| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.6 | Very low | 48.1 | Very low | 248 Ų | 248 | 161.2 Ų | 161.2 | 100% | 1.222 | 83% | 0.825 | S | S | * | * | 0 | 101.3 | 0 | -74.4 | 163.8 | 164.6 | 0 | 0 | 105.6 | |||||
| 2 | S | 48.6 | Very low | 47.2 | Very low | 108 Ų | 108 | 160.6 Ų | 160.6 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | cis | -145.4 | 127.4 | 20.1 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | D | 48.4 | Very low | 46.4 | Very low | 165 Ų | 165 | 162.1 Ų | 162.1 | 88% | 0.882 | 83% | 0.832 | S | S | * | * | trans | -79.3 | 123.8 | 177.1 | -71.1 | -59.3 | 0 | 0 | 0 | 111.1 | ||||
| 4 | I | 59.6 | Low | 46.2 | Very low | 148 Ų | 148 | 161.6 Ų | 161.6 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | trans | -107.4 | 125.6 | 166.2 | -62.3 | 170.3 | 0 | 0 | 0 | 106.3 | ||||
| 5 | P | 49.4 | Very low | 45.3 | Very low | 101 Ų | 101 | 155.4 Ų | 155.4 | 66% | 0.656 | 82% | 0.822 | S | S | * | * | trans | -71.4 | 132.3 | -172.3 | 25.2 | -31.4 | 0 | 0 | 0 | 113.3 | Q7 | P5-Q7 PolarHBondContact O-N 3.47Š| ||
| 6 | D | 54.8 | Low | 44.6 | Very low | 134 Ų | 134 | 152.4 Ų | 152.4 | 72% | 0.717 | 82% | 0.817 | S | S | * | * | G | 310 helix | trans | -58.2 | 7.5 | -172.4 | -89.9 | -36.5 | 0 | 0 | 0 | 118.1 | ||
| 7 | Q | 50.4 | Low | 44 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -84.6 | -13.8 | -173.7 | -70.6 | -85.6 | 10.5 | 0 | 0 | 113.9 | P5 | P5-Q7 PolarHBondContact O-N 3.47Š|
| 8 | F | 49.5 | Very low | 43.6 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | G | 310 helix | trans | -97.6 | 2.7 | 177.1 | -75.8 | -83 | 0 | 0 | 0 | 114.2 | ||
| 9 | K | 43.6 | Very low | 43.1 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -104.7 | 2.6 | -172.9 | -134.2 | 175.5 | -175.4 | -179.3 | 0 | 114.8 | ||
| 10 | K | 44.3 | Very low | 42.5 | Very low | 184 Ų | 184 | 150.4 Ų | 150.4 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -118.3 | 96.5 | 175.1 | -74.3 | 178.5 | 179 | 176 | 0 | 108.7 | ||||
| 11 | T | 39.7 | Very low | 42.3 | Very low | 133 Ų | 133 | 151 Ų | 151 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 170.2 | 79.2 | 140.7 | -63.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 12 | L | 37.9 | Very low | 41.6 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 166.6 | 77 | 138.3 | -113 | 115.1 | 0 | 0 | 0 | 108.6 | ||||
| 13 | L | 35.9 | Very low | 41.2 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | trans | -106.5 | 80 | 159.5 | -94.8 | 166 | 0 | 0 | 0 | 106.8 | ||||
| 14 | I | 43.5 | Very low | 40.4 | Very low | 155 Ų | 155 | 143 Ų | 143 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | -151.7 | 114.7 | 159.8 | -48.2 | 175.2 | 0 | 0 | 0 | 102.1 | ||||
| 15 | G | 33.2 | Very low | 39.2 | Very low | 69 Ų | 69 | 144.2 Ų | 144.2 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | 143.6 | 102.5 | 22.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 16 | S | 33.9 | Very low | 38.4 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 61.3 | 141.8 | 168.7 | -81 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 17 | P | 35.1 | Very low | 37.4 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -82.7 | 115 | 170.5 | 34.4 | -25.3 | 0 | 0 | 0 | 108.6 | ||||
| 18 | D | 36.1 | Very low | 36.8 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -132.5 | 111.4 | 166.8 | -81.8 | -46.6 | 0 | 0 | 0 | 109.3 | ||||
| 19 | D | 35.1 | Very low | 36.1 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -47.3 | 151.8 | 157.2 | -65.2 | -53.3 | 0 | 0 | 0 | 110 | ||||
| 20 | N | 31.4 | Very low | 35.7 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | 98.4 | 80.1 | 173.9 | -45.3 | -56.4 | 0 | 0 | 0 | 116.6 | ||||
| 21 | L | 36.8 | Very low | 35.2 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -150.6 | 87.2 | 140.3 | -139.9 | 78.6 | 0 | 0 | 0 | 111.1 | V23 | L21-V23 HydrophobicContact CD2-CG2 4.41Å; L21-V23 HydrophobicContact CG-CG2 4.42Å | ||
| 22 | G | 27.3 | Very low | 35.1 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | -74.3 | 126.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | V | 40 | Very low | 34.8 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 71% | 0.709 | 81% | 0.808 | S | S | * | * | trans | -133.3 | 111.8 | 166 | 177.7 | 0 | 0 | 0 | 0 | 108 | L21 | L21-V23 HydrophobicContact CD2-CG2 4.41Å; L21-V23 HydrophobicContact CG-CG2 4.42Å | ||
| 24 | N | 31.4 | Very low | 34.8 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -61.5 | 124.4 | 178 | -90.4 | -77.4 | 0 | 0 | 0 | 111.3 | ||||
| 25 | L | 35.3 | Very low | 34.2 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 97.5 | 162.5 | -106.2 | 69.7 | 0 | 0 | 0 | 108.8 | ||||
| 26 | A | 31.2 | Very low | 34.1 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | -154.4 | 133.2 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 27 | E | 34.2 | Very low | 34.2 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | 71.5 | 125.9 | -177.7 | -66 | 177.3 | 108.6 | 0 | 0 | 114 | ||||
| 28 | E | 37.2 | Very low | 34.3 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | -165.1 | 129.6 | 64.4 | -170.5 | 178.2 | 142.2 | 0 | 0 | 110.8 | |||||
| 29 | K | 34.3 | Very low | 34.6 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -67.7 | 135.9 | 161.4 | -92.8 | 173.1 | 166.1 | 174.1 | 0 | 108.5 | ||||
| 30 | N | 36.2 | Very low | 34.8 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | -170.3 | 144 | 123.6 | -99.9 | -36.3 | 0 | 0 | 0 | 114.9 | |||||
| 31 | A | 33.1 | Very low | 35 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -74.9 | 139.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 32 | V | 38.1 | Very low | 35.1 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -129.1 | 109.1 | 154.8 | -179.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 33 | S | 31.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -94.7 | 117.8 | 172.1 | 165.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 34 | V | 36.3 | Very low | 36.2 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -153.6 | 105.5 | 151.2 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 35 | A | 31.2 | Very low | 36.7 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 46.8 | 116.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||
| 36 | G | 30.9 | Very low | 36.8 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 121.4 | 48.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | P38 | G36-P38 VanDerWaalsContact O-CD 3.28Å; G36-P38 WeakPolarHBondContact O-CD 3.35Å | ||
| 37 | V | 36.2 | Very low | 37.1 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -98.4 | 105.3 | 170.7 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | E39 | V37-E39 PolarHBondContact O-N 2.92Š| ||
| 38 | P | 37.3 | Very low | 37.3 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -75.8 | 116.7 | 164.9 | 29.7 | -28.3 | 0 | 0 | 0 | 109.5 | G36 | G36-P38 VanDerWaalsContact O-CD 3.28Å; G36-P38 WeakPolarHBondContact O-CD 3.35Å | ||
| 39 | E | 42.4 | Very low | 37.1 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 54.5 | 89.7 | 139.4 | -148.4 | 164.3 | 179.2 | 0 | 0 | 119.2 | V37 | V37-E39 PolarHBondContact O-N 2.92Š|
| 40 | K | 37.4 | Very low | 37.5 | Very low | 192 Ų | 192 | 133 Ų | 133 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 42.4 | 82.9 | 140.3 | -64.1 | -176.6 | 176.6 | -176.4 | 0 | 117.8 | ||||
| 41 | C | 36.3 | Very low | 37.8 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | -94.4 | 101.1 | 146 | -67.9 | 0 | 0 | 0 | 0 | 108.4 | H43 | C41-H43 PolarHBondContact O-N 3.33Å; C41-H43 VanDerWaalsContact O-N 3.11Å | ||
| 42 | E | 39.4 | Very low | 38.6 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 97.8 | 167.3 | -85.9 | 178 | 135.6 | 0 | 0 | 108.5 | ||||
| 43 | H | 47.9 | Very low | 39.2 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | trans | -73.3 | 131.4 | 164.3 | -78.1 | -77.5 | 0 | 0 | 0 | 108.9 | C41 Q45 | C41-H43 PolarHBondContact O-N 3.33Å; C41-H43 VanDerWaalsContact O-N 3.11Å; H43-Q45 PolarHBondContact O-N 3.44Å; H43-Q45 VanDerWaalsContact O-N 3.13Å | ||
| 44 | P | 42.7 | Very low | 40.2 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -62.6 | 120.3 | 171.9 | 25.4 | -30 | 0 | 0 | 0 | 108.1 | A46 | P44-A46 PolarHBondContact O-N 3.06Š| ||
| 45 | Q | 40.6 | Very low | 40.9 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -58.2 | 113.8 | 167.8 | -73.6 | -174.5 | 1.7 | 0 | 0 | 107.4 | H43 S47 | H43-Q45 PolarHBondContact O-N 3.44Å; H43-Q45 VanDerWaalsContact O-N 3.13Å; Q45-S47 PolarHBondContact O-N 3.13Å | ||
| 46 | A | 39.2 | Very low | 42 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | trans | -70.9 | 62.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | P44 | P44-A46 PolarHBondContact O-N 3.06Š| ||
| 47 | S | 35.8 | Very low | 43 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 59% | 0.594 | 74% | 0.744 | S | S | * | * | trans | -98.1 | 68.7 | 166.9 | 65.6 | 0 | 0 | 0 | 0 | 107.8 | Q45 | Q45-S47 PolarHBondContact O-N 3.13Š| ||
| 48 | N | 38.2 | Very low | 43.8 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 178.6 | 131.2 | 147.5 | -93.5 | -40 | 0 | 0 | 0 | 109.4 | Q50 | N48-Q50 PolarHBondContact O-N 3.17Š|
| 49 | A | 33.4 | Very low | 44.5 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 88% | 0.884 | 73% | 0.725 | S | S | * | * | trans | -57.3 | 104.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 50 | Q | 43.3 | Very low | 44.9 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -151.3 | 133.4 | 155.9 | -112.7 | 169.2 | 7.5 | 0 | 0 | 108 | N48 I52 | N48-Q50 PolarHBondContact O-N 3.17Å; Q50-I52 PolarHBondContact O-N 3.31Å | ||
| 51 | S | 42.6 | Very low | 45.6 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -64 | 91.7 | -178.9 | 51.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 52 | I | 50.7 | Low | 46.4 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 48% | 0.477 | 72% | 0.722 | S | S | . | * | trans | -77.4 | 122.9 | 170.5 | -55.9 | 164.9 | 0 | 0 | 0 | 106.3 | Q50 E56 M57 | Q50-I52 PolarHBondContact O-N 3.31Å; I52-E56 HydrophobicContact CG2-CB 3.6Å; I52-M57 HydrophobicContact CB-CE 4.07Å; I52-M57 HydrophobicContact CG2-CE 4.26Å; I52-M57 HydrophobicContact CG2-CG 3.97Å | ||
| 53 | T | 50.7 | Low | 46.9 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 49% | 0.491 | 72% | 0.721 | S | S | . | * | trans | -69.6 | 149.3 | 177.4 | 54 | 0 | 0 | 0 | 0 | 109.8 | E55 E56 M57 | T53-E55 PolarHBondContact O-N 3.29Å; T53-E55 VanDerWaalsContact O-N 3.08Å; T53-E56 PolarHBondContact O-N 3.14Å; T53-M57 PolarHBondContact O-N 2.89Å | ||
| 54 | F | 52.5 | Low | 46.5 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -56.1 | -27.3 | 178.7 | -169.2 | -95.3 | 0 | 0 | 0 | 111.7 | F58 | F54-F58 HydrophobicContact CD1-CD2 4.18Å; F54-F58 HydrophobicContact CD1-CE2 4.16Å; F54-F58 AromaticContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CE2 3.99Å; F54-F58 AromaticContact CE1-CD2 3.95Å; F54-F58 HydrophobicContact CE1-CD2 3.95Å; F54-F58 AromaticContact CE1-CE2 3.71Å; F54-F58 HydrophobicContact CE1-CE2 3.71Å; F54-F58 HydrophobicContact CE2-CD2 4.45Å; F54-F58 AromaticContact CE2-CE2 3.53Å; F54-F58 HydrophobicContact CE2-CE2 3.53Å; F54-F58 HydrophobicContact CE2-CZ 4.25Å; F54-F58 HydrophobicContact CG-CE2 4.29Å; F54-F58 HydrophobicContact CZ-CD2 4.1Å; F54-F58 AromaticContact CZ-CE2 3.37Å; F54-F58 HydrophobicContact CZ-CE2 3.37Å; F54-F58 HydrophobicContact CZ-CZ 4.03Å; F54-F58 VanDerWaalsContact O-CD2 3.31Å; F54-F58 WeakPolarHBondContact O-CD2 3.47Å |
| 55 | E | 49.9 | Very low | 46.7 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -67.4 | -32 | 173.4 | -87.4 | 178.7 | 118.9 | 0 | 0 | 114.2 | T53 | T53-E55 PolarHBondContact O-N 3.29Å; T53-E55 VanDerWaalsContact O-N 3.08Å |
| 56 | E | 54.1 | Low | 47.1 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 61% | 0.607 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -77.3 | -25.6 | 178.4 | -101.7 | 175.8 | 146.8 | 0 | 0 | 113 | I52 T53 F58 | I52-E56 HydrophobicContact CG2-CB 3.6Å; T53-E56 PolarHBondContact O-N 3.14Å; E56-F58 VanDerWaalsContact C-N 3.27Å; E56-F58 PolarHBondContact O-N 2.82Å |
| 57 | M | 52.5 | Low | 47.1 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 56% | 0.562 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.1 | -18.1 | 179.3 | -73.3 | -170.2 | -168.2 | 0 | 0 | 113.8 | I52 T53 | I52-M57 HydrophobicContact CB-CE 4.07Å; I52-M57 HydrophobicContact CG2-CE 4.26Å; I52-M57 HydrophobicContact CG2-CG 3.97Å; T53-M57 PolarHBondContact O-N 2.89Å |
| 58 | F | 53.8 | Low | 47.7 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 60% | 0.596 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -116.6 | 0.8 | -175.9 | -66.6 | -79.9 | 0 | 0 | 0 | 114 | F54 E56 D60 | F54-F58 HydrophobicContact CD1-CD2 4.18Å; F54-F58 HydrophobicContact CD1-CE2 4.16Å; F54-F58 AromaticContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CE2 3.99Å; F54-F58 AromaticContact CE1-CD2 3.95Å; F54-F58 HydrophobicContact CE1-CD2 3.95Å; F54-F58 AromaticContact CE1-CE2 3.71Å; F54-F58 HydrophobicContact CE1-CE2 3.71Å; F54-F58 HydrophobicContact CE2-CD2 4.45Å; F54-F58 AromaticContact CE2-CE2 3.53Å; F54-F58 HydrophobicContact CE2-CE2 3.53Å; F54-F58 HydrophobicContact CE2-CZ 4.25Å; F54-F58 HydrophobicContact CG-CE2 4.29Å; F54-F58 HydrophobicContact CZ-CD2 4.1Å; F54-F58 AromaticContact CZ-CE2 3.37Å; F54-F58 HydrophobicContact CZ-CE2 3.37Å; F54-F58 HydrophobicContact CZ-CZ 4.03Å; F54-F58 VanDerWaalsContact O-CD2 3.31Å; F54-F58 WeakPolarHBondContact O-CD2 3.47Å; E56-F58 VanDerWaalsContact C-N 3.27Å; E56-F58 PolarHBondContact O-N 2.82Å; F58-D60 VanDerWaalsContact C-N 3.35Å; F58-D60 PolarHBondContact O-N 3.47Å |
| 59 | A | 50.7 | Low | 48.2 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -15.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 60 | D | 51.4 | Low | 48.7 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 15 | -172.3 | -108 | -8.8 | 0 | 0 | 0 | 114.9 | F58 | F58-D60 VanDerWaalsContact C-N 3.35Å; F58-D60 PolarHBondContact O-N 3.47Å |
| 61 | H | 51.9 | Low | 49.1 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 60% | 0.602 | 67% | 0.669 | S | S | * | * | trans | -128.5 | 57 | -177.3 | -79.9 | -64.3 | 0 | 0 | 0 | 113.1 | D63 C64 | H61-D63 PolarHBondContact O-N 3.4Å; H61-C64 HydrophobicContact CB-CB 4.34Å | ||
| 62 | E | 52.4 | Low | 49.5 | Very low | 195 Ų | 195 | 123.8 Ų | 123.8 | 91% | 0.911 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -70.7 | -17.3 | 167.3 | -78.7 | -165.8 | 146.5 | 0 | 0 | 113.1 | ||
| 63 | D | 50.3 | Low | 49.7 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 88% | 0.877 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -101.4 | -0.6 | -176.5 | -73.3 | -39.3 | 0 | 0 | 0 | 115.3 | H61 K65 | H61-D63 PolarHBondContact O-N 3.4Å; D63-K65 PolarHBondContact O-N 2.9Å; D63-K65 VanDerWaalsContact O-N 3.07Å |
| 64 | C | 40.4 | Very low | 49.8 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 55% | 0.547 | 67% | 0.669 | S | S | . | * | trans | -86.1 | 86.5 | 177.3 | -142.9 | 0 | 0 | 0 | 0 | 109.7 | H61 I66 | H61-C64 HydrophobicContact CB-CB 4.34Å; C64-I66 VanDerWaalsContact C-N 3.28Å; C64-I66 PolarHBondContact O-N 2.93Å | ||
| 65 | K | 45.8 | Very low | 49.8 | Very low | 205 Ų | 205 | 117.9 Ų | 117.9 | 89% | 0.891 | 64% | 0.642 | S | S | * | * | trans | -55.3 | 97.4 | 159.7 | -97.8 | -177.6 | 176 | 177.7 | 0 | 107.6 | D63 G67 | D63-K65 PolarHBondContact O-N 2.9Å; D63-K65 VanDerWaalsContact O-N 3.07Å; K65-G67 PolarHBondContact O-N 3.34Å | ||
| 66 | I | 49 | Very low | 50.1 | Low | 126 Ų | 126 | 114.5 Ų | 114.5 | 65% | 0.646 | 63% | 0.629 | S | S | * | * | trans | -67.5 | 82.9 | 168.7 | -57.4 | 170.1 | 0 | 0 | 0 | 106.1 | C64 T68 | C64-I66 VanDerWaalsContact C-N 3.28Å; C64-I66 PolarHBondContact O-N 2.93Å; I66-T68 PolarHBondContact O-N 2.84Å | ||
| 67 | G | 38.8 | Very low | 50.4 | Low | 41 Ų | 41 | 112.7 Ų | 112.7 | 42% | 0.423 | 63% | 0.631 | S | S | . | * | trans | -62.5 | 131.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108 | K65 E69 G70 | K65-G67 PolarHBondContact O-N 3.34Å; G67-E69 PolarHBondContact O-N 3.5Å; G67-G70 PolarHBondContact O-N 3.34Å | ||
| 68 | T | 49.6 | Very low | 50.6 | Low | 150 Ų | 150 | 109.9 Ų | 109.9 | 92% | 0.92 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 4.9 | -178.8 | 38.9 | 0 | 0 | 0 | 0 | 115.4 | I66 | I66-T68 PolarHBondContact O-N 2.84Š|
| 69 | E | 47.7 | Very low | 50.9 | Low | 181 Ų | 181 | 107.3 Ų | 107.3 | 85% | 0.846 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -6.6 | 178.1 | -68.2 | -173.2 | 128.3 | 0 | 0 | 114 | G67 | G67-E69 PolarHBondContact O-N 3.5Š|
| 70 | G | 45.6 | Very low | 51.3 | Low | 55 Ų | 55 | 107.9 Ų | 107.9 | 57% | 0.567 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -93.9 | -13.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G67 | G67-G70 PolarHBondContact O-N 3.34Š|
| 71 | N | 51.4 | Low | 51.6 | Low | 65 Ų | 65 | 106.9 Ų | 106.9 | 35% | 0.348 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -91.2 | -5.6 | -169.1 | -112.1 | -6.5 | 0 | 0 | 0 | 115 | I75 | N71-I75 WeakPolarHBondContact O-CD1 3.36Å; N71-I75 WeakPolarHBondContact O-CG1 3.22Å |
| 72 | T | 51.1 | Low | 51.8 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 60% | 0.601 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.6 | -33.4 | 176.2 | 46.2 | 0 | 0 | 0 | 0 | 111.9 | L74 I75 D76 | T72-L74 VanDerWaalsContact C-N 3.3Å; T72-L74 PolarHBondContact O-N 3.35Å; T72-I75 PolarHBondContact O-N 2.88Å; T72-D76 PolarHBondContact O-N 3.29Å |
| 73 | A | 53.9 | Low | 51.7 | Low | 74 Ų | 74 | 97.7 Ų | 97.7 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.1 | -30.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 74 | L | 53.5 | Low | 51.9 | Low | 109 Ų | 109 | 96.4 Ų | 96.4 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -77.4 | -30.2 | 178.1 | -143.1 | 100.5 | 0 | 0 | 0 | 112.2 | T72 D76 S77 L78 | T72-L74 VanDerWaalsContact C-N 3.3Å; T72-L74 PolarHBondContact O-N 3.35Å; L74-D76 VanDerWaalsContact C-N 3.28Å; L74-S77 PolarHBondContact O-OG 3.44Å; L74-L78 WeakPolarHBondContact O-CD1 3.48Å |
| 75 | I | 52.9 | Low | 52.5 | Low | 26 Ų | 26 | 99.9 Ų | 99.9 | 13% | 0.133 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -75.5 | -23.8 | 177 | -61.1 | 167 | 0 | 0 | 0 | 110.4 | N71 T72 R83 R87 L90 | N71-I75 WeakPolarHBondContact O-CD1 3.36Å; N71-I75 WeakPolarHBondContact O-CG1 3.22Å; T72-I75 PolarHBondContact O-N 2.88Å; I75-R83 HydrophobicContact CG2-CG 4.33Å; I75-R83 VanDerWaalsContact O-CD 3.27Å; I75-R83 WeakPolarHBondContact O-CD 3.35Å; I75-R83 WeakPolarHBondContact O-CG 3.22Å; I75-R83 PolarHBondContact O-NE 3.37Å; I75-R87 HydrophobicContact CG2-CG 4.12Å; I75-L90 HydrophobicContact CD1-CD1 4.18Å; I75-L90 HydrophobicContact CG1-CD1 4.49Å |
| 76 | D | 56.4 | Low | 52.8 | Low | 97 Ų | 97 | 91 Ų | 91 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -80.5 | -17.7 | -178.3 | -81 | 30.7 | 0 | 0 | 0 | 114.1 | T72 L74 R83 | T72-D76 PolarHBondContact O-N 3.29Å; L74-D76 VanDerWaalsContact C-N 3.28Å; D76-R83 IonicContact OD1-CZ 3.56Å; D76-R83 IonicContact OD1-NH2 2.56Å; D76-R83 PolarHBondContact OD1-NH2 3.04Å; D76-R83 IonicContact OD2-NH2 3.33Å; D76-R83 PolarHBondContact OD2-NH2 3.27Å |
| 77 | S | 60.2 | Low | 52.9 | Low | 92 Ų | 92 | 92 Ų | 92 | 64% | 0.643 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.5 | 173.7 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | L74 | L74-S77 PolarHBondContact O-OG 3.44Š|
| 78 | L | 55.9 | Low | 53.6 | Low | 56 Ų | 56 | 93.4 Ų | 93.4 | 29% | 0.293 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -79.9 | 144.6 | 178.5 | -99.1 | 72 | 0 | 0 | 0 | 111.4 | L74 V82 R83 A86 | L74-L78 WeakPolarHBondContact O-CD1 3.48Å; L78-V82 HydrophobicContact CD2-CB 4.02Å; L78-V82 HydrophobicContact CD2-CG1 3.63Å; L78-V82 HydrophobicContact CG-CB 4.49Å; L78-V82 HydrophobicContact CG-CG1 4.48Å; L78-R83 HydrophobicContact CB-CG 3.87Å; L78-R83 VanDerWaalsContact O-CD 3.29Å; L78-R83 WeakPolarHBondContact O-CD 3.45Å; L78-R83 WeakPolarHBondContact O-CG 3.4Å; L78-A86 HydrophobicContact CD2-CB 4.11Å |
| 79 | P | 59.2 | Low | 53.8 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 53% | 0.532 | 52% | 0.524 | S | S | . | . | trans | -53.4 | 143.6 | 172 | -16.7 | 26.1 | 0 | 0 | 0 | 110.4 | D81 V82 R83 | P79-D81 PolarHBondContact O-N 2.96Å; P79-V82 HydrophobicContact CB-CG2 4.15Å; P79-V82 HydrophobicContact CG-CG2 4.06Å; P79-V82 PolarHBondContact O-N 3.4Å; P79-R83 PolarHBondContact O-N 2.92Å; P79-R83 VanDerWaalsContact O-N 3.07Å | ||
| 80 | S | 59.8 | Low | 54.1 | Low | 86 Ų | 86 | 86 Ų | 86 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -46.4 | -34 | -178.9 | 43.3 | 0 | 0 | 0 | 0 | 113.5 | V82 R83 | S80-V82 VanDerWaalsContact C-N 3.33Å; S80-R83 PolarHBondContact O-N 3.45Å |
| 81 | D | 58.7 | Low | 54.5 | Low | 132 Ų | 132 | 86 Ų | 86 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -79.1 | -21.1 | -173.5 | -47.8 | -18.7 | 0 | 0 | 0 | 111.8 | P79 | P79-D81 PolarHBondContact O-N 2.96Å |
| 82 | V | 54.4 | Low | 54.5 | Low | 67 Ų | 67 | 91 Ų | 91 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -97.3 | -23.7 | 176.5 | -162.1 | 0 | 0 | 0 | 0 | 111.2 | L78 P79 S80 L84 H85 A86 | L78-V82 HydrophobicContact CD2-CB 4.02Å; L78-V82 HydrophobicContact CD2-CG1 3.63Å; L78-V82 HydrophobicContact CG-CB 4.49Å; L78-V82 HydrophobicContact CG-CG1 4.48Å; P79-V82 HydrophobicContact CB-CG2 4.15Å; P79-V82 HydrophobicContact CG-CG2 4.06Å; P79-V82 PolarHBondContact O-N 3.4Å; S80-V82 VanDerWaalsContact C-N 3.33Å; V82-L84 VanDerWaalsContact C-N 3.26Å; V82-L84 PolarHBondContact O-N 2.96Å; V82-H85 PolarHBondContact O-N 3.49Å; V82-A86 WeakPolarHBondContact O-CB 3.4Å; V82-A86 PolarHBondContact O-N 3.25Å |
| 83 | R | 51.9 | Low | 54.6 | Low | 64 Ų | 64 | 91.2 Ų | 91.2 | 24% | 0.242 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -61.5 | -32.6 | 177.2 | -72.2 | 179.3 | 88.8 | -177.9 | -1.8 | 112.9 | I75 D76 L78 P79 S80 R87 | I75-R83 HydrophobicContact CG2-CG 4.33Å; I75-R83 VanDerWaalsContact O-CD 3.27Å; I75-R83 WeakPolarHBondContact O-CD 3.35Å; I75-R83 WeakPolarHBondContact O-CG 3.22Å; I75-R83 PolarHBondContact O-NE 3.37Å; D76-R83 IonicContact OD1-CZ 3.56Å; D76-R83 IonicContact OD1-NH2 2.56Å; D76-R83 PolarHBondContact OD1-NH2 3.04Å; D76-R83 IonicContact OD2-NH2 3.33Å; D76-R83 PolarHBondContact OD2-NH2 3.27Å; L78-R83 HydrophobicContact CB-CG 3.87Å; L78-R83 VanDerWaalsContact O-CD 3.29Å; L78-R83 WeakPolarHBondContact O-CD 3.45Å; L78-R83 WeakPolarHBondContact O-CG 3.4Å; P79-R83 PolarHBondContact O-N 2.92Å; P79-R83 VanDerWaalsContact O-N 3.07Å; S80-R83 PolarHBondContact O-N 3.45Å; R83-R87 VanDerWaalsContact O-CB 3.31Å; R83-R87 WeakPolarHBondContact O-CB 3.35Å; R83-R87 WeakPolarHBondContact O-CG 3.46Å; R83-R87 PolarHBondContact O-N 3.37Å |
| 84 | L | 53.8 | Low | 54.8 | Low | 138 Ų | 138 | 92.8 Ų | 92.8 | 72% | 0.723 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.4 | -40.1 | 178.1 | -160.2 | 74 | 0 | 0 | 0 | 111.6 | V82 A88 | V82-L84 VanDerWaalsContact C-N 3.26Å; V82-L84 PolarHBondContact O-N 2.96Å; L84-A88 VanDerWaalsContact O-CB 3.25Å; L84-A88 WeakPolarHBondContact O-CB 3.45Å; L84-A88 PolarHBondContact O-N 3.47Å |
| 85 | H | 52.2 | Low | 55 | Low | 153 Ų | 153 | 93.8 Ų | 93.8 | 71% | 0.708 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.7 | -37.3 | 175.3 | -91.8 | -68.8 | 0 | 0 | 0 | 112.7 | V82 A88 G89 | V82-H85 PolarHBondContact O-N 3.49Å; H85-A88 PolarHBondContact O-N 3.07Å; H85-G89 PolarHBondContact O-N 3.38Å |
| 86 | A | 52.7 | Low | 55.6 | Low | 19 Ų | 19 | 95.9 Ų | 95.9 | 16% | 0.157 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L78 V82 A88 G89 L90 | L78-A86 HydrophobicContact CD2-CB 4.11Å; V82-A86 WeakPolarHBondContact O-CB 3.4Å; V82-A86 PolarHBondContact O-N 3.25Å; A86-A88 PolarHBondContact O-N 3.08Å; A86-G89 PolarHBondContact O-N 2.93Å; A86-L90 VanDerWaalsContact O-CB 3.32Å; A86-L90 WeakPolarHBondContact O-CB 3.23Å; A86-L90 WeakPolarHBondContact O-CD1 3.44Å; A86-L90 PolarHBondContact O-N 3.15Å |
| 87 | R | 50.8 | Low | 56.1 | Low | 148 Ų | 148 | 95.6 Ų | 95.6 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.6 | -33.1 | 176 | -75.7 | -177.7 | 174.7 | 161.4 | 1.1 | 113.4 | I75 R83 | I75-R87 HydrophobicContact CG2-CG 4.12Å; R83-R87 VanDerWaalsContact O-CB 3.31Å; R83-R87 WeakPolarHBondContact O-CB 3.35Å; R83-R87 WeakPolarHBondContact O-CG 3.46Å; R83-R87 PolarHBondContact O-N 3.37Å |
| 88 | A | 53.8 | Low | 56.8 | Low | 69 Ų | 69 | 94.5 Ų | 94.5 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75 | -28.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L84 H85 A86 | L84-A88 VanDerWaalsContact O-CB 3.25Å; L84-A88 WeakPolarHBondContact O-CB 3.45Å; L84-A88 PolarHBondContact O-N 3.47Å; H85-A88 PolarHBondContact O-N 3.07Å; A86-A88 PolarHBondContact O-N 3.08Å |
| 89 | G | 55 | Low | 57.8 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -85.9 | -29.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H85 A86 | H85-G89 PolarHBondContact O-N 3.38Å; A86-G89 PolarHBondContact O-N 2.93Å |
| 90 | L | 53.9 | Low | 59 | Low | 112 Ų | 112 | 96.2 Ų | 96.2 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -88.4 | -6.4 | -179.1 | -82.8 | 147.5 | 0 | 0 | 0 | 114.3 | I75 A86 | I75-L90 HydrophobicContact CD1-CD1 4.18Å; I75-L90 HydrophobicContact CG1-CD1 4.49Å; A86-L90 VanDerWaalsContact O-CB 3.32Å; A86-L90 WeakPolarHBondContact O-CB 3.23Å; A86-L90 WeakPolarHBondContact O-CD1 3.44Å; A86-L90 PolarHBondContact O-N 3.15Å |
| 91 | G | 52.6 | Low | 60.1 | Low | 54 Ų | 54 | 99.2 Ų | 99.2 | 56% | 0.557 | 55% | 0.553 | S | S | * | * | trans | -115.6 | 14.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 92 | K | 51.2 | Low | 61.5 | Low | 170 Ų | 170 | 94.8 Ų | 94.8 | 74% | 0.739 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -109 | 61.7 | -177.3 | -163.5 | 170.6 | -177.2 | 165 | 0 | 112.2 | T94 | K92-T94 PolarHBondContact O-N 2.82Å; K92-T94 PolarHBondContact O-OG1 3.41Å |
| 93 | D | 54.6 | Low | 63.3 | Low | 104 Ų | 104 | 95 Ų | 95 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | trans | 28.3 | 35.5 | 154.4 | -63.8 | -31.2 | 0 | 0 | 0 | 118.6 | D95 T96 N97 | D93-D95 PolarHBondContact O-N 3.31Å; D93-T96 PolarHBondContact O-N 2.93Å; D93-N97 PolarHBondContact O-N 2.93Å; D93-N97 VanDerWaalsContact O-N 3.12Å; D93-N97 PolarHBondContact O-ND2 3.39Å | ||
| 94 | T | 56.8 | Low | 65.2 | Low | 106 Ų | 106 | 98.6 Ų | 98.6 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.1 | -30.8 | 175.6 | 20 | 0 | 0 | 0 | 0 | 109.9 | K92 S98 | K92-T94 PolarHBondContact O-N 2.82Å; K92-T94 PolarHBondContact O-OG1 3.41Å; T94-S98 WeakPolarHBondContact O-CB 3.23Å; T94-S98 PolarHBondContact O-N 2.82Å; T94-S98 PolarHBondContact O-OG 3.34Å |
| 95 | D | 58.9 | Low | 66.9 | Low | 130 Ų | 130 | 98.4 Ų | 98.4 | 70% | 0.695 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.9 | -38.2 | 175.5 | -59 | -24.9 | 0 | 0 | 0 | 111.6 | D93 S98 S99 | D93-D95 PolarHBondContact O-N 3.31Å; D95-S98 WeakPolarHBondContact CA-OG 3.29Å; D95-S98 PolarHBondContact O-OG 3.29Å; D95-S98 VanDerWaalsContact O-OG 3.08Å; D95-S99 WeakPolarHBondContact O-CB 3.48Å; D95-S99 PolarHBondContact O-N 3.32Å |
| 96 | T | 65.6 | Low | 68.8 | Low | 71 Ų | 71 | 93.9 Ų | 93.9 | 44% | 0.436 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.8 | -47.1 | 178.3 | -51 | 0 | 0 | 0 | 0 | 111 | D93 S99 I100 | D93-T96 PolarHBondContact O-N 2.93Å; T96-S99 PolarHBondContact O-N 3.36Å; T96-I100 HydrophobicContact CG2-CD1 3.89Å; T96-I100 WeakPolarHBondContact O-CB 3.5Å; T96-I100 WeakPolarHBondContact O-CD1 3.42Å; T96-I100 WeakPolarHBondContact O-CG1 3.2Å; T96-I100 PolarHBondContact O-N 2.91Å |
| 97 | N | 66.8 | Low | 70.8 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.2 | -45.6 | 178.4 | -70.5 | -45.1 | 0 | 0 | 0 | 111.3 | D93 S99 I100 F101 | D93-N97 PolarHBondContact O-N 2.93Å; D93-N97 VanDerWaalsContact O-N 3.12Å; D93-N97 PolarHBondContact O-ND2 3.39Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 3.49Å; N97-I100 PolarHBondContact O-N 3.24Å; N97-F101 HydrophobicContact CB-CD2 4.44Å; N97-F101 HydrophobicContact CB-CE2 4.45Å; N97-F101 WeakPolarHBondContact O-CD2 3.37Å; N97-F101 PolarHBondContact O-N 3.47Å |
| 98 | S | 74.3 | Confident | 72.9 | Confident | 69 Ų | 69 | 94.9 Ų | 94.9 | 48% | 0.483 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -38.8 | 177.9 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | T94 D95 F101 G102 | T94-S98 WeakPolarHBondContact O-CB 3.23Å; T94-S98 PolarHBondContact O-N 2.82Å; T94-S98 PolarHBondContact O-OG 3.34Å; D95-S98 WeakPolarHBondContact CA-OG 3.29Å; D95-S98 PolarHBondContact O-OG 3.29Å; D95-S98 VanDerWaalsContact O-OG 3.08Å; S98-F101 PolarHBondContact O-N 2.94Å; S98-G102 PolarHBondContact O-N 3.43Å |
| 99 | S | 77.7 | Confident | 74.8 | Confident | 79 Ų | 79 | 96 Ų | 96 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | D95 T96 N97 G102 S103 | D95-S99 WeakPolarHBondContact O-CB 3.48Å; D95-S99 PolarHBondContact O-N 3.32Å; T96-S99 PolarHBondContact O-N 3.36Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 3.49Å; S99-G102 PolarHBondContact O-N 2.89Å; S99-S103 WeakPolarHBondContact O-CB 3.33Å; S99-S103 PolarHBondContact O-N 3.48Å; S99-S103 PolarHBondContact O-OG 3.27Å |
| 100 | I | 83.6 | Confident | 76.6 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 175.6 | -67.4 | 165 | 0 | 0 | 0 | 110.6 | T96 N97 S103 F104 | T96-I100 HydrophobicContact CG2-CD1 3.89Å; T96-I100 WeakPolarHBondContact O-CB 3.5Å; T96-I100 WeakPolarHBondContact O-CD1 3.42Å; T96-I100 WeakPolarHBondContact O-CG1 3.2Å; T96-I100 PolarHBondContact O-N 2.91Å; N97-I100 PolarHBondContact O-N 3.24Å; I100-S103 PolarHBondContact O-OG 3.02Å; I100-F104 WeakPolarHBondContact O-CB 3.32Å; I100-F104 PolarHBondContact O-N 2.9Å |
| 101 | F | 83.5 | Confident | 78.5 | Confident | 149 Ų | 149 | 96 Ų | 96 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 176.7 | -79.1 | -67.4 | 0 | 0 | 0 | 112.1 | N97 S98 F105 | N97-F101 HydrophobicContact CB-CD2 4.44Å; N97-F101 HydrophobicContact CB-CE2 4.45Å; N97-F101 WeakPolarHBondContact O-CD2 3.37Å; N97-F101 PolarHBondContact O-N 3.47Å; S98-F101 PolarHBondContact O-N 2.94Å; F101-F105 WeakPolarHBondContact O-CB 3.44Å; F101-F105 PolarHBondContact O-N 3.41Å |
| 102 | G | 88.6 | Confident | 80.3 | Confident | 39 Ų | 39 | 97 Ų | 97 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | S98 S99 F105 A106 | S98-G102 PolarHBondContact O-N 3.43Å; S99-G102 PolarHBondContact O-N 2.89Å; G102-F105 PolarHBondContact O-N 2.92Å; G102-A106 WeakPolarHBondContact O-CB 3.31Å; G102-A106 PolarHBondContact O-N 2.89Å |
| 103 | S | 90.3 | Very high | 82.2 | Confident | 72 Ų | 72 | 93.1 Ų | 93.1 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 177.5 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | S99 I100 A106 F107 | S99-S103 WeakPolarHBondContact O-CB 3.33Å; S99-S103 PolarHBondContact O-N 3.48Å; S99-S103 PolarHBondContact O-OG 3.27Å; I100-S103 PolarHBondContact O-OG 3.02Å; S103-A106 PolarHBondContact O-N 2.75Å; S103-F107 WeakPolarHBondContact O-CB 3.48Å; S103-F107 PolarHBondContact O-N 3.49Å |
| 104 | F | 92.2 | Very high | 83.9 | Confident | 139 Ų | 139 | 93 Ų | 93 | 61% | 0.61 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 174.6 | -174.6 | -99.2 | 0 | 0 | 0 | 111.8 | I100 A106 F107 V108 | I100-F104 WeakPolarHBondContact O-CB 3.32Å; I100-F104 PolarHBondContact O-N 2.9Å; F104-A106 PolarHBondContact O-N 2.85Å; F104-F107 PolarHBondContact O-N 3.03Å; F104-V108 HydrophobicContact CD1-CG2 4.31Å; F104-V108 HydrophobicContact CE1-CG2 3.92Å; F104-V108 HydrophobicContact CZ-CG2 4.1Å; F104-V108 WeakPolarHBondContact O-CG2 3.45Å; F104-V108 PolarHBondContact O-N 3.29Å |
| 105 | F | 91 | Very high | 85.3 | Confident | 134 Ų | 134 | 94.6 Ų | 94.6 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 176.7 | -177.9 | -99.7 | 0 | 0 | 0 | 111.9 | F101 G102 F107 V108 M109 | F101-F105 WeakPolarHBondContact O-CB 3.44Å; F101-F105 PolarHBondContact O-N 3.41Å; G102-F105 PolarHBondContact O-N 2.92Å; F105-F107 VanDerWaalsContact C-N 3.32Å; F105-F107 PolarHBondContact O-N 3.44Å; F105-V108 PolarHBondContact O-N 2.99Å; F105-M109 HydrophobicContact CD1-CG 4.16Å; F105-M109 HydrophobicContact CE1-CG 3.75Å; F105-M109 HydrophobicContact CE2-CG 4.25Å; F105-M109 HydrophobicContact CE2-SD 4.45Å; F105-M109 HydrophobicContact CZ-CG 3.8Å; F105-M109 HydrophobicContact CZ-SD 4.05Å; F105-M109 WeakPolarHBondContact O-CG 3.17Å; F105-M109 PolarHBondContact O-N 3.43Å |
| 106 | A | 91.9 | Very high | 86.6 | Confident | 57 Ų | 57 | 94.5 Ų | 94.5 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G102 S103 F104 M109 F110 | G102-A106 WeakPolarHBondContact O-CB 3.31Å; G102-A106 PolarHBondContact O-N 2.89Å; S103-A106 PolarHBondContact O-N 2.75Å; F104-A106 PolarHBondContact O-N 2.85Å; A106-M109 PolarHBondContact O-N 2.95Å; A106-F110 VanDerWaalsContact O-CB 3.3Å; A106-F110 WeakPolarHBondContact O-CB 3.3Å; A106-F110 PolarHBondContact O-N 3.08Å |
| 107 | F | 94.5 | Very high | 87.5 | Confident | 130 Ų | 130 | 94.2 Ų | 94.2 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -43.4 | 176.4 | -179.7 | -98.7 | 0 | 0 | 0 | 112.4 | S103 F104 F105 F110 T111 | S103-F107 WeakPolarHBondContact O-CB 3.48Å; S103-F107 PolarHBondContact O-N 3.49Å; F104-F107 PolarHBondContact O-N 3.03Å; F105-F107 VanDerWaalsContact C-N 3.32Å; F105-F107 PolarHBondContact O-N 3.44Å; F107-F110 PolarHBondContact O-N 2.83Å; F107-T111 HydrophobicContact CD1-CG2 4.29Å; F107-T111 HydrophobicContact CD2-CG2 4.35Å; F107-T111 HydrophobicContact CE1-CG2 3.89Å; F107-T111 HydrophobicContact CE2-CG2 3.95Å; F107-T111 HydrophobicContact CZ-CG2 3.7Å; F107-T111 WeakPolarHBondContact O-CB 3.24Å; F107-T111 VanDerWaalsContact O-CG2 3.32Å; F107-T111 WeakPolarHBondContact O-CG2 3.35Å; F107-T111 PolarHBondContact O-N 2.95Å; F107-T111 PolarHBondContact O-OG1 3.41Å |
| 108 | V | 94.7 | Very high | 88.3 | Confident | 58 Ų | 58 | 93.9 Ų | 93.9 | 35% | 0.352 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | F104 F105 T111 T112 | F104-V108 HydrophobicContact CD1-CG2 4.31Å; F104-V108 HydrophobicContact CE1-CG2 3.92Å; F104-V108 HydrophobicContact CZ-CG2 4.1Å; F104-V108 WeakPolarHBondContact O-CG2 3.45Å; F104-V108 PolarHBondContact O-N 3.29Å; F105-V108 PolarHBondContact O-N 2.99Å; V108-T111 WeakPolarHBondContact CA-OG1 3.42Å; V108-T111 PolarHBondContact O-OG1 2.86Å; V108-T112 HydrophobicContact CG1-CG2 4.39Å; V108-T112 WeakPolarHBondContact O-CB 3.46Å; V108-T112 VanDerWaalsContact O-CG2 3.24Å; V108-T112 WeakPolarHBondContact O-CG2 3.45Å; V108-T112 PolarHBondContact O-N 3.46Å; V108-T112 PolarHBondContact O-OG1 2.97Å |
| 109 | M | 92.8 | Very high | 88.6 | Confident | 94 Ų | 94 | 98.5 Ų | 98.5 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.7 | -68.8 | -62.9 | -74.1 | 0 | 0 | 111.9 | F105 A106 T112 V113 | F105-M109 HydrophobicContact CD1-CG 4.16Å; F105-M109 HydrophobicContact CE1-CG 3.75Å; F105-M109 HydrophobicContact CE2-CG 4.25Å; F105-M109 HydrophobicContact CE2-SD 4.45Å; F105-M109 HydrophobicContact CZ-CG 3.8Å; F105-M109 HydrophobicContact CZ-SD 4.05Å; F105-M109 WeakPolarHBondContact O-CG 3.17Å; F105-M109 PolarHBondContact O-N 3.43Å; A106-M109 PolarHBondContact O-N 2.95Å; M109-T112 WeakPolarHBondContact CA-OG1 3.24Å; M109-T112 PolarHBondContact O-OG1 2.96Å; M109-V113 WeakPolarHBondContact O-CB 3.4Å; M109-V113 VanDerWaalsContact O-CG2 3.27Å; M109-V113 WeakPolarHBondContact O-CG2 3.45Å; M109-V113 PolarHBondContact O-N 2.92Å; M109-V113 VanDerWaalsContact O-N 3.08Å |
| 110 | F | 94 | Very high | 88.6 | Confident | 142 Ų | 142 | 100 Ų | 100 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -48.3 | 177.3 | 178.8 | -99.1 | 0 | 0 | 0 | 112 | A106 F107 V113 F114 | A106-F110 VanDerWaalsContact O-CB 3.3Å; A106-F110 WeakPolarHBondContact O-CB 3.3Å; A106-F110 PolarHBondContact O-N 3.08Å; F107-F110 PolarHBondContact O-N 2.83Å; F110-V113 PolarHBondContact O-N 3.45Å; F110-F114 VanDerWaalsContact O-CB 3.24Å; F110-F114 WeakPolarHBondContact O-CB 3.42Å; F110-F114 PolarHBondContact O-N 2.89Å |
| 111 | T | 92.7 | Very high | 88 | Confident | 34 Ų | 34 | 99.8 Ų | 99.8 | 21% | 0.209 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | -179.3 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | F107 V108 F114 F115 | F107-T111 HydrophobicContact CD1-CG2 4.29Å; F107-T111 HydrophobicContact CD2-CG2 4.35Å; F107-T111 HydrophobicContact CE1-CG2 3.89Å; F107-T111 HydrophobicContact CE2-CG2 3.95Å; F107-T111 HydrophobicContact CZ-CG2 3.7Å; F107-T111 WeakPolarHBondContact O-CB 3.24Å; F107-T111 VanDerWaalsContact O-CG2 3.32Å; F107-T111 WeakPolarHBondContact O-CG2 3.35Å; F107-T111 PolarHBondContact O-N 2.95Å; F107-T111 PolarHBondContact O-OG1 3.41Å; V108-T111 WeakPolarHBondContact CA-OG1 3.42Å; V108-T111 PolarHBondContact O-OG1 2.86Å; T111-F114 PolarHBondContact O-N 3.42Å; T111-F115 WeakPolarHBondContact O-CD2 3.38Å; T111-F115 PolarHBondContact O-N 2.96Å |
| 112 | T | 90.9 | Very high | 87.6 | Confident | 73 Ų | 73 | 97.1 Ų | 97.1 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.1 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | V108 M109 F116 | V108-T112 HydrophobicContact CG1-CG2 4.39Å; V108-T112 WeakPolarHBondContact O-CB 3.46Å; V108-T112 VanDerWaalsContact O-CG2 3.24Å; V108-T112 WeakPolarHBondContact O-CG2 3.45Å; V108-T112 PolarHBondContact O-N 3.46Å; V108-T112 PolarHBondContact O-OG1 2.97Å; M109-T112 WeakPolarHBondContact CA-OG1 3.24Å; M109-T112 PolarHBondContact O-OG1 2.96Å; T112-F116 VanDerWaalsContact O-CB 3.31Å; T112-F116 WeakPolarHBondContact O-CB 3.34Å; T112-F116 PolarHBondContact O-N 3Å |
| 113 | V | 91.6 | Very high | 86.9 | Confident | 89 Ų | 89 | 100.9 Ų | 100.9 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | M109 F110 F116 S117 | M109-V113 WeakPolarHBondContact O-CB 3.4Å; M109-V113 VanDerWaalsContact O-CG2 3.27Å; M109-V113 WeakPolarHBondContact O-CG2 3.45Å; M109-V113 PolarHBondContact O-N 2.92Å; M109-V113 VanDerWaalsContact O-N 3.08Å; F110-V113 PolarHBondContact O-N 3.45Å; V113-F116 PolarHBondContact O-N 3.27Å; V113-S117 WeakPolarHBondContact O-CB 3.27Å; V113-S117 PolarHBondContact O-N 3.41Å; V113-S117 PolarHBondContact O-OG 2.9Å |
| 114 | F | 89.9 | Confident | 86 | Confident | 103 Ų | 103 | 103.1 Ų | 103.1 | 45% | 0.452 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 177.7 | -178.5 | -103.2 | 0 | 0 | 0 | 111.7 | F110 T111 F116 S117 L118 | F110-F114 VanDerWaalsContact O-CB 3.24Å; F110-F114 WeakPolarHBondContact O-CB 3.42Å; F110-F114 PolarHBondContact O-N 2.89Å; T111-F114 PolarHBondContact O-N 3.42Å; F114-F116 PolarHBondContact O-N 2.89Å; F114-S117 WeakPolarHBondContact O-CB 3.41Å; F114-S117 PolarHBondContact O-N 3.42Å; F114-L118 HydrophobicContact CD1-CD1 3.91Å; F114-L118 HydrophobicContact CD1-CG 4.47Å; F114-L118 HydrophobicContact CE1-CD1 3.37Å; F114-L118 HydrophobicContact CE1-CG 4.17Å; F114-L118 HydrophobicContact CZ-CD1 3.74Å; F114-L118 HydrophobicContact CZ-CD2 4.46Å; F114-L118 HydrophobicContact CZ-CG 4.23Å; F114-L118 WeakPolarHBondContact O-CG 3.48Å; F114-L118 PolarHBondContact O-N 2.83Å |
| 115 | F | 86.8 | Confident | 85.1 | Confident | 138 Ų | 138 | 100.2 Ų | 100.2 | 61% | 0.605 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -38.9 | 177.1 | -82.1 | -68.2 | 0 | 0 | 0 | 112.7 | T111 S117 L118 W119 | T111-F115 WeakPolarHBondContact O-CD2 3.38Å; T111-F115 PolarHBondContact O-N 2.96Å; F115-S117 VanDerWaalsContact C-N 3.31Å; F115-S117 PolarHBondContact O-N 2.94Å; F115-L118 PolarHBondContact O-N 3.17Å; F115-W119 WeakPolarHBondContact O-CB 3.37Å; F115-W119 PolarHBondContact O-N 3.12Å |
| 116 | F | 84.9 | Confident | 84.4 | Confident | 129 Ų | 129 | 101.1 Ų | 101.1 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.3 | -38.7 | 175.5 | -171.1 | -98.8 | 0 | 0 | 0 | 111.8 | T112 V113 F114 W119 K120 | T112-F116 VanDerWaalsContact O-CB 3.31Å; T112-F116 WeakPolarHBondContact O-CB 3.34Å; T112-F116 PolarHBondContact O-N 3Å; V113-F116 PolarHBondContact O-N 3.27Å; F114-F116 PolarHBondContact O-N 2.89Å; F116-W119 PolarHBondContact O-N 3.38Å; F116-K120 HydrophobicContact CD1-CG 4.19Å; F116-K120 HydrophobicContact CE1-CG 3.88Å; F116-K120 HydrophobicContact CZ-CG 4.24Å; F116-K120 WeakPolarHBondContact O-CB 3.43Å; F116-K120 WeakPolarHBondContact O-CG 3.19Å; F116-K120 PolarHBondContact O-N 3.41Å |
| 117 | S | 85 | Confident | 83.6 | Confident | 64 Ų | 64 | 102.8 Ų | 102.8 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 175.5 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | V113 F114 F115 W119 K120 F121 | V113-S117 WeakPolarHBondContact O-CB 3.27Å; V113-S117 PolarHBondContact O-N 3.41Å; V113-S117 PolarHBondContact O-OG 2.9Å; F114-S117 WeakPolarHBondContact O-CB 3.41Å; F114-S117 PolarHBondContact O-N 3.42Å; F115-S117 VanDerWaalsContact C-N 3.31Å; F115-S117 PolarHBondContact O-N 2.94Å; S117-W119 PolarHBondContact O-N 3.47Å; S117-K120 PolarHBondContact O-N 2.93Å; S117-F121 WeakPolarHBondContact O-CB 3.49Å; S117-F121 PolarHBondContact O-N 3.08Å |
| 118 | L | 83.6 | Confident | 82.6 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 174.2 | -70.1 | -178.3 | 0 | 0 | 0 | 112.3 | F114 F115 F121 S122 | F114-L118 HydrophobicContact CD1-CD1 3.91Å; F114-L118 HydrophobicContact CD1-CG 4.47Å; F114-L118 HydrophobicContact CE1-CD1 3.37Å; F114-L118 HydrophobicContact CE1-CG 4.17Å; F114-L118 HydrophobicContact CZ-CD1 3.74Å; F114-L118 HydrophobicContact CZ-CD2 4.46Å; F114-L118 HydrophobicContact CZ-CG 4.23Å; F114-L118 WeakPolarHBondContact O-CG 3.48Å; F114-L118 PolarHBondContact O-N 2.83Å; F115-L118 PolarHBondContact O-N 3.17Å; L118-F121 PolarHBondContact O-N 2.77Å; L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 2.75Å |
| 119 | W | 79.7 | Confident | 81.9 | Confident | 167 Ų | 167 | 101.2 Ų | 101.2 | 63% | 0.633 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -48 | 176.2 | -175.9 | -60.9 | 0 | 0 | 0 | 110.9 | F115 F116 S117 F121 S122 Q123 | F115-W119 WeakPolarHBondContact O-CB 3.37Å; F115-W119 PolarHBondContact O-N 3.12Å; F116-W119 PolarHBondContact O-N 3.38Å; S117-W119 PolarHBondContact O-N 3.47Å; W119-F121 VanDerWaalsContact C-N 3.27Å; W119-F121 PolarHBondContact O-N 2.78Å; W119-S122 WeakPolarHBondContact O-CB 3.35Å; W119-S122 PolarHBondContact O-N 2.81Å; W119-S122 VanDerWaalsContact O-N 3.15Å; W119-Q123 PolarHBondContact O-N 2.97Å |
| 120 | K | 79.7 | Confident | 81.3 | Confident | 109 Ų | 109 | 101.9 Ų | 101.9 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 177.1 | -78 | -70.3 | -175.5 | -179 | 0 | 111.7 | F116 S117 Q123 Q124 | F116-K120 HydrophobicContact CD1-CG 4.19Å; F116-K120 HydrophobicContact CE1-CG 3.88Å; F116-K120 HydrophobicContact CZ-CG 4.24Å; F116-K120 WeakPolarHBondContact O-CB 3.43Å; F116-K120 WeakPolarHBondContact O-CG 3.19Å; F116-K120 PolarHBondContact O-N 3.41Å; S117-K120 PolarHBondContact O-N 2.93Å; K120-Q123 PolarHBondContact O-N 3.07Å; K120-Q124 PolarHBondContact O-N 3.48Å |
| 121 | F | 71.1 | Confident | 80.7 | Confident | 92 Ų | 92 | 99.4 Ų | 99.4 | 40% | 0.404 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 174.8 | -153.6 | -113.3 | 0 | 0 | 0 | 112.1 | S117 L118 W119 Q123 Q124 L128 I131 | S117-F121 WeakPolarHBondContact O-CB 3.49Å; S117-F121 PolarHBondContact O-N 3.08Å; L118-F121 PolarHBondContact O-N 2.77Å; W119-F121 VanDerWaalsContact C-N 3.27Å; W119-F121 PolarHBondContact O-N 2.78Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 PolarHBondContact O-N 3.47Å; F121-Q124 CarbonylContact O-C 3.48Å; F121-Q124 PolarHBondContact O-N 3Å; F121-L128 HydrophobicContact CD1-CD1 3.53Å; F121-L128 HydrophobicContact CD1-CG 3.93Å; F121-L128 HydrophobicContact CE1-CB 4.5Å; F121-L128 HydrophobicContact CE1-CD1 3.34Å; F121-L128 HydrophobicContact CE1-CD2 3.81Å; F121-L128 HydrophobicContact CE1-CG 3.23Å; F121-L128 HydrophobicContact CZ-CD1 4.26Å; F121-L128 HydrophobicContact CZ-CD2 4.28Å; F121-L128 HydrophobicContact CZ-CG 3.7Å; F121-I131 HydrophobicContact CE2-CD1 4.38Å; F121-I131 HydrophobicContact CZ-CD1 4.17Å |
| 122 | S | 74 | Confident | 80.2 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 66% | 0.657 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.5 | -28.6 | 174.6 | -173.1 | 0 | 0 | 0 | 0 | 113.2 | L118 W119 Q124 | L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 2.75Å; W119-S122 WeakPolarHBondContact O-CB 3.35Å; W119-S122 PolarHBondContact O-N 2.81Å; W119-S122 VanDerWaalsContact O-N 3.15Å; S122-Q124 VanDerWaalsContact C-N 3.3Å |
| 123 | Q | 73.2 | Confident | 80.1 | Confident | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -75.7 | -17.5 | 174.7 | -86.3 | -172.9 | -17.7 | 0 | 0 | 113.4 | W119 K120 F121 P125 | W119-Q123 PolarHBondContact O-N 2.97Å; K120-Q123 PolarHBondContact O-N 3.07Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 PolarHBondContact O-N 3.47Å; Q123-P125 VanDerWaalsContact O-CD 3.23Å; Q123-P125 WeakPolarHBondContact O-CD 3.04Å |
| 124 | Q | 72.2 | Confident | 79.9 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | trans | -116.5 | 66.6 | 176.7 | -65.4 | -166.7 | -16.3 | 0 | 0 | 111.2 | K120 F121 S122 E126 M127 | K120-Q124 PolarHBondContact O-N 3.48Å; F121-Q124 CarbonylContact O-C 3.48Å; F121-Q124 PolarHBondContact O-N 3Å; S122-Q124 VanDerWaalsContact C-N 3.3Å; Q124-E126 PolarHBondContact O-N 2.63Å; Q124-E126 VanDerWaalsContact O-N 3.08Å; Q124-M127 HydrophobicContact CB-CB 4.44Å; Q124-M127 HydrophobicContact CB-CG 4.07Å; Q124-M127 PolarHBondContact O-N 3.33Å | ||
| 125 | P | 72.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 51% | 0.506 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -24.4 | 177.7 | 27.1 | -35 | 0 | 0 | 0 | 112.1 | Q123 M127 L128 V129 | Q123-P125 VanDerWaalsContact O-CD 3.23Å; Q123-P125 WeakPolarHBondContact O-CD 3.04Å; P125-M127 VanDerWaalsContact C-N 3.34Å; P125-M127 PolarHBondContact O-N 2.56Å; P125-L128 WeakPolarHBondContact O-CB 3.1Å; P125-L128 PolarHBondContact O-N 3.23Å; P125-V129 WeakPolarHBondContact O-CG2 3.28Å; P125-V129 PolarHBondContact O-N 3.29Å |
| 126 | E | 78.2 | Confident | 80 | Confident | 154 Ų | 154 | 103.7 Ų | 103.7 | 72% | 0.72 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.7 | -40.9 | 175.9 | -59.6 | -173.7 | 172.1 | 0 | 0 | 112.5 | Q124 L128 V129 L130 | Q124-E126 PolarHBondContact O-N 2.63Å; Q124-E126 VanDerWaalsContact O-N 3.08Å; E126-L128 PolarHBondContact O-N 3.39Å; E126-V129 PolarHBondContact O-N 2.96Å; E126-L130 WeakPolarHBondContact O-CB 3.32Å; E126-L130 VanDerWaalsContact O-CG 3.29Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.02Å |
| 127 | M | 73.8 | Confident | 80.3 | Confident | 92 Ų | 92 | 106 Ų | 106 | 45% | 0.453 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 179.7 | -64.8 | -60 | -74.6 | 0 | 0 | 111.5 | Q124 P125 L130 I131 | Q124-M127 HydrophobicContact CB-CB 4.44Å; Q124-M127 HydrophobicContact CB-CG 4.07Å; Q124-M127 PolarHBondContact O-N 3.33Å; P125-M127 VanDerWaalsContact C-N 3.34Å; P125-M127 PolarHBondContact O-N 2.56Å; M127-L130 PolarHBondContact O-N 3.44Å; M127-L130 HydrophobicContact SD-CD1 4.27Å; M127-I131 WeakPolarHBondContact O-CD1 3.19Å; M127-I131 VanDerWaalsContact O-CG1 3.23Å; M127-I131 WeakPolarHBondContact O-CG1 3.38Å; M127-I131 PolarHBondContact O-N 3.46Å |
| 128 | L | 72.9 | Confident | 80.5 | Confident | 68 Ų | 68 | 108.4 Ų | 108.4 | 36% | 0.356 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 174.7 | -116.1 | 161.8 | 0 | 0 | 0 | 111.9 | F121 P125 E126 I131 L132 | F121-L128 HydrophobicContact CD1-CD1 3.53Å; F121-L128 HydrophobicContact CD1-CG 3.93Å; F121-L128 HydrophobicContact CE1-CB 4.5Å; F121-L128 HydrophobicContact CE1-CD1 3.34Å; F121-L128 HydrophobicContact CE1-CD2 3.81Å; F121-L128 HydrophobicContact CE1-CG 3.23Å; F121-L128 HydrophobicContact CZ-CD1 4.26Å; F121-L128 HydrophobicContact CZ-CD2 4.28Å; F121-L128 HydrophobicContact CZ-CG 3.7Å; P125-L128 WeakPolarHBondContact O-CB 3.1Å; P125-L128 PolarHBondContact O-N 3.23Å; E126-L128 PolarHBondContact O-N 3.39Å; L128-I131 PolarHBondContact O-N 3.42Å; L128-L132 HydrophobicContact CD2-CD1 4.48Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 3.48Å |
| 129 | V | 80.3 | Confident | 80.4 | Confident | 86 Ų | 86 | 111 Ų | 111 | 52% | 0.521 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | P125 E126 I131 L132 V133 | P125-V129 WeakPolarHBondContact O-CG2 3.28Å; P125-V129 PolarHBondContact O-N 3.29Å; E126-V129 PolarHBondContact O-N 2.96Å; V129-I131 PolarHBondContact O-N 3.36Å; V129-L132 PolarHBondContact O-N 3.01Å; V129-V133 HydrophobicContact CG1-CG2 4.14Å; V129-V133 WeakPolarHBondContact O-CB 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.35Å; V129-V133 PolarHBondContact O-N 2.93Å |
| 130 | L | 81.3 | Confident | 80.6 | Confident | 108 Ų | 108 | 113.3 Ų | 113.3 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.4 | -42.4 | 176.7 | -73 | 172.3 | 0 | 0 | 0 | 112.3 | E126 M127 V133 C134 | E126-L130 WeakPolarHBondContact O-CB 3.32Å; E126-L130 VanDerWaalsContact O-CG 3.29Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.02Å; M127-L130 PolarHBondContact O-N 3.44Å; M127-L130 HydrophobicContact SD-CD1 4.27Å; L130-V133 PolarHBondContact O-N 2.84Å; L130-C134 WeakPolarHBondContact O-CB 3.38Å; L130-C134 PolarHBondContact O-N 3.02Å |
| 131 | I | 81.7 | Confident | 80.7 | Confident | 90 Ų | 90 | 114.4 Ų | 114.4 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -45.2 | 176 | -68.4 | 163.5 | 0 | 0 | 0 | 110.7 | F121 M127 L128 V129 C134 W135 | F121-I131 HydrophobicContact CE2-CD1 4.38Å; F121-I131 HydrophobicContact CZ-CD1 4.17Å; M127-I131 WeakPolarHBondContact O-CD1 3.19Å; M127-I131 VanDerWaalsContact O-CG1 3.23Å; M127-I131 WeakPolarHBondContact O-CG1 3.38Å; M127-I131 PolarHBondContact O-N 3.46Å; L128-I131 PolarHBondContact O-N 3.42Å; V129-I131 PolarHBondContact O-N 3.36Å; I131-C134 PolarHBondContact O-N 3.48Å; I131-W135 WeakPolarHBondContact O-CB 3.4Å; I131-W135 PolarHBondContact O-N 3.22Å |
| 132 | L | 82.2 | Confident | 81 | Confident | 98 Ų | 98 | 122.9 Ų | 122.9 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.7 | -43.2 | 177.9 | -73.6 | 171.8 | 0 | 0 | 0 | 112.3 | L128 V129 C134 W135 I136 | L128-L132 HydrophobicContact CD2-CD1 4.48Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 3.48Å; V129-L132 PolarHBondContact O-N 3.01Å; L132-C134 VanDerWaalsContact C-N 3.33Å; L132-C134 PolarHBondContact O-N 3.11Å; L132-W135 PolarHBondContact O-N 3.3Å; L132-I136 WeakPolarHBondContact O-CB 3.29Å; L132-I136 WeakPolarHBondContact O-CD1 3.41Å; L132-I136 WeakPolarHBondContact O-CG1 3.21Å; L132-I136 PolarHBondContact O-N 2.87Å |
| 133 | V | 87.5 | Confident | 81.3 | Confident | 73 Ų | 73 | 124.3 Ų | 124.3 | 44% | 0.442 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.8 | -44.3 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | V129 L130 I136 W137 | V129-V133 HydrophobicContact CG1-CG2 4.14Å; V129-V133 WeakPolarHBondContact O-CB 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.35Å; V129-V133 PolarHBondContact O-N 2.93Å; L130-V133 PolarHBondContact O-N 2.84Å; V133-I136 PolarHBondContact O-N 2.93Å; V133-W137 WeakPolarHBondContact O-CB 3.25Å; V133-W137 PolarHBondContact O-N 3.5Å |
| 134 | C | 87.7 | Confident | 81.8 | Confident | 74 Ų | 74 | 124.6 Ų | 124.6 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.9 | -41.7 | 177.7 | -158.4 | 0 | 0 | 0 | 0 | 111.5 | L130 I131 L132 W137 L138 | L130-C134 WeakPolarHBondContact O-CB 3.38Å; L130-C134 PolarHBondContact O-N 3.02Å; I131-C134 PolarHBondContact O-N 3.48Å; L132-C134 VanDerWaalsContact C-N 3.33Å; L132-C134 PolarHBondContact O-N 3.11Å; C134-W137 PolarHBondContact O-N 3.08Å; C134-L138 WeakPolarHBondContact O-CB 3.21Å; C134-L138 PolarHBondContact O-N 2.92Å |
| 135 | W | 87.9 | Confident | 82.3 | Confident | 181 Ų | 181 | 125 Ų | 125 | 69% | 0.686 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.3 | -46 | 175.1 | -175.2 | -85.2 | 0 | 0 | 0 | 112.4 | I131 L132 W137 L138 H139 | I131-W135 WeakPolarHBondContact O-CB 3.4Å; I131-W135 PolarHBondContact O-N 3.22Å; L132-W135 PolarHBondContact O-N 3.3Å; W135-W137 VanDerWaalsContact C-N 3.32Å; W135-W137 PolarHBondContact O-N 2.86Å; W135-L138 PolarHBondContact O-N 3.49Å; W135-H139 WeakPolarHBondContact O-CB 3.27Å; W135-H139 PolarHBondContact O-N 3.07Å |
| 136 | I | 90.7 | Very high | 82.9 | Confident | 102 Ų | 102 | 127.8 Ų | 127.8 | 52% | 0.523 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.8 | -41.3 | 176.6 | -67.9 | 164 | 0 | 0 | 0 | 110.5 | L132 V133 H139 R140 | L132-I136 WeakPolarHBondContact O-CB 3.29Å; L132-I136 WeakPolarHBondContact O-CD1 3.41Å; L132-I136 WeakPolarHBondContact O-CG1 3.21Å; L132-I136 PolarHBondContact O-N 2.87Å; V133-I136 PolarHBondContact O-N 2.93Å; I136-H139 PolarHBondContact O-N 2.87Å; I136-R140 WeakPolarHBondContact O-CG 3.31Å; I136-R140 PolarHBondContact O-N 3.4Å |
| 137 | W | 91.3 | Very high | 83.2 | Confident | 177 Ų | 177 | 126.1 Ų | 126.1 | 67% | 0.67 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.2 | -44.9 | 176 | -108.5 | 86.1 | 0 | 0 | 0 | 112.3 | V133 C134 W135 R140 L141 | V133-W137 WeakPolarHBondContact O-CB 3.25Å; V133-W137 PolarHBondContact O-N 3.5Å; C134-W137 PolarHBondContact O-N 3.08Å; W135-W137 VanDerWaalsContact C-N 3.32Å; W135-W137 PolarHBondContact O-N 2.86Å; W137-R140 PolarHBondContact O-N 3.04Å; W137-R140 VanDerWaalsContact O-N 3.14Å; W137-L141 HydrophobicContact CE3-CD1 3.94Å; W137-L141 HydrophobicContact CE3-CG 4.44Å; W137-L141 HydrophobicContact CZ3-CD1 4.37Å; W137-L141 PolarHBondContact O-N 2.76Å |
| 138 | L | 88.9 | Confident | 83.8 | Confident | 115 Ų | 115 | 128.4 Ų | 128.4 | 60% | 0.602 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.3 | -43.4 | 175.6 | -104.7 | 141.4 | 0 | 0 | 0 | 112 | C134 W135 R140 L141 Y142 | C134-L138 WeakPolarHBondContact O-CB 3.21Å; C134-L138 PolarHBondContact O-N 2.92Å; W135-L138 PolarHBondContact O-N 3.49Å; L138-R140 PolarHBondContact O-N 2.92Å; L138-L141 PolarHBondContact O-N 3.01Å; L138-L141 VanDerWaalsContact O-N 3.13Å; L138-Y142 PolarHBondContact O-N 3.13Å |
| 139 | H | 81.9 | Confident | 84.6 | Confident | 138 Ų | 138 | 132.7 Ų | 132.7 | 64% | 0.639 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.3 | -18.4 | 177 | -162.8 | -61.5 | 0 | 0 | 0 | 112.9 | W135 I136 | W135-H139 WeakPolarHBondContact O-CB 3.27Å; W135-H139 PolarHBondContact O-N 3.07Å; I136-H139 PolarHBondContact O-N 2.87Å |
| 140 | R | 84.8 | Confident | 84.9 | Confident | 215 Ų | 215 | 136.3 Ų | 136.3 | 81% | 0.811 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -85.6 | -17.7 | 172.6 | -77.7 | -74 | -169 | 162.3 | 1.6 | 113.2 | I136 W137 L138 | I136-R140 WeakPolarHBondContact O-CG 3.31Å; I136-R140 PolarHBondContact O-N 3.4Å; W137-R140 PolarHBondContact O-N 3.04Å; W137-R140 VanDerWaalsContact O-N 3.14Å; L138-R140 PolarHBondContact O-N 2.92Å |
| 141 | L | 81.2 | Confident | 85.2 | Confident | 131 Ų | 131 | 138.7 Ų | 138.7 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -92 | -17.2 | 179.4 | -79.7 | 164 | 0 | 0 | 0 | 113.4 | W137 L138 | W137-L141 HydrophobicContact CE3-CD1 3.94Å; W137-L141 HydrophobicContact CE3-CG 4.44Å; W137-L141 HydrophobicContact CZ3-CD1 4.37Å; W137-L141 PolarHBondContact O-N 2.76Å; L138-L141 PolarHBondContact O-N 3.01Å; L138-L141 VanDerWaalsContact O-N 3.13Å |
| 142 | Y | 77.2 | Confident | 85.6 | Confident | 270 Ų | 270 | 143.1 Ų | 143.1 | 100% | 1.059 | 65% | 0.648 | S | S | * | * | trans | -101.4 | 0 | 175.2 | -149.9 | -87.1 | 0 | 0 | 0 | 110.7 | L138 | L138-Y142 PolarHBondContact O-N 3.13Š|
Retrieved 142 of 142 residues in 144.2 ms
(Link to these results)