBondContact O-CG 3.23Å; F109-R113 PolarHBondContact O-N 3.3Å |
| 110 | C | 82.6 | Confident | 77.3 | Confident | 79 Ų | 79 | 113.3 Ų | 113.3 | 53% | 0.534 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 174.7 | -91.6 | 0 | 0 | 0 | 0 | 111 | T106 T107 R113 F114 | T106-C110 VanDerWaalsContact O-CB 3.31Å; T106-C110 WeakPolarHBondContact O-CB 3.33Å; T106-C110 PolarHBondContact O-N 3.28Å; T107-C110 PolarHBondContact O-N 2.84Å; C110-R113 PolarHBondContact O-N 3.45Å; C110-F114 WeakPolarHBondContact O-CA 3.42Å; C110-F114 WeakPolarHBondContact O-CB 3.37Å; C110-F114 PolarHBondContact O-N 3.4Å |
| 111 | V | 80.2 | Confident | 76.1 | Confident | 70 Ų | 70 | 112.4 Ų | 112.4 | 42% | 0.424 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | T107 I108 F114 R115 | T107-V111 HydrophobicContact CG2-CG2 4.5Å; T107-V111 VanDerWaalsContact O-CG2 3.3Å; T107-V111 WeakPolarHBondContact O-CG2 3.27Å; T107-V111 PolarHBondContact O-N 3.24Å; I108-V111 PolarHBondContact O-N 2.91Å; V111-F114 PolarHBondContact O-N 2.75Å; V111-R115 HydrophobicContact CG1-CG 4.48Å; V111-R115 WeakPolarHBondContact O-CB 3.3Å; V111-R115 WeakPolarHBondContact O-CG 3.42Å; V111-R115 PolarHBondContact O-N 3.4Å |
| 112 | Y | 77.2 | Confident | 74.7 | Confident | 168 Ų | 168 | 115.6 Ų | 115.6 | 66% | 0.659 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -47.6 | 175.9 | -102.1 | -89.2 | 0 | 0 | 0 | 112.2 | I108 F109 F114 R115 R116 | I108-Y112 HydrophobicContact CG2-CD2 3.94Å; I108-Y112 HydrophobicContact CG2-CE2 4.22Å; I108-Y112 WeakPolarHBondContact O-CB 3.38Å; I108-Y112 WeakPolarHBondContact O-CD2 3.25Å; I108-Y112 PolarHBondContact O-N 2.79Å; F109-Y112 PolarHBondContact O-N 3.43Å; Y112-F114 VanDerWaalsContact C-N 3.32Å; Y112-F114 PolarHBondContact O-N 2.94Å; Y112-R115 PolarHBondContact O-N 3.23Å; Y112-R116 WeakPolarHBondContact O-CB 3.03Å; Y112-R116 PolarHBondContact O-N 3.36Å |
| 113 | R | 73.4 | Confident | 73.1 | Confident | 181 Ų | 181 | 117.1 Ų | 117.1 | 68% | 0.683 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 174.4 | -77.2 | -91.4 | 171.1 | 110.8 | -4.9 | 110.6 | F109 C110 R116 W117 | F109-R113 VanDerWaalsContact O-CB 3.31Å; F109-R113 WeakPolarHBondContact O-CB 3.49Å; F109-R113 WeakPolarHBondContact O-CG 3.23Å; F109-R113 PolarHBondContact O-N 3.3Å; C110-R113 PolarHBondContact O-N 3.45Å; R113-R116 PolarHBondContact O-N 3.19Å; R113-W117 WeakPolarHBondContact O-CB 3.49Å; R113-W117 PolarHBondContact O-N 2.84Å |
| 114 | F | 69.6 | Low | 71.6 | Confident | 120 Ų | 120 | 117.2 Ų | 117.2 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.1 | -39.2 | 179.3 | -166.1 | -94 | 0 | 0 | 0 | 112.3 | C110 V111 Y112 W117 K118 | C110-F114 WeakPolarHBondContact O-CA 3.42Å; C110-F114 WeakPolarHBondContact O-CB 3.37Å; C110-F114 PolarHBondContact O-N 3.4Å; V111-F114 PolarHBondContact O-N 2.75Å; Y112-F114 VanDerWaalsContact C-N 3.32Å; Y112-F114 PolarHBondContact O-N 2.94Å; F114-W117 AromaticContact CD2-CE3 3.98Å; F114-W117 HydrophobicContact CD2-CE3 3.98Å; F114-W117 HydrophobicContact CD2-CZ3 4.24Å; F114-W117 AromaticContact CE2-CE3 3.89Å; F114-W117 HydrophobicContact CE2-CE3 3.89Å; F114-W117 AromaticContact CE2-CZ3 3.75Å; F114-W117 HydrophobicContact CE2-CZ3 3.75Å; F114-W117 HydrophobicContact CZ-CZ3 4.48Å; F114-W117 PolarHBondContact O-N 3.29Å; F114-K118 WeakPolarHBondContact O-CB 3.43Å; F114-K118 PolarHBondContact O-N 3.17Å |
| 115 | R | 66.9 | Low | 70.2 | Confident | 186 Ų | 186 | 115.2 Ų | 115.2 | 70% | 0.702 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 172.2 | -81.8 | -175.6 | 171.9 | 179.5 | -1.1 | 111.3 | V111 Y112 W117 K118 H119 | V111-R115 HydrophobicContact CG1-CG 4.48Å; V111-R115 WeakPolarHBondContact O-CB 3.3Å; V111-R115 WeakPolarHBondContact O-CG 3.42Å; V111-R115 PolarHBondContact O-N 3.4Å; Y112-R115 PolarHBondContact O-N 3.23Å; R115-W117 VanDerWaalsContact C-N 3.32Å; R115-W117 PolarHBondContact O-N 3.28Å; R115-K118 PolarHBondContact O-N 3.01Å; R115-H119 PolarHBondContact O-N 2.7Å |
| 116 | R | 64.1 | Low | 68.5 | Low | 190 Ų | 190 | 117.7 Ų | 117.7 | 72% | 0.717 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.9 | -40.4 | 175.2 | -168.5 | 172.8 | -177.6 | 173.5 | -0.4 | 111.4 | Y112 R113 H119 N120 | Y112-R116 WeakPolarHBondContact O-CB 3.03Å; Y112-R116 PolarHBondContact O-N 3.36Å; R113-R116 PolarHBondContact O-N 3.19Å; R116-H119 PolarHBondContact O-N 3.14Å; R116-N120 PolarHBondContact O-N 2.92Å; R116-N120 VanDerWaalsContact O-N 3.13Å |
| 117 | W | 62.8 | Low | 67.1 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 49% | 0.489 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 176.8 | -172.4 | 64.6 | 0 | 0 | 0 | 112.7 | R113 F114 R115 H119 N120 K121 | R113-W117 WeakPolarHBondContact O-CB 3.49Å; R113-W117 PolarHBondContact O-N 2.84Å; F114-W117 AromaticContact CD2-CE3 3.98Å; F114-W117 HydrophobicContact CD2-CE3 3.98Å; F114-W117 HydrophobicContact CD2-CZ3 4.24Å; F114-W117 AromaticContact CE2-CE3 3.89Å; F114-W117 HydrophobicContact CE2-CE3 3.89Å; F114-W117 AromaticContact CE2-CZ3 3.75Å; F114-W117 HydrophobicContact CE2-CZ3 3.75Å; F114-W117 HydrophobicContact CZ-CZ3 4.48Å; F114-W117 PolarHBondContact O-N 3.29Å; R115-W117 VanDerWaalsContact C-N 3.32Å; R115-W117 PolarHBondContact O-N 3.28Å; W117-H119 VanDerWaalsContact C-N 3.28Å; W117-H119 PolarHBondContact O-N 3.37Å; W117-N120 CarbonylContact O-C 3.56Å; W117-N120 PolarHBondContact O-N 3.45Å; W117-K121 HydrophobicContact CD2-CD 4.03Å; W117-K121 HydrophobicContact CD2-CG 4.25Å; W117-K121 HydrophobicContact CE3-CD 3.97Å; W117-K121 HydrophobicContact CH2-CD 4.01Å; W117-K121 HydrophobicContact CZ2-CD 3.98Å; W117-K121 HydrophobicContact CZ2-CG 4.5Å; W117-K121 HydrophobicContact CZ3-CD 3.95Å; W117-K121 WeakPolarHBondContact O-CB 3.5Å; W117-K121 PolarHBondContact O-N 2.78Å |
| 118 | K | 63.1 | Low | 66 | Low | 136 Ų | 136 | 118.7 Ų | 118.7 | 59% | 0.591 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.3 | -33.6 | 175.6 | -168.1 | 175.6 | -178 | 177.5 | 0 | 111.9 | F114 R115 | F114-K118 WeakPolarHBondContact O-CB 3.43Å; F114-K118 PolarHBondContact O-N 3.17Å; R115-K118 PolarHBondContact O-N 3.01Å |
| 119 | H | 58.7 | Low | 64.9 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70 | -42 | 172.5 | -160.2 | -81.8 | 0 | 0 | 0 | 111.6 | R115 R116 W117 K122 | R115-H119 PolarHBondContact O-N 2.7Å; R116-H119 PolarHBondContact O-N 3.14Å; W117-H119 VanDerWaalsContact C-N 3.28Å; W117-H119 PolarHBondContact O-N 3.37Å; H119-K122 PolarHBondContact O-N 3.39Å |
| 120 | N | 57.4 | Low | 63.7 | Low | 80 Ų | 80 | 115 Ų | 115 | 43% | 0.428 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.8 | -32.2 | 175.8 | -78.6 | -29.9 | 0 | 0 | 0 | 113.2 | R116 W117 K122 Q123 L124 | R116-N120 PolarHBondContact O-N 2.92Å; R116-N120 VanDerWaalsContact O-N 3.13Å; W117-N120 CarbonylContact O-C 3.56Å; W117-N120 PolarHBondContact O-N 3.45Å; N120-K122 VanDerWaalsContact C-N 3.33Å; N120-K122 PolarHBondContact O-N 3.18Å; N120-Q123 PolarHBondContact O-N 3.43Å; N120-L124 WeakPolarHBondContact O-CB 3.16Å; N120-L124 PolarHBondContact O-N 3.42Å |
| 121 | K | 58.7 | Low | 62.5 | Low | 102 Ų | 102 | 118.3 Ų | 118.3 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -33.4 | 176.5 | -90.9 | -170.5 | 152.2 | 179 | 0 | 113.4 | W117 L124 A125 | W117-K121 HydrophobicContact CD2-CD 4.03Å; W117-K121 HydrophobicContact CD2-CG 4.25Å; W117-K121 HydrophobicContact CE3-CD 3.97Å; W117-K121 HydrophobicContact CH2-CD 4.01Å; W117-K121 HydrophobicContact CZ2-CD 3.98Å; W117-K121 HydrophobicContact CZ2-CG 4.5Å; W117-K121 HydrophobicContact CZ3-CD 3.95Å; W117-K121 WeakPolarHBondContact O-CB 3.5Å; W117-K121 PolarHBondContact O-N 2.78Å; K121-L124 PolarHBondContact O-N 3.13Å; K121-A125 WeakPolarHBondContact O-CB 3.5Å; K121-A125 PolarHBondContact O-N 3.14Å |
| 122 | K | 57.2 | Low | 61.3 | Low | 147 Ų | 147 | 121.3 Ų | 121.3 | 64% | 0.639 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 174 | -71.9 | -172.5 | 174.6 | -170.4 | 0 | 111.2 | H119 N120 A125 E126 | H119-K122 PolarHBondContact O-N 3.39Å; N120-K122 VanDerWaalsContact C-N 3.33Å; N120-K122 PolarHBondContact O-N 3.18Å; K122-A125 PolarHBondContact O-N 3.33Å; K122-E126 PolarHBondContact O-N 3.26Å; K122-E126 VanDerWaalsContact O-N 3.16Å |
| 123 | Q | 53.5 | Low | 60.4 | Low | 65 Ų | 65 | 115.9 Ų | 115.9 | 30% | 0.304 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 175.9 | -65.3 | -179.5 | 1.3 | 0 | 0 | 112.1 | N120 E126 L127 | N120-Q123 PolarHBondContact O-N 3.43Å; Q123-E126 PolarHBondContact O-N 3.09Å; Q123-L127 WeakPolarHBondContact O-CB 3.08Å; Q123-L127 PolarHBondContact O-N 3.4Å |
| 124 | L | 57.4 | Low | 59.6 | Low | 109 Ų | 109 | 109.6 Ų | 109.6 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.6 | -33.5 | 176.3 | -166.3 | 65.6 | 0 | 0 | 0 | 112.2 | N120 K121 L127 N128 | N120-L124 WeakPolarHBondContact O-CB 3.16Å; N120-L124 PolarHBondContact O-N 3.42Å; K121-L124 PolarHBondContact O-N 3.13Å; L124-L127 HydrophobicContact CD1-CD2 4.44Å; L124-L127 PolarHBondContact O-N 3.43Å; L124-N128 VanDerWaalsContact O-CB 3.23Å; L124-N128 WeakPolarHBondContact O-CB 3.31Å; L124-N128 PolarHBondContact O-N 3.27Å |
| 125 | A | 58.8 | Low | 58.8 | Low | 64 Ų | 64 | 111.4 Ų | 111.4 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.7 | -40 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K121 K122 L127 N128 A129 | K121-A125 WeakPolarHBondContact O-CB 3.5Å; K121-A125 PolarHBondContact O-N 3.14Å; K122-A125 PolarHBondContact O-N 3.33Å; A125-L127 VanDerWaalsContact C-N 3.35Å; A125-N128 PolarHBondContact O-N 3.24Å; A125-A129 WeakPolarHBondContact O-CB 3.33Å; A125-A129 PolarHBondContact O-N 3.49Å |
| 126 | E | 54.4 | Low | 58.1 | Low | 141 Ų | 141 | 105.4 Ų | 105.4 | 66% | 0.659 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -36.9 | 172.6 | -72 | 177 | -174.9 | 0 | 0 | 111.7 | K122 Q123 F130 | K122-E126 PolarHBondContact O-N 3.26Å; K122-E126 VanDerWaalsContact O-N 3.16Å; Q123-E126 PolarHBondContact O-N 3.09Å; E126-F130 WeakPolarHBondContact O-CB 3.4Å; E126-F130 PolarHBondContact O-N 3.37Å |
| 127 | L | 58.7 | Low | 57.1 | Low | 79 Ų | 79 | 97.3 Ų | 97.3 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.3 | -37.9 | 174.8 | -160.8 | 78.7 | 0 | 0 | 0 | 112.2 | Q123 L124 A125 F130 Y131 | Q123-L127 WeakPolarHBondContact O-CB 3.08Å; Q123-L127 PolarHBondContact O-N 3.4Å; L124-L127 HydrophobicContact CD1-CD2 4.44Å; L124-L127 PolarHBondContact O-N 3.43Å; A125-L127 VanDerWaalsContact C-N 3.35Å; L127-F130 WeakPolarHBondContact O-CB 3.3Å; L127-F130 PolarHBondContact O-N 3.22Å; L127-Y131 HydrophobicContact CD2-CE2 4.44Å; L127-Y131 HydrophobicContact CG-CD2 4.22Å; L127-Y131 HydrophobicContact CG-CE2 4.37Å; L127-Y131 WeakPolarHBondContact O-CD2 3.35Å; L127-Y131 PolarHBondContact O-N 3.33Å |
| 128 | N | 61.9 | Low | 56.3 | Low | 109 Ų | 109 | 97 Ų | 97 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.8 | -40.7 | 176.7 | -164.7 | 54 | 0 | 0 | 0 | 111 | L124 A125 F130 Y131 E132 | L124-N128 VanDerWaalsContact O-CB 3.23Å; L124-N128 WeakPolarHBondContact O-CB 3.31Å; L124-N128 PolarHBondContact O-N 3.27Å; A125-N128 PolarHBondContact O-N 3.24Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.41Å; N128-Y131 PolarHBondContact O-N 2.75Å; N128-E132 WeakPolarHBondContact O-CB 3.47Å; N128-E132 PolarHBondContact O-N 2.79Å |
| 129 | A | 61.6 | Low | 55.4 | Low | 43 Ų | 43 | 93.2 Ų | 93.2 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A125 I133 | A125-A129 WeakPolarHBondContact O-CB 3.33Å; A125-A129 PolarHBondContact O-N 3.49Å; A129-I133 VanDerWaalsContact O-CD1 3.28Å; A129-I133 WeakPolarHBondContact O-CD1 3.38Å; A129-I133 WeakPolarHBondContact O-CG1 3.31Å; A129-I133 PolarHBondContact O-N 3.38Å |
| 130 | F | 58.5 | Low | 54.7 | Low | 94 Ų | 94 | 93 Ų | 93 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 174.1 | -172.9 | -98.4 | 0 | 0 | 0 | 112.2 | E126 L127 N128 I133 V134 | E126-F130 WeakPolarHBondContact O-CB 3.4Å; E126-F130 PolarHBondContact O-N 3.37Å; L127-F130 WeakPolarHBondContact O-CB 3.3Å; L127-F130 PolarHBondContact O-N 3.22Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.41Å; F130-I133 PolarHBondContact O-N 3.49Å; F130-V134 HydrophobicContact CD1-CG2 4.08Å; F130-V134 HydrophobicContact CE1-CG2 3.76Å; F130-V134 HydrophobicContact CZ-CG2 4.06Å; F130-V134 VanDerWaalsContact O-CG2 3.3Å; F130-V134 WeakPolarHBondContact O-CG2 3.41Å; F130-V134 PolarHBondContact O-N 2.8Å |
| 131 | Y | 57.5 | Low | 54 | Low | 150 Ų | 150 | 94 Ų | 94 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -43.3 | 175.3 | -100.4 | -84.2 | 0 | 0 | 0 | 112.1 | L127 N128 I133 V134 E135 | L127-Y131 HydrophobicContact CD2-CE2 4.44Å; L127-Y131 HydrophobicContact CG-CD2 4.22Å; L127-Y131 HydrophobicContact CG-CE2 4.37Å; L127-Y131 WeakPolarHBondContact O-CD2 3.35Å; L127-Y131 PolarHBondContact O-N 3.33Å; N128-Y131 PolarHBondContact O-N 2.75Å; Y131-I133 VanDerWaalsContact C-N 3.3Å; Y131-I133 PolarHBondContact O-N 3.42Å; Y131-V134 PolarHBondContact O-N 3.38Å; Y131-E135 WeakPolarHBondContact O-CB 3.27Å; Y131-E135 PolarHBondContact O-N 3.11Å |
| 132 | E | 56.6 | Low | 53.3 | Low | 132 Ų | 132 | 92.5 Ų | 92.5 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -35 | 176.6 | -166 | -178.7 | 177.2 | 0 | 0 | 112 | N128 S136 | N128-E132 WeakPolarHBondContact O-CB 3.47Å; N128-E132 PolarHBondContact O-N 2.79Å; E132-S136 WeakPolarHBondContact O-CB 3.27Å; E132-S136 PolarHBondContact O-N 2.94Å; E132-S136 PolarHBondContact O-OG 2.72Å |
| 133 | I | 58.2 | Low | 52.5 | Low | 54 Ų | 54 | 89.1 Ų | 89.1 | 28% | 0.277 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.1 | -37.9 | 174.1 | -67.5 | 162.7 | 0 | 0 | 0 | 111.6 | A129 F130 Y131 S136 | A129-I133 VanDerWaalsContact O-CD1 3.28Å; A129-I133 WeakPolarHBondContact O-CD1 3.38Å; A129-I133 WeakPolarHBondContact O-CG1 3.31Å; A129-I133 PolarHBondContact O-N 3.38Å; F130-I133 PolarHBondContact O-N 3.49Å; Y131-I133 VanDerWaalsContact C-N 3.3Å; Y131-I133 PolarHBondContact O-N 3.42Å; I133-S136 PolarHBondContact O-OG 3.19Å |
| 134 | V | 56.3 | Low | 52 | Low | 49 Ų | 49 | 93.3 Ų | 93.3 | 30% | 0.297 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.1 | -41.7 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | F130 Y131 S137 L140 | F130-V134 HydrophobicContact CD1-CG2 4.08Å; F130-V134 HydrophobicContact CE1-CG2 3.76Å; F130-V134 HydrophobicContact CZ-CG2 4.06Å; F130-V134 VanDerWaalsContact O-CG2 3.3Å; F130-V134 WeakPolarHBondContact O-CG2 3.41Å; F130-V134 PolarHBondContact O-N 2.8Å; Y131-V134 PolarHBondContact O-N 3.38Å; V134-S137 PolarHBondContact O-N 3.29Å; V134-S137 PolarHBondContact O-OG 2.76Å; V134-L140 HydrophobicContact CG1-CD1 4.11Å |
| 135 | E | 52.5 | Low | 51.2 | Low | 159 Ų | 159 | 94.3 Ų | 94.3 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -76.1 | -29.9 | -178.5 | -165 | 166.6 | -161.6 | 0 | 0 | 113.1 | Y131 S137 | Y131-E135 WeakPolarHBondContact O-CB 3.27Å; Y131-E135 PolarHBondContact O-N 3.11Å; E135-S137 PolarHBondContact O-N 3.5Å |
| 136 | S | 51.2 | Low | 50.4 | Low | 59 Ų | 59 | 99.5 Ų | 99.5 | 41% | 0.413 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | 1 | 172.5 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | E132 I133 P138 | E132-S136 WeakPolarHBondContact O-CB 3.27Å; E132-S136 PolarHBondContact O-N 2.94Å; E132-S136 PolarHBondContact O-OG 2.72Å; I133-S136 PolarHBondContact O-OG 3.19Å; S136-P138 WeakPolarHBondContact O-CD 3.5Å |
| 137 | S | 44.2 | Very low | 49.8 | Very low | 21 Ų | 21 | 98 Ų | 98 | 15% | 0.147 | 55% | 0.549 | C | S | . | . | trans | -88.9 | 118.3 | 174.2 | 78.1 | 0 | 0 | 0 | 0 | 110.6 | V134 E135 C139 | V134-S137 PolarHBondContact O-N 3.29Å; V134-S137 PolarHBondContact O-OG 2.76Å; E135-S137 PolarHBondContact O-N 3.5Å; S137-C139 PolarHBondContact O-N 3.49Å | ||
| 138 | P | 46.7 | Very low | 49.1 | Very low | 123 Ų | 123 | 99.4 Ų | 99.4 | 80% | 0.799 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -70.4 | 13.6 | -179.3 | 28.2 | -32.9 | 0 | 0 | 0 | 113.6 | S136 | S136-P138 WeakPolarHBondContact O-CD 3.5Š|
| 139 | C | 42.7 | Very low | 48.1 | Very low | 56 Ų | 56 | 101 Ų | 101 | 38% | 0.378 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -91.9 | -11.8 | -170.7 | -48.3 | 0 | 0 | 0 | 0 | 113.4 | S137 A141 | S137-C139 PolarHBondContact O-N 3.49Å; C139-A141 VanDerWaalsContact C-N 3.27Å; C139-A141 PolarHBondContact O-N 3.33Å |
| 140 | L | 45.1 | Very low | 47.2 | Very low | 117 Ų | 117 | 105.5 Ų | 105.5 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -74.3 | -9.9 | -178.8 | -89.3 | 152.3 | 0 | 0 | 0 | 114.5 | V134 S142 | V134-L140 HydrophobicContact CG1-CD1 4.11Å; L140-S142 PolarHBondContact O-N 2.87Å |
| 141 | A | 41.8 | Very low | 46.2 | Very low | 102 Ų | 102 | 104.8 Ų | 104.8 | 84% | 0.843 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -71.4 | -12.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | C139 | C139-A141 VanDerWaalsContact C-N 3.27Å; C139-A141 PolarHBondContact O-N 3.33Å |
| 142 | S | 44.1 | Very low | 45.5 | Very low | 69 Ų | 69 | 107.2 Ų | 107.2 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -95.4 | -6.6 | -172.3 | -173.8 | 0 | 0 | 0 | 0 | 115.4 | L140 K144 | L140-S142 PolarHBondContact O-N 2.87Å; S142-K144 PolarHBondContact O-N 2.89Å; S142-K144 WeakPolarHBondContact OG-CD 3.48Å |
| 143 | G | 40.5 | Very low | 44.8 | Very low | 77 Ų | 77 | 107.4 Ų | 107.4 | 79% | 0.794 | 60% | 0.597 | S | S | * | * | trans | 56.7 | 19.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 144 | K | 42.6 | Very low | 44.1 | Very low | 152 Ų | 152 | 110.7 Ų | 110.7 | 66% | 0.661 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 128.8 | -178.2 | -75.1 | 174.8 | -174.8 | 172.3 | 0 | 110.1 | S142 Y146 | S142-K144 PolarHBondContact O-N 2.89Å; S142-K144 WeakPolarHBondContact OG-CD 3.48Å; K144-Y146 PolarHBondContact O-N 3.32Å |
| 145 | P | 41.9 | Very low | 43.3 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 85% | 0.851 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 118.5 | 173.6 | 26.5 | -32.2 | 0 | 0 | 0 | 109.5 | ||
| 146 | Y | 42.5 | Very low | 42.8 | Very low | 173 Ų | 173 | 117.6 Ų | 117.6 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 117.9 | 176.4 | -106.9 | -95.1 | 0 | 0 | 0 | 110.2 | K144 | K144-Y146 PolarHBondContact O-N 3.32Š|
| 147 | L | 40.1 | Very low | 42.4 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 58% | 0.576 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 117.7 | 171.8 | -161 | 130.6 | 0 | 0 | 0 | 107.7 | Q149 | L147-Q149 HydrophobicContact CD2-CB 4.21Å; L147-Q149 PolarHBondContact O-N 3.31Å |
| 148 | I | 45.2 | Very low | 42.6 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 55% | 0.549 | 69% | 0.687 | S | S | . | * | trans | -71.3 | 81.1 | 176.2 | -56.9 | 172.7 | 0 | 0 | 0 | 107.7 | V166 | I148-V166 HydrophobicContact CG2-CG1 4.1Š| ||
| 149 | Q | 40.4 | Very low | 42.6 | Very low | 144 Ų | 144 | 122 Ų | 122 | 67% | 0.673 | 66% | 0.657 | S | S | * | * | trans | -84.4 | 114.4 | 168.8 | -165.2 | 161.1 | -0.8 | 0 | 0 | 107.1 | L147 C151 | L147-Q149 HydrophobicContact CD2-CB 4.21Å; L147-Q149 PolarHBondContact O-N 3.31Å; Q149-C151 PolarHBondContact O-N 3.45Å | ||
| 150 | H | 42.1 | Very low | 42.7 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 63% | 0.634 | 65% | 0.654 | S | S | * | * | trans | -55.2 | 85.3 | 166.3 | -108.5 | -82.7 | 0 | 0 | 0 | 108.6 | K152 C167 | H150-K152 PolarHBondContact O-N 2.79Å; H150-C167 PolarHBondContact CE1-SG 3.16Å | ||
| 151 | C | 37.3 | Very low | 42.9 | Very low | 79 Ų | 79 | 123.7 Ų | 123.7 | 53% | 0.534 | 65% | 0.652 | S | S | . | * | trans | -80.9 | 117.8 | 175 | -118.8 | 0 | 0 | 0 | 0 | 107.4 | Q149 D153 | Q149-C151 PolarHBondContact O-N 3.45Å; C151-D153 PolarHBondContact O-N 3.35Å | ||
| 152 | K | 44.7 | Very low | 43.4 | Very low | 201 Ų | 201 | 121.6 Ų | 121.6 | 87% | 0.874 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -70.4 | -7.2 | 173.3 | -89.1 | -175.7 | 170.8 | -173.9 | 0 | 112.9 | H150 V154 | H150-K152 PolarHBondContact O-N 2.79Å; K152-V154 PolarHBondContact O-N 2.83Å |
| 153 | D | 41.2 | Very low | 43.7 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -101.5 | 88.3 | -177.4 | -64.6 | -39.4 | 0 | 0 | 0 | 109.9 | C151 E155 | C151-D153 PolarHBondContact O-N 3.35Å; D153-E155 PolarHBondContact O-N 2.69Å | ||
| 154 | V | 43.5 | Very low | 44 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 74% | 0.739 | 61% | 0.61 | S | S | * | * | trans | -74.7 | 65.6 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | K152 | K152-V154 PolarHBondContact O-N 2.83Š| ||
| 155 | E | 39 | Very low | 44.2 | Very low | 157 Ų | 157 | 119.5 Ų | 119.5 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -143.3 | 116.5 | 168.8 | -73.2 | -156.2 | 175.4 | 0 | 0 | 110.4 | D153 | D153-E155 PolarHBondContact O-N 2.69Š|
| 156 | K | 41.9 | Very low | 44.7 | Very low | 197 Ų | 197 | 115.5 Ų | 115.5 | 86% | 0.857 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 82.1 | 41.4 | 156.4 | -57.9 | 168.5 | 177.8 | 165.5 | 0 | 120 | ||
| 157 | S | 42.9 | Very low | 44.8 | Very low | 75 Ų | 75 | 110 Ų | 110 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | trans | -135.8 | 129.1 | 169.8 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | C159 D160 | S157-C159 PolarHBondContact O-N 3.32Å; S157-C159 PolarHBondContact OG-N 3.29Å; S157-D160 WeakPolarHBondContact O-CB 3.32Å; S157-D160 PolarHBondContact O-N 2.98Å | ||
| 158 | E | 48.8 | Very low | 44.9 | Very low | 196 Ų | 196 | 109 Ų | 109 | 92% | 0.916 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -5.3 | 175.4 | -62 | -177.9 | 150.4 | 0 | 0 | 113.8 | D160 | E158-D160 PolarHBondContact O-N 3.25Š|
| 159 | C | 46.6 | Very low | 44.6 | Very low | 24 Ų | 24 | 109 Ų | 109 | 16% | 0.162 | 56% | 0.559 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | -0 | 169.2 | -61.3 | 0 | 0 | 0 | 0 | 114.8 | S157 R161 I162 T163 | S157-C159 PolarHBondContact O-N 3.32Å; S157-C159 PolarHBondContact OG-N 3.29Å; C159-R161 PolarHBondContact O-N 3.27Å; C159-R161 VanDerWaalsContact O-N 3.09Å; C159-I162 PolarHBondContact O-N 2.99Å; C159-T163 PolarHBondContact O-N 2.83Å; C159-T163 VanDerWaalsContact O-N 3.11Å; C159-T163 PolarHBondContact O-OG1 3.05Å |
| 160 | D | 44.7 | Very low | 44.8 | Very low | 58 Ų | 58 | 104.5 Ų | 104.5 | 31% | 0.31 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.2 | -30.1 | -173.4 | -165.7 | 21.8 | 0 | 0 | 0 | 113.5 | S157 E158 R164 | S157-D160 WeakPolarHBondContact O-CB 3.32Å; S157-D160 PolarHBondContact O-N 2.98Å; E158-D160 PolarHBondContact O-N 3.25Å; D160-R164 WeakPolarHBondContact O-CB 3.33Å; D160-R164 WeakPolarHBondContact O-CG 3.41Å; D160-R164 PolarHBondContact O-N 3.43Å; D160-R164 PolarHBondContact O-NE 3.39Å; D160-R164 IonicContact OD1-CZ 3.98Å; D160-R164 IonicContact OD1-NE 3.08Å; D160-R164 PolarHBondContact OD1-NE 3.03Å; D160-R164 VanDerWaalsContact OD1-NE 3.08Å; D160-R164 IonicContact OD2-CZ 3.13Å; D160-R164 IonicContact OD2-NE 3.02Å; D160-R164 PolarHBondContact OD2-NE 3.48Å; D160-R164 IonicContact OD2-NH2 2.63Å; D160-R164 PolarHBondContact OD2-NH2 3.25Å |
| 161 | R | 49.1 | Very low | 44.8 | Very low | 150 Ų | 150 | 107.5 Ų | 107.5 | 57% | 0.566 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.2 | -39.1 | 177.3 | -70.5 | 179.5 | 72.3 | -156.4 | 0.1 | 113.1 | C159 A165 | C159-R161 PolarHBondContact O-N 3.27Å; C159-R161 VanDerWaalsContact O-N 3.09Å; R161-A165 PolarHBondContact O-N 3.46Å; R161-A165 VanDerWaalsContact O-N 3.12Å |
| 162 | I | 51.9 | Low | 45.1 | Very low | 59 Ų | 59 | 109.3 Ų | 109.3 | 30% | 0.303 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -77.9 | -42.1 | -177.7 | -60.7 | 167.4 | 0 | 0 | 0 | 109.4 | C159 R164 A165 V166 | C159-I162 PolarHBondContact O-N 2.99Å; I162-R164 VanDerWaalsContact C-N 3.32Å; I162-R164 PolarHBondContact O-N 2.9Å; I162-A165 PolarHBondContact O-N 3.42Å; I162-A165 VanDerWaalsContact O-N 3.17Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 2.87Å; I162-V166 VanDerWaalsContact O-N 3.09Å |
| 163 | T | 50.9 | Low | 44.8 | Very low | 61 Ų | 61 | 101.1 Ų | 101.1 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 175.1 | -48.6 | 0 | 0 | 0 | 0 | 111.4 | C159 V166 C167 | C159-T163 PolarHBondContact O-N 2.83Å; C159-T163 VanDerWaalsContact O-N 3.11Å; C159-T163 PolarHBondContact O-OG1 3.05Å; T163-V166 PolarHBondContact O-N 3.49Å; T163-C167 VanDerWaalsContact O-CB 3.28Å; T163-C167 WeakPolarHBondContact O-CB 3.42Å; T163-C167 PolarHBondContact O-N 2.93Å; T163-C167 PolarHBondContact O-SG 3.33Å |
| 164 | R | 47.1 | Very low | 45.1 | Very low | 152 Ų | 152 | 101.4 Ų | 101.4 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.5 | -29.6 | 173.1 | -77.1 | -170.8 | -91.2 | 159.3 | -4.9 | 113.8 | D160 I162 V168 | D160-R164 WeakPolarHBondContact O-CB 3.33Å; D160-R164 WeakPolarHBondContact O-CG 3.41Å; D160-R164 PolarHBondContact O-N 3.43Å; D160-R164 PolarHBondContact O-NE 3.39Å; D160-R164 IonicContact OD1-CZ 3.98Å; D160-R164 IonicContact OD1-NE 3.08Å; D160-R164 PolarHBondContact OD1-NE 3.03Å; D160-R164 VanDerWaalsContact OD1-NE 3.08Å; D160-R164 IonicContact OD2-CZ 3.13Å; D160-R164 IonicContact OD2-NE 3.02Å; D160-R164 PolarHBondContact OD2-NE 3.48Å; D160-R164 IonicContact OD2-NH2 2.63Å; D160-R164 PolarHBondContact OD2-NH2 3.25Å; I162-R164 VanDerWaalsContact C-N 3.32Å; I162-R164 PolarHBondContact O-N 2.9Å; R164-V168 VanDerWaalsContact O-CG2 3.24Å; R164-V168 WeakPolarHBondContact O-CG2 3.48Å |
| 165 | A | 47.3 | Very low | 45.1 | Very low | 40 Ų | 40 | 99.8 Ų | 99.8 | 33% | 0.331 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.2 | -31.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | R161 I162 | R161-A165 PolarHBondContact O-N 3.46Å; R161-A165 VanDerWaalsContact O-N 3.12Å; I162-A165 PolarHBondContact O-N 3.42Å; I162-A165 VanDerWaalsContact O-N 3.17Å |
| 166 | V | 51.1 | Low | 45.4 | Very low | 47 Ų | 47 | 98.9 Ų | 98.9 | 29% | 0.285 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -85.9 | -24.5 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | I148 I162 T163 | I148-V166 HydrophobicContact CG2-CG1 4.1Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 2.87Å; I162-V166 VanDerWaalsContact O-N 3.09Å; T163-V166 PolarHBondContact O-N 3.49Å |
| 167 | C | 44.2 | Very low | 45.3 | Very low | 59 Ų | 59 | 96.1 Ų | 96.1 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -88 | 6.2 | -179.2 | -73.6 | 0 | 0 | 0 | 0 | 115.1 | H150 T163 P169 | H150-C167 PolarHBondContact CE1-SG 3.16Å; T163-C167 VanDerWaalsContact O-CB 3.28Å; T163-C167 WeakPolarHBondContact O-CB 3.42Å; T163-C167 PolarHBondContact O-N 2.93Å; T163-C167 PolarHBondContact O-SG 3.33Å; C167-P169 VanDerWaalsContact O-CD 3.3Å; C167-P169 WeakPolarHBondContact O-CD 3.25Å |
| 168 | V | 42.3 | Very low | 45.2 | Very low | 89 Ų | 89 | 98.2 Ų | 98.2 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | trans | -73.5 | 118.1 | 178.9 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | R164 T170 | R164-V168 VanDerWaalsContact O-CG2 3.24Å; R164-V168 WeakPolarHBondContact O-CG2 3.48Å; V168-T170 PolarHBondContact O-N 3.37Å | ||
| 169 | P | 40.4 | Very low | 45.2 | Very low | 107 Ų | 107 | 94.5 Ų | 94.5 | 70% | 0.695 | 50% | 0.501 | S | S | * | . | trans | -76.2 | 89 | -178 | 29.1 | -28.7 | 0 | 0 | 0 | 109.7 | C167 Q171 | C167-P169 VanDerWaalsContact O-CD 3.3Å; C167-P169 WeakPolarHBondContact O-CD 3.25Å; P169-Q171 VanDerWaalsContact C-N 3.28Å; P169-Q171 PolarHBondContact O-N 3.18Å | ||
| 170 | T | 43.3 | Very low | 45.2 | Very low | 49 Ų | 49 | 97.7 Ų | 97.7 | 30% | 0.301 | 52% | 0.522 | S | S | . | . | trans | -79 | 77.9 | 174.3 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | V168 S172 S173 F176 | V168-T170 PolarHBondContact O-N 3.37Å; T170-S172 PolarHBondContact O-N 2.88Å; T170-S173 PolarHBondContact O-N 3.03Å; T170-S173 VanDerWaalsContact O-N 3.14Å; T170-S173 WeakPolarHBondContact OG1-CB 3.26Å; T170-F176 VanDerWaalsContact OG1-CD2 3.3Å; T170-F176 WeakPolarHBondContact OG1-CD2 3.3Å | ||
| 171 | Q | 43.1 | Very low | 45.3 | Very low | 200 Ų | 200 | 101.6 Ų | 101.6 | 94% | 0.935 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -0.9 | 170.7 | -67.9 | -164 | -7.8 | 0 | 0 | 113.6 | P169 | P169-Q171 VanDerWaalsContact C-N 3.28Å; P169-Q171 PolarHBondContact O-N 3.18Å |
| 172 | S | 44.1 | Very low | 44.8 | Very low | 116 Ų | 116 | 103.7 Ų | 103.7 | 81% | 0.811 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -1.1 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | T170 | T170-S172 PolarHBondContact O-N 2.88Š|
| 173 | S | 38.3 | Very low | 44.2 | Very low | 29 Ų | 29 | 104 Ų | 104 | 20% | 0.203 | 58% | 0.575 | C | S | . | * | trans | -108.5 | 123 | -175.1 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | T170 F175 F176 | T170-S173 PolarHBondContact O-N 3.03Å; T170-S173 VanDerWaalsContact O-N 3.14Å; T170-S173 WeakPolarHBondContact OG1-CB 3.26Å; S173-F175 PolarHBondContact O-N 3.42Å; S173-F175 VanDerWaalsContact O-N 3.14Å; S173-F175 PolarHBondContact OG-N 2.96Å; S173-F176 PolarHBondContact O-N 3.47Å | ||
| 174 | I | 47.1 | Very low | 43.6 | Very low | 142 Ų | 142 | 110.2 Ų | 110.2 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -65.1 | -13.7 | 177.4 | -48.8 | 167.1 | 0 | 0 | 0 | 111.1 | ||
| 175 | F | 44 | Very low | 43.3 | Very low | 89 Ų | 89 | 108.8 Ų | 108.8 | 39% | 0.39 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -83.2 | -16.3 | -179.8 | -68.7 | -83.6 | 0 | 0 | 0 | 114.9 | S173 | S173-F175 PolarHBondContact O-N 3.42Å; S173-F175 VanDerWaalsContact O-N 3.14Å; S173-F175 PolarHBondContact OG-N 2.96Å |
| 176 | F | 44.7 | Very low | 42.7 | Very low | 138 Ų | 138 | 112.3 Ų | 112.3 | 61% | 0.605 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -119.4 | 21.5 | -176.5 | -66.3 | -78.3 | 0 | 0 | 0 | 112.9 | T170 S173 | T170-F176 VanDerWaalsContact OG1-CD2 3.3Å; T170-F176 WeakPolarHBondContact OG1-CD2 3.3Å; S173-F176 PolarHBondContact O-N 3.47Å |
| 177 | Q | 40.3 | Very low | 41.9 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 127.8 | 171.7 | -72.7 | -172.4 | -18 | 0 | 0 | 109.5 | I179 | Q177-I179 PolarHBondContact O-N 2.89Š|
| 178 | P | 40.6 | Very low | 41.5 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 77% | 0.766 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -55 | 128.8 | 171.8 | -16.8 | 26.5 | 0 | 0 | 0 | 109.1 | ||
| 179 | I | 48.8 | Very low | 41.1 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 61% | 0.605 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 123.9 | 175.1 | -61.6 | 168.1 | 0 | 0 | 0 | 107.4 | Q177 A183 | Q177-I179 PolarHBondContact O-N 2.89Å; I179-A183 HydrophobicContact CG2-CB 3.53Å |
| 180 | P | 45.7 | Very low | 40.7 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -60 | 140.7 | 179.7 | 20.6 | -29.9 | 0 | 0 | 0 | 109.5 | K182 A183 | P180-K182 PolarHBondContact O-N 3.37Å; P180-A183 PolarHBondContact O-N 3.45Å; P180-A183 VanDerWaalsContact O-N 3.11Å |
| 181 | P | 46.3 | Very low | 40.4 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 92% | 0.916 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 8.8 | -170.6 | 24.3 | -34.6 | 0 | 0 | 0 | 115.3 | ||
| 182 | K | 40.3 | Very low | 40.2 | Very low | 193 Ų | 193 | 125.9 Ų | 125.9 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 9 | 179.5 | -66.5 | -170.6 | 175.5 | 179.1 | 0 | 113.8 | P180 K184 | P180-K182 PolarHBondContact O-N 3.37Å; K182-K184 PolarHBondContact O-N 2.98Å |
| 183 | A | 39.3 | Very low | 39.9 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 54% | 0.537 | 69% | 0.687 | S | S | . | * | trans | -69.6 | 119.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I179 P180 | I179-A183 HydrophobicContact CG2-CB 3.53Å; P180-A183 PolarHBondContact O-N 3.45Å; P180-A183 VanDerWaalsContact O-N 3.11Å | ||
| 184 | K | 37.5 | Very low | 39.9 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -60.9 | 135.6 | 176.3 | -66.4 | 176.8 | 177.3 | 176.6 | 0 | 109.6 | K182 V186 | K182-K184 PolarHBondContact O-N 2.98Å; K184-V186 PolarHBondContact O-N 3.46Å | ||
| 185 | S | 39.7 | Very low | 39.6 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | trans | -65.2 | 114.9 | 171.6 | 54 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 186 | V | 35.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | trans | -87.7 | 114.1 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 107 | K184 C188 | K184-V186 PolarHBondContact O-N 3.46Å; V186-C188 PolarHBondContact O-N 3Å | ||
| 187 | R | 33.9 | Very low | 39.5 | Very low | 223 Ų | 223 | 127.5 Ų | 127.5 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | trans | -61.5 | 116 | 172.2 | -93.3 | -179.9 | 169.7 | 140.4 | -4.2 | 109.2 | N189 | R187-N189 PolarHBondContact O-N 2.75Š| ||
| 188 | C | 36.7 | Very low | 39.9 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | trans | -77.5 | 96.9 | 163.4 | -72 | 0 | 0 | 0 | 0 | 108.4 | V186 | V186-C188 PolarHBondContact O-N 3Š| ||
| 189 | N | 33.5 | Very low | 40.2 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | trans | -79.8 | 120.3 | 161.6 | -79.2 | -17.7 | 0 | 0 | 0 | 108 | R187 | R187-N189 PolarHBondContact O-N 2.75Š| ||
| 190 | S | 32.8 | Very low | 39.8 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 32.8 | 90.2 | 142.8 | 59.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 191 | D | 36.2 | Very low | 40 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | 168.4 | 127.5 | 127.4 | -83.6 | -24 | 0 | 0 | 0 | 105.6 | L193 | D191-L193 PolarHBondContact O-N 3.41Š| |||
| 192 | V | 38.5 | Very low | 40.2 | Very low | 144 Ų | 144 | 115.2 Ų | 115.2 | 87% | 0.873 | 64% | 0.638 | S | S | * | * | trans | -71 | 75.6 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | K194 | V192-K194 PolarHBondContact O-N 3.06Š| ||
| 193 | L | 37.2 | Very low | 40.4 | Very low | 132 Ų | 132 | 112.2 Ų | 112.2 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | trans | -68.7 | 101.3 | 172.1 | -77 | 160.9 | 0 | 0 | 0 | 106.4 | D191 A195 | D191-L193 PolarHBondContact O-N 3.41Å; L193-A195 PolarHBondContact O-N 3.2Å; L193-A195 VanDerWaalsContact O-N 3.17Å | ||
| 194 | K | 38.7 | Very low | 40.6 | Very low | 168 Ų | 168 | 114.9 Ų | 114.9 | 73% | 0.73 | 63% | 0.626 | S | S | * | * | trans | -3.9 | 104.8 | 155.9 | -152.2 | 177.1 | -171.2 | -178.9 | 0 | 111.7 | V192 V196 | V192-K194 PolarHBondContact O-N 3.06Å; K194-V196 WeakPolarHBondContact O-CG2 3.44Å; K194-V196 PolarHBondContact O-N 3.33Å | ||
| 195 | A | 42.3 | Very low | 41 | Very low | 49 Ų | 49 | 112 Ų | 112 | 41% | 0.405 | 61% | 0.613 | S | S | . | * | trans | -60.4 | 105.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L193 E200 V201 | L193-A195 PolarHBondContact O-N 3.2Å; L193-A195 VanDerWaalsContact O-N 3.17Å; A195-E200 VanDerWaalsContact CA-OE2 3.23Å; A195-E200 WeakPolarHBondContact CA-OE2 3.26Å; A195-E200 HydrophobicContact CB-CB 3.97Å; A195-E200 HydrophobicContact CB-CG 4.14Å; A195-V201 HydrophobicContact CB-CG2 4.1Å | ||
| 196 | V | 46.6 | Very low | 41.3 | Very low | 88 Ų | 88 | 109 Ų | 109 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | trans | -91.9 | -5.7 | -175.8 | -154.8 | 0 | 0 | 0 | 0 | 111 | F19 K194 E200 | F19-V196 HydrophobicContact CE1-CG1 3.71Å; F19-V196 HydrophobicContact CZ-CG1 3.64Å; K194-V196 WeakPolarHBondContact O-CG2 3.44Å; K194-V196 PolarHBondContact O-N 3.33Å; V196-E200 PolarHBondContact N-OE2 3.23Å | ||
| 197 | N | 39.2 | Very low | 41.6 | Very low | 112 Ų | 112 | 108.6 Ų | 108.6 | 60% | 0.599 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -148.5 | 149 | -172.1 | -119.2 | -21.3 | 0 | 0 | 0 | 112.1 | S199 E200 V201 | N197-S199 PolarHBondContact O-N 3.13Å; N197-S199 VanDerWaalsContact O-N 3.09Å; N197-E200 WeakPolarHBondContact O-CA 3.34Å; N197-E200 VanDerWaalsContact O-CB 3.25Å; N197-E200 WeakPolarHBondContact O-CB 3.22Å; N197-E200 PolarHBondContact O-N 3.48Å; N197-V201 PolarHBondContact O-N 2.62Å |
| 198 | A | 47.9 | Very low | 42 | Very low | 63 Ų | 63 | 102.5 Ų | 102.5 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.3 | -25.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E200 L202 | A198-E200 VanDerWaalsContact C-N 3.26Å; A198-E200 PolarHBondContact O-N 2.98Å; A198-L202 PolarHBondContact O-N 2.96Å |
| 199 | S | 47.2 | Very low | 42.3 | Very low | 69 Ų | 69 | 103.3 Ų | 103.3 | 48% | 0.483 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.4 | -27.5 | 172.3 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | N197 F203 | N197-S199 PolarHBondContact O-N 3.13Å; N197-S199 VanDerWaalsContact O-N 3.09Å; S199-F203 WeakPolarHBondContact O-CD2 3.37Å; S199-F203 PolarHBondContact O-N 3.38Å |
| 200 | E | 41.3 | Very low | 42.6 | Very low | 67 Ų | 67 | 103.2 Ų | 103.2 | 31% | 0.313 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -84.6 | -35.2 | -176.9 | -150.6 | 161.9 | -154.8 | 0 | 0 | 110.7 | A195 V196 N197 A198 L202 F203 H204 | A195-E200 VanDerWaalsContact CA-OE2 3.23Å; A195-E200 WeakPolarHBondContact CA-OE2 3.26Å; A195-E200 HydrophobicContact CB-CB 3.97Å; A195-E200 HydrophobicContact CB-CG 4.14Å; V196-E200 PolarHBondContact N-OE2 3.23Å; N197-E200 WeakPolarHBondContact O-CA 3.34Å; N197-E200 VanDerWaalsContact O-CB 3.25Å; N197-E200 WeakPolarHBondContact O-CB 3.22Å; N197-E200 PolarHBondContact O-N 3.48Å; A198-E200 VanDerWaalsContact C-N 3.26Å; A198-E200 PolarHBondContact O-N 2.98Å; E200-L202 VanDerWaalsContact C-N 3.31Å; E200-L202 PolarHBondContact O-N 3.27Å; E200-F203 WeakPolarHBondContact O-CB 3.38Å; E200-F203 PolarHBondContact O-N 2.99Å; E200-H204 PolarHBondContact O-CD2 2.98Å; E200-H204 VanDerWaalsContact O-CD2 3.29Å; E200-H204 PolarHBondContact O-N 3.49Å |
| 201 | V | 48.5 | Very low | 43.1 | Very low | 70 Ų | 70 | 105.4 Ų | 105.4 | 42% | 0.424 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -40.3 | 167.9 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | A195 N197 F203 H204 F205 | A195-V201 HydrophobicContact CB-CG2 4.1Å; N197-V201 PolarHBondContact O-N 2.62Å; V201-F203 VanDerWaalsContact C-N 3.3Å; V201-F203 PolarHBondContact O-N 3.47Å; V201-H204 PolarHBondContact O-N 3.17Å; V201-F205 HydrophobicContact CG1-CD2 4.17Å; V201-F205 HydrophobicContact CG1-CE2 4.03Å; V201-F205 WeakPolarHBondContact O-CD2 3.48Å; V201-F205 PolarHBondContact O-N 3.27Å |
| 202 | L | 50.5 | Low | 43.3 | Very low | 79 Ų | 79 | 106.4 Ų | 106.4 | 41% | 0.414 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.2 | -32.5 | 176.8 | -161.2 | 72.5 | 0 | 0 | 0 | 112.6 | A198 E200 H204 F205 A206 | A198-L202 PolarHBondContact O-N 2.96Å; E200-L202 VanDerWaalsContact C-N 3.31Å; E200-L202 PolarHBondContact O-N 3.27Å; L202-H204 VanDerWaalsContact C-N 3.3Å; L202-H204 PolarHBondContact O-N 2.67Å; L202-F205 PolarHBondContact O-N 2.89Å; L202-A206 VanDerWaalsContact O-CB 3.27Å; L202-A206 WeakPolarHBondContact O-CB 3.42Å; L202-A206 PolarHBondContact O-N 3.47Å |
| 203 | F | 44.4 | Very low | 43.1 | Very low | 130 Ų | 130 | 109.4 Ų | 109.4 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.5 | -33.2 | 174.5 | -108.1 | -89.6 | 0 | 0 | 0 | 112.7 | S199 E200 V201 Q207 | S199-F203 WeakPolarHBondContact O-CD2 3.37Å; S199-F203 PolarHBondContact O-N 3.38Å; E200-F203 WeakPolarHBondContact O-CB 3.38Å; E200-F203 PolarHBondContact O-N 2.99Å; V201-F203 VanDerWaalsContact C-N 3.3Å; V201-F203 PolarHBondContact O-N 3.47Å; F203-Q207 WeakPolarHBondContact O-CG 3.4Å; F203-Q207 PolarHBondContact O-N 3.44Å |
| 204 | H | 43.6 | Very low | 43.1 | Very low | 121 Ų | 121 | 110.2 Ų | 110.2 | 56% | 0.56 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73 | -30 | 175.5 | -76.3 | -69.3 | 0 | 0 | 0 | 113.4 | E200 V201 L202 | E200-H204 PolarHBondContact O-CD2 2.98Å; E200-H204 VanDerWaalsContact O-CD2 3.29Å; E200-H204 PolarHBondContact O-N 3.49Å; V201-H204 PolarHBondContact O-N 3.17Å; L202-H204 VanDerWaalsContact C-N 3.3Å; L202-H204 PolarHBondContact O-N 2.67Å |
| 205 | F | 46.8 | Very low | 42.8 | Very low | 132 Ų | 132 | 108.5 Ų | 108.5 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -86.2 | -30.6 | 176.6 | -78.1 | -80.6 | 0 | 0 | 0 | 113.4 | V201 L202 | V201-F205 HydrophobicContact CG1-CD2 4.17Å; V201-F205 HydrophobicContact CG1-CE2 4.03Å; V201-F205 WeakPolarHBondContact O-CD2 3.48Å; V201-F205 PolarHBondContact O-N 3.27Å; L202-F205 PolarHBondContact O-N 2.89Å |
| 206 | A | 46.2 | Very low | 42.3 | Very low | 59 Ų | 59 | 111.7 Ų | 111.7 | 49% | 0.488 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -81.2 | -11.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L202 L208 | L202-A206 VanDerWaalsContact O-CB 3.27Å; L202-A206 WeakPolarHBondContact O-CB 3.42Å; L202-A206 PolarHBondContact O-N 3.47Å; A206-L208 VanDerWaalsContact C-N 3.34Å |
| 207 | Q | 42 | Very low | 41.7 | Very low | 107 Ų | 107 | 113.7 Ų | 113.7 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | 5.7 | 174.5 | -74.8 | -175.8 | 1.8 | 0 | 0 | 113.7 | F203 | F203-Q207 WeakPolarHBondContact O-CG 3.4Å; F203-Q207 PolarHBondContact O-N 3.44Å |
| 208 | L | 42.2 | Very low | 41.5 | Very low | 94 Ų | 94 | 115.1 Ų | 115.1 | 49% | 0.492 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -60.4 | 125.1 | 166.9 | -78.7 | 162.4 | 0 | 0 | 0 | 108.3 | A206 T210 | A206-L208 VanDerWaalsContact C-N 3.34Å; L208-T210 PolarHBondContact O-N 3Å |
| 209 | P | 42.6 | Very low | 40.8 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | trans | -57.5 | 111.9 | -179.8 | 21.2 | -30.3 | 0 | 0 | 0 | 108.7 | I211 | P209-I211 PolarHBondContact O-N 3.32Š| ||
| 210 | T | 40.6 | Very low | 40.1 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 82% | 0.816 | 64% | 0.64 | S | S | * | * | trans | -58.7 | 104.9 | 165.9 | 6.2 | 0 | 0 | 0 | 0 | 106.3 | L208 E212 | L208-T210 PolarHBondContact O-N 3Å; T210-E212 PolarHBondContact O-N 3.25Å | ||
| 211 | I | 42.6 | Very low | 39.8 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 74% | 0.744 | 67% | 0.666 | S | S | * | * | trans | -67.7 | 87.1 | 170.4 | -56.6 | 172.8 | 0 | 0 | 0 | 105.6 | P209 K213 | P209-I211 PolarHBondContact O-N 3.32Å; I211-K213 PolarHBondContact O-N 3.34Å; I211-K213 VanDerWaalsContact O-N 3.12Å | ||
| 212 | E | 40 | Very low | 39.1 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | trans | -55.1 | 117.8 | 163.7 | -80.2 | -170.4 | 152.6 | 0 | 0 | 107.1 | T210 I214 | T210-E212 PolarHBondContact O-N 3.25Å; E212-I214 PolarHBondContact O-N 3.07Å | ||
| 213 | K | 34.7 | Very low | 38.6 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | trans | -59.7 | 89 | 167.8 | -91.8 | 179.6 | 169.1 | 178.3 | 0 | 108.5 | I211 N215 | I211-K213 PolarHBondContact O-N 3.34Å; I211-K213 VanDerWaalsContact O-N 3.12Å; K213-N215 VanDerWaalsContact C-N 3.3Å; K213-N215 PolarHBondContact O-N 3.19Å; K213-N215 VanDerWaalsContact O-N 3.1Å | ||
| 214 | I | 36.5 | Very low | 37.9 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -76.9 | 93.7 | 159.9 | -61 | 175.8 | 0 | 0 | 0 | 106 | E212 | E212-I214 PolarHBondContact O-N 3.07Š| ||
| 215 | N | 32.3 | Very low | 37.5 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | trans | -68.8 | 142.9 | 163.6 | -165.1 | 15 | 0 | 0 | 0 | 108.6 | K213 | K213-N215 VanDerWaalsContact C-N 3.3Å; K213-N215 PolarHBondContact O-N 3.19Å; K213-N215 VanDerWaalsContact O-N 3.1Å | ||
| 216 | N | 31.9 | Very low | 36.9 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 82.1 | 115.7 | 170.7 | -69.8 | -20.5 | 0 | 0 | 0 | 119.8 | ||
| 217 | N | 34.8 | Very low | 36.2 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | 72 | 109.4 | 134.5 | -70.5 | -14.8 | 0 | 0 | 0 | 117.9 | ||||
| 218 | N | 34.6 | Very low | 35.7 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 56.6 | 114 | 136.8 | -59.5 | -16.5 | 0 | 0 | 0 | 116.8 | ||||
| 219 | N | 33.9 | Very low | 35.5 | Very low | 148 Ų | 148 | 156.4 Ų | 156.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 83.9 | 116.1 | 157.6 | -59.6 | -32.2 | 0 | 0 | 0 | 117.6 | ||||
| 220 | K | 33 | Very low | 35.2 | Very low | 190 Ų | 190 | 158.7 Ų | 158.7 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 69.1 | 100.1 | 146.8 | -63.1 | 173.4 | 178 | 175.5 | 0 | 116.3 | ||||
| 221 | K | 35 | Very low | 34.9 | Very low | 197 Ų | 197 | 160 Ų | 160 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | 174.7 | 102.9 | 111.2 | -89 | 156.1 | -171.9 | -178.5 | 0 | 109.6 | L223 | K221-L223 PolarHBondContact O-N 3.24Š| |||
| 222 | S | 33.8 | Very low | 34.5 | Very low | 100 Ų | 100 | 160.8 Ų | 160.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 111.2 | 162.3 | 57.8 | 0 | 0 | 0 | 0 | 108.3 | H224 | S222-H224 PolarHBondContact O-N 3.42Š| ||
| 223 | L | 38.6 | Very low | 34.2 | Very low | 146 Ų | 146 | 160.8 Ų | 160.8 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -77.7 | 85.1 | 167.9 | -106.7 | 148.3 | 0 | 0 | 0 | 108.1 | K221 F225 | K221-L223 PolarHBondContact O-N 3.24Å; L223-F225 HydrophobicContact CD2-CD2 4.05Å; L223-F225 HydrophobicContact CD2-CE2 3.33Å; L223-F225 HydrophobicContact CD2-CZ 3.94Å | ||
| 224 | H | 30.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 158 Ų | 158 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | trans | -67.3 | 127 | 162.1 | -97.7 | -88.2 | 0 | 0 | 0 | 108.7 | S222 | S222-H224 PolarHBondContact O-N 3.42Š| ||
| 225 | F | 34.7 | Very low | 34 | Very low | 189 Ų | 189 | 158.5 Ų | 158.5 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -122.7 | 117.9 | 150.8 | -78.8 | -71.7 | 0 | 0 | 0 | 109 | L223 | L223-F225 HydrophobicContact CD2-CD2 4.05Å; L223-F225 HydrophobicContact CD2-CE2 3.33Å; L223-F225 HydrophobicContact CD2-CZ 3.94Å | ||
| 226 | I | 33.6 | Very low | 34.1 | Very low | 145 Ų | 145 | 160.4 Ų | 160.4 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -86.3 | 128.5 | -179 | -68.3 | 165.4 | 0 | 0 | 0 | 107.6 | ||||
| 227 | H | 31.7 | Very low | 34.3 | Very low | 164 Ų | 164 | 163.9 Ų | 163.9 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -71.8 | 140.5 | 168.4 | -157.9 | -90.2 | 0 | 0 | 0 | 109.5 | ||||
| 228 | R | 32.7 | Very low | 34.2 | Very low | 234 Ų | 234 | 166.7 Ų | 166.7 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -116.3 | 129.1 | 156.8 | -88.6 | -169.7 | 175.3 | 171.4 | -0.6 | 108.2 | ||||
| 229 | V | 38.4 | Very low | 34.2 | Very low | 203 Ų | 203 | 169 Ų | 169 | 100% | 1.23 | 82% | 0.822 | S | S | * | * | trans | -15.5 | 0 | 176.7 | -170.5 | 0 | 0 | 0 | 0 | 115.5 |
Retrieved 229 of 229 residues in 86.9 ms
(Link to these results)