| 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 | 35.8 | Very low | 41.8 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 100% | 1.177 | 73% | 0.731 | S | S | * | * | 0 | 109 | 0 | -68.7 | 178 | 175.4 | 0 | 0 | 107.7 | R3 | M1-R3 PolarHBondContact O-N 3.05Š| |||
| 2 | A | 36.7 | Very low | 42.3 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | -71 | 112.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S4 | A2-S4 PolarHBondContact O-N 2.82Š| ||
| 3 | R | 39.7 | Very low | 42.8 | Very low | 239 Ų | 239 | 125.8 Ų | 125.8 | 90% | 0.902 | 65% | 0.651 | S | S | * | * | trans | -74.4 | 112.3 | 174 | -69.5 | 175.9 | 81.5 | 150.8 | 0.5 | 107.8 | M1 L5 | M1-R3 PolarHBondContact O-N 3.05Å; R3-L5 PolarHBondContact O-N 2.97Å | ||
| 4 | S | 38.9 | Very low | 43.2 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 64% | 0.637 | S | S | * | * | trans | -49.4 | 118.7 | 171.5 | -166.3 | 0 | 0 | 0 | 0 | 109.9 | A2 V6 | A2-S4 PolarHBondContact O-N 2.82Å; S4-V6 PolarHBondContact O-N 2.88Å | ||
| 5 | L | 43.6 | Very low | 43 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | trans | -66.5 | 85.5 | 170.5 | -76.9 | 162.4 | 0 | 0 | 0 | 107.9 | R3 H7 | R3-L5 PolarHBondContact O-N 2.97Å; L5-H7 PolarHBondContact O-N 2.99Å | ||
| 6 | V | 44.2 | Very low | 43.2 | Very low | 124 Ų | 124 | 122 Ų | 122 | 75% | 0.752 | 64% | 0.638 | S | S | * | * | trans | -64.3 | 105.8 | 165.3 | -178.9 | 0 | 0 | 0 | 0 | 105.9 | S4 D8 | S4-V6 PolarHBondContact O-N 2.88Å; V6-D8 PolarHBondContact O-N 2.69Å | ||
| 7 | H | 38.3 | Very low | 43.2 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | trans | -42.5 | 103.8 | 176.6 | -66.8 | -93.7 | 0 | 0 | 0 | 111.1 | L5 T9 | L5-H7 PolarHBondContact O-N 2.99Å; H7-T9 PolarHBondContact O-N 3.38Å | ||
| 8 | D | 37.3 | Very low | 42.7 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 41% | 0.406 | 65% | 0.653 | S | S | . | * | trans | -73 | 97.1 | 176.4 | -163.4 | -43.3 | 0 | 0 | 0 | 108.6 | V6 K10 F11 Y12 | V6-D8 PolarHBondContact O-N 2.69Å; D8-K10 PolarHBondContact O-N 2.94Å; D8-K10 WeakPolarHBondContact OD1-CB 3.46Å; D8-K10 WeakPolarHBondContact OD1-CD 3.19Å; D8-K10 WeakPolarHBondContact OD1-CG 3.29Å; D8-K10 PolarHBondContact OD1-N 3.42Å; D8-F11 HydrophobicContact CB-CD2 4.25Å; D8-Y12 WeakPolarHBondContact O-CE2 3.36Å | ||
| 9 | T | 51.7 | Low | 42.3 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 50% | 0.497 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.6 | 0.9 | -177.5 | 44.3 | 0 | 0 | 0 | 0 | 114.4 | H7 Y12 | H7-T9 PolarHBondContact O-N 3.38Å; T9-Y12 HydrophobicContact CG2-CE2 4.34Å |
| 10 | K | 50.4 | Low | 42 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 62% | 0.617 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -20.5 | -178.7 | -57.5 | 171.7 | -175 | 170.9 | 0 | 113.3 | D8 | D8-K10 PolarHBondContact O-N 2.94Å; D8-K10 WeakPolarHBondContact OD1-CB 3.46Å; D8-K10 WeakPolarHBondContact OD1-CD 3.19Å; D8-K10 WeakPolarHBondContact OD1-CG 3.29Å; D8-K10 PolarHBondContact OD1-N 3.42Å |
| 11 | F | 43.1 | Very low | 41.8 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -85.1 | -19 | -175.1 | -78.3 | -87.6 | 0 | 0 | 0 | 115 | D8 C13 L14 | D8-F11 HydrophobicContact CB-CD2 4.25Å; F11-C13 PolarHBondContact O-N 3.18Å; F11-L14 PolarHBondContact O-N 2.93Å; F11-L14 VanDerWaalsContact O-N 3.13Å |
| 12 | Y | 47.9 | Very low | 41.6 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 29% | 0.286 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -72 | -4.9 | -171 | -59.7 | -74 | 0 | 0 | 0 | 115.4 | D8 T9 Q122 | D8-Y12 WeakPolarHBondContact O-CE2 3.36Å; T9-Y12 HydrophobicContact CG2-CE2 4.34Å; Y12-Q122 HydrophobicContact CD1-CG 4.03Å; Y12-Q122 HydrophobicContact CE1-CG 4.09Å |
| 13 | C | 48.9 | Very low | 41.5 | Very low | 19 Ų | 19 | 124.2 Ų | 124.2 | 13% | 0.128 | 63% | 0.634 | C | S | . | * | G | 310 helix | trans | -91.7 | -6.1 | 173.7 | -53.9 | 0 | 0 | 0 | 0 | 113.1 | F11 C157 Y160 Q161 | F11-C13 PolarHBondContact O-N 3.18Å; C13-C157 HydrophobicContact CB-CB 3.74Å; C13-C157 WeakPolarHBondContact CB-SG 3.34Å; C13-C157 WeakPolarHBondContact SG-CA 3.43Å; C13-C157 WeakPolarHBondContact SG-CB 3.39Å; C13-C157 CovalentContact SG-SG 2.06Å; C13-C157 PolarHBondContact SG-SG 2.9Å; C13-Y160 HydrophobicContact CB-CD1 4.34Å; C13-Q161 PolarHBondContact O-NE2 2.92Å |
| 14 | L | 48.4 | Very low | 41.7 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 46% | 0.461 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -105.7 | -11.3 | -171.2 | -69.5 | 174.5 | 0 | 0 | 0 | 115.5 | F11 L164 | F11-L14 PolarHBondContact O-N 2.93Å; F11-L14 VanDerWaalsContact O-N 3.13Å; L14-L164 HydrophobicContact CD1-CD1 4.08Å; L14-L164 HydrophobicContact CD2-CD1 3.86Å; L14-L164 HydrophobicContact CG-CD1 4.39Å |
| 15 | N | 40.8 | Very low | 41.9 | Very low | 135 Ų | 135 | 119.7 Ų | 119.7 | 72% | 0.722 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -112.7 | 15.9 | -167.1 | -70.2 | -19.7 | 0 | 0 | 0 | 116.9 | ||
| 16 | V | 46.3 | Very low | 42.1 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 56% | 0.564 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -131.9 | 50.5 | -177.8 | -161.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 17 | Y | 42.3 | Very low | 42.1 | Very low | 162 Ų | 162 | 123.5 Ų | 123.5 | 64% | 0.635 | 64% | 0.641 | S | S | * | * | trans | -149.6 | 65.3 | 156.9 | -66.2 | -73 | 0 | 0 | 0 | 111.6 | Q125 | Y17-Q125 PolarHBondContact OH-OE1 3.18Š| ||
| 18 | Q | 33.4 | Very low | 42.1 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 92% | 0.916 | 65% | 0.645 | S | S | * | * | trans | -141.2 | 71.4 | 146.2 | -92.3 | -148.1 | 45.4 | 0 | 0 | 108.9 | ||||
| 19 | V | 35.9 | Very low | 42 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | trans | -126.3 | 94.6 | 154.2 | -176.2 | 0 | 0 | 0 | 0 | 106 | I21 | V19-I21 VanDerWaalsContact C-N 3.3Å; V19-I21 HydrophobicContact CG1-CD1 4.18Å; V19-I21 HydrophobicContact CG1-CG1 3.57Å; V19-I21 PolarHBondContact O-N 3.22Å | ||
| 20 | K | 36.4 | Very low | 41.3 | Very low | 196 Ų | 196 | 122.4 Ų | 122.4 | 85% | 0.852 | 68% | 0.681 | S | S | * | * | trans | -74.5 | 84.8 | 171 | -161.9 | 178.3 | -170.2 | 179.3 | 0 | 106.8 | S22 | K20-S22 PolarHBondContact O-N 3.48Š| ||
| 21 | I | 38.5 | Very low | 40.5 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 70% | 0.703 | 69% | 0.69 | S | S | * | * | trans | -78.7 | 83.5 | 167 | -50.9 | -173.7 | 0 | 0 | 0 | 107 | V19 | V19-I21 VanDerWaalsContact C-N 3.3Å; V19-I21 HydrophobicContact CG1-CD1 4.18Å; V19-I21 HydrophobicContact CG1-CG1 3.57Å; V19-I21 PolarHBondContact O-N 3.22Å | ||
| 22 | S | 31 | Very low | 40.4 | Very low | 87 Ų | 87 | 124.2 Ų | 124.2 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | trans | -90.7 | 87.9 | 156.1 | 55.9 | 0 | 0 | 0 | 0 | 107.4 | K20 T24 | K20-S22 PolarHBondContact O-N 3.48Å; S22-T24 PolarHBondContact O-N 3.04Å | ||
| 23 | S | 35.4 | Very low | 40.3 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -85.3 | 94.2 | 160.3 | -65.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 24 | T | 42.9 | Very low | 39.9 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -110.1 | 119.8 | 162.1 | 44.5 | 0 | 0 | 0 | 0 | 107.4 | S22 | S22-T24 PolarHBondContact O-N 3.04Š| ||
| 25 | P | 43.9 | Very low | 39.2 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | trans | -70.9 | 137.9 | -177.7 | 28.6 | -32.3 | 0 | 0 | 0 | 111.2 | ||||
| 26 | E | 46.1 | Very low | 39.2 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -64.1 | 118.3 | 167.7 | -169.8 | -169 | -179.7 | 0 | 0 | 109.9 | ||||
| 27 | L | 45 | Very low | 39 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -141.9 | 109.7 | 154.8 | -85.8 | 176.6 | 0 | 0 | 0 | 108.2 | ||||
| 28 | G | 38.5 | Very low | 39.2 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -76.1 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 29 | A | 34.4 | Very low | 39.7 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 95.6 | 98 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 30 | A | 36.9 | Very low | 39.7 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | 97.1 | 122.5 | 110 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 31 | S | 35.4 | Very low | 39.9 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 85.8 | 99.3 | 138.3 | -150.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 32 | R | 40.2 | Very low | 40.4 | Very low | 195 Ų | 195 | 126.1 Ų | 126.1 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -4.7 | 130.4 | 133.4 | 179.2 | 172.7 | 177.1 | 138.7 | -3.4 | 117.6 | E34 | R32-E34 IonicContact CZ-OE1 3.62Å; R32-E34 IonicContact NE-OE1 3.93Å; R32-E34 IonicContact NH2-OE1 2.7Å; R32-E34 PolarHBondContact NH2-OE1 3.16Å | ||
| 33 | V | 44.9 | Very low | 40.8 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -145 | 144 | 135.4 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 34 | E | 40.9 | Very low | 41.4 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 67% | 0.668 | 82% | 0.815 | S | S | * | * | trans | -79.6 | 153.7 | -172.5 | -56.4 | -175.1 | 149.6 | 0 | 0 | 114.9 | R32 | R32-E34 IonicContact CZ-OE1 3.62Å; R32-E34 IonicContact NE-OE1 3.93Å; R32-E34 IonicContact NH2-OE1 2.7Å; R32-E34 PolarHBondContact NH2-OE1 3.16Å | ||
| 35 | G | 34.6 | Very low | 41.2 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 82% | 0.823 | S | S | * | * | 89 | 110.2 | 126.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 36 | H | 41 | Very low | 40.9 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -168.7 | 134 | 135 | 23.8 | -141.6 | 0 | 0 | 0 | 113.1 | ||||
| 37 | V | 41.8 | Very low | 40.8 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -79.2 | 144.5 | -178.2 | 161.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 38 | G | 45.2 | Very low | 41.1 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -162.5 | 104.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 39 | Q | 43.9 | Very low | 41.9 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -83.1 | 157.9 | -178.3 | -67 | 170 | 10.3 | 0 | 0 | 112.9 | ||||
| 40 | G | 36.9 | Very low | 42.9 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 118.1 | 126.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 41 | A | 39.8 | Very low | 43.4 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | cis | -159.1 | 157.5 | 2.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 42 | P | 50.6 | Low | 43.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -97.6 | 151.9 | -178.8 | 36.5 | -30.3 | 0 | 0 | 0 | 113.2 | ||||
| 43 | G | 37.9 | Very low | 43.4 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 109.1 | 111.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 44 | L | 48.5 | Very low | 43.8 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | -159.5 | 125.1 | 109.5 | -106.1 | 166 | 0 | 0 | 0 | 110.4 | |||||
| 45 | M | 38.5 | Very low | 44 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -56.7 | 157.7 | 173.9 | -80 | 179.4 | 166.4 | 0 | 0 | 113 | ||||
| 46 | G | 37.5 | Very low | 44.9 | Very low | 60 Ų | 60 | 133.4 Ų | 133.4 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | trans | 102.1 | 103.8 | 135.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 47 | N | 45.1 | Very low | 45.3 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | -172.2 | 91.8 | 109 | -79 | -25.2 | 0 | 0 | 0 | 108.5 | N49 | N47-N49 PolarHBondContact O-N 2.95Š| |||
| 48 | M | 51 | Low | 45.4 | Very low | 185 Ų | 185 | 133 Ų | 133 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -63.8 | 120.9 | 150.8 | -91.9 | 80.9 | -179 | 0 | 0 | 107 | ||||
| 49 | N | 55.1 | Low | 45.4 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | -120.6 | 117.2 | 145.7 | -159.2 | 33.7 | 0 | 0 | 0 | 107.7 | N47 | N47-N49 PolarHBondContact O-N 2.95Š| ||
| 50 | P | 54.7 | Low | 45.7 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -97.7 | 90.6 | -179 | 34.9 | -24.9 | 0 | 0 | 0 | 108.7 | ||||
| 51 | E | 47.1 | Very low | 46.5 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -165.4 | 100.3 | 167.8 | -112.8 | 163.7 | -165.2 | 0 | 0 | 110.1 | ||||
| 52 | G | 38.2 | Very low | 47.2 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -162.2 | 76.9 | 178 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 53 | G | 38.4 | Very low | 47 | Very low | 61 Ų | 61 | 149.3 Ų | 149.3 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | -47.6 | 137.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N55 | G53-N55 VanDerWaalsContact C-N 3.29Å; G53-N55 PolarHBondContact O-N 3.2Å | ||
| 54 | V | 52.4 | Low | 47.3 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | -49.4 | 92.6 | 157 | -88.9 | 0 | 0 | 0 | 0 | 109.8 | H56 | V54-H56 VanDerWaalsContact C-N 3.26Å; V54-H56 PolarHBondContact O-N 3.05Å | ||
| 55 | N | 46.1 | Very low | 47.3 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -90.1 | 75.5 | 160.2 | -69.6 | -37.3 | 0 | 0 | 0 | 107.6 | G53 E57 | G53-N55 VanDerWaalsContact C-N 3.29Å; G53-N55 PolarHBondContact O-N 3.2Å; N55-E57 PolarHBondContact O-N 3.41Å; N55-E57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | H | 53.3 | Low | 47.7 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -75.3 | 76.9 | 162.5 | 178.2 | 83.1 | 0 | 0 | 0 | 108.6 | V54 | V54-H56 VanDerWaalsContact C-N 3.26Å; V54-H56 PolarHBondContact O-N 3.05Å | ||
| 57 | E | 48.6 | Very low | 48.5 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -151 | 80.1 | 167.8 | -68.6 | -163.5 | 162.2 | 0 | 0 | 110.6 | N55 | N55-E57 PolarHBondContact O-N 3.41Å; N55-E57 VanDerWaalsContact O-N 3.13Å | ||
| 58 | N | 43.8 | Very low | 48.4 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -158.3 | 55.5 | 151.2 | -137 | -18 | 0 | 0 | 0 | 114.5 | ||||
| 59 | Y | 45.8 | Very low | 47.9 | Very low | 211 Ų | 211 | 151.9 Ų | 151.9 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -130.4 | 75 | 164.9 | -148.4 | -86.3 | 0 | 0 | 0 | 110.6 | ||||
| 60 | M | 50.5 | Low | 47.2 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 72% | 0.724 | 82% | 0.817 | S | S | * | * | trans | -166.1 | 70.7 | 145.7 | -81.2 | -40.3 | 164.1 | 0 | 0 | 110.6 | ||||
| 61 | N | 52.6 | Low | 46.3 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -97.9 | 72.9 | 155.1 | -87 | -17.4 | 0 | 0 | 0 | 109.1 | ||||
| 62 | R | 55 | Low | 45.7 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -104.1 | 122.1 | 160.9 | -169.2 | -177.5 | -76.2 | -166.9 | -0.6 | 105.6 | ||||
| 63 | Y | 45.9 | Very low | 45.6 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | 87.1 | 83.2 | -176.9 | -50.9 | -70.7 | 0 | 0 | 0 | 115.9 | ||||
| 64 | G | 46.3 | Very low | 45.3 | Very low | 90 Ų | 90 | 147.6 Ų | 147.6 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | trans | -69.8 | 125.3 | 151 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 65 | G | 47 | Very low | 44.6 | Very low | 74 Ų | 74 | 149.3 Ų | 149.3 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | 158.3 | 51.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 66 | M | 47.7 | Very low | 44.4 | Very low | 188 Ų | 188 | 150 Ų | 150 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -133.5 | 114.7 | 155.8 | -72.1 | -154.7 | -162.4 | 0 | 0 | 109.7 | ||||
| 67 | I | 53.2 | Low | 44 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 86% | 0.862 | 82% | 0.82 | S | S | * | * | trans | -52 | 132 | 167.4 | 40 | 175.3 | 0 | 0 | 0 | 111.1 | ||||
| 68 | H | 43.6 | Very low | 43.4 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -78.3 | 123.2 | 157.4 | -81.8 | 118.7 | 0 | 0 | 0 | 108 | ||||
| 69 | E | 40.7 | Very low | 43 | Very low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -132.4 | 124.9 | 142.5 | -85.3 | -142.6 | 106.3 | 0 | 0 | 108.5 | ||||
| 70 | G | 39.4 | Very low | 42.6 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -73.9 | 124.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 71 | G | 35.9 | Very low | 42 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -101.7 | 101.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 72 | G | 36.3 | Very low | 41.3 | Very low | 79 Ų | 79 | 148.6 Ų | 148.6 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -66.3 | 147.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 73 | G | 34.3 | Very low | 40.9 | Very low | 69 Ų | 69 | 145 Ų | 145 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | -73.9 | 172.8 | -162.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 74 | N | 33.9 | Very low | 40.5 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 91% | 0.914 | 83% | 0.826 | S | S | * | * | trans | -166.6 | 136.4 | 136.8 | -103.2 | -70.2 | 0 | 0 | 0 | 109.4 | ||||
| 75 | Q | 37.9 | Very low | 40.3 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -74.9 | 142.6 | 166.6 | -59.3 | 161.4 | 21.3 | 0 | 0 | 106.4 | ||||
| 76 | E | 41.6 | Very low | 39.9 | Very low | 174 Ų | 174 | 153.1 Ų | 153.1 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | 175.1 | -171.3 | 71.9 | -137.9 | -163.9 | 74.1 | 0 | 0 | 108.3 | |||||
| 77 | P | 43.9 | Very low | 40.1 | Very low | 96 Ų | 96 | 149.7 Ų | 149.7 | 62% | 0.623 | 82% | 0.819 | S | S | * | * | -121.4 | 167.8 | -127.5 | 36.7 | -14.1 | 0 | 0 | 0 | 117.4 | |||||
| 78 | R | 35.9 | Very low | 39.4 | Very low | 226 Ų | 226 | 145.8 Ų | 145.8 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 33.3 | 112.4 | 143.7 | -71.8 | -89.8 | 174.2 | 173.3 | -4.2 | 119.7 | ||||
| 79 | Q | 35.4 | Very low | 39.4 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | 166.9 | 127.1 | 107.8 | -92.8 | 169.5 | 73.5 | 0 | 0 | 115.2 | |||||
| 80 | L | 36.9 | Very low | 39.4 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 72% | 0.723 | 81% | 0.809 | S | S | * | * | trans | 58.9 | 131.4 | 141.2 | -71.1 | 160.5 | 0 | 0 | 0 | 124.1 | ||||
| 81 | Q | 38.1 | Very low | 40.1 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | 88.6 | 110 | 149.5 | -119.4 | 82.5 | 35.8 | 0 | 0 | 120.5 | ||||
| 82 | Q | 39.3 | Very low | 40.7 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -72.2 | 172.4 | 152.1 | -66.3 | -177.9 | 14.8 | 0 | 0 | 110.2 | ||||
| 83 | P | 45.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 153.1 Ų | 153.1 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | cis | -132.8 | 159.4 | 8.9 | 36.8 | -18 | 0 | 0 | 0 | 114.5 | ||||
| 84 | L | 37.6 | Very low | 42.4 | Very low | 178 Ų | 178 | 155.4 Ų | 155.4 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -125.8 | 133.5 | 170.1 | -99.1 | 144.5 | 0 | 0 | 0 | 111 | ||||
| 85 | E | 42.7 | Very low | 43.3 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -69 | 145.4 | -169.9 | -58.2 | 167.4 | 147.8 | 0 | 0 | 112.3 | ||||
| 86 | E | 38.4 | Very low | 44.3 | Very low | 182 Ų | 182 | 151.1 Ų | 151.1 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -60.8 | 159.7 | 159.1 | -103.3 | -167.2 | 102.3 | 0 | 0 | 110.2 | ||||
| 87 | P | 51.3 | Low | 45.2 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -151.4 | -169.7 | 40.9 | 35.8 | -11.1 | 0 | 0 | 0 | 116 | ||||
| 88 | A | 38.6 | Very low | 45.9 | Very low | 85 Ų | 85 | 152.6 Ų | 152.6 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | 110.9 | 90.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 89 | Q | 44.7 | Very low | 47.1 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | 33.6 | 111.4 | 125.6 | -57.8 | 179.8 | -2.5 | 0 | 0 | 119.1 | |||||
| 90 | A | 40.8 | Very low | 48.4 | Very low | 97 Ų | 97 | 149 Ų | 149 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -144.8 | 122.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 91 | A | 53.2 | Low | 49.7 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -64.9 | 131.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 92 | M | 49.2 | Very low | 51 | Low | 186 Ų | 186 | 147.2 Ų | 147.2 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -137.1 | 135 | 162.7 | -73.3 | -168.8 | 73.3 | 0 | 0 | 110 | ||||
| 93 | E | 52.8 | Low | 52.6 | Low | 191 Ų | 191 | 149.2 Ų | 149.2 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -50.7 | 147.3 | -175.9 | -74.8 | 163.8 | 108.6 | 0 | 0 | 114.6 | ||||
| 94 | D | 52 | Low | 54 | Low | 117 Ų | 117 | 151.2 Ų | 151.2 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | trans | -53.5 | 139.7 | 166.1 | 169.9 | 86.9 | 0 | 0 | 0 | 112.9 | Q96 | D94-Q96 VanDerWaalsContact CG-N 3.35Å; D94-Q96 WeakPolarHBondContact OD2-CG 3.29Å; D94-Q96 PolarHBondContact OD2-N 2.91Å | ||
| 95 | P | 52.7 | Low | 55.8 | Low | 115 Ų | 115 | 154 Ų | 154 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -113.2 | 96.6 | 146.9 | 31.8 | -20.4 | 0 | 0 | 0 | 109.4 | P97 | P95-P97 VanDerWaalsContact O-CD 3.29Å; P95-P97 WeakPolarHBondContact O-CD 3.37Å | ||
| 96 | Q | 60.7 | Low | 57.6 | Low | 145 Ų | 145 | 155 Ų | 155 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -48.1 | 120.2 | 159.8 | -79.8 | -84.8 | -68.9 | 0 | 0 | 109.8 | D94 E98 | D94-Q96 VanDerWaalsContact CG-N 3.35Å; D94-Q96 WeakPolarHBondContact OD2-CG 3.29Å; D94-Q96 PolarHBondContact OD2-N 2.91Å; Q96-E98 PolarHBondContact O-N 3Å | ||
| 97 | P | 59.2 | Low | 59.7 | Low | 120 Ų | 120 | 156.2 Ų | 156.2 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -74 | 100.1 | 164.6 | 28.1 | -29.7 | 0 | 0 | 0 | 108.9 | P95 | P95-P97 VanDerWaalsContact O-CD 3.29Å; P95-P97 WeakPolarHBondContact O-CD 3.37Å | ||
| 98 | E | 60 | Low | 61.6 | Low | 182 Ų | 182 | 160.2 Ų | 160.2 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -52.1 | 136.8 | 165.6 | -70 | -178.6 | 142.2 | 0 | 0 | 111.3 | Q96 | Q96-E98 PolarHBondContact O-N 3Š| ||
| 99 | N | 59.8 | Low | 64.1 | Low | 135 Ų | 135 | 158.7 Ų | 158.7 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 70.6 | 46.2 | 152.8 | -154.2 | 14.4 | 0 | 0 | 0 | 118.6 | Q101 | N99-Q101 VanDerWaalsContact C-N 3.29Å; N99-Q101 PolarHBondContact O-N 3.09Å | ||
| 100 | M | 62.1 | Low | 66.5 | Low | 185 Ų | 185 | 152.4 Ų | 152.4 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | -75 | 85.8 | 160.2 | -146.2 | 173.6 | -165.5 | 0 | 0 | 109.1 | P102 | M100-P102 VanDerWaalsContact O-N 3.12Š| ||
| 101 | Q | 65.8 | Low | 69 | Low | 156 Ų | 156 | 153.3 Ų | 153.3 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | trans | -48.3 | 122.9 | 175.8 | -75.4 | -166.7 | -0 | 0 | 0 | 109.5 | N99 R103 | N99-Q101 VanDerWaalsContact C-N 3.29Å; N99-Q101 PolarHBondContact O-N 3.09Å; Q101-R103 PolarHBondContact O-N 2.9Å | ||
| 102 | P | 64.8 | Low | 71 | Confident | 119 Ų | 119 | 153.7 Ų | 153.7 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -61.7 | 115.7 | -175.6 | 19.8 | -29 | 0 | 0 | 0 | 109.2 | M100 I104 | M100-P102 VanDerWaalsContact O-N 3.12Å; P102-I104 PolarHBondContact O-N 3.35Å | ||
| 103 | R | 73.1 | Confident | 73.2 | Confident | 221 Ų | 221 | 146.7 Ų | 146.7 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | -52 | 105.3 | 177.3 | -177.4 | 178.1 | 172.4 | 112.7 | -9.2 | 109 | Q101 R105 | Q101-R103 PolarHBondContact O-N 2.9Å; R103-R105 PolarHBondContact O-N 2.84Å | ||
| 104 | I | 74.9 | Confident | 75.3 | Confident | 155 Ų | 155 | 140.2 Ų | 140.2 | 80% | 0.795 | 69% | 0.686 | S | S | * | * | trans | -52.9 | 112.9 | -178.6 | -62.6 | 171.7 | 0 | 0 | 0 | 108.3 | P102 R106 | P102-I104 PolarHBondContact O-N 3.35Å; I104-R106 PolarHBondContact O-N 2.75Å | ||
| 105 | R | 75.3 | Confident | 77.3 | Confident | 235 Ų | 235 | 140.7 Ų | 140.7 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | trans | -63.4 | 112.2 | 177.9 | -68.6 | -173.1 | -179.9 | -167.2 | 1.2 | 107.9 | R103 K107 | R103-R105 PolarHBondContact O-N 2.84Å; R105-K107 PolarHBondContact O-N 3.24Å; R105-K107 VanDerWaalsContact O-N 3.16Å | ||
| 106 | R | 79.3 | Confident | 79.4 | Confident | 208 Ų | 208 | 139.2 Ų | 139.2 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -63.9 | 115.2 | 177.3 | -69.7 | -178.3 | 175.4 | 118.7 | -0.2 | 109 | I104 | I104-R106 PolarHBondContact O-N 2.75Š| ||
| 107 | K | 83.8 | Confident | 81.1 | Confident | 208 Ų | 208 | 132.3 Ų | 132.3 | 90% | 0.904 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 132.4 | 169.4 | -68.8 | -175.8 | 178.3 | 179.6 | 0 | 109.4 | R105 | R105-K107 PolarHBondContact O-N 3.24Å; R105-K107 VanDerWaalsContact O-N 3.16Å |
| 108 | K | 90.4 | Very high | 82.8 | Confident | 199 Ų | 199 | 127.3 Ų | 127.3 | 87% | 0.865 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 151 | 172.3 | -64.8 | -177.7 | -179.7 | 178.2 | 0 | 109 | ||
| 109 | F | 92.4 | Very high | 84.5 | Confident | 53 Ų | 53 | 121.3 Ų | 121.3 | 23% | 0.232 | 58% | 0.58 | C | S | . | * | P | Polyproline II helix | trans | -63.8 | 143.1 | 169 | -67.4 | -75.7 | 0 | 0 | 0 | 110.3 | Q113 V114 L117 V141 K145 W149 | F109-Q113 HydrophobicContact CB-CB 4.23Å; F109-Q113 HydrophobicContact CD1-CB 4.18Å; F109-V114 HydrophobicContact CB-CG2 3.76Å; F109-L117 HydrophobicContact CD1-CD1 4.17Å; F109-L117 HydrophobicContact CE1-CD1 4.13Å; F109-L117 HydrophobicContact CG-CD1 4.37Å; F109-L117 HydrophobicContact CZ-CD1 4.31Å; F109-V141 HydrophobicContact CD1-CG1 4.35Å; F109-V141 HydrophobicContact CE1-CB 4.35Å; F109-V141 HydrophobicContact CE1-CG1 3.9Å; F109-V141 HydrophobicContact CE1-CG2 4.16Å; F109-K145 HydrophobicContact CE1-CB 4.45Å; F109-K145 HydrophobicContact CZ-CB 3.86Å; F109-W149 AromaticContact CD2-CD1 3.62Å; F109-W149 HydrophobicContact CE2-CB 3.92Å; F109-W149 AromaticContact CE2-CD1 3.54Å; F109-W149 HydrophobicContact CE2-CG 4.05Å; F109-W149 HydrophobicContact CZ-CB 4.26Å |
| 110 | T | 94.6 | Very high | 86.1 | Confident | 69 Ų | 69 | 116 Ų | 116 | 42% | 0.423 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 160.7 | 172.1 | 69.4 | 0 | 0 | 0 | 0 | 110.4 | L112 Q113 V114 | T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 3.31Å; T110-Q113 PolarHBondContact O-N 3.44Å; T110-Q113 VanDerWaalsContact O-N 3.14Å; T110-Q113 VanDerWaalsContact OG1-CG 3.28Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.46Å; T110-Q113 PolarHBondContact OG1-N 3.36Å; T110-Q113 PolarHBondContact OG1-OE1 2.97Å; T110-V114 WeakPolarHBondContact O-CG2 3.4Å; T110-V114 PolarHBondContact O-N 2.88Å |
| 111 | P | 93.3 | Very high | 87.6 | Confident | 116 Ų | 116 | 107.4 Ų | 107.4 | 75% | 0.753 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56 | -41.2 | 177.7 | -26.5 | 35.7 | 0 | 0 | 0 | 113.2 | Q113 V114 Q115 | P111-Q113 PolarHBondContact O-N 3.09Å; P111-V114 PolarHBondContact O-N 3.3Å; P111-Q115 PolarHBondContact O-N 3.28Å |
| 112 | L | 94.5 | Very high | 88.8 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62 | -44 | 176.9 | -176.2 | 65.1 | 0 | 0 | 0 | 111.6 | T110 V114 Q115 E116 | T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 3.31Å; L112-V114 VanDerWaalsContact C-N 3.29Å; L112-V114 PolarHBondContact O-N 3.03Å; L112-Q115 WeakPolarHBondContact O-CB 3.29Å; L112-Q115 PolarHBondContact O-N 2.99Å; L112-E116 PolarHBondContact O-N 3.47Å |
| 113 | Q | 95.4 | Very high | 90.1 | Very high | 38 Ų | 38 | 109.2 Ų | 109.2 | 18% | 0.178 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 176.5 | -70.1 | 170.6 | -29 | 0 | 0 | 112 | F109 T110 P111 Q115 L117 L139 | F109-Q113 HydrophobicContact CB-CB 4.23Å; F109-Q113 HydrophobicContact CD1-CB 4.18Å; T110-Q113 PolarHBondContact O-N 3.44Å; T110-Q113 VanDerWaalsContact O-N 3.14Å; T110-Q113 VanDerWaalsContact OG1-CG 3.28Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.46Å; T110-Q113 PolarHBondContact OG1-N 3.36Å; T110-Q113 PolarHBondContact OG1-OE1 2.97Å; P111-Q113 PolarHBondContact O-N 3.09Å; Q113-Q115 VanDerWaalsContact C-N 3.34Å; Q113-L117 WeakPolarHBondContact O-CD1 3.46Å; Q113-L117 VanDerWaalsContact O-CG 3.22Å; Q113-L117 WeakPolarHBondContact O-CG 3.4Å; Q113-L117 PolarHBondContact O-N 3.48Å; Q113-L117 VanDerWaalsContact O-N 3.13Å; Q113-L139 HydrophobicContact CB-CD2 4.22Å; Q113-L139 HydrophobicContact CG-CB 4.34Å; Q113-L139 HydrophobicContact CG-CD2 4.06Å; Q113-L139 PolarHBondContact NE2-O 2.88Å |
| 114 | V | 96.4 | Very high | 91 | Very high | 55 Ų | 55 | 101.2 Ų | 101.2 | 33% | 0.333 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.1 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | F109 T110 P111 L112 L117 E118 W149 | F109-V114 HydrophobicContact CB-CG2 3.76Å; T110-V114 WeakPolarHBondContact O-CG2 3.4Å; T110-V114 PolarHBondContact O-N 2.88Å; P111-V114 PolarHBondContact O-N 3.3Å; L112-V114 VanDerWaalsContact C-N 3.29Å; L112-V114 PolarHBondContact O-N 3.03Å; V114-L117 PolarHBondContact O-N 2.93Å; V114-E118 WeakPolarHBondContact O-CB 3.37Å; V114-E118 PolarHBondContact O-N 3Å; V114-W149 HydrophobicContact CG1-CZ2 4.4Å |
| 115 | Q | 95.4 | Very high | 91.9 | Very high | 127 Ų | 127 | 95.3 Ų | 95.3 | 59% | 0.593 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61 | -46.4 | 178.1 | -178.5 | -178.4 | -31 | 0 | 0 | 111.8 | P111 L112 Q113 E118 S119 | P111-Q115 PolarHBondContact O-N 3.28Å; L112-Q115 WeakPolarHBondContact O-CB 3.29Å; L112-Q115 PolarHBondContact O-N 2.99Å; Q113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-E118 PolarHBondContact O-N 2.85Å; Q115-S119 PolarHBondContact O-N 2.87Å |
| 116 | E | 95.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 91 Ų | 91 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 176.6 | -68.3 | -55.9 | 135.4 | 0 | 0 | 112.1 | L112 E118 S119 V120 L139 | L112-E116 PolarHBondContact O-N 3.47Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 3.31Å; E116-S119 WeakPolarHBondContact O-CB 3.39Å; E116-S119 PolarHBondContact O-N 3.45Å; E116-V120 PolarHBondContact O-N 3.46Å; E116-L139 HydrophobicContact CB-CD2 3.79Å; E116-L139 HydrophobicContact CG-CD2 4.01Å |
| 117 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | 175.8 | -70.8 | 166.8 | 0 | 0 | 0 | 111.8 | F109 Q113 V114 F121 L139 V146 W149 F150 | F109-L117 HydrophobicContact CD1-CD1 4.17Å; F109-L117 HydrophobicContact CE1-CD1 4.13Å; F109-L117 HydrophobicContact CG-CD1 4.37Å; F109-L117 HydrophobicContact CZ-CD1 4.31Å; Q113-L117 WeakPolarHBondContact O-CD1 3.46Å; Q113-L117 VanDerWaalsContact O-CG 3.22Å; Q113-L117 WeakPolarHBondContact O-CG 3.4Å; Q113-L117 PolarHBondContact O-N 3.48Å; Q113-L117 VanDerWaalsContact O-N 3.13Å; V114-L117 PolarHBondContact O-N 2.93Å; L117-F121 WeakPolarHBondContact O-CB 3.1Å; L117-F121 PolarHBondContact O-N 3.36Å; L117-L139 HydrophobicContact CD1-CD1 4.2Å; L117-L139 HydrophobicContact CD2-CD1 3.72Å; L117-L139 HydrophobicContact CG-CD1 3.66Å; L117-V146 HydrophobicContact CD2-CG1 3.94Å; L117-V146 HydrophobicContact CD2-CG2 4.43Å; L117-W149 HydrophobicContact CB-CD2 4.03Å; L117-W149 HydrophobicContact CB-CE3 3.91Å; L117-W149 HydrophobicContact CB-CH2 3.64Å; L117-W149 HydrophobicContact CB-CZ2 3.73Å; L117-W149 HydrophobicContact CB-CZ3 3.73Å; L117-W149 HydrophobicContact CD1-CD2 3.83Å; L117-W149 HydrophobicContact CD1-CE3 4.38Å; L117-W149 HydrophobicContact CD1-CG 3.87Å; L117-W149 HydrophobicContact CD2-CE3 4.35Å; L117-W149 HydrophobicContact CG-CD2 4.36Å; L117-W149 HydrophobicContact CG-CE3 4.45Å; L117-F150 HydrophobicContact CD2-CE2 3.86Å |
| 118 | E | 96 | Very high | 94.1 | Very high | 14 Ų | 14 | 76.5 Ų | 76.5 | 7% | 0.065 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 177.1 | -165.2 | 66.5 | -163 | 0 | 0 | 112.1 | V114 Q115 E116 V120 F121 Q122 W149 K153 | V114-E118 WeakPolarHBondContact O-CB 3.37Å; V114-E118 PolarHBondContact O-N 3Å; Q115-E118 PolarHBondContact O-N 2.85Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 3.31Å; E118-V120 VanDerWaalsContact C-N 3.29Å; E118-V120 PolarHBondContact O-N 3.32Å; E118-F121 WeakPolarHBondContact O-CA 3.24Å; E118-F121 WeakPolarHBondContact O-CB 3.31Å; E118-F121 PolarHBondContact O-N 3.44Å; E118-Q122 WeakPolarHBondContact O-CG 3.47Å; E118-Q122 PolarHBondContact O-N 3.09Å; E118-W149 WeakPolarHBondContact OE2-CH2 3.3Å; E118-K153 VanDerWaalsContact OE1-CE 3.3Å; E118-K153 WeakPolarHBondContact OE1-CE 3.44Å; E118-K153 IonicContact OE1-NZ 2.74Å; E118-K153 PolarHBondContact OE1-NZ 3.48Å; E118-K153 WeakPolarHBondContact OE2-CE 3.41Å; E118-K153 IonicContact OE2-NZ 2.62Å; E118-K153 PolarHBondContact OE2-NZ 3.02Å |
| 119 | S | 94.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 69.9 Ų | 69.9 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.6 | -45.4 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | Q115 E116 Q122 | Q115-S119 PolarHBondContact O-N 2.87Å; E116-S119 WeakPolarHBondContact O-CB 3.39Å; E116-S119 PolarHBondContact O-N 3.45Å; S119-Q122 PolarHBondContact O-N 2.96Å |
| 120 | V | 94.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 70.4 Ų | 70.4 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 112 | E116 E118 Q122 R123 T124 T131 L135 F150 | E116-V120 PolarHBondContact O-N 3.46Å; E118-V120 VanDerWaalsContact C-N 3.29Å; E118-V120 PolarHBondContact O-N 3.32Å; V120-Q122 PolarHBondContact O-N 3.02Å; V120-R123 WeakPolarHBondContact O-CA 3.37Å; V120-R123 WeakPolarHBondContact O-CB 3.33Å; V120-R123 PolarHBondContact O-N 3.36Å; V120-T124 HydrophobicContact CG1-CG2 4.07Å; V120-T124 PolarHBondContact O-N 3.33Å; V120-T131 HydrophobicContact CG1-CG2 4.38Å; V120-L135 HydrophobicContact CB-CD1 4.14Å; V120-L135 HydrophobicContact CG1-CD1 4.05Å; V120-L135 HydrophobicContact CG2-CD1 4.03Å; V120-L135 HydrophobicContact CG2-CD2 3.75Å; V120-L135 HydrophobicContact CG2-CG 4.34Å; V120-F150 HydrophobicContact CB-CZ 4.24Å; V120-F150 HydrophobicContact CG1-CZ 4.1Å |
| 121 | F | 93.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.3 | -34.3 | 177.4 | -169.6 | -96.5 | 0 | 0 | 0 | 113.1 | L117 E118 R123 T124 Q125 W149 F150 K153 R154 | L117-F121 WeakPolarHBondContact O-CB 3.1Å; L117-F121 PolarHBondContact O-N 3.36Å; E118-F121 WeakPolarHBondContact O-CA 3.24Å; E118-F121 WeakPolarHBondContact O-CB 3.31Å; E118-F121 PolarHBondContact O-N 3.44Å; F121-R123 VanDerWaalsContact C-N 3.29Å; F121-R123 PolarHBondContact O-N 2.97Å; F121-T124 WeakPolarHBondContact CA-O 3.4Å; F121-T124 CarbonylContact O-C 3.47Å; F121-Q125 HydrophobicContact CD1-CG 4.44Å; F121-Q125 HydrophobicContact CD2-CB 4.38Å; F121-Q125 HydrophobicContact CD2-CG 4.39Å; F121-Q125 HydrophobicContact CE1-CG 3.95Å; F121-Q125 HydrophobicContact CE2-CB 3.84Å; F121-Q125 HydrophobicContact CE2-CG 3.89Å; F121-Q125 HydrophobicContact CZ-CB 4.06Å; F121-Q125 HydrophobicContact CZ-CG 3.65Å; F121-Q125 VanDerWaalsContact CZ-NE2 3.3Å; F121-W149 HydrophobicContact CB-CH2 4.38Å; F121-W149 HydrophobicContact CB-CZ3 4.27Å; F121-W149 HydrophobicContact CD2-CZ3 4.31Å; F121-F150 HydrophobicContact CB-CE1 4.04Å; F121-F150 AromaticContact CD2-CD1 3.7Å; F121-F150 HydrophobicContact CD2-CD1 3.7Å; F121-F150 AromaticContact CD2-CE1 3.76Å; F121-F150 HydrophobicContact CD2-CE1 3.76Å; F121-F150 HydrophobicContact CE2-CD1 4.37Å; F121-F150 HydrophobicContact CG-CE1 4.41Å; F121-K153 HydrophobicContact CD1-CG 4.16Å; F121-K153 HydrophobicContact CD2-CB 4.44Å; F121-K153 HydrophobicContact CD2-CG 3.8Å; F121-K153 HydrophobicContact CE1-CG 3.91Å; F121-K153 HydrophobicContact CE2-CB 4.1Å; F121-K153 HydrophobicContact CE2-CG 3.54Å; F121-K153 HydrophobicContact CG-CG 4.11Å; F121-K153 HydrophobicContact CZ-CB 4.49Å; F121-K153 HydrophobicContact CZ-CG 3.6Å; F121-R154 HydrophobicContact CE2-CG 3.8Å; F121-R154 HydrophobicContact CZ-CG 4.13Å |
| 122 | Q | 90.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 65.8 Ų | 65.8 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -33.2 | 174 | -68.9 | 172.4 | 21.3 | 0 | 0 | 112.3 | Y12 E118 S119 V120 | Y12-Q122 HydrophobicContact CD1-CG 4.03Å; Y12-Q122 HydrophobicContact CE1-CG 4.09Å; E118-Q122 WeakPolarHBondContact O-CG 3.47Å; E118-Q122 PolarHBondContact O-N 3.09Å; S119-Q122 PolarHBondContact O-N 2.96Å; V120-Q122 PolarHBondContact O-N 3.02Å |
| 123 | R | 92.3 | Very high | 95.1 | Very high | 216 Ų | 216 | 66.8 Ų | 66.8 | 82% | 0.815 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -81.6 | -43.8 | 177.8 | -62 | 174.1 | 64.3 | 175.8 | 0 | 111.9 | V120 F121 | V120-R123 WeakPolarHBondContact O-CA 3.37Å; V120-R123 WeakPolarHBondContact O-CB 3.33Å; V120-R123 PolarHBondContact O-N 3.36Å; F121-R123 VanDerWaalsContact C-N 3.29Å; F121-R123 PolarHBondContact O-N 2.97Å |
| 124 | T | 91.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 70.5 Ų | 70.5 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | trans | -150.4 | 125.5 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | V120 F121 Y126 P127 | V120-T124 HydrophobicContact CG1-CG2 4.07Å; V120-T124 PolarHBondContact O-N 3.33Å; F121-T124 WeakPolarHBondContact CA-O 3.4Å; F121-T124 CarbonylContact O-C 3.47Å; T124-Y126 PolarHBondContact O-N 2.84Å; T124-Y126 PolarHBondContact OG1-N 3.13Å; T124-Y126 PolarHBondContact OG1-O 3.15Å; T124-P127 HydrophobicContact CG2-CB 4.19Å | ||
| 125 | Q | 93.7 | Very high | 95.2 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -76.8 | -13.1 | 174.4 | -59.1 | -170.1 | -44.7 | 0 | 0 | 112.8 | Y17 F121 R154 | Y17-Q125 PolarHBondContact OH-OE1 3.18Å; F121-Q125 HydrophobicContact CD1-CG 4.44Å; F121-Q125 HydrophobicContact CD2-CB 4.38Å; F121-Q125 HydrophobicContact CD2-CG 4.39Å; F121-Q125 HydrophobicContact CE1-CG 3.95Å; F121-Q125 HydrophobicContact CE2-CB 3.84Å; F121-Q125 HydrophobicContact CE2-CG 3.89Å; F121-Q125 HydrophobicContact CZ-CB 4.06Å; F121-Q125 HydrophobicContact CZ-CG 3.65Å; F121-Q125 VanDerWaalsContact CZ-NE2 3.3Å; Q125-R154 HydrophobicContact CB-CG 4.47Å; Q125-R154 WeakPolarHBondContact O-CD 3.43Å; Q125-R154 PolarHBondContact O-NH1 2.92Å |
| 126 | Y | 95.1 | Very high | 95.3 | Very high | 145 Ų | 145 | 62.8 Ų | 62.8 | 57% | 0.569 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -129.9 | 71.5 | -177.1 | -62.5 | -89.7 | 0 | 0 | 0 | 109.9 | T124 R154 | T124-Y126 PolarHBondContact O-N 2.84Å; T124-Y126 PolarHBondContact OG1-N 3.13Å; T124-Y126 PolarHBondContact OG1-O 3.15Å; Y126-R154 VanDerWaalsContact CE1-CZ 3.41Å |
| 127 | P | 94.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | trans | -66.9 | 139.2 | 178.2 | 28.8 | -36.4 | 0 | 0 | 0 | 110.9 | T124 T131 R132 F150 | T124-P127 HydrophobicContact CG2-CB 4.19Å; P127-T131 HydrophobicContact CB-CG2 4.03Å; P127-R132 HydrophobicContact CB-CG 3.97Å; P127-R132 HydrophobicContact CG-CG 3.78Å; P127-R132 PolarHBondContact O-NH1 2.81Å; P127-F150 HydrophobicContact CG-CD1 3.62Å; P127-F150 HydrophobicContact CG-CD2 3.93Å; P127-F150 HydrophobicContact CG-CE1 3.58Å; P127-F150 HydrophobicContact CG-CE2 3.9Å; P127-F150 HydrophobicContact CG-CG 3.82Å; P127-F150 HydrophobicContact CG-CZ 3.75Å | ||
| 128 | D | 96.2 | Very high | 95.4 | Very high | 103 Ų | 103 | 71.4 Ų | 71.4 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | trans | -74.4 | 166.1 | 177.8 | -167.7 | 21.6 | 0 | 0 | 0 | 112.2 | P130 T131 R132 | D128-P130 VanDerWaalsContact C-CD 3.5Å; D128-P130 HydrophobicContact CB-CG 4.39Å; D128-P130 VanDerWaalsContact OD2-CD 3.29Å; D128-P130 WeakPolarHBondContact OD2-CD 3.44Å; D128-T131 PolarHBondContact O-N 3.21Å; D128-R132 WeakPolarHBondContact O-CG 3.22Å; D128-R132 PolarHBondContact O-N 3Å | ||
| 129 | V | 96.4 | Very high | 95.4 | Very high | 61 Ų | 61 | 71.7 Ų | 71.7 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -47.9 | -49.3 | 178.9 | -176.4 | 0 | 0 | 0 | 0 | 113.7 | R132 R133 | V129-R132 PolarHBondContact O-N 3.22Å; V129-R133 PolarHBondContact O-N 3.14Å |
| 130 | P | 97.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 72.3 Ų | 72.3 | 41% | 0.409 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 178.4 | 24.4 | -33.3 | 0 | 0 | 0 | 112 | D128 R132 R133 E134 | D128-P130 VanDerWaalsContact C-CD 3.5Å; D128-P130 HydrophobicContact CB-CG 4.39Å; D128-P130 VanDerWaalsContact OD2-CD 3.29Å; D128-P130 WeakPolarHBondContact OD2-CD 3.44Å; P130-R132 VanDerWaalsContact C-N 3.3Å; P130-R132 PolarHBondContact O-N 3.5Å; P130-R133 WeakPolarHBondContact O-CB 3.4Å; P130-R133 PolarHBondContact O-N 3.3Å; P130-R133 VanDerWaalsContact O-N 3.09Å; P130-E134 PolarHBondContact O-N 3.31Å |
| 131 | T | 95.3 | Very high | 95.5 | Very high | 49 Ų | 49 | 73 Ų | 73 | 30% | 0.301 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 177.6 | -50.3 | 0 | 0 | 0 | 0 | 112 | V120 P127 D128 R133 L135 | V120-T131 HydrophobicContact CG1-CG2 4.38Å; P127-T131 HydrophobicContact CB-CG2 4.03Å; D128-T131 PolarHBondContact O-N 3.21Å; T131-R133 VanDerWaalsContact C-N 3.34Å; T131-L135 WeakPolarHBondContact O-CG 3.28Å; T131-L135 PolarHBondContact O-N 2.78Å; T131-L135 VanDerWaalsContact O-N 3.09Å |
| 132 | R | 97.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 76.8 Ų | 76.8 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.5 | -33.1 | 176 | -66 | -167.3 | -52.5 | -91.6 | 0.9 | 112.7 | P127 D128 V129 P130 A136 E143 V146 | P127-R132 HydrophobicContact CB-CG 3.97Å; P127-R132 HydrophobicContact CG-CG 3.78Å; P127-R132 PolarHBondContact O-NH1 2.81Å; D128-R132 WeakPolarHBondContact O-CG 3.22Å; D128-R132 PolarHBondContact O-N 3Å; V129-R132 PolarHBondContact O-N 3.22Å; P130-R132 VanDerWaalsContact C-N 3.3Å; P130-R132 PolarHBondContact O-N 3.5Å; R132-A136 VanDerWaalsContact O-CB 3.29Å; R132-A136 WeakPolarHBondContact O-CB 3.42Å; R132-A136 PolarHBondContact O-N 2.98Å; R132-E143 HydrophobicContact CB-CG 3.85Å; R132-E143 IonicContact CZ-OE1 2.69Å; R132-E143 IonicContact NE-OE1 2.84Å; R132-E143 PolarHBondContact NE-OE1 3.28Å; R132-E143 IonicContact NH2-OE1 3.78Å; R132-E143 PolarHBondContact NH2-OE1 3.43Å; R132-V146 HydrophobicContact CB-CG1 4.22Å; R132-V146 HydrophobicContact CG-CG1 4.19Å |
| 133 | R | 98.1 | Very high | 96 | Very high | 134 Ų | 134 | 74.1 Ų | 74.1 | 51% | 0.506 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.1 | -48 | 175 | -81.3 | -174.2 | -80.6 | 151.3 | -8.9 | 111.4 | V129 P130 T131 L135 A136 E137 E143 | V129-R133 PolarHBondContact O-N 3.14Å; P130-R133 WeakPolarHBondContact O-CB 3.4Å; P130-R133 PolarHBondContact O-N 3.3Å; P130-R133 VanDerWaalsContact O-N 3.09Å; T131-R133 VanDerWaalsContact C-N 3.34Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.04Å; R133-A136 WeakPolarHBondContact O-CB 3.48Å; R133-A136 PolarHBondContact O-N 2.97Å; R133-E137 WeakPolarHBondContact O-CG 3.47Å; R133-E137 PolarHBondContact O-N 3.37Å; R133-E143 HydrophobicContact CG-CB 4.38Å; R133-E143 HydrophobicContact CG-CG 4.12Å |
| 134 | E | 97.8 | Very high | 96.2 | Very high | 117 Ų | 117 | 67.3 Ų | 67.3 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 175.9 | -173.6 | -172.6 | 166.8 | 0 | 0 | 111.6 | P130 A136 E137 N138 | P130-E134 PolarHBondContact O-N 3.31Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 3.28Å; E134-E137 PolarHBondContact O-N 3.18Å; E134-N138 WeakPolarHBondContact O-CB 3.48Å; E134-N138 VanDerWaalsContact O-CG 3.23Å; E134-N138 PolarHBondContact O-N 3.39Å; E134-N138 PolarHBondContact O-ND2 3.07Å |
| 135 | L | 97.2 | Very high | 96.4 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.2 | -76.9 | 169.9 | 0 | 0 | 0 | 112.9 | V120 T131 R133 E137 L139 V146 F150 | V120-L135 HydrophobicContact CB-CD1 4.14Å; V120-L135 HydrophobicContact CG1-CD1 4.05Å; V120-L135 HydrophobicContact CG2-CD1 4.03Å; V120-L135 HydrophobicContact CG2-CD2 3.75Å; V120-L135 HydrophobicContact CG2-CG 4.34Å; T131-L135 WeakPolarHBondContact O-CG 3.28Å; T131-L135 PolarHBondContact O-N 2.78Å; T131-L135 VanDerWaalsContact O-N 3.09Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.04Å; L135-E137 VanDerWaalsContact C-N 3.34Å; L135-L139 VanDerWaalsContact O-CB 3.24Å; L135-L139 WeakPolarHBondContact O-CB 3.42Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.47Å; L135-V146 HydrophobicContact CB-CG1 4.29Å; L135-V146 HydrophobicContact CB-CG2 4.47Å; L135-V146 HydrophobicContact CD1-CG1 4.23Å; L135-F150 HydrophobicContact CD1-CE2 4.15Å; L135-F150 HydrophobicContact CD1-CZ 4.32Å |
| 136 | A | 97.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 68.1 Ų | 68.1 | 5% | 0.05 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R132 R133 E134 L139 G140 V141 E143 V146 | R132-A136 VanDerWaalsContact O-CB 3.29Å; R132-A136 WeakPolarHBondContact O-CB 3.42Å; R132-A136 PolarHBondContact O-N 2.98Å; R133-A136 WeakPolarHBondContact O-CB 3.48Å; R133-A136 PolarHBondContact O-N 2.97Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 3.28Å; A136-L139 PolarHBondContact O-N 3.28Å; A136-G140 PolarHBondContact O-N 2.9Å; A136-V141 CarbonylContact C-O 3.48Å; A136-V141 HydrophobicContact CB-CG2 4.43Å; A136-V141 WeakPolarHBondContact CB-O 3.42Å; A136-V141 PolarHBondContact O-N 3.38Å; A136-V141 VanDerWaalsContact O-O 3.08Å; A136-E143 HydrophobicContact CB-CB 4.31Å; A136-V146 HydrophobicContact CB-CG2 4.01Å |
| 137 | E | 97.7 | Very high | 96.7 | Very high | 149 Ų | 149 | 66.5 Ų | 66.5 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.4 | -52 | 175.2 | -70.8 | 172.3 | -173.2 | 0 | 0 | 111.3 | R133 E134 L135 L139 G140 | R133-E137 WeakPolarHBondContact O-CG 3.47Å; R133-E137 PolarHBondContact O-N 3.37Å; E134-E137 PolarHBondContact O-N 3.18Å; L135-E137 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.47Å; E137-G140 PolarHBondContact O-N 3.26Å |
| 138 | N | 96.3 | Very high | 96.8 | Very high | 118 Ų | 118 | 68.5 Ų | 68.5 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.3 | -33.4 | -179.8 | -69.5 | -12 | 0 | 0 | 0 | 113 | E134 | E134-N138 WeakPolarHBondContact O-CB 3.48Å; E134-N138 VanDerWaalsContact O-CG 3.23Å; E134-N138 PolarHBondContact O-N 3.39Å; E134-N138 PolarHBondContact O-ND2 3.07Å |
| 139 | L | 95.9 | Very high | 96.8 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -94.5 | -5.7 | -177 | -59.6 | 177.5 | 0 | 0 | 0 | 113.6 | Q113 E116 L117 L135 A136 E137 V141 | Q113-L139 HydrophobicContact CB-CD2 4.22Å; Q113-L139 HydrophobicContact CG-CB 4.34Å; Q113-L139 HydrophobicContact CG-CD2 4.06Å; Q113-L139 PolarHBondContact NE2-O 2.88Å; E116-L139 HydrophobicContact CB-CD2 3.79Å; E116-L139 HydrophobicContact CG-CD2 4.01Å; L117-L139 HydrophobicContact CD1-CD1 4.2Å; L117-L139 HydrophobicContact CD2-CD1 3.72Å; L117-L139 HydrophobicContact CG-CD1 3.66Å; L135-L139 VanDerWaalsContact O-CB 3.24Å; L135-L139 WeakPolarHBondContact O-CB 3.42Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.47Å; A136-L139 PolarHBondContact O-N 3.28Å; E137-L139 PolarHBondContact O-N 3.47Å; L139-V141 HydrophobicContact CB-CG2 4.02Å |
| 140 | G | 96 | Very high | 96.9 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 72% | 0.722 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 36.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A136 E137 | A136-G140 PolarHBondContact O-N 2.9Å; E137-G140 PolarHBondContact O-N 3.26Å |
| 141 | V | 95.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 65.2 Ų | 65.2 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -126.8 | 174.5 | 179.9 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | F109 A136 L139 K145 V146 | F109-V141 HydrophobicContact CD1-CG1 4.35Å; F109-V141 HydrophobicContact CE1-CB 4.35Å; F109-V141 HydrophobicContact CE1-CG1 3.9Å; F109-V141 HydrophobicContact CE1-CG2 4.16Å; A136-V141 CarbonylContact C-O 3.48Å; A136-V141 HydrophobicContact CB-CG2 4.43Å; A136-V141 WeakPolarHBondContact CB-O 3.42Å; A136-V141 PolarHBondContact O-N 3.38Å; A136-V141 VanDerWaalsContact O-O 3.08Å; L139-V141 HydrophobicContact CB-CG2 4.02Å; V141-K145 HydrophobicContact CB-CB 4.39Å; V141-V146 HydrophobicContact CG2-CG2 3.79Å |
| 142 | T | 96.7 | Very high | 96.8 | Very high | 83 Ų | 83 | 67.5 Ų | 67.5 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | trans | -85.6 | 150.8 | 174.9 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | D144 K145 V146 | T142-D144 PolarHBondContact O-N 2.95Å; T142-K145 WeakPolarHBondContact O-CB 3.38Å; T142-K145 PolarHBondContact O-N 3.2Å; T142-K145 WeakPolarHBondContact OG1-CG 3.43Å; T142-K145 PolarHBondContact OG1-N 3.2Å; T142-V146 PolarHBondContact O-N 3.47Å | ||
| 143 | E | 97.5 | Very high | 96.6 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.4 | -34.4 | 175.9 | -178.6 | -96 | 147.7 | 0 | 0 | 112.1 | R132 R133 A136 K145 V146 R147 | R132-E143 HydrophobicContact CB-CG 3.85Å; R132-E143 IonicContact CZ-OE1 2.69Å; R132-E143 IonicContact NE-OE1 2.84Å; R132-E143 PolarHBondContact NE-OE1 3.28Å; R132-E143 IonicContact NH2-OE1 3.78Å; R132-E143 PolarHBondContact NH2-OE1 3.43Å; R133-E143 HydrophobicContact CG-CB 4.38Å; R133-E143 HydrophobicContact CG-CG 4.12Å; A136-E143 HydrophobicContact CB-CB 4.31Å; E143-K145 PolarHBondContact O-N 3.4Å; E143-V146 PolarHBondContact O-N 3.48Å; E143-R147 WeakPolarHBondContact O-CB 3.36Å; E143-R147 PolarHBondContact O-N 2.74Å; E143-R147 IonicContact OE1-CZ 3.71Å; E143-R147 IonicContact OE1-NE 3.24Å; E143-R147 PolarHBondContact OE1-NE 2.99Å; E143-R147 IonicContact OE1-NH2 3.31Å; E143-R147 PolarHBondContact OE1-NH2 3.46Å; E143-R147 IonicContact OE2-CZ 3.33Å; E143-R147 IonicContact OE2-NE 3.42Å; E143-R147 IonicContact OE2-NH2 2.9Å; E143-R147 PolarHBondContact OE2-NH2 3.47Å |
| 144 | D | 96.9 | Very high | 96.5 | Very high | 73 Ų | 73 | 64 Ų | 64 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 174.2 | -174.3 | -102.1 | 0 | 0 | 0 | 112.8 | T142 V146 R147 V148 | T142-D144 PolarHBondContact O-N 2.95Å; D144-V146 VanDerWaalsContact C-N 3.34Å; D144-V146 PolarHBondContact O-N 2.94Å; D144-R147 WeakPolarHBondContact O-CB 3.47Å; D144-R147 PolarHBondContact O-N 3.44Å; D144-R147 IonicContact OD2-CZ 3.94Å; D144-R147 IonicContact OD2-NH1 3.7Å; D144-R147 PolarHBondContact OD2-NH1 3.06Å; D144-V148 WeakPolarHBondContact O-CB 3.49Å; D144-V148 VanDerWaalsContact O-CG2 3.31Å; D144-V148 WeakPolarHBondContact O-CG2 3.2Å; D144-V148 PolarHBondContact O-N 3.39Å |
| 145 | K | 95.9 | Very high | 96.2 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 176.1 | -67.5 | -64.3 | 179.7 | -163.9 | 0 | 111.6 | F109 V141 T142 E143 W149 | F109-K145 HydrophobicContact CE1-CB 4.45Å; F109-K145 HydrophobicContact CZ-CB 3.86Å; V141-K145 HydrophobicContact CB-CB 4.39Å; T142-K145 WeakPolarHBondContact O-CB 3.38Å; T142-K145 PolarHBondContact O-N 3.2Å; T142-K145 WeakPolarHBondContact OG1-CG 3.43Å; T142-K145 PolarHBondContact OG1-N 3.2Å; E143-K145 PolarHBondContact O-N 3.4Å; K145-W149 WeakPolarHBondContact O-CB 3.46Å; K145-W149 PolarHBondContact O-N 2.96Å |
| 146 | V | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | L117 R132 L135 A136 V141 T142 E143 D144 V148 W149 F150 | L117-V146 HydrophobicContact CD2-CG1 3.94Å; L117-V146 HydrophobicContact CD2-CG2 4.43Å; R132-V146 HydrophobicContact CB-CG1 4.22Å; R132-V146 HydrophobicContact CG-CG1 4.19Å; L135-V146 HydrophobicContact CB-CG1 4.29Å; L135-V146 HydrophobicContact CB-CG2 4.47Å; L135-V146 HydrophobicContact CD1-CG1 4.23Å; A136-V146 HydrophobicContact CB-CG2 4.01Å; V141-V146 HydrophobicContact CG2-CG2 3.79Å; T142-V146 PolarHBondContact O-N 3.47Å; E143-V146 PolarHBondContact O-N 3.48Å; D144-V146 VanDerWaalsContact C-N 3.34Å; D144-V146 PolarHBondContact O-N 2.94Å; V146-V148 PolarHBondContact O-N 2.06Å; V146-W149 WeakPolarHBondContact O-CB 3.44Å; V146-W149 PolarHBondContact O-N 2.62Å; V146-W149 VanDerWaalsContact O-N 3.09Å; V146-F150 HydrophobicContact CG1-CD2 3.74Å; V146-F150 HydrophobicContact CG1-CE2 3.68Å; V146-F150 WeakPolarHBondContact O-CD2 3.48Å; V146-F150 PolarHBondContact O-N 3.01Å |
| 147 | R | 97.1 | Very high | 95.4 | Very high | 111 Ų | 111 | 69 Ų | 69 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53.7 | -48.7 | 177.8 | -169.3 | -163.5 | -51.5 | 168.8 | -2.2 | 112.6 | E143 D144 F150 K151 | E143-R147 WeakPolarHBondContact O-CB 3.36Å; E143-R147 PolarHBondContact O-N 2.74Å; E143-R147 IonicContact OE1-CZ 3.71Å; E143-R147 IonicContact OE1-NE 3.24Å; E143-R147 PolarHBondContact OE1-NE 2.99Å; E143-R147 IonicContact OE1-NH2 3.31Å; E143-R147 PolarHBondContact OE1-NH2 3.46Å; E143-R147 IonicContact OE2-CZ 3.33Å; E143-R147 IonicContact OE2-NE 3.42Å; E143-R147 IonicContact OE2-NH2 2.9Å; E143-R147 PolarHBondContact OE2-NH2 3.47Å; D144-R147 WeakPolarHBondContact O-CB 3.47Å; D144-R147 PolarHBondContact O-N 3.44Å; D144-R147 IonicContact OD2-CZ 3.94Å; D144-R147 IonicContact OD2-NH1 3.7Å; D144-R147 PolarHBondContact OD2-NH1 3.06Å; R147-F150 PolarHBondContact O-N 3.22Å; R147-K151 PolarHBondContact O-N 3.24Å |
| 148 | V | 96.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.4 | D144 V146 K151 N152 | D144-V148 WeakPolarHBondContact O-CB 3.49Å; D144-V148 VanDerWaalsContact O-CG2 3.31Å; D144-V148 WeakPolarHBondContact O-CG2 3.2Å; D144-V148 PolarHBondContact O-N 3.39Å; V146-V148 PolarHBondContact O-N 2.06Å; V148-K151 PolarHBondContact O-N 3.44Å; V148-N152 WeakPolarHBondContact O-CB 3.39Å; V148-N152 PolarHBondContact O-N 3.46Å |
| 149 | W | 96.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 70 Ų | 70 | 13% | 0.129 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 175.8 | -174.3 | 97.5 | 0 | 0 | 0 | 111.4 | F109 V114 L117 E118 F121 K145 V146 K151 N152 K153 | F109-W149 AromaticContact CD2-CD1 3.62Å; F109-W149 HydrophobicContact CE2-CB 3.92Å; F109-W149 AromaticContact CE2-CD1 3.54Å; F109-W149 HydrophobicContact CE2-CG 4.05Å; F109-W149 HydrophobicContact CZ-CB 4.26Å; V114-W149 HydrophobicContact CG1-CZ2 4.4Å; L117-W149 HydrophobicContact CB-CD2 4.03Å; L117-W149 HydrophobicContact CB-CE3 3.91Å; L117-W149 HydrophobicContact CB-CH2 3.64Å; L117-W149 HydrophobicContact CB-CZ2 3.73Å; L117-W149 HydrophobicContact CB-CZ3 3.73Å; L117-W149 HydrophobicContact CD1-CD2 3.83Å; L117-W149 HydrophobicContact CD1-CE3 4.38Å; L117-W149 HydrophobicContact CD1-CG 3.87Å; L117-W149 HydrophobicContact CD2-CE3 4.35Å; L117-W149 HydrophobicContact CG-CD2 4.36Å; L117-W149 HydrophobicContact CG-CE3 4.45Å; E118-W149 WeakPolarHBondContact OE2-CH2 3.3Å; F121-W149 HydrophobicContact CB-CH2 4.38Å; F121-W149 HydrophobicContact CB-CZ3 4.27Å; F121-W149 HydrophobicContact CD2-CZ3 4.31Å; K145-W149 WeakPolarHBondContact O-CB 3.46Å; K145-W149 PolarHBondContact O-N 2.96Å; V146-W149 WeakPolarHBondContact O-CB 3.44Å; V146-W149 PolarHBondContact O-N 2.62Å; V146-W149 VanDerWaalsContact O-N 3.09Å; W149-K151 VanDerWaalsContact C-N 3.31Å; W149-K151 PolarHBondContact O-N 3.06Å; W149-N152 PolarHBondContact O-N 2.95Å; W149-N152 VanDerWaalsContact O-N 3.15Å; W149-K153 HydrophobicContact CE3-CB 4.32Å; W149-K153 HydrophobicContact CH2-CB 4.35Å; W149-K153 HydrophobicContact CH2-CD 4.12Å; W149-K153 HydrophobicContact CH2-CG 4.08Å; W149-K153 HydrophobicContact CZ2-CD 4.34Å; W149-K153 HydrophobicContact CZ3-CB 4.14Å; W149-K153 HydrophobicContact CZ3-CG 4.19Å; W149-K153 WeakPolarHBondContact O-CB 3.18Å; W149-K153 PolarHBondContact O-N 3.31Å |
| 150 | F | 97.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 177.7 | -86.1 | -91.8 | 0 | 0 | 0 | 111.7 | L117 V120 F121 P127 L135 V146 R147 K153 R154 | L117-F150 HydrophobicContact CD2-CE2 3.86Å; V120-F150 HydrophobicContact CB-CZ 4.24Å; V120-F150 HydrophobicContact CG1-CZ 4.1Å; F121-F150 HydrophobicContact CB-CE1 4.04Å; F121-F150 AromaticContact CD2-CD1 3.7Å; F121-F150 HydrophobicContact CD2-CD1 3.7Å; F121-F150 AromaticContact CD2-CE1 3.76Å; F121-F150 HydrophobicContact CD2-CE1 3.76Å; F121-F150 HydrophobicContact CE2-CD1 4.37Å; F121-F150 HydrophobicContact CG-CE1 4.41Å; P127-F150 HydrophobicContact CG-CD1 3.62Å; P127-F150 HydrophobicContact CG-CD2 3.93Å; P127-F150 HydrophobicContact CG-CE1 3.58Å; P127-F150 HydrophobicContact CG-CE2 3.9Å; P127-F150 HydrophobicContact CG-CG 3.82Å; P127-F150 HydrophobicContact CG-CZ 3.75Å; L135-F150 HydrophobicContact CD1-CE2 4.15Å; L135-F150 HydrophobicContact CD1-CZ 4.32Å; V146-F150 HydrophobicContact CG1-CD2 3.74Å; V146-F150 HydrophobicContact CG1-CE2 3.68Å; V146-F150 WeakPolarHBondContact O-CD2 3.48Å; V146-F150 PolarHBondContact O-N 3.01Å; R147-F150 PolarHBondContact O-N 3.22Å; F150-K153 PolarHBondContact O-N 2.94Å; F150-R154 WeakPolarHBondContact O-CG 3.09Å; F150-R154 PolarHBondContact O-N 3.44Å |
| 151 | K | 95.5 | Very high | 92.8 | Very high | 123 Ų | 123 | 72.2 Ų | 72.2 | 54% | 0.535 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 173.9 | -173.3 | 178.6 | 69.9 | 177.6 | 0 | 111.8 | R147 V148 W149 R154 A155 | R147-K151 PolarHBondContact O-N 3.24Å; V148-K151 PolarHBondContact O-N 3.44Å; W149-K151 VanDerWaalsContact C-N 3.31Å; W149-K151 PolarHBondContact O-N 3.06Å; K151-R154 PolarHBondContact O-N 2.78Å; K151-A155 WeakPolarHBondContact O-CB 3.41Å; K151-A155 PolarHBondContact O-N 3.13Å |
| 152 | N | 95.8 | Very high | 91.8 | Very high | 96 Ų | 96 | 77.8 Ų | 77.8 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | -179 | -73.6 | -11.8 | 0 | 0 | 0 | 112.1 | V148 W149 A155 R156 | V148-N152 WeakPolarHBondContact O-CB 3.39Å; V148-N152 PolarHBondContact O-N 3.46Å; W149-N152 PolarHBondContact O-N 2.95Å; W149-N152 VanDerWaalsContact O-N 3.15Å; N152-A155 PolarHBondContact O-N 3.06Å; N152-R156 PolarHBondContact O-N 3.06Å |
| 153 | K | 94.6 | Very high | 90.8 | Very high | 38 Ų | 38 | 79.6 Ų | 79.6 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 175.8 | -177.1 | 72 | -176 | -160.2 | 0 | 111.1 | E118 F121 W149 F150 A155 R156 C157 | E118-K153 VanDerWaalsContact OE1-CE 3.3Å; E118-K153 WeakPolarHBondContact OE1-CE 3.44Å; E118-K153 IonicContact OE1-NZ 2.74Å; E118-K153 PolarHBondContact OE1-NZ 3.48Å; E118-K153 WeakPolarHBondContact OE2-CE 3.41Å; E118-K153 IonicContact OE2-NZ 2.62Å; E118-K153 PolarHBondContact OE2-NZ 3.02Å; F121-K153 HydrophobicContact CD1-CG 4.16Å; F121-K153 HydrophobicContact CD2-CB 4.44Å; F121-K153 HydrophobicContact CD2-CG 3.8Å; F121-K153 HydrophobicContact CE1-CG 3.91Å; F121-K153 HydrophobicContact CE2-CB 4.1Å; F121-K153 HydrophobicContact CE2-CG 3.54Å; F121-K153 HydrophobicContact CG-CG 4.11Å; F121-K153 HydrophobicContact CZ-CB 4.49Å; F121-K153 HydrophobicContact CZ-CG 3.6Å; W149-K153 HydrophobicContact CE3-CB 4.32Å; W149-K153 HydrophobicContact CH2-CB 4.35Å; W149-K153 HydrophobicContact CH2-CD 4.12Å; W149-K153 HydrophobicContact CH2-CG 4.08Å; W149-K153 HydrophobicContact CZ2-CD 4.34Å; W149-K153 HydrophobicContact CZ3-CB 4.14Å; W149-K153 HydrophobicContact CZ3-CG 4.19Å; W149-K153 WeakPolarHBondContact O-CB 3.18Å; W149-K153 PolarHBondContact O-N 3.31Å; F150-K153 PolarHBondContact O-N 2.94Å; K153-A155 PolarHBondContact O-N 3.01Å; K153-R156 PolarHBondContact O-N 3.44Å; K153-C157 PolarHBondContact O-N 3.4Å |
| 154 | R | 95.4 | Very high | 89.9 | Confident | 61 Ų | 61 | 79.9 Ų | 79.9 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.2 | -68 | -165 | -56 | -88.6 | 1.8 | 112.8 | F121 Q125 Y126 F150 K151 R156 C157 K158 | F121-R154 HydrophobicContact CE2-CG 3.8Å; F121-R154 HydrophobicContact CZ-CG 4.13Å; Q125-R154 HydrophobicContact CB-CG 4.47Å; Q125-R154 WeakPolarHBondContact O-CD 3.43Å; Q125-R154 PolarHBondContact O-NH1 2.92Å; Y126-R154 VanDerWaalsContact CE1-CZ 3.41Å; F150-R154 WeakPolarHBondContact O-CG 3.09Å; F150-R154 PolarHBondContact O-N 3.44Å; K151-R154 PolarHBondContact O-N 2.78Å; R154-R156 VanDerWaalsContact C-N 3.3Å; R154-R156 PolarHBondContact O-N 3.16Å; R154-C157 PolarHBondContact O-N 2.88Å; R154-K158 WeakPolarHBondContact O-CB 3.39Å; R154-K158 PolarHBondContact O-N 3.29Å |
| 155 | A | 92.2 | Very high | 88.8 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K151 N152 K153 K158 R159 | K151-A155 WeakPolarHBondContact O-CB 3.41Å; K151-A155 PolarHBondContact O-N 3.13Å; N152-A155 PolarHBondContact O-N 3.06Å; K153-A155 PolarHBondContact O-N 3.01Å; A155-K158 PolarHBondContact O-N 3.29Å; A155-R159 WeakPolarHBondContact O-CG 3.49Å; A155-R159 PolarHBondContact O-N 3.02Å |
| 156 | R | 89.6 | Confident | 87.7 | Confident | 193 Ų | 193 | 82.4 Ų | 82.4 | 73% | 0.728 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 174.8 | -171.3 | 178.9 | 179.9 | -172.2 | -0.9 | 111.9 | N152 K153 R154 K158 R159 Y160 | N152-R156 PolarHBondContact O-N 3.06Å; K153-R156 PolarHBondContact O-N 3.44Å; R154-R156 VanDerWaalsContact C-N 3.3Å; R154-R156 PolarHBondContact O-N 3.16Å; R156-K158 VanDerWaalsContact C-N 3.3Å; R156-K158 PolarHBondContact O-N 3.06Å; R156-R159 PolarHBondContact O-N 2.95Å; R156-Y160 WeakPolarHBondContact O-CB 3.39Å; R156-Y160 PolarHBondContact O-N 3.16Å |
| 157 | C | 87.6 | Confident | 86.4 | Confident | 6 Ų | 6 | 84.5 Ų | 84.5 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 175.9 | -84.4 | 0 | 0 | 0 | 0 | 111.9 | C13 K153 R154 R159 Y160 Q161 | C13-C157 HydrophobicContact CB-CB 3.74Å; C13-C157 WeakPolarHBondContact CB-SG 3.34Å; C13-C157 WeakPolarHBondContact SG-CA 3.43Å; C13-C157 WeakPolarHBondContact SG-CB 3.39Å; C13-C157 CovalentContact SG-SG 2.06Å; C13-C157 PolarHBondContact SG-SG 2.9Å; K153-C157 PolarHBondContact O-N 3.4Å; R154-C157 PolarHBondContact O-N 2.88Å; C157-R159 VanDerWaalsContact C-N 3.35Å; C157-R159 PolarHBondContact O-N 2.9Å; C157-Y160 PolarHBondContact O-N 3.44Å; C157-Q161 WeakPolarHBondContact O-CG 3.25Å; C157-Q161 PolarHBondContact O-N 3.13Å |
| 158 | K | 87.1 | Confident | 84.6 | Confident | 114 Ų | 114 | 84.3 Ų | 84.3 | 50% | 0.496 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 178.1 | -170.8 | -177.1 | -53.3 | -169.9 | 0 | 112.6 | R154 A155 R156 R162 | R154-K158 WeakPolarHBondContact O-CB 3.39Å; R154-K158 PolarHBondContact O-N 3.29Å; A155-K158 PolarHBondContact O-N 3.29Å; R156-K158 VanDerWaalsContact C-N 3.3Å; R156-K158 PolarHBondContact O-N 3.06Å; K158-R162 WeakPolarHBondContact O-CG 3.49Å; K158-R162 PolarHBondContact O-N 3.27Å; K158-R162 VanDerWaalsContact O-N 3.16Å |
| 159 | R | 82.7 | Confident | 82.6 | Confident | 172 Ų | 172 | 89 Ų | 89 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.9 | -47.5 | 175.3 | -73.9 | 179.4 | -178.9 | -169.5 | -0.8 | 111 | A155 R156 C157 Q161 R162 E163 | A155-R159 WeakPolarHBondContact O-CG 3.49Å; A155-R159 PolarHBondContact O-N 3.02Å; R156-R159 PolarHBondContact O-N 2.95Å; C157-R159 VanDerWaalsContact C-N 3.35Å; C157-R159 PolarHBondContact O-N 2.9Å; R159-Q161 PolarHBondContact O-N 3.29Å; R159-R162 PolarHBondContact O-N 3.46Å; R159-R162 VanDerWaalsContact O-N 3.16Å; R159-E163 WeakPolarHBondContact O-CG 3.46Å; R159-E163 PolarHBondContact O-N 3.25Å |
| 160 | Y | 83.4 | Confident | 80.5 | Confident | 82 Ų | 82 | 94.1 Ų | 94.1 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 178.9 | -177.1 | -114.3 | 0 | 0 | 0 | 112.5 | C13 R156 C157 R162 E163 L164 | C13-Y160 HydrophobicContact CB-CD1 4.34Å; R156-Y160 WeakPolarHBondContact O-CB 3.39Å; R156-Y160 PolarHBondContact O-N 3.16Å; C157-Y160 PolarHBondContact O-N 3.44Å; Y160-R162 VanDerWaalsContact C-N 3.32Å; Y160-R162 PolarHBondContact O-N 2.86Å; Y160-E163 PolarHBondContact O-N 2.93Å; Y160-L164 HydrophobicContact CD1-CD1 3.87Å; Y160-L164 HydrophobicContact CD1-CG 4.42Å; Y160-L164 HydrophobicContact CD2-CG 4.45Å; Y160-L164 HydrophobicContact CE1-CD1 3.34Å; Y160-L164 HydrophobicContact CE1-CG 4.06Å; Y160-L164 HydrophobicContact CE2-CD1 4.24Å; Y160-L164 HydrophobicContact CE2-CD2 4.21Å; Y160-L164 HydrophobicContact CE2-CG 4.06Å; Y160-L164 WeakPolarHBondContact O-CB 3.49Å; Y160-L164 WeakPolarHBondContact O-CG 3.46Å; Y160-L164 PolarHBondContact O-N 2.86Å |
| 161 | Q | 77.1 | Confident | 78.2 | Confident | 55 Ų | 55 | 100.2 Ų | 100.2 | 26% | 0.257 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 174.5 | -75.1 | 173.1 | -5.2 | 0 | 0 | 112.2 | C13 C157 R159 L164 M165 | C13-Q161 PolarHBondContact O-NE2 2.92Å; C157-Q161 WeakPolarHBondContact O-CG 3.25Å; C157-Q161 PolarHBondContact O-N 3.13Å; R159-Q161 PolarHBondContact O-N 3.29Å; Q161-L164 PolarHBondContact O-N 3.23Å; Q161-M165 WeakPolarHBondContact O-CB 3.19Å; Q161-M165 VanDerWaalsContact O-CG 3.25Å; Q161-M165 WeakPolarHBondContact O-CG 3.31Å; Q161-M165 PolarHBondContact O-N 3.47Å |
| 162 | R | 75.7 | Confident | 75.8 | Confident | 155 Ų | 155 | 97.9 Ų | 97.9 | 59% | 0.585 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.9 | -43.5 | 176.3 | -70.6 | 174.8 | -173.5 | 175.5 | -3.5 | 112.3 | K158 R159 Y160 L164 M165 L166 | K158-R162 WeakPolarHBondContact O-CG 3.49Å; K158-R162 PolarHBondContact O-N 3.27Å; K158-R162 VanDerWaalsContact O-N 3.16Å; R159-R162 PolarHBondContact O-N 3.46Å; R159-R162 VanDerWaalsContact O-N 3.16Å; Y160-R162 VanDerWaalsContact C-N 3.32Å; Y160-R162 PolarHBondContact O-N 2.86Å; R162-L164 VanDerWaalsContact C-N 3.29Å; R162-L164 PolarHBondContact O-N 3.45Å; R162-M165 PolarHBondContact O-N 2.88Å; R162-L166 WeakPolarHBondContact O-CB 3.48Å; R162-L166 VanDerWaalsContact O-CG 3.31Å; R162-L166 WeakPolarHBondContact O-CG 3.39Å; R162-L166 PolarHBondContact O-N 3.33Å |
| 163 | E | 75.6 | Confident | 73.4 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | 176.7 | -73.9 | 167.1 | -163.8 | 0 | 0 | 111.2 | R159 Y160 A167 | R159-E163 WeakPolarHBondContact O-CG 3.46Å; R159-E163 PolarHBondContact O-N 3.25Å; Y160-E163 PolarHBondContact O-N 2.93Å; E163-A167 VanDerWaalsContact O-CB 3.25Å; E163-A167 WeakPolarHBondContact O-CB 3.14Å; E163-A167 PolarHBondContact O-N 2.92Å |
| 164 | L | 78.8 | Confident | 71.3 | Confident | 46 Ų | 46 | 102.6 Ų | 102.6 | 24% | 0.241 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 173.8 | -73.4 | -179.3 | 0 | 0 | 0 | 113.1 | L14 Y160 Q161 R162 L166 A167 N168 | L14-L164 HydrophobicContact CD1-CD1 4.08Å; L14-L164 HydrophobicContact CD2-CD1 3.86Å; L14-L164 HydrophobicContact CG-CD1 4.39Å; Y160-L164 HydrophobicContact CD1-CD1 3.87Å; Y160-L164 HydrophobicContact CD1-CG 4.42Å; Y160-L164 HydrophobicContact CD2-CG 4.45Å; Y160-L164 HydrophobicContact CE1-CD1 3.34Å; Y160-L164 HydrophobicContact CE1-CG 4.06Å; Y160-L164 HydrophobicContact CE2-CD1 4.24Å; Y160-L164 HydrophobicContact CE2-CD2 4.21Å; Y160-L164 HydrophobicContact CE2-CG 4.06Å; Y160-L164 WeakPolarHBondContact O-CB 3.49Å; Y160-L164 WeakPolarHBondContact O-CG 3.46Å; Y160-L164 PolarHBondContact O-N 2.86Å; Q161-L164 PolarHBondContact O-N 3.23Å; R162-L164 VanDerWaalsContact C-N 3.29Å; R162-L164 PolarHBondContact O-N 3.45Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L164-A167 PolarHBondContact O-N 2.86Å; L164-N168 WeakPolarHBondContact O-CB 3.49Å; L164-N168 VanDerWaalsContact O-CG 3.28Å; L164-N168 PolarHBondContact O-N 2.7Å; L164-N168 PolarHBondContact O-ND2 2.99Å |
| 165 | M | 73.4 | Confident | 69.1 | Low | 124 Ų | 124 | 107.4 Ų | 107.4 | 61% | 0.611 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 175.1 | -75 | 169.5 | 173.4 | 0 | 0 | 110.8 | Q161 R162 N168 E169 | Q161-M165 WeakPolarHBondContact O-CB 3.19Å; Q161-M165 VanDerWaalsContact O-CG 3.25Å; Q161-M165 WeakPolarHBondContact O-CG 3.31Å; Q161-M165 PolarHBondContact O-N 3.47Å; R162-M165 PolarHBondContact O-N 2.88Å; M165-N168 PolarHBondContact O-N 3.46Å; M165-E169 WeakPolarHBondContact O-CB 3.34Å; M165-E169 PolarHBondContact O-N 3.32Å |
| 166 | L | 73.1 | Confident | 66.8 | Low | 103 Ų | 103 | 110.9 Ų | 110.9 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -40.3 | 176 | -69.4 | 170.3 | 0 | 0 | 0 | 112.3 | R162 L164 N168 E169 L170 | R162-L166 WeakPolarHBondContact O-CB 3.48Å; R162-L166 VanDerWaalsContact O-CG 3.31Å; R162-L166 WeakPolarHBondContact O-CG 3.39Å; R162-L166 PolarHBondContact O-N 3.33Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L166-N168 VanDerWaalsContact C-N 3.35Å; L166-E169 PolarHBondContact O-N 2.97Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.36Å |
| 167 | A | 69.9 | Low | 64.6 | Low | 44 Ų | 44 | 106.4 Ų | 106.4 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E163 L164 L170 L171 | E163-A167 VanDerWaalsContact O-CB 3.25Å; E163-A167 WeakPolarHBondContact O-CB 3.14Å; E163-A167 PolarHBondContact O-N 2.92Å; L164-A167 PolarHBondContact O-N 2.86Å; A167-L170 PolarHBondContact O-N 3.22Å; A167-L171 WeakPolarHBondContact O-CD1 3.26Å; A167-L171 VanDerWaalsContact O-CG 3.26Å; A167-L171 WeakPolarHBondContact O-CG 3.38Å; A167-L171 PolarHBondContact O-N 3.27Å |
| 168 | N | 59.1 | Low | 62.4 | Low | 107 Ų | 107 | 111.2 Ų | 111.2 | 57% | 0.572 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.3 | -35.2 | 175.1 | -73.5 | -17.8 | 0 | 0 | 0 | 112.2 | L164 M165 L166 L170 L171 A172 | L164-N168 WeakPolarHBondContact O-CB 3.49Å; L164-N168 VanDerWaalsContact O-CG 3.28Å; L164-N168 PolarHBondContact O-N 2.7Å; L164-N168 PolarHBondContact O-ND2 2.99Å; M165-N168 PolarHBondContact O-N 3.46Å; L166-N168 VanDerWaalsContact C-N 3.35Å; N168-L170 VanDerWaalsContact C-N 3.34Å; N168-L171 PolarHBondContact O-N 3.43Å; N168-A172 PolarHBondContact O-N 3.22Å |
| 169 | E | 54 | Low | 60.2 | Low | 147 Ų | 147 | 115 Ų | 115 | 69% | 0.687 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.5 | -30.6 | 177.1 | -157.9 | 163.9 | -158.9 | 0 | 0 | 112 | M165 L166 L171 | M165-E169 WeakPolarHBondContact O-CB 3.34Å; M165-E169 PolarHBondContact O-N 3.32Å; L166-E169 PolarHBondContact O-N 2.97Å; E169-L171 VanDerWaalsContact C-N 3.33Å |
| 170 | L | 52.2 | Low | 58.4 | Low | 143 Ų | 143 | 113.8 Ų | 113.8 | 75% | 0.749 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -11.2 | 170.8 | -69.5 | 171.3 | 0 | 0 | 0 | 114.2 | L166 A167 N168 | L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.36Å; A167-L170 PolarHBondContact O-N 3.22Å; N168-L170 VanDerWaalsContact C-N 3.34Å |
| 171 | L | 48.8 | Very low | 56.4 | Low | 129 Ų | 129 | 116.1 Ų | 116.1 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 6.6 | 174.9 | -70.7 | 169.5 | 0 | 0 | 0 | 112.4 | A167 N168 E169 D173 | A167-L171 WeakPolarHBondContact O-CD1 3.26Å; A167-L171 VanDerWaalsContact O-CG 3.26Å; A167-L171 WeakPolarHBondContact O-CG 3.38Å; A167-L171 PolarHBondContact O-N 3.27Å; N168-L171 PolarHBondContact O-N 3.43Å; E169-L171 VanDerWaalsContact C-N 3.33Å; L171-D173 PolarHBondContact O-N 3.28Å |
| 172 | A | 46.2 | Very low | 54.4 | Low | 75 Ų | 75 | 121.3 Ų | 121.3 | 62% | 0.62 | 64% | 0.639 | S | S | * | * | trans | -82.7 | 19.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | N168 P174 | N168-A172 PolarHBondContact O-N 3.22Å; A172-P174 WeakPolarHBondContact O-CD 3.41Å | ||
| 173 | D | 44 | Very low | 52.3 | Low | 124 Ų | 124 | 120.8 Ų | 120.8 | 66% | 0.663 | 65% | 0.649 | S | S | * | * | trans | -82 | 113.7 | 162.9 | -89.4 | -33.4 | 0 | 0 | 0 | 108.8 | L171 D175 N176 | L171-D173 PolarHBondContact O-N 3.28Å; D173-D175 PolarHBondContact O-N 3.03Å; D173-N176 PolarHBondContact O-N 3.5Å | ||
| 174 | P | 51.8 | Low | 50.3 | Low | 108 Ų | 108 | 123.2 Ų | 123.2 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -5 | -174.5 | 27.2 | -34.2 | 0 | 0 | 0 | 114.4 | A172 | A172-P174 WeakPolarHBondContact O-CD 3.41Š|
| 175 | D | 49.4 | Very low | 49.1 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 3.7 | -175.3 | -71.4 | -30.9 | 0 | 0 | 0 | 114.8 | D173 | D173-D175 PolarHBondContact O-N 3.03Š|
| 176 | N | 42.8 | Very low | 47.9 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 63% | 0.631 | 71% | 0.708 | S | S | * | * | trans | -125.1 | 64 | 175.7 | -159.3 | 30.2 | 0 | 0 | 0 | 112.5 | D173 V178 | D173-N176 PolarHBondContact O-N 3.5Å; N176-V178 VanDerWaalsContact C-N 3.35Å; N176-V178 PolarHBondContact O-N 2.97Å | ||
| 177 | C | 44.5 | Very low | 46.6 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | trans | -68.3 | 87.1 | 167.7 | -70.5 | 0 | 0 | 0 | 0 | 110.6 | Y179 | C177-Y179 HydrophobicContact CB-CD2 4.24Å; C177-Y179 HydrophobicContact CB-CE2 4.21Å; C177-Y179 PolarHBondContact O-N 3.15Å | ||
| 178 | V | 41.5 | Very low | 45.3 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 65% | 0.648 | 74% | 0.737 | S | S | * | * | trans | -85.7 | 91.2 | 159.8 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | N176 I180 | N176-V178 VanDerWaalsContact C-N 3.35Å; N176-V178 PolarHBondContact O-N 2.97Å; V178-I180 PolarHBondContact O-N 3.3Å; V178-I180 VanDerWaalsContact O-N 3.15Å | ||
| 179 | Y | 40.4 | Very low | 44.5 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -62 | 111.2 | 160.2 | -80.8 | -93 | 0 | 0 | 0 | 107.6 | C177 I181 | C177-Y179 HydrophobicContact CB-CD2 4.24Å; C177-Y179 HydrophobicContact CB-CE2 4.21Å; C177-Y179 PolarHBondContact O-N 3.15Å; Y179-I181 PolarHBondContact O-N 2.94Å | ||
| 180 | I | 44.6 | Very low | 43.9 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -73.8 | 89.3 | 162.2 | -54.6 | -171.3 | 0 | 0 | 0 | 105.8 | V178 L182 | V178-I180 PolarHBondContact O-N 3.3Å; V178-I180 VanDerWaalsContact O-N 3.15Å; I180-L182 PolarHBondContact O-N 3.23Å | ||
| 181 | I | 41.2 | Very low | 43.3 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 68% | 0.677 | 75% | 0.751 | S | S | * | * | trans | -62.4 | 112.9 | 168.5 | -61.2 | 176.2 | 0 | 0 | 0 | 106.3 | Y179 D183 | Y179-I181 PolarHBondContact O-N 2.94Å; I181-D183 PolarHBondContact O-N 3.19Å | ||
| 182 | L | 36.2 | Very low | 42.9 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -74 | 100.4 | 166.1 | -67.9 | 172.6 | 0 | 0 | 0 | 107.2 | I180 | I180-L182 PolarHBondContact O-N 3.23Š| ||
| 183 | D | 31.8 | Very low | 42.7 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -91.8 | 107.6 | 167.7 | -131.3 | -95.7 | 0 | 0 | 0 | 108 | I181 | I181-D183 PolarHBondContact O-N 3.19Š| ||
| 184 | E | 33.6 | Very low | 42.6 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -83.7 | 145.6 | 152 | -103.6 | -137.8 | 145.6 | 0 | 0 | 107.3 | ||||
| 185 | P | 52.9 | Low | 41.7 | Very low | 179 Ų | 179 | 147 Ų | 147 | 100% | 1.162 | 78% | 0.782 | S | S | * | * | cis | -133.3 | 0 | 49.9 | 35.7 | -19.1 | 0 | 0 | 0 | 117.1 |
Retrieved 185 of 185 residues in 27.2 ms
(Link to these results)