| 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 | 47.8 | Very low | 46.4 | Very low | 235 Ų | 235 | 156.2 Ų | 156.2 | 100% | 1.158 | 75% | 0.753 | S | S | * | * | 0 | 42 | 0 | -65.8 | -63.9 | -157.8 | 0 | 0 | 113.1 | |||||
| 2 | A | 49.5 | Very low | 46.6 | Very low | 68 Ų | 68 | 153.5 Ų | 153.5 | 56% | 0.562 | 75% | 0.745 | S | S | * | * | trans | -128.3 | -4.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T5 | A2-T5 PolarHBondContact O-OG1 3.07Š| ||
| 3 | F | 38.9 | Very low | 46.7 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -93.5 | -19.1 | -176.3 | -87 | -86.6 | 0 | 0 | 0 | 114.3 | ||
| 4 | L | 45.3 | Very low | 46.6 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -80.1 | -22.2 | -178.5 | -78.5 | 160.9 | 0 | 0 | 0 | 113.6 | ||
| 5 | T | 48.3 | Very low | 46.7 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 63% | 0.632 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -76.2 | -21.9 | 179.7 | 33.5 | 0 | 0 | 0 | 0 | 113.6 | A2 | A2-T5 PolarHBondContact O-OG1 3.07Å |
| 6 | L | 48.1 | Very low | 46.8 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 63% | 0.634 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -84.5 | -25.8 | 176.9 | -75.9 | 170.4 | 0 | 0 | 0 | 113.1 | ||
| 7 | F | 45 | Very low | 46.9 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 69% | 0.689 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -76.3 | -36.3 | -177.8 | -132.3 | -90.7 | 0 | 0 | 0 | 112.6 | R9 R10 | F7-R9 VanDerWaalsContact C-N 3.29Å; F7-R9 PolarHBondContact O-N 3.12Å; F7-R10 PolarHBondContact O-N 2.99Å |
| 8 | V | 45.8 | Very low | 46.9 | Very low | 110 Ų | 110 | 140 Ų | 140 | 67% | 0.667 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70 | -27 | 177.9 | -179 | 0 | 0 | 0 | 0 | 112 | R10 | V8-R10 VanDerWaalsContact C-N 3.29Å; V8-R10 PolarHBondContact O-N 3.36Å |
| 9 | R | 45.3 | Very low | 46.9 | Very low | 221 Ų | 221 | 141.7 Ų | 141.7 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -14.2 | -179 | -115 | -177.1 | 178.9 | -179.8 | 0.3 | 114.4 | F7 | F7-R9 VanDerWaalsContact C-N 3.29Å; F7-R9 PolarHBondContact O-N 3.12Å |
| 10 | R | 48.7 | Very low | 46.8 | Very low | 221 Ų | 221 | 137.9 Ų | 137.9 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -11.8 | -169.8 | -138.1 | 173.3 | 170.2 | 171.6 | -4.1 | 114.7 | F7 V8 | F7-R10 PolarHBondContact O-N 2.99Å; V8-R10 VanDerWaalsContact C-N 3.29Å; V8-R10 PolarHBondContact O-N 3.36Å |
| 11 | Q | 47.7 | Very low | 46.7 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -96.3 | -0.5 | -177.7 | -85 | -108.3 | 43.5 | 0 | 0 | 114.8 | ||
| 12 | L | 48.7 | Very low | 46.6 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | trans | -107.5 | 25.7 | -175.3 | -99.3 | 158.2 | 0 | 0 | 0 | 117.9 | ||||
| 13 | P | 48.1 | Very low | 46.3 | Very low | 90 Ų | 90 | 138 Ų | 138 | 58% | 0.584 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -99.7 | -8.3 | 175.6 | 37.1 | -31.9 | 0 | 0 | 0 | 115.7 | S17 | P13-S17 PolarHBondContact O-OG 2.89Š|
| 14 | Q | 45.4 | Very low | 46.5 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -99.3 | -26 | -171.2 | -78.4 | -179 | -24 | 0 | 0 | 115.8 | S17 | Q14-S17 PolarHBondContact O-OG 3.49Å; Q14-S17 VanDerWaalsContact O-OG 3.09Å |
| 15 | A | 47.1 | Very low | 46.3 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -82.1 | -24 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 16 | V | 49.3 | Very low | 45.7 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 61% | 0.606 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -81.8 | -21.4 | -176.1 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 17 | S | 48.9 | Very low | 45.3 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 48% | 0.476 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -79.3 | -17.7 | -178.1 | 32.9 | 0 | 0 | 0 | 0 | 114.2 | P13 Q14 | P13-S17 PolarHBondContact O-OG 2.89Å; Q14-S17 PolarHBondContact O-OG 3.49Å; Q14-S17 VanDerWaalsContact O-OG 3.09Å |
| 18 | Y | 46.8 | Very low | 44.9 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 73% | 0.725 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -77.7 | -35.1 | 173.4 | -83.1 | -81 | 0 | 0 | 0 | 112.9 | ||
| 19 | F | 45.4 | Very low | 44.4 | Very low | 172 Ų | 172 | 139 Ų | 139 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -76.2 | -26.8 | 178.9 | -86.9 | -82.7 | 0 | 0 | 0 | 113.5 | R21 | F19-R21 VanDerWaalsContact C-N 3.29Å; F19-R21 PolarHBondContact O-N 3.42Å |
| 20 | A | 45.8 | Very low | 44.1 | Very low | 66 Ų | 66 | 140.9 Ų | 140.9 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | H | α-helix | trans | -68.1 | -27.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 21 | R | 44.4 | Very low | 43.3 | Very low | 203 Ų | 203 | 134.1 Ų | 134.1 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -79 | -19.2 | -178.1 | -124.5 | -178.5 | -149.9 | 168.9 | 6.6 | 114.4 | F19 | F19-R21 VanDerWaalsContact C-N 3.29Å; F19-R21 PolarHBondContact O-N 3.42Å |
| 22 | V | 46.8 | Very low | 42.7 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -86.2 | -21.5 | -178 | 178.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 23 | V | 43.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -87.1 | -15.2 | 178.9 | 179.4 | 0 | 0 | 0 | 0 | 112.6 | L25 | V23-L25 VanDerWaalsContact C-N 3.29Å; V23-L25 PolarHBondContact O-N 2.91Å |
| 24 | E | 41.9 | Very low | 41.2 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 12.6 | -176 | -134.6 | -176.5 | 178.8 | 0 | 0 | 114.7 | ||
| 25 | L | 40.7 | Very low | 41.9 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 15.1 | 179.4 | -134.4 | 85.7 | 0 | 0 | 0 | 114.5 | V23 | V23-L25 VanDerWaalsContact C-N 3.29Å; V23-L25 PolarHBondContact O-N 2.91Å |
| 26 | G | 37.1 | Very low | 41.5 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -119.5 | 18 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 27 | R | 39.3 | Very low | 40.9 | Very low | 233 Ų | 233 | 136.5 Ų | 136.5 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -123.3 | 108.8 | -175.7 | -150.2 | 177.9 | -174.1 | 173.5 | 2.3 | 111.2 | G29 | R27-G29 PolarHBondContact O-N 2.83Š| ||
| 28 | P | 37.1 | Very low | 40.6 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -73 | 126.7 | 163.6 | 19.5 | -12.4 | 0 | 0 | 0 | 109 | ||||
| 29 | G | 35.5 | Very low | 40.2 | Very low | 81 Ų | 81 | 143 Ų | 143 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -64.5 | 147.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R27 | R27-G29 PolarHBondContact O-N 2.83Š| ||
| 30 | R | 37.3 | Very low | 39.7 | Very low | 261 Ų | 261 | 143.9 Ų | 143.9 | 99% | 0.985 | 81% | 0.808 | S | S | * | * | trans | -116.3 | 96.1 | 167.8 | -156.1 | -180 | -168.7 | -175.7 | 4 | 106.7 | ||||
| 31 | G | 33.4 | Very low | 39.2 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -124.2 | 141.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 32 | G | 33.6 | Very low | 38.8 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | cis | 142.5 | 128.9 | 17.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 33 | G | 30.7 | Very low | 38.4 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 119 | 98.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 34 | A | 35.2 | Very low | 38.1 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | 86.3 | 148.3 | 133.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 35 | P | 59.6 | Low | 38 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | trans | -110.7 | 153.4 | -157 | 38.3 | -25.1 | 0 | 0 | 0 | 113.2 | ||||
| 36 | L | 39.5 | Very low | 38.1 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -170.8 | 125.5 | 157.2 | -105.1 | 146.8 | 0 | 0 | 0 | 113.7 | ||||
| 37 | R | 36.4 | Very low | 38.2 | Very low | 219 Ų | 219 | 150.1 Ų | 150.1 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | 54.3 | 110.1 | 143.2 | -83.3 | 174.6 | -175.1 | 166.9 | -2.2 | 122.1 | ||||
| 38 | R | 43 | Very low | 38 | Very low | 226 Ų | 226 | 142.4 Ų | 142.4 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | 39.1 | 117.2 | 109.5 | -171.8 | -170.1 | -66.7 | -113.7 | 2.4 | 118.3 | |||||
| 39 | L | 38.9 | Very low | 37.9 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -175.9 | 103.8 | 132.5 | -97 | 143.6 | 0 | 0 | 0 | 107.7 | ||||
| 40 | H | 34 | Very low | 37.9 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 88% | 0.88 | 83% | 0.831 | S | S | * | * | 66.7 | 115.5 | 97 | -139 | -99.6 | 0 | 0 | 0 | 115 | |||||
| 41 | G | 35.9 | Very low | 38 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | 167.6 | 85.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 42 | S | 36.6 | Very low | 38.6 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | 109.2 | 139.3 | 74 | -171 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 43 | A | 38.4 | Very low | 38.9 | Very low | 88 Ų | 88 | 150.3 Ų | 150.3 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -94.6 | 145.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 44 | R | 36.9 | Very low | 39.3 | Very low | 223 Ų | 223 | 149.6 Ų | 149.6 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | 175.7 | 134.1 | 148.9 | -105.1 | 175.2 | -179.9 | -124.1 | 9.5 | 105.3 | ||||
| 45 | Q | 39.3 | Very low | 39.6 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 67% | 0.673 | 81% | 0.81 | S | S | * | * | cis | -166 | 127.7 | 20.3 | -160.9 | 149.5 | -32.2 | 0 | 0 | 106.5 | ||||
| 46 | R | 42.9 | Very low | 38.6 | Very low | 246 Ų | 246 | 154.8 Ų | 154.8 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -77.3 | 119.2 | 167.8 | -65.8 | -174.9 | -159.6 | -141.8 | 4.6 | 108.1 | ||||
| 47 | V | 39 | Very low | 38.6 | Very low | 141 Ų | 141 | 156.6 Ų | 156.6 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -156.2 | 129 | 149.9 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 48 | G | 35.8 | Very low | 38.9 | Very low | 71 Ų | 71 | 158.6 Ų | 158.6 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | S | Bend | trans | 148.9 | 73.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 49 | D | 33.1 | Very low | 38.5 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | 43.4 | 116.5 | 156.5 | -81.1 | -68.9 | 0 | 0 | 0 | 123 | G51 | D49-G51 PolarHBondContact O-N 2.84Š| ||
| 50 | K | 37 | Very low | 38.5 | Very low | 207 Ų | 207 | 147.2 Ų | 147.2 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | trans | -74.8 | 104.5 | 158.4 | -84.3 | 165.9 | 166.1 | -83.2 | 0 | 108.9 | ||||
| 51 | G | 38.7 | Very low | 39 | Very low | 60 Ų | 60 | 145.4 Ų | 145.4 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 139.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D49 W53 | D49-G51 PolarHBondContact O-N 2.84Å; G51-W53 VanDerWaalsContact C-N 3.33Å; G51-W53 PolarHBondContact O-N 3.49Å; G51-W53 VanDerWaalsContact O-N 3.12Å | ||
| 52 | P | 45.6 | Very low | 39.4 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -87.7 | 68.3 | -178.8 | 35.8 | -33 | 0 | 0 | 0 | 110.9 | ||
| 53 | W | 41.4 | Very low | 40 | Very low | 246 Ų | 246 | 147.7 Ų | 147.7 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -128.4 | 87.5 | 164.4 | -71.9 | 89.5 | 0 | 0 | 0 | 108.3 | G51 | G51-W53 VanDerWaalsContact C-N 3.33Å; G51-W53 PolarHBondContact O-N 3.49Å; G51-W53 VanDerWaalsContact O-N 3.12Å | ||
| 54 | G | 38.8 | Very low | 40.5 | Very low | 64 Ų | 64 | 149.7 Ų | 149.7 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | -64.6 | 132.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S56 | G54-S56 PolarHBondContact O-N 3.47Å; G54-S56 VanDerWaalsContact O-N 3.07Å | ||
| 55 | K | 40.8 | Very low | 40.8 | Very low | 213 Ų | 213 | 146 Ų | 146 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | 28.8 | 75.5 | 120.2 | -58.8 | 177.6 | -178.3 | -179.6 | 0 | 115.5 | |||||
| 56 | S | 39.2 | Very low | 41.2 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -171.9 | 104.5 | 149 | -81.4 | 0 | 0 | 0 | 0 | 103.1 | G54 | G54-S56 PolarHBondContact O-N 3.47Å; G54-S56 VanDerWaalsContact O-N 3.07Å | ||
| 57 | Q | 39.7 | Very low | 41.5 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | -171.1 | 102.7 | 66 | -166.4 | 165.3 | 16.8 | 0 | 0 | 105.7 | G59 | Q57-G59 PolarHBondContact O-N 3.43Š| |||
| 58 | R | 41.9 | Very low | 41.9 | Very low | 261 Ų | 261 | 140.9 Ų | 140.9 | 99% | 0.985 | 74% | 0.736 | S | S | * | * | trans | -77.4 | 77.8 | 167.9 | -165.2 | -172.5 | -68.7 | 174.3 | -3 | 106.3 | ||||
| 59 | G | 34.2 | Very low | 42.6 | Very low | 33 Ų | 33 | 143.1 Ų | 143.1 | 34% | 0.34 | 73% | 0.73 | S | S | . | * | trans | -81.7 | 145.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q57 E61 | Q57-G59 PolarHBondContact O-N 3.43Å; G59-E61 PolarHBondContact O-N 2.89Å | ||
| 60 | P | 39.5 | Very low | 43.8 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -76.8 | 45.1 | -179.9 | 34 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 61 | E | 43.7 | Very low | 44.6 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -105.8 | 12.3 | -171.3 | -65.8 | -78.7 | 109.5 | 0 | 0 | 113.2 | G59 | G59-E61 PolarHBondContact O-N 2.89Š| ||
| 62 | Q | 44.6 | Very low | 45.2 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -98 | -18 | -178.5 | -65.3 | -172.3 | 4.8 | 0 | 0 | 117.1 | Q66 | Q62-Q66 WeakPolarHBondContact O-CB 3.3Å; Q62-Q66 PolarHBondContact O-N 3.47Å |
| 63 | P | 50.4 | Low | 45.9 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 58% | 0.578 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.7 | -33.4 | 173.8 | -2.7 | 14.5 | 0 | 0 | 0 | 112.3 | Y67 | P63-Y67 WeakPolarHBondContact O-CB 3.28Å; P63-Y67 PolarHBondContact O-N 2.71Å |
| 64 | L | 48.4 | Very low | 46.9 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 68% | 0.681 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.1 | -39.1 | -172.4 | -156.9 | 152.6 | 0 | 0 | 0 | 111.7 | Y67 H68 | L64-Y67 PolarHBondContact O-N 3.12Å; L64-H68 VanDerWaalsContact O-CB 3.28Å; L64-H68 WeakPolarHBondContact O-CB 3.33Å; L64-H68 PolarHBondContact O-N 3.38Å |
| 65 | Q | 43.9 | Very low | 47.8 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.9 | -35 | 177 | -150.6 | 163.8 | 28.5 | 0 | 0 | 111.7 | H68 L69 | Q65-H68 PolarHBondContact O-N 2.8Å; Q65-L69 VanDerWaalsContact O-CB 3.31Å; Q65-L69 WeakPolarHBondContact O-CB 3.49Å; Q65-L69 PolarHBondContact O-N 2.84Å |
| 66 | Q | 46.4 | Very low | 48.7 | Very low | 141 Ų | 141 | 122.3 Ų | 122.3 | 66% | 0.659 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.3 | -39.6 | 172.9 | -162.2 | 156.7 | -32.9 | 0 | 0 | 111.3 | Q62 H68 L69 T70 | Q62-Q66 WeakPolarHBondContact O-CB 3.3Å; Q62-Q66 PolarHBondContact O-N 3.47Å; Q66-H68 PolarHBondContact O-N 2.89Å; Q66-L69 PolarHBondContact O-N 2.89Å; Q66-T70 WeakPolarHBondContact O-CB 3.15Å; Q66-T70 PolarHBondContact O-N 2.84Å; Q66-T70 PolarHBondContact O-OG1 3.22Å |
| 67 | Y | 48.5 | Very low | 49.6 | Very low | 168 Ų | 168 | 119.5 Ų | 119.5 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.3 | -46 | 170.5 | -118.8 | -94 | 0 | 0 | 0 | 111.7 | P63 L64 L69 T70 D71 | P63-Y67 WeakPolarHBondContact O-CB 3.28Å; P63-Y67 PolarHBondContact O-N 2.71Å; L64-Y67 PolarHBondContact O-N 3.12Å; Y67-L69 PolarHBondContact O-N 2.55Å; Y67-T70 PolarHBondContact O-N 2.76Å; Y67-D71 WeakPolarHBondContact O-CB 3.17Å; Y67-D71 PolarHBondContact O-N 2.78Å |
| 68 | H | 48 | Very low | 50.3 | Low | 114 Ų | 114 | 113.8 Ų | 113.8 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.6 | -37.1 | -178.6 | -161.4 | -38 | 0 | 0 | 0 | 111.9 | L64 Q65 Q66 L72 | L64-H68 VanDerWaalsContact O-CB 3.28Å; L64-H68 WeakPolarHBondContact O-CB 3.33Å; L64-H68 PolarHBondContact O-N 3.38Å; Q65-H68 PolarHBondContact O-N 2.8Å; Q66-H68 PolarHBondContact O-N 2.89Å; H68-L72 VanDerWaalsContact O-CB 3.3Å; H68-L72 WeakPolarHBondContact O-CB 3.31Å; H68-L72 PolarHBondContact O-N 3.24Å |
| 69 | L | 50.9 | Low | 50.7 | Low | 117 Ų | 117 | 106.8 Ų | 106.8 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.1 | -36.3 | 174.6 | -148.3 | 160.5 | 0 | 0 | 0 | 110.7 | Q65 Q66 Y67 L72 D73 | Q65-L69 VanDerWaalsContact O-CB 3.31Å; Q65-L69 WeakPolarHBondContact O-CB 3.49Å; Q65-L69 PolarHBondContact O-N 2.84Å; Q66-L69 PolarHBondContact O-N 2.89Å; Y67-L69 PolarHBondContact O-N 2.55Å; L69-L72 PolarHBondContact O-N 2.72Å; L69-D73 VanDerWaalsContact O-CB 3.23Å; L69-D73 WeakPolarHBondContact O-CB 3.32Å; L69-D73 PolarHBondContact O-N 3.38Å |
| 70 | T | 57.6 | Low | 51.5 | Low | 79 Ų | 79 | 110.9 Ų | 110.9 | 49% | 0.485 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.5 | -34 | 175.7 | -38.5 | 0 | 0 | 0 | 0 | 112.4 | Q66 Y67 K74 | Q66-T70 WeakPolarHBondContact O-CB 3.15Å; Q66-T70 PolarHBondContact O-N 2.84Å; Q66-T70 PolarHBondContact O-OG1 3.22Å; Y67-T70 PolarHBondContact O-N 2.76Å; T70-K74 VanDerWaalsContact O-CB 3.3Å; T70-K74 WeakPolarHBondContact O-CB 3.44Å; T70-K74 PolarHBondContact O-N 2.81Å |
| 71 | D | 53.8 | Low | 52.4 | Low | 84 Ų | 84 | 111 Ų | 111 | 45% | 0.449 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.9 | -32.4 | 172 | -88.2 | -36.6 | 0 | 0 | 0 | 111.9 | Y67 A75 | Y67-D71 WeakPolarHBondContact O-CB 3.17Å; Y67-D71 PolarHBondContact O-N 2.78Å; D71-A75 WeakPolarHBondContact O-CB 3.3Å; D71-A75 PolarHBondContact O-N 3.19Å |
| 72 | L | 51.5 | Low | 52.8 | Low | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67 | -43.5 | 171 | -135.9 | 76.9 | 0 | 0 | 0 | 110.7 | H68 L69 A75 D76 | H68-L72 VanDerWaalsContact O-CB 3.3Å; H68-L72 WeakPolarHBondContact O-CB 3.31Å; H68-L72 PolarHBondContact O-N 3.24Å; L69-L72 PolarHBondContact O-N 2.72Å; L72-A75 CarbonylContact O-C 3.48Å; L72-A75 WeakPolarHBondContact O-CA 3.45Å; L72-A75 WeakPolarHBondContact O-CB 3.4Å; L72-A75 PolarHBondContact O-N 2.77Å; L72-A75 VanDerWaalsContact O-N 3.12Å; L72-D76 VanDerWaalsContact O-CB 3.32Å; L72-D76 WeakPolarHBondContact O-CB 3.48Å; L72-D76 PolarHBondContact O-N 3.33Å |
| 73 | D | 61.6 | Low | 53 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 57% | 0.567 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.2 | -31.6 | 178.1 | -155.4 | 19.9 | 0 | 0 | 0 | 111.2 | L69 A77 | L69-D73 VanDerWaalsContact O-CB 3.23Å; L69-D73 WeakPolarHBondContact O-CB 3.32Å; L69-D73 PolarHBondContact O-N 3.38Å; D73-A77 WeakPolarHBondContact O-CB 3.46Å; D73-A77 PolarHBondContact O-N 2.82Å |
| 74 | K | 61.6 | Low | 53.3 | Low | 132 Ų | 132 | 106.7 Ų | 106.7 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.3 | -41 | 164.4 | -106.1 | 173.7 | 178.4 | 167.2 | 0 | 112.2 | T70 D76 L78 | T70-K74 VanDerWaalsContact O-CB 3.3Å; T70-K74 WeakPolarHBondContact O-CB 3.44Å; T70-K74 PolarHBondContact O-N 2.81Å; K74-D76 VanDerWaalsContact C-N 3.33Å; K74-L78 WeakPolarHBondContact O-CB 3.32Å; K74-L78 WeakPolarHBondContact O-CD1 3.1Å; K74-L78 WeakPolarHBondContact O-CG 3.43Å; K74-L78 PolarHBondContact O-N 3.07Å |
| 75 | A | 57.7 | Low | 53.6 | Low | 51 Ų | 51 | 102 Ų | 102 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D71 L72 L78 M79 | D71-A75 WeakPolarHBondContact O-CB 3.3Å; D71-A75 PolarHBondContact O-N 3.19Å; L72-A75 CarbonylContact O-C 3.48Å; L72-A75 WeakPolarHBondContact O-CA 3.45Å; L72-A75 WeakPolarHBondContact O-CB 3.4Å; L72-A75 PolarHBondContact O-N 2.77Å; L72-A75 VanDerWaalsContact O-N 3.12Å; A75-L78 CarbonylContact O-C 3.6Å; A75-L78 PolarHBondContact O-N 3.44Å; A75-M79 WeakPolarHBondContact O-CB 3.2Å; A75-M79 PolarHBondContact O-N 3.34Å |
| 76 | D | 59.1 | Low | 54.4 | Low | 79 Ų | 79 | 99.6 Ų | 99.6 | 42% | 0.422 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.9 | -41.4 | 176.1 | -141.7 | 42.6 | 0 | 0 | 0 | 110.4 | L72 K74 L78 M79 L80 | L72-D76 VanDerWaalsContact O-CB 3.32Å; L72-D76 WeakPolarHBondContact O-CB 3.48Å; L72-D76 PolarHBondContact O-N 3.33Å; K74-D76 VanDerWaalsContact C-N 3.33Å; D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 2.78Å; D76-M79 PolarHBondContact O-N 3.27Å; D76-M79 WeakPolarHBondContact OD1-CE 3.48Å; D76-L80 WeakPolarHBondContact O-CB 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.03Å; D76-L80 PolarHBondContact O-N 3.16Å |
| 77 | A | 59 | Low | 55.1 | Low | 58 Ų | 58 | 94.3 Ų | 94.3 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D73 R81 | D73-A77 WeakPolarHBondContact O-CB 3.46Å; D73-A77 PolarHBondContact O-N 2.82Å; A77-R81 VanDerWaalsContact O-CB 3.29Å; A77-R81 WeakPolarHBondContact O-CB 3.44Å; A77-R81 PolarHBondContact O-N 3.48Å |
| 78 | L | 54.9 | Low | 55.9 | Low | 70 Ų | 70 | 87.7 Ų | 87.7 | 37% | 0.366 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.4 | -32.5 | 173.4 | -77.6 | 166.7 | 0 | 0 | 0 | 111.8 | K74 A75 D76 R81 K82 | K74-L78 WeakPolarHBondContact O-CB 3.32Å; K74-L78 WeakPolarHBondContact O-CD1 3.1Å; K74-L78 WeakPolarHBondContact O-CG 3.43Å; K74-L78 PolarHBondContact O-N 3.07Å; A75-L78 CarbonylContact O-C 3.6Å; A75-L78 PolarHBondContact O-N 3.44Å; D76-L78 VanDerWaalsContact C-N 3.32Å; D76-L78 PolarHBondContact O-N 2.78Å; L78-R81 CarbonylContact O-C 3.54Å; L78-R81 PolarHBondContact O-N 3.34Å; L78-K82 VanDerWaalsContact O-CB 3.32Å; L78-K82 WeakPolarHBondContact O-CB 3.34Å; L78-K82 PolarHBondContact O-N 3.41Å |
| 79 | M | 50.3 | Low | 56.8 | Low | 114 Ų | 114 | 85.4 Ų | 85.4 | 56% | 0.562 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -76.9 | -37.2 | 178.7 | -167.5 | 179.7 | 63.9 | 0 | 0 | 111.4 | A75 D76 R81 K82 S83 | A75-M79 WeakPolarHBondContact O-CB 3.2Å; A75-M79 PolarHBondContact O-N 3.34Å; D76-M79 PolarHBondContact O-N 3.27Å; D76-M79 WeakPolarHBondContact OD1-CE 3.48Å; M79-R81 VanDerWaalsContact C-N 3.28Å; M79-K82 CarbonylContact O-C 3.57Å; M79-K82 WeakPolarHBondContact O-CB 3.14Å; M79-K82 PolarHBondContact O-N 2.92Å; M79-S83 PolarHBondContact O-N 3.15Å |
| 80 | L | 50.8 | Low | 57.6 | Low | 118 Ų | 118 | 82.4 Ų | 82.4 | 62% | 0.618 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.9 | -27.7 | 167.6 | -76.9 | 169.6 | 0 | 0 | 0 | 112.2 | D76 S83 H84 | D76-L80 WeakPolarHBondContact O-CB 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.03Å; D76-L80 PolarHBondContact O-N 3.16Å; L80-S83 WeakPolarHBondContact CA-OG 3.18Å; L80-S83 PolarHBondContact O-OG 3.36Å; L80-H84 PolarHBondContact O-N 2.97Å |
| 81 | R | 58.3 | Low | 58.2 | Low | 123 Ų | 123 | 85.5 Ų | 85.5 | 46% | 0.464 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -78.7 | -31.4 | 169.7 | -144.4 | 172.1 | -168.7 | 169 | 3.2 | 111.9 | A77 L78 M79 H84 E85 | A77-R81 VanDerWaalsContact O-CB 3.29Å; A77-R81 WeakPolarHBondContact O-CB 3.44Å; A77-R81 PolarHBondContact O-N 3.48Å; L78-R81 CarbonylContact O-C 3.54Å; L78-R81 PolarHBondContact O-N 3.34Å; M79-R81 VanDerWaalsContact C-N 3.28Å; R81-H84 CarbonylContact O-C 3.59Å; R81-H84 WeakPolarHBondContact O-CA 3.4Å; R81-H84 WeakPolarHBondContact O-CB 3.46Å; R81-H84 PolarHBondContact O-N 3.18Å; R81-E85 WeakPolarHBondContact O-CG 3.48Å; R81-E85 PolarHBondContact O-N 3.31Å; R81-E85 VanDerWaalsContact O-N 3.08Å |
| 82 | K | 50.8 | Low | 59.1 | Low | 128 Ų | 128 | 82.3 Ų | 82.3 | 56% | 0.557 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -71.3 | -35.1 | 173.8 | -122.6 | -178.7 | -176 | 123 | 0 | 112.9 | L78 M79 H84 E85 T86 | L78-K82 VanDerWaalsContact O-CB 3.32Å; L78-K82 WeakPolarHBondContact O-CB 3.34Å; L78-K82 PolarHBondContact O-N 3.41Å; M79-K82 CarbonylContact O-C 3.57Å; M79-K82 WeakPolarHBondContact O-CB 3.14Å; M79-K82 PolarHBondContact O-N 2.92Å; K82-H84 PolarHBondContact O-N 3.36Å; K82-E85 WeakPolarHBondContact CG-OE2 3.29Å; K82-E85 WeakPolarHBondContact O-CA 3.39Å; K82-E85 VanDerWaalsContact O-CB 3.24Å; K82-E85 WeakPolarHBondContact O-CB 3.43Å; K82-E85 PolarHBondContact O-N 3.22Å; K82-T86 PolarHBondContact O-N 3.47Å; K82-T86 VanDerWaalsContact O-N 3.08Å |
| 83 | S | 50.1 | Low | 60.3 | Low | 64 Ų | 64 | 85.9 Ų | 85.9 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.1 | -33.5 | 169.7 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | M79 L80 E85 T86 G87 | M79-S83 PolarHBondContact O-N 3.15Å; L80-S83 WeakPolarHBondContact CA-OG 3.18Å; L80-S83 PolarHBondContact O-OG 3.36Å; S83-E85 VanDerWaalsContact C-N 3.28Å; S83-E85 PolarHBondContact O-N 3.25Å; S83-T86 WeakPolarHBondContact CA-OG1 3.39Å; S83-T86 PolarHBondContact O-N 2.96Å; S83-T86 PolarHBondContact O-OG1 3.08Å; S83-G87 PolarHBondContact O-N 3.42Å |
| 84 | H | 55.2 | Low | 61.2 | Low | 113 Ų | 113 | 85 Ų | 85 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68 | -23.6 | 169 | -148.9 | -71.5 | 0 | 0 | 0 | 113.4 | L80 R81 K82 F88 | L80-H84 PolarHBondContact O-N 2.97Å; R81-H84 CarbonylContact O-C 3.59Å; R81-H84 WeakPolarHBondContact O-CA 3.4Å; R81-H84 WeakPolarHBondContact O-CB 3.46Å; R81-H84 PolarHBondContact O-N 3.18Å; K82-H84 PolarHBondContact O-N 3.36Å; H84-F88 AromaticContact CE1-CE1 3.81Å; H84-F88 AromaticContact CE1-CE2 3.64Å; H84-F88 AromaticContact CE1-CZ 3.15Å; H84-F88 WeakPolarHBondContact CE1-CZ 3.38Å; H84-F88 AromaticContact ND1-CD2 3.92Å; H84-F88 AromaticContact ND1-CE2 3.06Å; H84-F88 WeakPolarHBondContact ND1-CE2 3.43Å; H84-F88 AromaticContact ND1-CZ 3.12Å; H84-F88 WeakPolarHBondContact ND1-CZ 3.29Å; H84-F88 WeakPolarHBondContact O-CD2 3.46Å; H84-F88 WeakPolarHBondContact O-CE2 3.19Å |
| 85 | E | 55.5 | Low | 61.9 | Low | 30 Ų | 30 | 78.8 Ų | 78.8 | 14% | 0.14 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -73.6 | -34.9 | 170.7 | -62.7 | 169.3 | 175.8 | 0 | 0 | 112.2 | R81 K82 S83 G87 F88 L89 | R81-E85 WeakPolarHBondContact O-CG 3.48Å; R81-E85 PolarHBondContact O-N 3.31Å; R81-E85 VanDerWaalsContact O-N 3.08Å; K82-E85 WeakPolarHBondContact CG-OE2 3.29Å; K82-E85 WeakPolarHBondContact O-CA 3.39Å; K82-E85 VanDerWaalsContact O-CB 3.24Å; K82-E85 WeakPolarHBondContact O-CB 3.43Å; K82-E85 PolarHBondContact O-N 3.22Å; S83-E85 VanDerWaalsContact C-N 3.28Å; S83-E85 PolarHBondContact O-N 3.25Å; E85-G87 VanDerWaalsContact C-N 3.29Å; E85-G87 PolarHBondContact O-N 3.08Å; E85-F88 PolarHBondContact O-N 3.42Å; E85-L89 PolarHBondContact O-N 3.48Å |
| 86 | T | 60.1 | Low | 62.8 | Low | 97 Ų | 97 | 78.9 Ų | 78.9 | 60% | 0.595 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.8 | -27.9 | 173.7 | 50.5 | 0 | 0 | 0 | 0 | 113 | K82 S83 S90 | K82-T86 PolarHBondContact O-N 3.47Å; K82-T86 VanDerWaalsContact O-N 3.08Å; S83-T86 WeakPolarHBondContact CA-OG1 3.39Å; S83-T86 PolarHBondContact O-N 2.96Å; S83-T86 PolarHBondContact O-OG1 3.08Å; T86-S90 WeakPolarHBondContact O-CB 3.24Å; T86-S90 PolarHBondContact O-N 3.42Å |
| 87 | G | 61.6 | Low | 63.7 | Low | 29 Ų | 29 | 80.4 Ų | 80.4 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S83 E85 L89 S90 W91 | S83-G87 PolarHBondContact O-N 3.42Å; E85-G87 VanDerWaalsContact C-N 3.29Å; E85-G87 PolarHBondContact O-N 3.08Å; G87-L89 PolarHBondContact O-N 2.66Å; G87-S90 WeakPolarHBondContact O-CB 3.22Å; G87-S90 PolarHBondContact O-N 3.23Å; G87-S90 VanDerWaalsContact O-N 3.17Å; G87-W91 PolarHBondContact O-N 3.02Å |
| 88 | F | 65.4 | Low | 64.7 | Low | 29 Ų | 29 | 78.6 Ų | 78.6 | 13% | 0.127 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | -177.4 | -63.8 | -54 | 0 | 0 | 0 | 113.7 | H84 E85 S90 W91 F92 | H84-F88 AromaticContact CE1-CE1 3.81Å; H84-F88 AromaticContact CE1-CE2 3.64Å; H84-F88 AromaticContact CE1-CZ 3.15Å; H84-F88 WeakPolarHBondContact CE1-CZ 3.38Å; H84-F88 AromaticContact ND1-CD2 3.92Å; H84-F88 AromaticContact ND1-CE2 3.06Å; H84-F88 WeakPolarHBondContact ND1-CE2 3.43Å; H84-F88 AromaticContact ND1-CZ 3.12Å; H84-F88 WeakPolarHBondContact ND1-CZ 3.29Å; H84-F88 WeakPolarHBondContact O-CD2 3.46Å; H84-F88 WeakPolarHBondContact O-CE2 3.19Å; E85-F88 PolarHBondContact O-N 3.42Å; F88-S90 VanDerWaalsContact C-N 3.31Å; F88-S90 PolarHBondContact O-N 3.45Å; F88-W91 PolarHBondContact O-N 2.76Å; F88-F92 WeakPolarHBondContact O-CB 3.27Å; F88-F92 PolarHBondContact O-N 3.25Å |
| 89 | L | 66.3 | Low | 65.6 | Low | 67 Ų | 67 | 75.4 Ų | 75.4 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.8 | -32.3 | 175 | -78.4 | 166.3 | 0 | 0 | 0 | 112.3 | E85 G87 R93 Y134 | E85-L89 PolarHBondContact O-N 3.48Å; G87-L89 PolarHBondContact O-N 2.66Å; L89-R93 WeakPolarHBondContact O-CB 3.35Å; L89-R93 WeakPolarHBondContact O-CG 3.22Å; L89-R93 PolarHBondContact O-N 3.5Å; L89-Y134 HydrophobicContact CD1-CE2 4.1Å; L89-Y134 HydrophobicContact CD2-CE2 4.46Å; L89-Y134 HydrophobicContact CG-CD2 4.31Å; L89-Y134 HydrophobicContact CG-CE2 4.24Å |
| 90 | S | 68.3 | Low | 66.7 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.1 | -45.7 | 173.1 | -174.3 | 0 | 0 | 0 | 0 | 111 | T86 G87 F88 F92 R93 N94 | T86-S90 WeakPolarHBondContact O-CB 3.24Å; T86-S90 PolarHBondContact O-N 3.42Å; G87-S90 WeakPolarHBondContact O-CB 3.22Å; G87-S90 PolarHBondContact O-N 3.23Å; G87-S90 VanDerWaalsContact O-N 3.17Å; F88-S90 VanDerWaalsContact C-N 3.31Å; F88-S90 PolarHBondContact O-N 3.45Å; S90-F92 VanDerWaalsContact C-N 3.31Å; S90-F92 PolarHBondContact O-N 2.85Å; S90-R93 PolarHBondContact O-N 2.99Å; S90-N94 VanDerWaalsContact O-CB 3.24Å; S90-N94 WeakPolarHBondContact O-CB 3.1Å; S90-N94 PolarHBondContact O-N 2.79Å; S90-N94 PolarHBondContact O-ND2 3.02Å; S90-N94 PolarHBondContact OG-ND2 3.42Å |
| 91 | W | 70.8 | Confident | 67.8 | Low | 143 Ų | 143 | 70.4 Ų | 70.4 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 174.6 | -79.6 | 57.2 | 0 | 0 | 0 | 112.4 | G87 F88 G95 | G87-W91 PolarHBondContact O-N 3.02Å; F88-W91 PolarHBondContact O-N 2.76Å; W91-G95 PolarHBondContact O-N 2.92Å |
| 92 | F | 71.6 | Confident | 68.5 | Low | 18 Ų | 18 | 64.6 Ų | 64.6 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 174.1 | 179.1 | -95.9 | 0 | 0 | 0 | 112.2 | F88 S90 G95 L96 V127 V159 | F88-F92 WeakPolarHBondContact O-CB 3.27Å; F88-F92 PolarHBondContact O-N 3.25Å; S90-F92 VanDerWaalsContact C-N 3.31Å; S90-F92 PolarHBondContact O-N 2.85Å; F92-G95 PolarHBondContact O-N 3.02Å; F92-L96 HydrophobicContact CD1-CD1 3.85Å; F92-L96 HydrophobicContact CD1-CG 4.47Å; F92-L96 HydrophobicContact CE1-CD1 3.29Å; F92-L96 HydrophobicContact CE1-CG 4.16Å; F92-L96 HydrophobicContact CZ-CD1 3.72Å; F92-L96 HydrophobicContact CZ-CG 4.3Å; F92-L96 WeakPolarHBondContact O-CG 3.43Å; F92-L96 PolarHBondContact O-N 2.68Å; F92-V127 HydrophobicContact CD2-CB 4.35Å; F92-V127 HydrophobicContact CD2-CG1 4.04Å; F92-V127 HydrophobicContact CD2-CG2 4.41Å; F92-V127 HydrophobicContact CE2-CB 4.47Å; F92-V127 HydrophobicContact CE2-CG1 3.7Å; F92-V159 HydrophobicContact CE2-CG1 3.97Å; F92-V159 HydrophobicContact CZ-CG1 3.91Å |
| 93 | R | 78.3 | Confident | 69.3 | Low | 180 Ų | 180 | 61 Ų | 61 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 177.1 | -81.7 | -177.8 | 173.5 | -168.9 | -1.7 | 112.2 | L89 S90 G95 L96 L97 | L89-R93 WeakPolarHBondContact O-CB 3.35Å; L89-R93 WeakPolarHBondContact O-CG 3.22Å; L89-R93 PolarHBondContact O-N 3.5Å; S90-R93 PolarHBondContact O-N 2.99Å; R93-G95 VanDerWaalsContact C-N 3.3Å; R93-G95 PolarHBondContact O-N 3.37Å; R93-L96 PolarHBondContact O-N 2.8Å; R93-L97 WeakPolarHBondContact O-CB 3.28Å; R93-L97 VanDerWaalsContact O-CG 3.3Å; R93-L97 WeakPolarHBondContact O-CG 3.3Å; R93-L97 PolarHBondContact O-N 2.97Å |
| 94 | N | 79.6 | Confident | 70.3 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 48% | 0.476 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 177.5 | -64.4 | -25.9 | 0 | 0 | 0 | 111 | S90 L97 A98 | S90-N94 VanDerWaalsContact O-CB 3.24Å; S90-N94 WeakPolarHBondContact O-CB 3.1Å; S90-N94 PolarHBondContact O-N 2.79Å; S90-N94 PolarHBondContact O-ND2 3.02Å; S90-N94 PolarHBondContact OG-ND2 3.42Å; N94-L97 PolarHBondContact O-N 2.9Å; N94-A98 VanDerWaalsContact O-CB 3.3Å; N94-A98 WeakPolarHBondContact O-CB 3.22Å; N94-A98 PolarHBondContact O-N 3.31Å |
| 95 | G | 76.6 | Confident | 70.8 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W91 F92 R93 A98 T99 G123 | W91-G95 PolarHBondContact O-N 2.92Å; F92-G95 PolarHBondContact O-N 3.02Å; R93-G95 VanDerWaalsContact C-N 3.3Å; R93-G95 PolarHBondContact O-N 3.37Å; G95-A98 PolarHBondContact O-N 2.97Å; G95-T99 PolarHBondContact O-N 3.45Å; G95-T99 PolarHBondContact O-OG1 3.31Å; G95-G123 WeakPolarHBondContact O-CA 3.35Å |
| 96 | L | 75.6 | Confident | 71.1 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 173 | -77.2 | 177.5 | 0 | 0 | 0 | 112.2 | F92 R93 T99 G100 V127 W166 | F92-L96 HydrophobicContact CD1-CD1 3.85Å; F92-L96 HydrophobicContact CD1-CG 4.47Å; F92-L96 HydrophobicContact CE1-CD1 3.29Å; F92-L96 HydrophobicContact CE1-CG 4.16Å; F92-L96 HydrophobicContact CZ-CD1 3.72Å; F92-L96 HydrophobicContact CZ-CG 4.3Å; F92-L96 WeakPolarHBondContact O-CG 3.43Å; F92-L96 PolarHBondContact O-N 2.68Å; R93-L96 PolarHBondContact O-N 2.8Å; L96-T99 WeakPolarHBondContact CA-OG1 3.48Å; L96-T99 PolarHBondContact O-OG1 3.45Å; L96-G100 PolarHBondContact O-N 2.91Å; L96-V127 HydrophobicContact CD2-CG2 3.93Å; L96-V127 HydrophobicContact CG-CG2 3.91Å; L96-W166 HydrophobicContact CD2-CB 4.19Å; L96-W166 HydrophobicContact CD2-CG 4Å |
| 97 | L | 79.6 | Confident | 71.2 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 59% | 0.586 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.7 | -43.6 | 175.2 | -71.3 | 173.9 | 0 | 0 | 0 | 111.3 | R93 N94 T99 G100 I101 | R93-L97 WeakPolarHBondContact O-CB 3.28Å; R93-L97 VanDerWaalsContact O-CG 3.3Å; R93-L97 WeakPolarHBondContact O-CG 3.3Å; R93-L97 PolarHBondContact O-N 2.97Å; N94-L97 PolarHBondContact O-N 2.9Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 3.42Å; L97-G100 PolarHBondContact O-N 3.07Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.44Å; L97-I101 PolarHBondContact O-N 3.19Å |
| 98 | A | 78.1 | Confident | 71.2 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N94 G95 I101 G102 | N94-A98 VanDerWaalsContact O-CB 3.3Å; N94-A98 WeakPolarHBondContact O-CB 3.22Å; N94-A98 PolarHBondContact O-N 3.31Å; G95-A98 PolarHBondContact O-N 2.97Å; A98-I101 PolarHBondContact O-N 3.26Å; A98-G102 PolarHBondContact O-N 3.4Å |
| 99 | T | 74.7 | Confident | 70.7 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 174.9 | 40.9 | 0 | 0 | 0 | 0 | 113.3 | G95 L96 L97 I101 G102 V103 F120 W166 | G95-T99 PolarHBondContact O-N 3.45Å; G95-T99 PolarHBondContact O-OG1 3.31Å; L96-T99 WeakPolarHBondContact CA-OG1 3.48Å; L96-T99 PolarHBondContact O-OG1 3.45Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 3.42Å; T99-I101 VanDerWaalsContact C-N 3.31Å; T99-I101 PolarHBondContact O-N 3.17Å; T99-G102 PolarHBondContact O-N 3.4Å; T99-G102 VanDerWaalsContact O-N 3.15Å; T99-V103 WeakPolarHBondContact O-CG2 3.3Å; T99-V103 PolarHBondContact O-N 2.8Å; T99-F120 HydrophobicContact CG2-CD1 3.97Å; T99-F120 HydrophobicContact CG2-CE1 4.3Å; T99-W166 HydrophobicContact CG2-CZ2 3.5Å; T99-W166 PolarHBondContact OG1-NE1 2.85Å |
| 100 | G | 73.4 | Confident | 70.3 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L96 L97 G102 V103 I104 | L96-G100 PolarHBondContact O-N 2.91Å; L97-G100 PolarHBondContact O-N 3.07Å; G100-G102 VanDerWaalsContact C-N 3.35Å; G100-V103 PolarHBondContact O-N 3.44Å; G100-I104 WeakPolarHBondContact O-CD1 3.24Å; G100-I104 VanDerWaalsContact O-CG1 3.29Å; G100-I104 WeakPolarHBondContact O-CG1 3.49Å; G100-I104 PolarHBondContact O-N 2.86Å; G100-I104 VanDerWaalsContact O-N 3.08Å |
| 101 | I | 74.6 | Confident | 69.6 | Low | 97 Ų | 97 | 74.6 Ų | 74.6 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 173.4 | -65.9 | 162.2 | 0 | 0 | 0 | 110.6 | L97 A98 T99 V103 I104 A105 | L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.44Å; L97-I101 PolarHBondContact O-N 3.19Å; A98-I101 PolarHBondContact O-N 3.26Å; T99-I101 VanDerWaalsContact C-N 3.31Å; T99-I101 PolarHBondContact O-N 3.17Å; I101-V103 PolarHBondContact O-N 3.48Å; I101-I104 PolarHBondContact O-N 2.9Å; I101-A105 VanDerWaalsContact O-CB 3.26Å; I101-A105 WeakPolarHBondContact O-CB 3.39Å; I101-A105 PolarHBondContact O-N 3.4Å |
| 102 | G | 72.6 | Confident | 69 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | A98 T99 G100 F106 | A98-G102 PolarHBondContact O-N 3.4Å; T99-G102 PolarHBondContact O-N 3.4Å; T99-G102 VanDerWaalsContact O-N 3.15Å; G100-G102 VanDerWaalsContact C-N 3.35Å; G102-F106 WeakPolarHBondContact O-CB 3.48Å; G102-F106 PolarHBondContact O-N 2.92Å; G102-F106 VanDerWaalsContact O-N 3.17Å |
| 103 | V | 67.8 | Low | 68.5 | Low | 54 Ų | 54 | 71.1 Ų | 71.1 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | T99 G100 I101 V107 F120 | T99-V103 WeakPolarHBondContact O-CG2 3.3Å; T99-V103 PolarHBondContact O-N 2.8Å; G100-V103 PolarHBondContact O-N 3.44Å; I101-V103 PolarHBondContact O-N 3.48Å; V103-V107 WeakPolarHBondContact O-CG2 3.06Å; V103-V107 PolarHBondContact O-N 3.29Å; V103-F120 HydrophobicContact CG2-CE1 4.45Å; V103-F120 HydrophobicContact CG2-CE2 3.62Å; V103-F120 HydrophobicContact CG2-CZ 3.39Å |
| 104 | I | 70.2 | Confident | 67.9 | Low | 99 Ų | 99 | 70.2 Ų | 70.2 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.3 | -39.3 | -179.5 | -63.4 | 162.5 | 0 | 0 | 0 | 111.2 | G100 I101 F106 V107 | G100-I104 WeakPolarHBondContact O-CD1 3.24Å; G100-I104 VanDerWaalsContact O-CG1 3.29Å; G100-I104 WeakPolarHBondContact O-CG1 3.49Å; G100-I104 PolarHBondContact O-N 2.86Å; G100-I104 VanDerWaalsContact O-N 3.08Å; I101-I104 PolarHBondContact O-N 2.9Å; I104-F106 VanDerWaalsContact C-N 3.27Å; I104-F106 PolarHBondContact O-N 2.93Å; I104-V107 PolarHBondContact O-N 3.38Å |
| 105 | A | 66.4 | Low | 67.3 | Low | 28 Ų | 28 | 67.9 Ų | 67.9 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I101 Q108 | I101-A105 VanDerWaalsContact O-CB 3.26Å; I101-A105 WeakPolarHBondContact O-CB 3.39Å; I101-A105 PolarHBondContact O-N 3.4Å; A105-Q108 PolarHBondContact O-N 3.03Å |
| 106 | F | 61.5 | Low | 66.9 | Low | 48 Ų | 48 | 67.9 Ų | 67.9 | 21% | 0.211 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 173.8 | 174.5 | -98.5 | 0 | 0 | 0 | 113.2 | G102 I104 Q108 R113 Y173 L177 | G102-F106 WeakPolarHBondContact O-CB 3.48Å; G102-F106 PolarHBondContact O-N 2.92Å; G102-F106 VanDerWaalsContact O-N 3.17Å; I104-F106 VanDerWaalsContact C-N 3.27Å; I104-F106 PolarHBondContact O-N 2.93Å; F106-Q108 PolarHBondContact O-N 3.17Å; F106-R113 HydrophobicContact CD2-CB 4.36Å; F106-R113 HydrophobicContact CD2-CG 4.25Å; F106-R113 HydrophobicContact CE2-CG 4.05Å; F106-Y173 HydrophobicContact CB-CE2 3.64Å; F106-Y173 AromaticContact CD1-CD2 4Å; F106-Y173 HydrophobicContact CD1-CD2 4Å; F106-Y173 AromaticContact CD1-CE2 3.56Å; F106-Y173 HydrophobicContact CD1-CE2 3.56Å; F106-Y173 AromaticContact CD2-CE2 3.51Å; F106-Y173 HydrophobicContact CD2-CE2 3.51Å; F106-Y173 AromaticContact CD2-CZ 3.69Å; F106-Y173 VanDerWaalsContact CD2-OH 3.28Å; F106-Y173 WeakPolarHBondContact CD2-OH 3.41Å; F106-Y173 HydrophobicContact CE1-CD2 4.23Å; F106-Y173 HydrophobicContact CE1-CE2 4.02Å; F106-Y173 AromaticContact CE2-CE2 3.98Å; F106-Y173 HydrophobicContact CE2-CE2 3.98Å; F106-Y173 HydrophobicContact CG-CD2 4.19Å; F106-Y173 AromaticContact CG-CE2 3.29Å; F106-Y173 HydrophobicContact CG-CE2 3.29Å; F106-Y173 AromaticContact CG-CZ 3.95Å; F106-Y173 HydrophobicContact CZ-CE2 4.22Å; F106-L177 HydrophobicContact CE2-CD1 3.82Å; F106-L177 HydrophobicContact CZ-CD1 4.19Å |
| 107 | V | 63 | Low | 66.6 | Low | 116 Ų | 116 | 70.2 Ų | 70.2 | 70% | 0.703 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -72.1 | -17.1 | -178.6 | 174.2 | 0 | 0 | 0 | 0 | 112.6 | V103 I104 | V103-V107 WeakPolarHBondContact O-CG2 3.06Å; V103-V107 PolarHBondContact O-N 3.29Å; I104-V107 PolarHBondContact O-N 3.38Å |
| 108 | Q | 61.7 | Low | 66.5 | Low | 158 Ų | 158 | 67.8 Ų | 67.8 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -96 | -19.5 | -171.3 | -72.3 | -172.8 | 14.4 | 0 | 0 | 115.6 | A105 F106 | A105-Q108 PolarHBondContact O-N 3.03Å; F106-Q108 PolarHBondContact O-N 3.17Å |
| 109 | S | 55.2 | Low | 66.2 | Low | 64 Ų | 64 | 70.6 Ų | 70.6 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | trans | -172.5 | 151.7 | -180 | -178 | 0 | 0 | 0 | 0 | 113.4 | V111 G112 | S109-V111 PolarHBondContact O-N 3.5Å; S109-V111 VanDerWaalsContact O-N 3.12Å; S109-V111 PolarHBondContact OG-N 2.89Å; S109-G112 WeakPolarHBondContact O-CA 3.4Å; S109-G112 PolarHBondContact O-N 3.44Å | ||
| 110 | E | 56.5 | Low | 66.2 | Low | 134 Ų | 134 | 71.3 Ų | 71.3 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -30.4 | 167.7 | -64 | -58.9 | 149.5 | 0 | 0 | 113.8 | G112 R113 | E110-G112 VanDerWaalsContact C-N 3.35Å; E110-R113 WeakPolarHBondContact O-CB 3.02Å |
| 111 | V | 54.8 | Low | 66.5 | Low | 120 Ų | 120 | 75.7 Ų | 75.7 | 73% | 0.727 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -18.6 | 177.1 | -155.1 | 0 | 0 | 0 | 0 | 112 | S109 R113 | S109-V111 PolarHBondContact O-N 3.5Å; S109-V111 VanDerWaalsContact O-N 3.12Å; S109-V111 PolarHBondContact OG-N 2.89Å; V111-R113 VanDerWaalsContact C-N 3.28Å |
| 112 | G | 57.8 | Low | 66.7 | Low | 11 Ų | 11 | 75.9 Ų | 75.9 | 11% | 0.113 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -76.5 | -13.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S109 E110 G116 | S109-G112 WeakPolarHBondContact O-CA 3.4Å; S109-G112 PolarHBondContact O-N 3.44Å; E110-G112 VanDerWaalsContact C-N 3.35Å; G112-G116 PolarHBondContact O-N 2.91Å |
| 113 | R | 61.7 | Low | 66.8 | Low | 78 Ų | 78 | 75.9 Ų | 75.9 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.9 | -47.9 | 179.2 | -172 | 166.7 | 67.8 | 167.8 | 3.1 | 112.2 | F106 E110 V111 G116 Y117 | F106-R113 HydrophobicContact CD2-CB 4.36Å; F106-R113 HydrophobicContact CD2-CG 4.25Å; F106-R113 HydrophobicContact CE2-CG 4.05Å; E110-R113 WeakPolarHBondContact O-CB 3.02Å; V111-R113 VanDerWaalsContact C-N 3.28Å; R113-G116 PolarHBondContact O-N 3.23Å; R113-Y117 HydrophobicContact CG-CE2 4.04Å; R113-Y117 WeakPolarHBondContact O-CD2 3.49Å; R113-Y117 PolarHBondContact O-N 3.44Å |
| 114 | E | 65.3 | Low | 67.2 | Low | 161 Ų | 161 | 73.8 Ų | 73.8 | 75% | 0.752 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.5 | -40.1 | 177.1 | -68 | -162.6 | 171.6 | 0 | 0 | 112.5 | G116 Y117 | E114-G116 VanDerWaalsContact C-N 3.34Å; E114-Y117 PolarHBondContact O-N 2.83Å |
| 115 | A | 66.6 | Low | 67.5 | Low | 40 Ų | 40 | 73.6 Ų | 73.6 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y117 A118 F119 | A115-Y117 VanDerWaalsContact C-N 3.32Å; A115-Y117 PolarHBondContact O-N 3.38Å; A115-A118 PolarHBondContact O-N 3.34Å; A115-F119 HydrophobicContact CB-CD2 4.48Å; A115-F119 HydrophobicContact CB-CE2 4.29Å; A115-F119 WeakPolarHBondContact O-CD2 3.26Å; A115-F119 PolarHBondContact O-N 2.81Å; A115-F119 VanDerWaalsContact O-N 3.09Å |
| 116 | G | 68.3 | Low | 68 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | G112 R113 E114 F119 F120 | G112-G116 PolarHBondContact O-N 2.91Å; R113-G116 PolarHBondContact O-N 3.23Å; E114-G116 VanDerWaalsContact C-N 3.34Å; G116-F119 PolarHBondContact O-N 2.88Å; G116-F120 WeakPolarHBondContact O-CB 3.39Å; G116-F120 PolarHBondContact O-N 3.08Å |
| 117 | Y | 69.6 | Low | 68.8 | Low | 101 Ų | 101 | 71.6 Ų | 71.6 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.2 | -69.4 | -62.8 | 0 | 0 | 0 | 113 | R113 E114 A115 F119 F120 I121 Y173 L177 | R113-Y117 HydrophobicContact CG-CE2 4.04Å; R113-Y117 WeakPolarHBondContact O-CD2 3.49Å; R113-Y117 PolarHBondContact O-N 3.44Å; E114-Y117 PolarHBondContact O-N 2.83Å; A115-Y117 VanDerWaalsContact C-N 3.32Å; A115-Y117 PolarHBondContact O-N 3.38Å; Y117-F119 VanDerWaalsContact C-N 3.35Å; Y117-F119 PolarHBondContact O-N 2.9Å; Y117-F120 PolarHBondContact O-N 3.36Å; Y117-I121 WeakPolarHBondContact O-CG1 3.15Å; Y117-I121 PolarHBondContact O-N 2.83Å; Y117-Y173 HydrophobicContact CE1-CE1 4.37Å; Y117-L177 HydrophobicContact CE1-CD1 4.28Å; Y117-L177 WeakPolarHBondContact OH-CD1 3.32Å; Y117-L177 WeakPolarHBondContact OH-CD2 3.12Å |
| 118 | A | 76.3 | Confident | 69.4 | Low | 61 Ų | 61 | 69.7 Ų | 69.7 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | A115 F120 L122 | A115-A118 PolarHBondContact O-N 3.34Å; A118-F120 VanDerWaalsContact C-N 3.33Å; A118-F120 PolarHBondContact O-N 3.46Å; A118-L122 WeakPolarHBondContact O-CB 3.29Å; A118-L122 PolarHBondContact O-N 3.38Å |
| 119 | F | 73.3 | Confident | 70.1 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.7 | -32.3 | 175.9 | -72.5 | -60.5 | 0 | 0 | 0 | 112.9 | A115 G116 Y117 G123 | A115-F119 HydrophobicContact CB-CD2 4.48Å; A115-F119 HydrophobicContact CB-CE2 4.29Å; A115-F119 WeakPolarHBondContact O-CD2 3.26Å; A115-F119 PolarHBondContact O-N 2.81Å; A115-F119 VanDerWaalsContact O-N 3.09Å; G116-F119 PolarHBondContact O-N 2.88Å; Y117-F119 VanDerWaalsContact C-N 3.35Å; Y117-F119 PolarHBondContact O-N 2.9Å; F119-G123 PolarHBondContact O-N 2.87Å |
| 120 | F | 74.8 | Confident | 71 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 8% | 0.075 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.2 | -48.4 | 174.4 | -105.7 | -64.4 | 0 | 0 | 0 | 113.2 | T99 V103 G116 Y117 A118 G124 W166 V170 Y173 | T99-F120 HydrophobicContact CG2-CD1 3.97Å; T99-F120 HydrophobicContact CG2-CE1 4.3Å; V103-F120 HydrophobicContact CG2-CE1 4.45Å; V103-F120 HydrophobicContact CG2-CE2 3.62Å; V103-F120 HydrophobicContact CG2-CZ 3.39Å; G116-F120 WeakPolarHBondContact O-CB 3.39Å; G116-F120 PolarHBondContact O-N 3.08Å; Y117-F120 PolarHBondContact O-N 3.36Å; A118-F120 VanDerWaalsContact C-N 3.33Å; A118-F120 PolarHBondContact O-N 3.46Å; F120-G124 WeakPolarHBondContact O-CA 3.47Å; F120-G124 PolarHBondContact O-N 3.21Å; F120-W166 AromaticContact CD1-CZ2 4Å; F120-W166 HydrophobicContact CD1-CZ2 4Å; F120-W166 HydrophobicContact CE1-CZ2 4.14Å; F120-V170 HydrophobicContact CD1-CG1 3.94Å; F120-V170 HydrophobicContact CD1-CG2 3.97Å; F120-V170 HydrophobicContact CE1-CB 3.87Å; F120-V170 HydrophobicContact CE1-CG1 3.7Å; F120-V170 HydrophobicContact CE1-CG2 3.24Å; F120-V170 HydrophobicContact CZ-CB 4.37Å; F120-V170 HydrophobicContact CZ-CG1 4.27Å; F120-V170 HydrophobicContact CZ-CG2 4.07Å; F120-Y173 HydrophobicContact CD2-CD1 4.15Å; F120-Y173 AromaticContact CD2-CE1 3.81Å; F120-Y173 HydrophobicContact CD2-CE1 3.81Å; F120-Y173 HydrophobicContact CD2-CE2 4.34Å; F120-Y173 AromaticContact CD2-CZ 3.93Å; F120-Y173 AromaticContact CE2-CD1 3.69Å; F120-Y173 HydrophobicContact CE2-CD1 3.69Å; F120-Y173 AromaticContact CE2-CD2 3.77Å; F120-Y173 HydrophobicContact CE2-CD2 3.77Å; F120-Y173 AromaticContact CE2-CE1 3.74Å; F120-Y173 HydrophobicContact CE2-CE1 3.74Å; F120-Y173 AromaticContact CE2-CE2 3.75Å; F120-Y173 HydrophobicContact CE2-CE2 3.75Å; F120-Y173 AromaticContact CE2-CG 3.74Å; F120-Y173 HydrophobicContact CE2-CG 3.74Å; F120-Y173 AromaticContact CE2-CZ 3.77Å; F120-Y173 HydrophobicContact CZ-CD1 4.26Å; F120-Y173 HydrophobicContact CZ-CD2 4.41Å; F120-Y173 HydrophobicContact CZ-CG 4.14Å |
| 121 | I | 78 | Confident | 71.7 | Confident | 123 Ų | 123 | 58.6 Ų | 58.6 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.3 | -46.4 | 178.2 | -65.6 | -71 | 0 | 0 | 0 | 109.7 | Y117 G124 V125 | Y117-I121 WeakPolarHBondContact O-CG1 3.15Å; Y117-I121 PolarHBondContact O-N 2.83Å; I121-G124 PolarHBondContact O-N 2.91Å; I121-V125 VanDerWaalsContact O-CG2 3.3Å; I121-V125 WeakPolarHBondContact O-CG2 3.34Å; I121-V125 PolarHBondContact O-N 2.97Å |
| 122 | L | 79.4 | Confident | 72.5 | Confident | 102 Ų | 102 | 56 Ų | 56 | 53% | 0.534 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 179.2 | -175.6 | 67.2 | 0 | 0 | 0 | 111.6 | A118 C126 | A118-L122 WeakPolarHBondContact O-CB 3.29Å; A118-L122 PolarHBondContact O-N 3.38Å; L122-C126 WeakPolarHBondContact O-CB 3.34Å; L122-C126 PolarHBondContact O-N 3.28Å |
| 123 | G | 75 | Confident | 73.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.7 | -35.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G95 F119 C126 V127 | G95-G123 WeakPolarHBondContact O-CA 3.35Å; F119-G123 PolarHBondContact O-N 2.87Å; G123-C126 PolarHBondContact O-N 2.88Å; G123-V127 VanDerWaalsContact O-CB 3.23Å; G123-V127 WeakPolarHBondContact O-CB 3.29Å; G123-V127 WeakPolarHBondContact O-CG2 3.47Å; G123-V127 PolarHBondContact O-N 2.86Å |
| 124 | G | 75.5 | Confident | 73.6 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F120 I121 S128 | F120-G124 WeakPolarHBondContact O-CA 3.47Å; F120-G124 PolarHBondContact O-N 3.21Å; I121-G124 PolarHBondContact O-N 2.91Å; G124-S128 WeakPolarHBondContact O-CB 3.34Å; G124-S128 PolarHBondContact O-N 3.45Å; G124-S128 PolarHBondContact O-OG 2.87Å |
| 125 | V | 76.9 | Confident | 73.9 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 173.7 | 174 | 0 | 0 | 0 | 0 | 110.7 | I121 S128 F129 | I121-V125 VanDerWaalsContact O-CG2 3.3Å; I121-V125 WeakPolarHBondContact O-CG2 3.34Å; I121-V125 PolarHBondContact O-N 2.97Å; V125-S128 PolarHBondContact O-N 3.44Å; V125-F129 WeakPolarHBondContact O-CB 3.15Å; V125-F129 PolarHBondContact O-N 3.42Å |
| 126 | C | 78 | Confident | 74.2 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.9 | -95.8 | 0 | 0 | 0 | 0 | 113.3 | L122 G123 G130 | L122-C126 WeakPolarHBondContact O-CB 3.34Å; L122-C126 PolarHBondContact O-N 3.28Å; G123-C126 PolarHBondContact O-N 2.88Å; C126-G130 WeakPolarHBondContact O-CA 3.47Å; C126-G130 PolarHBondContact O-N 3.3Å |
| 127 | V | 77.6 | Confident | 74 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 177.5 | 165.2 | 0 | 0 | 0 | 0 | 110.6 | F92 L96 G123 G131 | F92-V127 HydrophobicContact CD2-CB 4.35Å; F92-V127 HydrophobicContact CD2-CG1 4.04Å; F92-V127 HydrophobicContact CD2-CG2 4.41Å; F92-V127 HydrophobicContact CE2-CB 4.47Å; F92-V127 HydrophobicContact CE2-CG1 3.7Å; L96-V127 HydrophobicContact CD2-CG2 3.93Å; L96-V127 HydrophobicContact CG-CG2 3.91Å; G123-V127 VanDerWaalsContact O-CB 3.23Å; G123-V127 WeakPolarHBondContact O-CB 3.29Å; G123-V127 WeakPolarHBondContact O-CG2 3.47Å; G123-V127 PolarHBondContact O-N 2.86Å; V127-G131 WeakPolarHBondContact O-CA 3.47Å; V127-G131 PolarHBondContact O-N 3.49Å |
| 128 | S | 75.6 | Confident | 73.9 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.4 | -45.8 | -179.5 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | G124 V125 A132 | G124-S128 WeakPolarHBondContact O-CB 3.34Å; G124-S128 PolarHBondContact O-N 3.45Å; G124-S128 PolarHBondContact O-OG 2.87Å; V125-S128 PolarHBondContact O-N 3.44Å; S128-A132 WeakPolarHBondContact O-CB 3.33Å; S128-A132 PolarHBondContact O-N 3.46Å |
| 129 | F | 76.6 | Confident | 73.4 | Confident | 115 Ų | 115 | 52.1 Ų | 52.1 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.5 | -48 | 177.7 | -176.2 | -103.7 | 0 | 0 | 0 | 111.3 | V125 G131 A132 S133 | V125-F129 WeakPolarHBondContact O-CB 3.15Å; V125-F129 PolarHBondContact O-N 3.42Å; F129-G131 PolarHBondContact O-N 3.28Å; F129-A132 PolarHBondContact O-N 2.87Å; F129-S133 WeakPolarHBondContact O-CB 3.34Å; F129-S133 PolarHBondContact O-N 2.92Å; F129-S133 PolarHBondContact O-OG 2.85Å |
| 130 | G | 73.1 | Confident | 73 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C126 Y134 | C126-G130 WeakPolarHBondContact O-CA 3.47Å; C126-G130 PolarHBondContact O-N 3.3Å; G130-Y134 WeakPolarHBondContact O-CB 3.47Å; G130-Y134 PolarHBondContact O-N 2.85Å |
| 131 | G | 70.7 | Confident | 72.4 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.4 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V127 F129 Y134 I135 | V127-G131 WeakPolarHBondContact O-CA 3.47Å; V127-G131 PolarHBondContact O-N 3.49Å; F129-G131 PolarHBondContact O-N 3.28Å; G131-Y134 PolarHBondContact O-N 3.43Å; G131-I135 WeakPolarHBondContact O-CG1 3.3Å; G131-I135 PolarHBondContact O-N 3.02Å |
| 132 | A | 72.9 | Confident | 71.6 | Confident | 66 Ų | 66 | 51.1 Ų | 51.1 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S128 F129 Y134 I135 G136 | S128-A132 WeakPolarHBondContact O-CB 3.33Å; S128-A132 PolarHBondContact O-N 3.46Å; F129-A132 PolarHBondContact O-N 2.87Å; A132-Y134 VanDerWaalsContact C-N 3.34Å; A132-I135 PolarHBondContact O-N 3.02Å; A132-G136 PolarHBondContact O-N 3.42Å |
| 133 | S | 70.8 | Confident | 70.8 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 174.6 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | F129 G136 S137 | F129-S133 WeakPolarHBondContact O-CB 3.34Å; F129-S133 PolarHBondContact O-N 2.92Å; F129-S133 PolarHBondContact O-OG 2.85Å; S133-G136 PolarHBondContact O-N 2.91Å; S133-S137 WeakPolarHBondContact O-CB 3.47Å; S133-S137 PolarHBondContact O-N 3.37Å |
| 134 | Y | 71.3 | Confident | 69.7 | Low | 27 Ų | 27 | 62.7 Ų | 62.7 | 11% | 0.106 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 173.2 | -177.3 | -110.7 | 0 | 0 | 0 | 111.9 | L89 G130 G131 A132 G136 S137 L138 V159 | L89-Y134 HydrophobicContact CD1-CE2 4.1Å; L89-Y134 HydrophobicContact CD2-CE2 4.46Å; L89-Y134 HydrophobicContact CG-CD2 4.31Å; L89-Y134 HydrophobicContact CG-CE2 4.24Å; G130-Y134 WeakPolarHBondContact O-CB 3.47Å; G130-Y134 PolarHBondContact O-N 2.85Å; G131-Y134 PolarHBondContact O-N 3.43Å; A132-Y134 VanDerWaalsContact C-N 3.34Å; Y134-G136 VanDerWaalsContact C-N 3.32Å; Y134-G136 PolarHBondContact O-N 3.01Å; Y134-S137 PolarHBondContact O-N 2.86Å; Y134-L138 HydrophobicContact CD1-CD1 3.64Å; Y134-L138 HydrophobicContact CE1-CD1 3.31Å; Y134-L138 HydrophobicContact CE1-CG 4.27Å; Y134-L138 HydrophobicContact CE2-CD1 4.34Å; Y134-L138 HydrophobicContact CE2-CG 4.47Å; Y134-L138 HydrophobicContact CG-CD1 4.28Å; Y134-L138 VanDerWaalsContact O-CB 3.3Å; Y134-L138 WeakPolarHBondContact O-CB 3.41Å; Y134-L138 VanDerWaalsContact O-CG 3.28Å; Y134-L138 WeakPolarHBondContact O-CG 3.48Å; Y134-L138 PolarHBondContact O-N 2.88Å; Y134-V159 HydrophobicContact CD1-CG2 4.4Å; Y134-V159 HydrophobicContact CE1-CG2 4.18Å |
| 135 | I | 71.1 | Confident | 68.7 | Low | 97 Ų | 97 | 67.8 Ų | 67.8 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.2 | -67.1 | 169.8 | 0 | 0 | 0 | 111.2 | G131 A132 L138 F139 | G131-I135 WeakPolarHBondContact O-CG1 3.3Å; G131-I135 PolarHBondContact O-N 3.02Å; A132-I135 PolarHBondContact O-N 3.02Å; I135-L138 WeakPolarHBondContact O-CB 3.21Å; I135-L138 PolarHBondContact O-N 3.35Å; I135-F139 WeakPolarHBondContact O-CB 3.25Å; I135-F139 PolarHBondContact O-N 2.8Å |
| 136 | G | 72.6 | Confident | 67.5 | Low | 39 Ų | 39 | 71.6 Ų | 71.6 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A132 S133 Y134 F139 A140 | A132-G136 PolarHBondContact O-N 3.42Å; S133-G136 PolarHBondContact O-N 2.91Å; Y134-G136 VanDerWaalsContact C-N 3.32Å; Y134-G136 PolarHBondContact O-N 3.01Å; G136-F139 PolarHBondContact O-N 3.48Å; G136-A140 WeakPolarHBondContact O-CB 3.38Å; G136-A140 PolarHBondContact O-N 2.83Å |
| 137 | S | 65.9 | Low | 66.2 | Low | 18 Ų | 18 | 75.7 Ų | 75.7 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 175.2 | -165.6 | 0 | 0 | 0 | 0 | 111.5 | S133 Y134 F139 A140 L141 | S133-S137 WeakPolarHBondContact O-CB 3.47Å; S133-S137 PolarHBondContact O-N 3.37Å; Y134-S137 PolarHBondContact O-N 2.86Å; S137-F139 VanDerWaalsContact C-N 3.32Å; S137-F139 PolarHBondContact O-N 3.38Å; S137-A140 PolarHBondContact O-N 2.94Å; S137-L141 PolarHBondContact O-N 3.12Å |
| 138 | L | 66.3 | Low | 65.3 | Low | 31 Ų | 31 | 78.6 Ų | 78.6 | 16% | 0.162 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 174.6 | -82.3 | 176.6 | 0 | 0 | 0 | 112.5 | Y134 I135 R142 L152 | Y134-L138 HydrophobicContact CD1-CD1 3.64Å; Y134-L138 HydrophobicContact CE1-CD1 3.31Å; Y134-L138 HydrophobicContact CE1-CG 4.27Å; Y134-L138 HydrophobicContact CE2-CD1 4.34Å; Y134-L138 HydrophobicContact CE2-CG 4.47Å; Y134-L138 HydrophobicContact CG-CD1 4.28Å; Y134-L138 VanDerWaalsContact O-CB 3.3Å; Y134-L138 WeakPolarHBondContact O-CB 3.41Å; Y134-L138 VanDerWaalsContact O-CG 3.28Å; Y134-L138 WeakPolarHBondContact O-CG 3.48Å; Y134-L138 PolarHBondContact O-N 2.88Å; I135-L138 WeakPolarHBondContact O-CB 3.21Å; I135-L138 PolarHBondContact O-N 3.35Å; L138-R142 PolarHBondContact O-N 3.31Å; L138-L152 HydrophobicContact CB-CD1 3.42Å; L138-L152 VanDerWaalsContact CB-CD1 3.42Å; L138-L152 HydrophobicContact CD1-CD1 3.96Å; L138-L152 HydrophobicContact CD2-CD1 3.42Å; L138-L152 VanDerWaalsContact CD2-CD1 3.42Å; L138-L152 HydrophobicContact CG-CD1 3.74Å |
| 139 | F | 66.6 | Low | 64.3 | Low | 128 Ų | 128 | 78 Ų | 78 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -69.7 | -38.7 | 175.4 | -170.9 | -97.7 | 0 | 0 | 0 | 112.6 | I135 G136 S137 R142 R143 | I135-F139 WeakPolarHBondContact O-CB 3.25Å; I135-F139 PolarHBondContact O-N 2.8Å; G136-F139 PolarHBondContact O-N 3.48Å; S137-F139 VanDerWaalsContact C-N 3.32Å; S137-F139 PolarHBondContact O-N 3.38Å; F139-R142 WeakPolarHBondContact O-CB 3.29Å; F139-R142 PolarHBondContact O-N 3.36Å; F139-R143 PolarHBondContact O-N 3.42Å |
| 140 | A | 64.9 | Low | 63.4 | Low | 31 Ų | 31 | 76.3 Ų | 76.3 | 26% | 0.256 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | G136 S137 R143 L144 | G136-A140 WeakPolarHBondContact O-CB 3.38Å; G136-A140 PolarHBondContact O-N 2.83Å; S137-A140 PolarHBondContact O-N 2.94Å; A140-R143 PolarHBondContact O-N 2.83Å; A140-L144 WeakPolarHBondContact O-CG 3.21Å; A140-L144 PolarHBondContact O-N 3.26Å |
| 141 | L | 60.9 | Low | 62.8 | Low | 45 Ų | 45 | 78.7 Ų | 78.7 | 24% | 0.236 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 173.9 | -111.1 | 73.2 | 0 | 0 | 0 | 111.7 | S137 R143 L144 M145 | S137-L141 PolarHBondContact O-N 3.12Å; L141-R143 VanDerWaalsContact C-N 3.28Å; L141-R143 PolarHBondContact O-N 2.87Å; L141-L144 PolarHBondContact O-N 3.44Å; L141-M145 PolarHBondContact O-N 3.31Å |
| 142 | R | 62.8 | Low | 62.4 | Low | 123 Ų | 123 | 80.3 Ų | 80.3 | 46% | 0.464 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 175.5 | -178 | -175.2 | -179.1 | -175.4 | 1.5 | 111.9 | L138 F139 L144 L146 | L138-R142 PolarHBondContact O-N 3.31Å; F139-R142 WeakPolarHBondContact O-CB 3.29Å; F139-R142 PolarHBondContact O-N 3.36Å; R142-L144 PolarHBondContact O-N 3.19Å; R142-L146 PolarHBondContact O-N 3.17Å |
| 143 | R | 61.5 | Low | 61.7 | Low | 219 Ų | 219 | 82.3 Ų | 82.3 | 83% | 0.826 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68 | -24.9 | -177.9 | -150.3 | -178.1 | -169.1 | -166.7 | 3.9 | 112.7 | F139 A140 L141 | F139-R143 PolarHBondContact O-N 3.42Å; A140-R143 PolarHBondContact O-N 2.83Å; L141-R143 VanDerWaalsContact C-N 3.28Å; L141-R143 PolarHBondContact O-N 2.87Å |
| 144 | L | 53 | Low | 61.7 | Low | 125 Ų | 125 | 86.3 Ų | 86.3 | 65% | 0.654 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -97.3 | -27 | -177.1 | -68.3 | 171.6 | 0 | 0 | 0 | 113.6 | A140 L141 R142 | A140-L144 WeakPolarHBondContact O-CG 3.21Å; A140-L144 PolarHBondContact O-N 3.26Å; L141-L144 PolarHBondContact O-N 3.44Å; R142-L144 PolarHBondContact O-N 3.19Å |
| 145 | M | 52.8 | Low | 61.6 | Low | 117 Ų | 117 | 89.7 Ų | 89.7 | 58% | 0.576 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -128.5 | 5.8 | -163.5 | -131.8 | -173.7 | 171.5 | 0 | 0 | 117.6 | L141 L147 | L141-M145 PolarHBondContact O-N 3.31Å; M145-L147 PolarHBondContact O-N 3.45Å; M145-L147 HydrophobicContact SD-CD1 4.23Å |
| 146 | L | 52.5 | Low | 61.4 | Low | 175 Ų | 175 | 86.2 Ų | 86.2 | 92% | 0.916 | 46% | 0.46 | S | S | * | . | trans | 47.6 | 25.7 | 178.3 | -84.7 | 170.4 | 0 | 0 | 0 | 114.3 | R142 | R142-L146 PolarHBondContact O-N 3.17Š| ||
| 147 | L | 51.4 | Low | 61.1 | Low | 112 Ų | 112 | 88 Ų | 88 | 59% | 0.586 | 46% | 0.463 | S | S | * | . | trans | -72.2 | 151.2 | -176.5 | -137.4 | 99 | 0 | 0 | 0 | 110.5 | M145 V149 | M145-L147 PolarHBondContact O-N 3.45Å; M145-L147 HydrophobicContact SD-CD1 4.23Å; L147-V149 PolarHBondContact O-N 2.98Å; L147-V149 VanDerWaalsContact O-N 3.16Å | ||
| 148 | S | 57.7 | Low | 61.5 | Low | 70 Ų | 70 | 91.2 Ų | 91.2 | 49% | 0.49 | 48% | 0.481 | S | S | . | . | trans | -55.8 | 115.7 | -171.7 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | P150 A151 | S148-P150 VanDerWaalsContact C-N 3.26Å; S148-P150 VanDerWaalsContact O-N 3.14Å; S148-A151 PolarHBondContact O-N 2.81Å | ||
| 149 | V | 55.6 | Low | 61.9 | Low | 62 Ų | 62 | 90.6 Ų | 90.6 | 38% | 0.376 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -41.2 | -37.7 | 169.7 | -177.5 | 0 | 0 | 0 | 0 | 115.2 | L147 L152 L153 | L147-V149 PolarHBondContact O-N 2.98Å; L147-V149 VanDerWaalsContact O-N 3.16Å; V149-L152 WeakPolarHBondContact O-CB 3.46Å; V149-L152 PolarHBondContact O-N 2.73Å; V149-L153 HydrophobicContact CG1-CD1 3.8Å; V149-L153 HydrophobicContact CG1-CG 4.22Å; V149-L153 WeakPolarHBondContact O-CG 3.44Å; V149-L153 PolarHBondContact O-N 3.45Å; V149-L153 VanDerWaalsContact O-N 3.15Å |
| 150 | P | 56.4 | Low | 62.1 | Low | 79 Ų | 79 | 86 Ų | 86 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | -177.8 | 20.1 | -35.2 | 0 | 0 | 0 | 115 | S148 L152 L153 L154 | S148-P150 VanDerWaalsContact C-N 3.26Å; S148-P150 VanDerWaalsContact O-N 3.14Å; P150-L152 VanDerWaalsContact C-N 3.25Å; P150-L152 PolarHBondContact O-N 2.9Å; P150-L153 PolarHBondContact O-N 3.15Å; P150-L154 VanDerWaalsContact O-CG 3.29Å; P150-L154 WeakPolarHBondContact O-CG 3.01Å; P150-L154 PolarHBondContact O-N 2.89Å |
| 151 | A | 60.3 | Low | 62.5 | Low | 50 Ų | 50 | 88.6 Ų | 88.6 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -33.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S148 Q155 | S148-A151 PolarHBondContact O-N 2.81Å; A151-Q155 PolarHBondContact O-N 2.89Å; A151-Q155 VanDerWaalsContact O-N 3.07Å |
| 152 | L | 62.6 | Low | 63.1 | Low | 43 Ų | 43 | 88.2 Ų | 88.2 | 23% | 0.225 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 175.5 | -164 | 69.2 | 0 | 0 | 0 | 111.8 | L138 V149 P150 G156 | L138-L152 HydrophobicContact CB-CD1 3.42Å; L138-L152 VanDerWaalsContact CB-CD1 3.42Å; L138-L152 HydrophobicContact CD1-CD1 3.96Å; L138-L152 HydrophobicContact CD2-CD1 3.42Å; L138-L152 VanDerWaalsContact CD2-CD1 3.42Å; L138-L152 HydrophobicContact CG-CD1 3.74Å; V149-L152 WeakPolarHBondContact O-CB 3.46Å; V149-L152 PolarHBondContact O-N 2.73Å; P150-L152 VanDerWaalsContact C-N 3.25Å; P150-L152 PolarHBondContact O-N 2.9Å; L152-G156 PolarHBondContact O-N 2.8Å |
| 153 | L | 59.8 | Low | 63.6 | Low | 108 Ų | 108 | 83.6 Ų | 83.6 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.5 | -38.8 | 178.9 | -70.6 | 175.5 | 0 | 0 | 0 | 110.8 | V149 P150 T157 | V149-L153 HydrophobicContact CG1-CD1 3.8Å; V149-L153 HydrophobicContact CG1-CG 4.22Å; V149-L153 WeakPolarHBondContact O-CG 3.44Å; V149-L153 PolarHBondContact O-N 3.45Å; V149-L153 VanDerWaalsContact O-N 3.15Å; P150-L153 PolarHBondContact O-N 3.15Å; L153-T157 VanDerWaalsContact O-CB 3.22Å; L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 WeakPolarHBondContact O-CG2 3.48Å; L153-T157 PolarHBondContact O-N 3.04Å; L153-T157 PolarHBondContact O-OG1 2.86Å |
| 154 | L | 70.2 | Confident | 64.1 | Low | 113 Ų | 113 | 78.7 Ų | 78.7 | 59% | 0.592 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.7 | -46.8 | 177.1 | -71 | 170.4 | 0 | 0 | 0 | 111.7 | P150 T157 V158 | P150-L154 VanDerWaalsContact O-CG 3.29Å; P150-L154 WeakPolarHBondContact O-CG 3.01Å; P150-L154 PolarHBondContact O-N 2.89Å; L154-T157 WeakPolarHBondContact CA-OG1 3.45Å; L154-T157 PolarHBondContact O-N 3.46Å; L154-T157 PolarHBondContact O-OG1 2.94Å; L154-V158 VanDerWaalsContact O-CG2 3.22Å; L154-V158 WeakPolarHBondContact O-CG2 3.2Å; L154-V158 PolarHBondContact O-N 3.44Å |
| 155 | Q | 68.9 | Low | 65 | Low | 98 Ų | 98 | 80.3 Ų | 80.3 | 46% | 0.458 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 177.4 | -70.7 | -65.2 | -5.3 | 0 | 0 | 112.5 | A151 T157 V158 V159 | A151-Q155 PolarHBondContact O-N 2.89Å; A151-Q155 VanDerWaalsContact O-N 3.07Å; Q155-T157 VanDerWaalsContact C-N 3.33Å; Q155-T157 PolarHBondContact O-N 2.93Å; Q155-V158 PolarHBondContact O-N 3.38Å; Q155-V159 WeakPolarHBondContact O-CG2 3.47Å; Q155-V159 PolarHBondContact O-N 3.47Å |
| 156 | G | 67.3 | Low | 66.2 | Low | 25 Ų | 25 | 76.6 Ų | 76.6 | 26% | 0.258 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L152 G160 | L152-G156 PolarHBondContact O-N 2.8Å; G156-G160 WeakPolarHBondContact O-CA 3.1Å; G156-G160 PolarHBondContact O-N 3.34Å |
| 157 | T | 66.7 | Low | 67.1 | Low | 75 Ų | 75 | 72.7 Ų | 72.7 | 46% | 0.46 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.2 | -36.1 | 176.6 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | L153 L154 Q155 G160 T161 | L153-T157 VanDerWaalsContact O-CB 3.22Å; L153-T157 WeakPolarHBondContact O-CB 3.49Å; L153-T157 WeakPolarHBondContact O-CG2 3.48Å; L153-T157 PolarHBondContact O-N 3.04Å; L153-T157 PolarHBondContact O-OG1 2.86Å; L154-T157 WeakPolarHBondContact CA-OG1 3.45Å; L154-T157 PolarHBondContact O-N 3.46Å; L154-T157 PolarHBondContact O-OG1 2.94Å; Q155-T157 VanDerWaalsContact C-N 3.33Å; Q155-T157 PolarHBondContact O-N 2.93Å; T157-G160 PolarHBondContact O-N 3.37Å; T157-T161 WeakPolarHBondContact O-CB 3.45Å; T157-T161 VanDerWaalsContact O-CG2 3.27Å; T157-T161 WeakPolarHBondContact O-CG2 3.43Å; T157-T161 PolarHBondContact O-N 2.78Å; T157-T161 PolarHBondContact O-OG1 3.49Å |
| 158 | V | 73.3 | Confident | 67.9 | Low | 86 Ų | 86 | 70.4 Ų | 70.4 | 52% | 0.521 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 173.3 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L154 Q155 G160 T161 A162 | L154-V158 VanDerWaalsContact O-CG2 3.22Å; L154-V158 WeakPolarHBondContact O-CG2 3.2Å; L154-V158 PolarHBondContact O-N 3.44Å; Q155-V158 PolarHBondContact O-N 3.38Å; V158-G160 VanDerWaalsContact C-N 3.34Å; V158-G160 PolarHBondContact O-N 3.4Å; V158-T161 PolarHBondContact O-OG1 2.79Å; V158-A162 WeakPolarHBondContact O-CB 3.23Å; V158-A162 PolarHBondContact O-N 3.02Å |
| 159 | V | 74.1 | Confident | 68.5 | Low | 19 Ų | 19 | 69.3 Ų | 69.3 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 111 | F92 Y134 Q155 A162 A163 | F92-V159 HydrophobicContact CE2-CG1 3.97Å; F92-V159 HydrophobicContact CZ-CG1 3.91Å; Y134-V159 HydrophobicContact CD1-CG2 4.4Å; Y134-V159 HydrophobicContact CE1-CG2 4.18Å; Q155-V159 WeakPolarHBondContact O-CG2 3.47Å; Q155-V159 PolarHBondContact O-N 3.47Å; V159-A162 PolarHBondContact O-N 3.28Å; V159-A163 WeakPolarHBondContact O-CB 3.18Å; V159-A163 PolarHBondContact O-N 3.15Å |
| 160 | G | 71.4 | Confident | 69.1 | Low | 30 Ų | 30 | 67.1 Ų | 67.1 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G156 T157 V158 A163 L164 | G156-G160 WeakPolarHBondContact O-CA 3.1Å; G156-G160 PolarHBondContact O-N 3.34Å; T157-G160 PolarHBondContact O-N 3.37Å; V158-G160 VanDerWaalsContact C-N 3.34Å; V158-G160 PolarHBondContact O-N 3.4Å; G160-A163 PolarHBondContact O-N 2.99Å; G160-L164 WeakPolarHBondContact O-CB 3.26Å; G160-L164 VanDerWaalsContact O-CG 3.26Å; G160-L164 WeakPolarHBondContact O-CG 3.05Å; G160-L164 PolarHBondContact O-N 2.76Å |
| 161 | T | 72.4 | Confident | 69.5 | Low | 86 Ų | 86 | 66.5 Ų | 66.5 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 175.6 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | T157 V158 A163 L164 F165 | T157-T161 WeakPolarHBondContact O-CB 3.45Å; T157-T161 VanDerWaalsContact O-CG2 3.27Å; T157-T161 WeakPolarHBondContact O-CG2 3.43Å; T157-T161 PolarHBondContact O-N 2.78Å; T157-T161 PolarHBondContact O-OG1 3.49Å; V158-T161 PolarHBondContact O-OG1 2.79Å; T161-A163 VanDerWaalsContact C-N 3.35Å; T161-L164 PolarHBondContact O-N 3.09Å; T161-F165 VanDerWaalsContact O-CB 3.29Å; T161-F165 WeakPolarHBondContact O-CB 3.45Å; T161-F165 PolarHBondContact O-N 3.31Å |
| 162 | A | 74.3 | Confident | 69.8 | Low | 38 Ų | 38 | 69.7 Ų | 69.7 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | V158 V159 F165 W166 | V158-A162 WeakPolarHBondContact O-CB 3.23Å; V158-A162 PolarHBondContact O-N 3.02Å; V159-A162 PolarHBondContact O-N 3.28Å; A162-F165 PolarHBondContact O-N 3.12Å; A162-W166 WeakPolarHBondContact O-CB 3.44Å; A162-W166 PolarHBondContact O-N 2.97Å |
| 163 | A | 74.5 | Confident | 69.9 | Low | 26 Ų | 26 | 68.3 Ų | 68.3 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69 | -37.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V159 G160 T161 W166 L167 | V159-A163 WeakPolarHBondContact O-CB 3.18Å; V159-A163 PolarHBondContact O-N 3.15Å; G160-A163 PolarHBondContact O-N 2.99Å; T161-A163 VanDerWaalsContact C-N 3.35Å; A163-W166 WeakPolarHBondContact O-CB 3.44Å; A163-W166 PolarHBondContact O-N 2.81Å; A163-L167 WeakPolarHBondContact O-CB 3.37Å; A163-L167 WeakPolarHBondContact O-CG 3.3Å; A163-L167 PolarHBondContact O-N 3.37Å |
| 164 | L | 70.4 | Confident | 70.1 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 60% | 0.602 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.1 | -40.1 | 173.8 | -75.5 | 169.6 | 0 | 0 | 0 | 111.7 | G160 T161 W166 L167 C168 | G160-L164 WeakPolarHBondContact O-CB 3.26Å; G160-L164 VanDerWaalsContact O-CG 3.26Å; G160-L164 WeakPolarHBondContact O-CG 3.05Å; G160-L164 PolarHBondContact O-N 2.76Å; T161-L164 PolarHBondContact O-N 3.09Å; L164-W166 VanDerWaalsContact C-N 3.33Å; L164-L167 PolarHBondContact O-N 2.86Å; L164-C168 WeakPolarHBondContact O-CB 3.47Å; L164-C168 PolarHBondContact O-N 3.49Å |
| 165 | F | 72.1 | Confident | 69.6 | Low | 159 Ų | 159 | 63.3 Ų | 63.3 | 70% | 0.697 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 173.7 | -177.7 | -100.7 | 0 | 0 | 0 | 111.1 | T161 A162 C168 A169 | T161-F165 VanDerWaalsContact O-CB 3.29Å; T161-F165 WeakPolarHBondContact O-CB 3.45Å; T161-F165 PolarHBondContact O-N 3.31Å; A162-F165 PolarHBondContact O-N 3.12Å; F165-C168 WeakPolarHBondContact O-CB 3.45Å; F165-C168 PolarHBondContact O-N 3.49Å; F165-A169 PolarHBondContact O-N 2.93Å |
| 166 | W | 78.8 | Confident | 68.9 | Low | 40 Ų | 40 | 67.8 Ų | 67.8 | 15% | 0.152 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.3 | -51.6 | 171.7 | 178.1 | 87 | 0 | 0 | 0 | 111.7 | L96 T99 F120 A162 A163 L164 C168 A169 V170 | L96-W166 HydrophobicContact CD2-CB 4.19Å; L96-W166 HydrophobicContact CD2-CG 4Å; T99-W166 HydrophobicContact CG2-CZ2 3.5Å; T99-W166 PolarHBondContact OG1-NE1 2.85Å; F120-W166 AromaticContact CD1-CZ2 4Å; F120-W166 HydrophobicContact CD1-CZ2 4Å; F120-W166 HydrophobicContact CE1-CZ2 4.14Å; A162-W166 WeakPolarHBondContact O-CB 3.44Å; A162-W166 PolarHBondContact O-N 2.97Å; A163-W166 WeakPolarHBondContact O-CB 3.44Å; A163-W166 PolarHBondContact O-N 2.81Å; L164-W166 VanDerWaalsContact C-N 3.33Å; W166-C168 VanDerWaalsContact C-N 3.25Å; W166-C168 PolarHBondContact O-N 3.36Å; W166-A169 WeakPolarHBondContact O-CB 3.34Å; W166-A169 PolarHBondContact O-N 3.39Å; W166-A169 VanDerWaalsContact O-N 3.12Å; W166-V170 HydrophobicContact CD2-CG2 3.72Å; W166-V170 HydrophobicContact CE3-CG2 3.84Å; W166-V170 HydrophobicContact CG-CG2 4.39Å; W166-V170 HydrophobicContact CH2-CG2 3.81Å; W166-V170 HydrophobicContact CZ2-CG2 3.71Å; W166-V170 HydrophobicContact CZ3-CG2 3.88Å; W166-V170 WeakPolarHBondContact O-CG2 3.36Å; W166-V170 PolarHBondContact O-N 3.35Å |
| 167 | L | 70.3 | Confident | 68.1 | Low | 92 Ų | 92 | 67.1 Ų | 67.1 | 48% | 0.482 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.7 | -38.7 | 175.8 | -82.4 | 173.2 | 0 | 0 | 0 | 112.1 | A163 L164 V170 S171 | A163-L167 WeakPolarHBondContact O-CB 3.37Å; A163-L167 WeakPolarHBondContact O-CG 3.3Å; A163-L167 PolarHBondContact O-N 3.37Å; L164-L167 PolarHBondContact O-N 2.86Å; L167-V170 PolarHBondContact O-N 3.24Å; L167-S171 WeakPolarHBondContact O-CB 3.41Å; L167-S171 PolarHBondContact O-N 2.88Å; L167-S171 PolarHBondContact O-OG 3.4Å; L167-S171 VanDerWaalsContact O-OG 3.09Å |
| 168 | C | 69.9 | Low | 67.1 | Low | 65 Ų | 65 | 69.6 Ų | 69.6 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.7 | -174.6 | 0 | 0 | 0 | 0 | 111.1 | L164 F165 W166 V170 S171 L172 | L164-C168 WeakPolarHBondContact O-CB 3.47Å; L164-C168 PolarHBondContact O-N 3.49Å; F165-C168 WeakPolarHBondContact O-CB 3.45Å; F165-C168 PolarHBondContact O-N 3.49Å; W166-C168 VanDerWaalsContact C-N 3.25Å; W166-C168 PolarHBondContact O-N 3.36Å; C168-V170 VanDerWaalsContact C-N 3.35Å; C168-V170 PolarHBondContact O-N 3.09Å; C168-S171 VanDerWaalsContact CA-OG 3.29Å; C168-S171 WeakPolarHBondContact CA-OG 3.27Å; C168-S171 PolarHBondContact O-N 3.24Å; C168-S171 PolarHBondContact O-OG 2.96Å; C168-L172 WeakPolarHBondContact O-CG 3.3Å; C168-L172 PolarHBondContact O-N 3.33Å |
| 169 | A | 68.4 | Low | 65.9 | Low | 46 Ų | 46 | 70.4 Ų | 70.4 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | F165 W166 L172 Y173 | F165-A169 PolarHBondContact O-N 2.93Å; W166-A169 WeakPolarHBondContact O-CB 3.34Å; W166-A169 PolarHBondContact O-N 3.39Å; W166-A169 VanDerWaalsContact O-N 3.12Å; A169-L172 PolarHBondContact O-N 3.44Å; A169-Y173 WeakPolarHBondContact O-CB 3.28Å; A169-Y173 PolarHBondContact O-N 3.41Å |
| 170 | V | 70.1 | Confident | 64.6 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64 | -42.2 | 174.7 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | F120 W166 L167 C168 Y173 I174 | F120-V170 HydrophobicContact CD1-CG1 3.94Å; F120-V170 HydrophobicContact CD1-CG2 3.97Å; F120-V170 HydrophobicContact CE1-CB 3.87Å; F120-V170 HydrophobicContact CE1-CG1 3.7Å; F120-V170 HydrophobicContact CE1-CG2 3.24Å; F120-V170 HydrophobicContact CZ-CB 4.37Å; F120-V170 HydrophobicContact CZ-CG1 4.27Å; F120-V170 HydrophobicContact CZ-CG2 4.07Å; W166-V170 HydrophobicContact CD2-CG2 3.72Å; W166-V170 HydrophobicContact CE3-CG2 3.84Å; W166-V170 HydrophobicContact CG-CG2 4.39Å; W166-V170 HydrophobicContact CH2-CG2 3.81Å; W166-V170 HydrophobicContact CZ2-CG2 3.71Å; W166-V170 HydrophobicContact CZ3-CG2 3.88Å; W166-V170 WeakPolarHBondContact O-CG2 3.36Å; W166-V170 PolarHBondContact O-N 3.35Å; L167-V170 PolarHBondContact O-N 3.24Å; C168-V170 VanDerWaalsContact C-N 3.35Å; C168-V170 PolarHBondContact O-N 3.09Å; V170-Y173 CarbonylContact O-C 3.49Å; V170-Y173 WeakPolarHBondContact O-CA 3.44Å; V170-Y173 VanDerWaalsContact O-CB 3.27Å; V170-Y173 WeakPolarHBondContact O-CB 3.44Å; V170-Y173 PolarHBondContact O-N 3.45Å; V170-Y173 VanDerWaalsContact O-N 3.15Å; V170-I174 HydrophobicContact CG1-CD1 3.96Å; V170-I174 HydrophobicContact CG1-CG1 4.45Å; V170-I174 WeakPolarHBondContact O-CG1 3.28Å; V170-I174 PolarHBondContact O-N 3.46Å |
| 171 | S | 64.8 | Low | 63.5 | Low | 66 Ų | 66 | 75.9 Ų | 75.9 | 46% | 0.462 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.7 | -34.8 | 180 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | L167 C168 Y173 G175 | L167-S171 WeakPolarHBondContact O-CB 3.41Å; L167-S171 PolarHBondContact O-N 2.88Å; L167-S171 PolarHBondContact O-OG 3.4Å; L167-S171 VanDerWaalsContact O-OG 3.09Å; C168-S171 VanDerWaalsContact CA-OG 3.29Å; C168-S171 WeakPolarHBondContact CA-OG 3.27Å; C168-S171 PolarHBondContact O-N 3.24Å; C168-S171 PolarHBondContact O-OG 2.96Å; S171-Y173 VanDerWaalsContact C-N 3.31Å; S171-G175 PolarHBondContact O-N 2.85Å |
| 172 | L | 66.5 | Low | 62.1 | Low | 116 Ų | 116 | 76.5 Ų | 76.5 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70.5 | -31 | 171.5 | -68.9 | 171.8 | 0 | 0 | 0 | 111.2 | C168 A169 R176 | C168-L172 WeakPolarHBondContact O-CG 3.3Å; C168-L172 PolarHBondContact O-N 3.33Å; A169-L172 PolarHBondContact O-N 3.44Å; L172-R176 WeakPolarHBondContact O-CB 3.35Å; L172-R176 VanDerWaalsContact O-CG 3.3Å; L172-R176 WeakPolarHBondContact O-CG 3.14Å; L172-R176 PolarHBondContact O-N 3.4Å |
| 173 | Y | 64 | Low | 60.4 | Low | 15 Ų | 15 | 80.4 Ų | 80.4 | 6% | 0.059 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 172.6 | 173.1 | -87.2 | 0 | 0 | 0 | 112.2 | F106 Y117 F120 A169 V170 S171 R176 L177 | F106-Y173 HydrophobicContact CB-CE2 3.64Å; F106-Y173 AromaticContact CD1-CD2 4Å; F106-Y173 HydrophobicContact CD1-CD2 4Å; F106-Y173 AromaticContact CD1-CE2 3.56Å; F106-Y173 HydrophobicContact CD1-CE2 3.56Å; F106-Y173 AromaticContact CD2-CE2 3.51Å; F106-Y173 HydrophobicContact CD2-CE2 3.51Å; F106-Y173 AromaticContact CD2-CZ 3.69Å; F106-Y173 VanDerWaalsContact CD2-OH 3.28Å; F106-Y173 WeakPolarHBondContact CD2-OH 3.41Å; F106-Y173 HydrophobicContact CE1-CD2 4.23Å; F106-Y173 HydrophobicContact CE1-CE2 4.02Å; F106-Y173 AromaticContact CE2-CE2 3.98Å; F106-Y173 HydrophobicContact CE2-CE2 3.98Å; F106-Y173 HydrophobicContact CG-CD2 4.19Å; F106-Y173 AromaticContact CG-CE2 3.29Å; F106-Y173 HydrophobicContact CG-CE2 3.29Å; F106-Y173 AromaticContact CG-CZ 3.95Å; F106-Y173 HydrophobicContact CZ-CE2 4.22Å; Y117-Y173 HydrophobicContact CE1-CE1 4.37Å; F120-Y173 HydrophobicContact CD2-CD1 4.15Å; F120-Y173 AromaticContact CD2-CE1 3.81Å; F120-Y173 HydrophobicContact CD2-CE1 3.81Å; F120-Y173 HydrophobicContact CD2-CE2 4.34Å; F120-Y173 AromaticContact CD2-CZ 3.93Å; F120-Y173 AromaticContact CE2-CD1 3.69Å; F120-Y173 HydrophobicContact CE2-CD1 3.69Å; F120-Y173 AromaticContact CE2-CD2 3.77Å; F120-Y173 HydrophobicContact CE2-CD2 3.77Å; F120-Y173 AromaticContact CE2-CE1 3.74Å; F120-Y173 HydrophobicContact CE2-CE1 3.74Å; F120-Y173 AromaticContact CE2-CE2 3.75Å; F120-Y173 HydrophobicContact CE2-CE2 3.75Å; F120-Y173 AromaticContact CE2-CG 3.74Å; F120-Y173 HydrophobicContact CE2-CG 3.74Å; F120-Y173 AromaticContact CE2-CZ 3.77Å; F120-Y173 HydrophobicContact CZ-CD1 4.26Å; F120-Y173 HydrophobicContact CZ-CD2 4.41Å; F120-Y173 HydrophobicContact CZ-CG 4.14Å; A169-Y173 WeakPolarHBondContact O-CB 3.28Å; A169-Y173 PolarHBondContact O-N 3.41Å; V170-Y173 CarbonylContact O-C 3.49Å; V170-Y173 WeakPolarHBondContact O-CA 3.44Å; V170-Y173 VanDerWaalsContact O-CB 3.27Å; V170-Y173 WeakPolarHBondContact O-CB 3.44Å; V170-Y173 PolarHBondContact O-N 3.45Å; V170-Y173 VanDerWaalsContact O-N 3.15Å; S171-Y173 VanDerWaalsContact C-N 3.31Å; Y173-R176 PolarHBondContact O-N 3.05Å; Y173-L177 HydrophobicContact CE1-CD1 4.05Å; Y173-L177 PolarHBondContact O-N 3.09Å |
| 174 | I | 64.8 | Low | 59.1 | Low | 87 Ų | 87 | 85.5 Ų | 85.5 | 45% | 0.446 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 176.2 | -65.2 | 169 | 0 | 0 | 0 | 111 | V170 R176 L177 E178 | V170-I174 HydrophobicContact CG1-CD1 3.96Å; V170-I174 HydrophobicContact CG1-CG1 4.45Å; V170-I174 WeakPolarHBondContact O-CG1 3.28Å; V170-I174 PolarHBondContact O-N 3.46Å; I174-R176 VanDerWaalsContact C-N 3.31Å; I174-R176 PolarHBondContact O-N 3.3Å; I174-L177 CarbonylContact O-C 3.53Å; I174-L177 WeakPolarHBondContact O-CA 3.46Å; I174-L177 VanDerWaalsContact O-CB 3.28Å; I174-L177 WeakPolarHBondContact O-CB 3Å; I174-L177 PolarHBondContact O-N 3.42Å; I174-E178 PolarHBondContact O-N 3.45Å |
| 175 | G | 59.8 | Low | 57.6 | Low | 29 Ų | 29 | 85.9 Ų | 85.9 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69 | -24.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S171 V179 | S171-G175 PolarHBondContact O-N 2.85Å; G175-V179 WeakPolarHBondContact O-CG2 3.16Å; G175-V179 PolarHBondContact O-N 3.39Å |
| 176 | R | 54.1 | Low | 56.2 | Low | 192 Ų | 192 | 86.3 Ų | 86.3 | 73% | 0.725 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -73 | -31.2 | 167.9 | -80.3 | -68.4 | -175.4 | 101.6 | -0.9 | 112.2 | L172 Y173 I174 E180 | L172-R176 WeakPolarHBondContact O-CB 3.35Å; L172-R176 VanDerWaalsContact O-CG 3.3Å; L172-R176 WeakPolarHBondContact O-CG 3.14Å; L172-R176 PolarHBondContact O-N 3.4Å; Y173-R176 PolarHBondContact O-N 3.05Å; I174-R176 VanDerWaalsContact C-N 3.31Å; I174-R176 PolarHBondContact O-N 3.3Å; R176-E180 PolarHBondContact O-N 2.95Å |
| 177 | L | 50.3 | Low | 54.5 | Low | 11 Ų | 11 | 90.6 Ų | 90.6 | 6% | 0.058 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -73 | -38 | 175.7 | -120 | 138.8 | 0 | 0 | 0 | 111.9 | F106 Y117 Y173 I174 V179 E180 I181 | F106-L177 HydrophobicContact CE2-CD1 3.82Å; F106-L177 HydrophobicContact CZ-CD1 4.19Å; Y117-L177 HydrophobicContact CE1-CD1 4.28Å; Y117-L177 WeakPolarHBondContact OH-CD1 3.32Å; Y117-L177 WeakPolarHBondContact OH-CD2 3.12Å; Y173-L177 HydrophobicContact CE1-CD1 4.05Å; Y173-L177 PolarHBondContact O-N 3.09Å; I174-L177 CarbonylContact O-C 3.53Å; I174-L177 WeakPolarHBondContact O-CA 3.46Å; I174-L177 VanDerWaalsContact O-CB 3.28Å; I174-L177 WeakPolarHBondContact O-CB 3Å; I174-L177 PolarHBondContact O-N 3.42Å; L177-V179 VanDerWaalsContact C-N 3.34Å; L177-V179 PolarHBondContact O-N 3.04Å; L177-E180 PolarHBondContact O-N 3.46Å; L177-I181 HydrophobicContact CD2-CD1 3.95Å; L177-I181 WeakPolarHBondContact O-CD1 3.07Å; L177-I181 WeakPolarHBondContact O-CG1 3.4Å; L177-I181 PolarHBondContact O-N 2.94Å |
| 178 | E | 45.5 | Very low | 52.8 | Low | 126 Ų | 126 | 89.5 Ų | 89.5 | 59% | 0.589 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.5 | -30.6 | 173.6 | -79.6 | -178.9 | 163.4 | 0 | 0 | 113.4 | I174 E180 I181 I182 | I174-E178 PolarHBondContact O-N 3.45Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E178-I181 PolarHBondContact O-N 3.3Å; E178-I182 WeakPolarHBondContact O-CG1 3.15Å; E178-I182 PolarHBondContact O-N 3.45Å |
| 179 | V | 48.3 | Very low | 51.4 | Low | 104 Ų | 104 | 94.4 Ų | 94.4 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.8 | -27.4 | 175.8 | 172 | 0 | 0 | 0 | 0 | 112.1 | G175 L177 | G175-V179 WeakPolarHBondContact O-CG2 3.16Å; G175-V179 PolarHBondContact O-N 3.39Å; L177-V179 VanDerWaalsContact C-N 3.34Å; L177-V179 PolarHBondContact O-N 3.04Å |
| 180 | E | 45.4 | Very low | 49.8 | Very low | 91 Ų | 91 | 95.4 Ų | 95.4 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -81.7 | -30.4 | 172.5 | -162.7 | 162 | -152.5 | 0 | 0 | 111.7 | R176 L177 E178 H183 E184 | R176-E180 PolarHBondContact O-N 2.95Å; L177-E180 PolarHBondContact O-N 3.46Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E180-H183 PolarHBondContact O-N 3.42Å; E180-E184 PolarHBondContact O-N 3.34Å |
| 181 | I | 49.4 | Very low | 48.3 | Very low | 72 Ų | 72 | 97.9 Ų | 97.9 | 37% | 0.369 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.9 | -31.7 | 173.5 | -64.2 | 159.9 | 0 | 0 | 0 | 112 | L177 E178 H183 E184 D185 | L177-I181 HydrophobicContact CD2-CD1 3.95Å; L177-I181 WeakPolarHBondContact O-CD1 3.07Å; L177-I181 WeakPolarHBondContact O-CG1 3.4Å; L177-I181 PolarHBondContact O-N 2.94Å; E178-I181 PolarHBondContact O-N 3.3Å; I181-H183 VanDerWaalsContact C-N 3.26Å; I181-H183 PolarHBondContact O-N 3.08Å; I181-E184 PolarHBondContact O-N 3.26Å; I181-D185 WeakPolarHBondContact CG2-OD2 3.47Å; I181-D185 WeakPolarHBondContact O-CB 3.33Å; I181-D185 PolarHBondContact O-N 3.23Å |
| 182 | I | 42.3 | Very low | 47 | Very low | 99 Ų | 99 | 103.2 Ų | 103.2 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.5 | -24.4 | 171.4 | -61.9 | 164.7 | 0 | 0 | 0 | 111.7 | E178 E186 | E178-I182 WeakPolarHBondContact O-CG1 3.15Å; E178-I182 PolarHBondContact O-N 3.45Å; I182-E186 HydrophobicContact CG2-CG 4.48Å; I182-E186 PolarHBondContact O-N 3.21Å; I182-E186 VanDerWaalsContact O-N 3.08Å |
| 183 | H | 39.8 | Very low | 46 | Very low | 121 Ų | 121 | 103.2 Ų | 103.2 | 56% | 0.56 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76.8 | -23.1 | 173.7 | -161.1 | 47.3 | 0 | 0 | 0 | 112.8 | E180 I181 E187 | E180-H183 PolarHBondContact O-N 3.42Å; I181-H183 VanDerWaalsContact C-N 3.26Å; I181-H183 PolarHBondContact O-N 3.08Å; H183-E187 IonicContact CE1-OE1 3.23Å; H183-E187 PolarHBondContact CE1-OE1 3.27Å; H183-E187 VanDerWaalsContact CE1-OE1 3.23Å; H183-E187 IonicContact ND1-OE1 3.95Å; H183-E187 IonicContact NE2-OE1 3.89Å |
| 184 | E | 45.3 | Very low | 45 | Very low | 132 Ų | 132 | 110.8 Ų | 110.8 | 62% | 0.617 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -84.5 | -29.6 | 170.3 | -68.3 | -171.1 | 166.7 | 0 | 0 | 112.5 | E180 I181 | E180-E184 PolarHBondContact O-N 3.34Å; I181-E184 PolarHBondContact O-N 3.26Å |
| 185 | D | 40.2 | Very low | 43.9 | Very low | 123 Ų | 123 | 110 Ų | 110 | 66% | 0.658 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -89.2 | -20.9 | -176.8 | -69.2 | -29.3 | 0 | 0 | 0 | 114.6 | I181 | I181-D185 WeakPolarHBondContact CG2-OD2 3.47Å; I181-D185 WeakPolarHBondContact O-CB 3.33Å; I181-D185 PolarHBondContact O-N 3.23Å |
| 186 | E | 41.9 | Very low | 43.2 | Very low | 169 Ų | 169 | 113.6 Ų | 113.6 | 79% | 0.79 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -90.3 | -6 | 170 | -87.6 | -166 | 141.8 | 0 | 0 | 114 | I182 | I182-E186 HydrophobicContact CG2-CG 4.48Å; I182-E186 PolarHBondContact O-N 3.21Å; I182-E186 VanDerWaalsContact O-N 3.08Å |
| 187 | E | 42.9 | Very low | 42.9 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -102.2 | 18.7 | 168.6 | -67.9 | -173.5 | 174.7 | 0 | 0 | 112.2 | H183 D189 | H183-E187 IonicContact CE1-OE1 3.23Å; H183-E187 PolarHBondContact CE1-OE1 3.27Å; H183-E187 VanDerWaalsContact CE1-OE1 3.23Å; H183-E187 IonicContact ND1-OE1 3.95Å; H183-E187 IonicContact NE2-OE1 3.89Å; E187-D189 VanDerWaalsContact C-N 3.26Å; E187-D189 PolarHBondContact O-N 2.97Å |
| 188 | G | 35.3 | Very low | 43.3 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -82 | 18.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 189 | D | 39.6 | Very low | 43.9 | Very low | 167 Ų | 167 | 120 Ų | 120 | 89% | 0.893 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -141.7 | 65.5 | 167.6 | -164.4 | 36.9 | 0 | 0 | 0 | 109.6 | E187 | E187-D189 VanDerWaalsContact C-N 3.26Å; E187-D189 PolarHBondContact O-N 2.97Å |
| 190 | G | 36.1 | Very low | 44.5 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -167.9 | 9.7 | -171 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 191 | G | 38.5 | Very low | 45.6 | Very low | 70 Ų | 70 | 121.3 Ų | 121.3 | 72% | 0.722 | 66% | 0.663 | S | S | * | * | trans | 76.4 | 149.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 192 | E | 37.5 | Very low | 46.2 | Very low | 177 Ų | 177 | 124 Ų | 124 | 83% | 0.827 | 67% | 0.674 | S | S | * | * | trans | 83.7 | 91.6 | 150.4 | -53.5 | -175.1 | 169.7 | 0 | 0 | 119.5 | ||||
| 193 | D | 45.1 | Very low | 47 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | 55.8 | 64.5 | 121.8 | -161.2 | 38.3 | 0 | 0 | 0 | 119.5 | |||||
| 194 | D | 42.5 | Very low | 48 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 93% | 0.93 | 69% | 0.687 | S | S | * | * | trans | -110.4 | 44.4 | 175.1 | -70.7 | -36.7 | 0 | 0 | 0 | 114.2 | ||||
| 195 | G | 42.6 | Very low | 49 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | trans | -117.4 | -14.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 196 | E | 44 | Very low | 49.9 | Very low | 104 Ų | 104 | 130 Ų | 130 | 49% | 0.486 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -96.6 | 117.3 | -174.5 | -74.1 | -166.9 | 156.2 | 0 | 0 | 112 | R198 | E196-R198 PolarHBondContact O-N 2.91Å; E196-R198 VanDerWaalsContact O-N 3.15Å |
| 197 | C | 49.4 | Very low | 50.7 | Low | 81 Ų | 81 | 130.9 Ų | 130.9 | 55% | 0.547 | 68% | 0.677 | S | S | . | * | trans | -41.3 | 120.8 | 171 | -168.2 | 0 | 0 | 0 | 0 | 110.3 | Q199 C200 R201 | C197-Q199 PolarHBondContact O-N 3.15Å; C197-C200 HydrophobicContact CB-CB 4.43Å; C197-C200 WeakPolarHBondContact O-CA 3.43Å; C197-C200 VanDerWaalsContact O-CB 3.31Å; C197-C200 WeakPolarHBondContact O-CB 3.31Å; C197-C200 PolarHBondContact O-N 3.23Å; C197-R201 PolarHBondContact O-N 3.38Å | ||
| 198 | R | 58.5 | Low | 51.3 | Low | 228 Ų | 228 | 126.9 Ų | 126.9 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -47.8 | -32.6 | -177.1 | -78.7 | -173.1 | 174.3 | 179.7 | -0.9 | 113.4 | E196 C200 R201 E202 | E196-R198 PolarHBondContact O-N 2.91Å; E196-R198 VanDerWaalsContact O-N 3.15Å; R198-C200 VanDerWaalsContact C-N 3.34Å; R198-C200 PolarHBondContact O-N 3.38Å; R198-R201 PolarHBondContact O-N 3.48Å; R198-E202 PolarHBondContact O-N 3.4Å |
| 199 | Q | 57 | Low | 52.2 | Low | 154 Ų | 154 | 131.3 Ų | 131.3 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.3 | -27 | 177.9 | -166.3 | 165.4 | 58.5 | 0 | 0 | 113.8 | C197 | C197-Q199 PolarHBondContact O-N 3.15Å |
| 200 | C | 61.9 | Low | 52.7 | Low | 77 Ų | 77 | 133.2 Ų | 133.2 | 52% | 0.52 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -77.2 | -37 | 173.6 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | C197 R198 R203 R204 | C197-C200 HydrophobicContact CB-CB 4.43Å; C197-C200 WeakPolarHBondContact O-CA 3.43Å; C197-C200 VanDerWaalsContact O-CB 3.31Å; C197-C200 WeakPolarHBondContact O-CB 3.31Å; C197-C200 PolarHBondContact O-N 3.23Å; R198-C200 VanDerWaalsContact C-N 3.34Å; R198-C200 PolarHBondContact O-N 3.38Å; C200-R203 PolarHBondContact O-N 3.18Å; C200-R204 PolarHBondContact O-N 3.17Å |
| 201 | R | 67.4 | Low | 53.2 | Low | 145 Ų | 145 | 132 Ų | 132 | 55% | 0.547 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -64 | -49.3 | 177.6 | -176.6 | 173.8 | 174.2 | 166.9 | 2.8 | 112.1 | C197 R198 R203 R204 E205 | C197-R201 PolarHBondContact O-N 3.38Å; R198-R201 PolarHBondContact O-N 3.48Å; R201-R203 PolarHBondContact O-N 3.37Å; R201-R204 WeakPolarHBondContact O-CB 3.49Å; R201-R204 PolarHBondContact O-N 3.1Å; R201-E205 IonicContact NE-OE1 3.18Å; R201-E205 PolarHBondContact NE-OE1 3.49Å; R201-E205 PolarHBondContact O-N 3.49Å |
| 202 | E | 61.6 | Low | 53.7 | Low | 128 Ų | 128 | 132.3 Ų | 132.3 | 60% | 0.598 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -59.3 | -35.4 | 177.1 | -77.4 | -175.5 | 160.9 | 0 | 0 | 112.5 | R198 R204 E205 Q206 | R198-E202 PolarHBondContact O-N 3.4Å; E202-R204 VanDerWaalsContact C-N 3.31Å; E202-R204 PolarHBondContact O-N 2.74Å; E202-E205 PolarHBondContact O-N 3.31Å; E202-Q206 WeakPolarHBondContact O-CG 3.49Å; E202-Q206 PolarHBondContact O-N 3.44Å; E202-Q206 VanDerWaalsContact O-N 3.1Å |
| 203 | R | 59.4 | Low | 54.2 | Low | 176 Ų | 176 | 131.3 Ų | 131.3 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.5 | -30.4 | 178.5 | -139.2 | -179.2 | -150.8 | -118 | 3.1 | 112.7 | C200 R201 | C200-R203 PolarHBondContact O-N 3.18Å; R201-R203 PolarHBondContact O-N 3.37Å |
| 204 | R | 62.1 | Low | 54.4 | Low | 178 Ų | 178 | 132.5 Ų | 132.5 | 67% | 0.672 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.4 | -40.9 | 178 | -162.8 | 177.7 | -174.5 | 174.4 | -0.7 | 110.9 | C200 R201 E202 Q206 R207 G208 | C200-R204 PolarHBondContact O-N 3.17Å; R201-R204 WeakPolarHBondContact O-CB 3.49Å; R201-R204 PolarHBondContact O-N 3.1Å; E202-R204 VanDerWaalsContact C-N 3.31Å; E202-R204 PolarHBondContact O-N 2.74Å; R204-Q206 PolarHBondContact O-N 3.04Å; R204-R207 PolarHBondContact O-N 3.05Å; R204-G208 PolarHBondContact O-N 3.47Å |
| 205 | E | 64.8 | Low | 54.6 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 48% | 0.477 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.1 | -41.6 | 177 | -70.5 | 178.2 | -174.2 | 0 | 0 | 111.8 | R201 E202 R207 G208 H209 | R201-E205 IonicContact NE-OE1 3.18Å; R201-E205 PolarHBondContact NE-OE1 3.49Å; R201-E205 PolarHBondContact O-N 3.49Å; E202-E205 PolarHBondContact O-N 3.31Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 3.24Å; E205-G208 PolarHBondContact O-N 3.12Å; E205-H209 PolarHBondContact O-N 3.27Å; E205-H209 VanDerWaalsContact O-N 3.12Å |
| 206 | Q | 60.1 | Low | 54.9 | Low | 147 Ų | 147 | 133.2 Ų | 133.2 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.2 | -30.1 | 174.5 | -74.1 | -174.5 | 16.3 | 0 | 0 | 113.7 | E202 R204 | E202-Q206 WeakPolarHBondContact O-CG 3.49Å; E202-Q206 PolarHBondContact O-N 3.44Å; E202-Q206 VanDerWaalsContact O-N 3.1Å; R204-Q206 PolarHBondContact O-N 3.04Å |
| 207 | R | 59 | Low | 55 | Low | 187 Ų | 187 | 135.7 Ų | 135.7 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.8 | -35.3 | 174.2 | -78.8 | -173.9 | -178 | -157.5 | -0.4 | 112.4 | R204 E205 G211 | R204-R207 PolarHBondContact O-N 3.05Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 3.24Å; R207-G211 PolarHBondContact O-N 3.29Å |
| 208 | G | 54.8 | Low | 55 | Low | 46 Ų | 46 | 137.3 Ų | 137.3 | 47% | 0.474 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -65.3 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | R204 E205 R210 G211 S212 | R204-G208 PolarHBondContact O-N 3.47Å; E205-G208 PolarHBondContact O-N 3.12Å; G208-R210 PolarHBondContact O-N 2.93Å; G208-G211 PolarHBondContact O-N 3.47Å; G208-S212 PolarHBondContact O-N 3.44Å |
| 209 | H | 53.8 | Low | 54.5 | Low | 162 Ų | 162 | 129.7 Ų | 129.7 | 75% | 0.75 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.1 | -29.3 | 179.3 | -92.8 | 48.7 | 0 | 0 | 0 | 114 | E205 | E205-H209 PolarHBondContact O-N 3.27Å; E205-H209 VanDerWaalsContact O-N 3.12Å |
| 210 | R | 51.1 | Low | 54.2 | Low | 206 Ų | 206 | 127.9 Ų | 127.9 | 78% | 0.777 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.9 | -30.9 | 175.7 | -108.7 | -177.9 | 177.4 | -176.2 | -0.6 | 113.5 | G208 | G208-R210 PolarHBondContact O-N 2.93Å |
| 211 | G | 46.9 | Very low | 53.5 | Low | 42 Ų | 42 | 134.7 Ų | 134.7 | 43% | 0.433 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -75.2 | -24.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R207 G208 S215 | R207-G211 PolarHBondContact O-N 3.29Å; G208-G211 PolarHBondContact O-N 3.47Å; G211-S215 PolarHBondContact O-OG 3.41Å |
| 212 | S | 48.1 | Very low | 52.5 | Low | 76 Ų | 76 | 131.5 Ų | 131.5 | 53% | 0.531 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -81.2 | -27.5 | -177.5 | -155.8 | 0 | 0 | 0 | 0 | 113.5 | G208 | G208-S212 PolarHBondContact O-N 3.44Å |
| 213 | Q | 49.1 | Very low | 51.8 | Low | 157 Ų | 157 | 134.4 Ų | 134.4 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -76.2 | -26.1 | 179.3 | -83.7 | -179 | -6 | 0 | 0 | 113.7 | S215 | Q213-S215 VanDerWaalsContact C-N 3.26Å; Q213-S215 PolarHBondContact O-N 3.25Å |
| 214 | D | 47.6 | Very low | 51 | Low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -6.8 | 179.2 | -74 | -25.5 | 0 | 0 | 0 | 113.2 | ||
| 215 | S | 47.6 | Very low | 50 | Low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -13.2 | -174.1 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | G211 Q213 | G211-S215 PolarHBondContact O-OG 3.41Å; Q213-S215 VanDerWaalsContact C-N 3.26Å; Q213-S215 PolarHBondContact O-N 3.25Å |
| 216 | E | 47.6 | Very low | 49.3 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -96.5 | -9.2 | -174.5 | -68.6 | -169 | 116.1 | 0 | 0 | 114.6 | ||
| 217 | D | 47.7 | Very low | 48.7 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 21.1 | -175.4 | -153.8 | 25.2 | 0 | 0 | 0 | 115.2 | ||
| 218 | S | 48.6 | Very low | 48.1 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 6 | 177.7 | -61.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 219 | G | 48.2 | Very low | 47.7 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -106.3 | 15 | -167.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 220 | S | 50.6 | Low | 47.3 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -149.7 | 85.4 | 180 | -107.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 221 | K | 47.8 | Very low | 47.1 | Very low | 220 Ų | 220 | 138.1 Ų | 138.1 | 96% | 0.957 | 79% | 0.787 | S | S | * | * | trans | -176.3 | 115.4 | 142.4 | -110.3 | 168.5 | 179.5 | 173.5 | 0 | 110.2 | ||||
| 222 | G | 45.4 | Very low | 47.1 | Very low | 77 Ų | 77 | 144.9 Ų | 144.9 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 161.3 | 29.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 223 | Q | 47.6 | Very low | 47 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -132.2 | 101.2 | 156.4 | -84 | -173.9 | 11.7 | 0 | 0 | 109.1 | ||||
| 224 | N | 41.7 | Very low | 46.9 | Very low | 169 Ų | 169 | 149.7 Ų | 149.7 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | trans | -168.4 | 132.8 | 138.6 | -108.3 | -27.3 | 0 | 0 | 0 | 111.8 | ||||
| 225 | K | 42.1 | Very low | 46.8 | Very low | 283 Ų | 283 | 150.5 Ų | 150.5 | 100% | 1.23 | 85% | 0.851 | S | S | * | * | trans | 84 | 0 | 165.5 | -115 | 176 | 178.1 | 179.1 | 0 | 118.7 |
Retrieved 225 of 225 residues in 161.2 ms
(Link to these results)