| 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 | 41.7 | Very low | 36.8 | Very low | 233 Ų | 233 | 136.1 Ų | 136.1 | 100% | 1.148 | 81% | 0.806 | S | S | * | * | 0 | 83.9 | 0 | -71.3 | 170.1 | 172.1 | 0 | 0 | 106.1 | |||||
| 2 | T | 38 | Very low | 36.9 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | 65.6 | 97.2 | 110.6 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 3 | G | 31.9 | Very low | 36.9 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | 74.7 | 114.7 | 56 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 4 | G | 32.1 | Very low | 37.5 | Very low | 71 Ų | 71 | 144.7 Ų | 144.7 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | cis | 129.9 | 104.1 | 38.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | K6 | G4-K6 PolarHBondContact O-N 3.45Š| ||
| 5 | L | 43.3 | Very low | 37.5 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 98% | 0.979 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 99.2 | -179.4 | -118.1 | 86.1 | 0 | 0 | 0 | 108.9 | ||||
| 6 | K | 39.7 | Very low | 37.8 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -160.4 | 143.8 | 173.6 | -89.2 | -165.1 | 135 | -121.7 | 0 | 104.8 | G4 | G4-K6 PolarHBondContact O-N 3.45Š| ||
| 7 | D | 34.7 | Very low | 37.9 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -162.9 | 169.9 | 7.8 | -84.9 | -35.9 | 0 | 0 | 0 | 105 | ||||
| 8 | G | 31.8 | Very low | 38.4 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | 146.6 | 79 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 9 | E | 34 | Very low | 38.7 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | 59.1 | 99.6 | 98.2 | -85.6 | 173.2 | 87.2 | 0 | 0 | 112.5 | |||||
| 10 | T | 42 | Very low | 39.1 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | 75.8 | 115.5 | 105.6 | -24.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 11 | D | 36.2 | Very low | 39.1 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | 167.2 | 121.6 | 120.4 | -79.3 | -22.2 | 0 | 0 | 0 | 110.2 | |||||
| 12 | E | 37.1 | Very low | 39.3 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 71.8 | 133.8 | 145.9 | -57.2 | -172.2 | 164.8 | 0 | 0 | 116.2 | ||||
| 13 | E | 37.1 | Very low | 39.5 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | cis | -165.8 | 122.7 | 35.2 | -143.7 | 169.1 | 132.6 | 0 | 0 | 107.8 | L15 | E13-L15 HydrophobicContact CG-CD1 4.28Å; E13-L15 PolarHBondContact O-N 2.92Å; E13-L15 WeakPolarHBondContact OE1-CD1 3.25Å | ||
| 14 | F | 45.9 | Very low | 39.9 | Very low | 221 Ų | 221 | 143.1 Ų | 143.1 | 97% | 0.969 | 76% | 0.755 | S | S | * | * | trans | -65.3 | 78.3 | 163.5 | -128.9 | -96.4 | 0 | 0 | 0 | 107.8 | ||||
| 15 | L | 37.7 | Very low | 40.1 | Very low | 125 Ų | 125 | 146 Ų | 146 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | trans | -112.1 | 90.2 | -179.1 | -148.9 | 124.4 | 0 | 0 | 0 | 112.4 | E13 | E13-L15 HydrophobicContact CG-CD1 4.28Å; E13-L15 PolarHBondContact O-N 2.92Å; E13-L15 WeakPolarHBondContact OE1-CD1 3.25Å | ||
| 16 | H | 41.3 | Very low | 40.5 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 23.4 | 104.2 | 137.5 | -91.4 | -77.8 | 0 | 0 | 0 | 116.3 | P18 | H16-P18 WeakPolarHBondContact O-CD 3.46Š| ||
| 17 | S | 39.9 | Very low | 40.9 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | -54.2 | 120 | 160.8 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | F19 | S17-F19 PolarHBondContact O-N 3.31Š| ||
| 18 | P | 46.1 | Very low | 41.1 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | trans | -92.1 | 89.1 | -173.4 | 34.9 | -30.1 | 0 | 0 | 0 | 109.5 | H16 | H16-P18 WeakPolarHBondContact O-CD 3.46Š| ||
| 19 | F | 45.3 | Very low | 41.4 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 80% | 0.803 | 76% | 0.755 | S | S | * | * | trans | -144 | 51.7 | 159.2 | -148.4 | -100.1 | 0 | 0 | 0 | 111.7 | S17 R21 | S17-F19 PolarHBondContact O-N 3.31Å; F19-R21 PolarHBondContact O-N 2.71Å | ||
| 20 | I | 45.3 | Very low | 41.8 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | -75.6 | 101.9 | 156.3 | -56.8 | -58.9 | 0 | 0 | 0 | 106.5 | K22 | I20-K22 PolarHBondContact O-N 3.5Š| ||
| 21 | R | 40.2 | Very low | 42.2 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | trans | -56.2 | 100.1 | 167.8 | -175.7 | 176.3 | -178.4 | 170.7 | -1 | 108.2 | F19 Q23 | F19-R21 PolarHBondContact O-N 2.71Å; R21-Q23 HydrophobicContact CG-CB 4.41Å; R21-Q23 HydrophobicContact CG-CG 4.48Å; R21-Q23 PolarHBondContact O-N 3.21Å | ||
| 22 | K | 45.1 | Very low | 42.8 | Very low | 203 Ų | 203 | 150.8 Ų | 150.8 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -72.6 | 60.5 | 168.6 | -70.8 | -148.3 | 179.4 | -172 | 0 | 110.9 | I20 | I20-K22 PolarHBondContact O-N 3.5Š| ||
| 23 | Q | 43.1 | Very low | 43.6 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 60% | 0.598 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 118.8 | 152.6 | -85.4 | -167.4 | -15.3 | 0 | 0 | 106.6 | R21 N25 | R21-Q23 HydrophobicContact CG-CB 4.41Å; R21-Q23 HydrophobicContact CG-CG 4.48Å; R21-Q23 PolarHBondContact O-N 3.21Å; Q23-N25 PolarHBondContact O-N 2.89Å |
| 24 | G | 41 | Very low | 44.3 | Very low | 68 Ų | 68 | 150.9 Ų | 150.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 130.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I26 | G24-I26 PolarHBondContact O-N 3.37Å; G24-I26 VanDerWaalsContact O-N 3.09Å |
| 25 | N | 36.2 | Very low | 44.3 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 116.9 | 173.8 | -62.6 | 22.7 | 0 | 0 | 0 | 107.9 | Q23 Y27 K28 | Q23-N25 PolarHBondContact O-N 2.89Å; N25-Y27 PolarHBondContact O-N 3.49Å; N25-K28 PolarHBondContact O-N 2.89Å |
| 26 | I | 50.1 | Low | 44.9 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -14.2 | 175.8 | -63.6 | 171.9 | 0 | 0 | 0 | 111.4 | G24 | G24-I26 PolarHBondContact O-N 3.37Å; G24-I26 VanDerWaalsContact O-N 3.09Å |
| 27 | Y | 48.7 | Very low | 45.2 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 16.7 | -177.6 | -58.1 | -77.3 | 0 | 0 | 0 | 115.2 | N25 P29 | N25-Y27 PolarHBondContact O-N 3.49Å; Y27-P29 WeakPolarHBondContact O-CD 3.08Å |
| 28 | K | 39.6 | Very low | 45.7 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | trans | -97.5 | 91.1 | 168.8 | -164.3 | 160.7 | -172.7 | 170.9 | 0 | 109 | N25 N30 | N25-K28 PolarHBondContact O-N 2.89Å; K28-N30 PolarHBondContact O-N 3.19Å; K28-N30 VanDerWaalsContact O-N 3.08Å | ||
| 29 | P | 37.8 | Very low | 45.7 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -62.9 | 117.6 | 170.4 | 26.2 | -31.4 | 0 | 0 | 0 | 107.7 | Y27 N31 | Y27-P29 WeakPolarHBondContact O-CD 3.08Å; P29-N31 PolarHBondContact O-N 3.44Å | ||
| 30 | N | 41.9 | Very low | 45.7 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -66.7 | 100.4 | 172.5 | 174.8 | 74.5 | 0 | 0 | 0 | 107.7 | K28 K32 | K28-N30 PolarHBondContact O-N 3.19Å; K28-N30 VanDerWaalsContact O-N 3.08Å; N30-K32 VanDerWaalsContact C-N 3.29Å; N30-K32 WeakPolarHBondContact ND2-CD 3.44Å; N30-K32 WeakPolarHBondContact ND2-CG 3.48Å; N30-K32 PolarHBondContact O-N 3.32Å | ||
| 31 | N | 50.5 | Low | 45.7 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -66.1 | 93.7 | 170.5 | -156.1 | 62.7 | 0 | 0 | 0 | 107.6 | P29 | P29-N31 PolarHBondContact O-N 3.44Š| ||
| 32 | K | 48.3 | Very low | 45.8 | Very low | 163 Ų | 163 | 142 Ų | 142 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | -94.2 | 118.1 | 159.4 | -98.8 | 171.1 | -175.8 | 168.4 | 0 | 105.8 | N30 M34 | N30-K32 VanDerWaalsContact C-N 3.29Å; N30-K32 WeakPolarHBondContact ND2-CD 3.44Å; N30-K32 WeakPolarHBondContact ND2-CG 3.48Å; N30-K32 PolarHBondContact O-N 3.32Å; K32-M34 PolarHBondContact O-N 2.94Å | ||
| 33 | D | 54.9 | Low | 45.8 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | -47.2 | 121.6 | 173.2 | -46.1 | -65.4 | 0 | 0 | 0 | 109.3 | ||||
| 34 | M | 51.6 | Low | 45.9 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | trans | -138.1 | 126.8 | 169.7 | -88.7 | -69.1 | -176.4 | 0 | 0 | 107.6 | K32 | K32-M34 PolarHBondContact O-N 2.94Š| ||
| 35 | D | 45.5 | Very low | 46.3 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -70.2 | 150.3 | -154.3 | -58.3 | -61.4 | 0 | 0 | 0 | 114.9 | D37 | D35-D37 PolarHBondContact O-N 3.17Š| ||
| 36 | N | 51.5 | Low | 46.5 | Very low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -57.7 | 115.8 | 165.4 | 167 | 41.9 | 0 | 0 | 0 | 111.7 | ||||
| 37 | D | 46.6 | Very low | 46.2 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | -168.1 | 151.3 | 122.8 | -148.2 | -9.6 | 0 | 0 | 0 | 110.2 | D35 | D35-D37 PolarHBondContact O-N 3.17Š| |||
| 38 | S | 50.8 | Low | 46.3 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 75.3 | 69.7 | 165 | 66.6 | 0 | 0 | 0 | 0 | 120.4 | ||
| 39 | M | 46.1 | Very low | 46.7 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -163.3 | 48.9 | 137.1 | -151.9 | 70.8 | 71.2 | 0 | 0 | 113.6 | G41 | M39-G41 PolarHBondContact O-N 3.44Š| ||
| 40 | S | 44.5 | Very low | 47.1 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 94% | 0.944 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 10 | 179.5 | -171 | 0 | 0 | 0 | 0 | 114.9 | ||
| 41 | G | 45.8 | Very low | 47.7 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -12.2 | -168 | 0 | 0 | 0 | 0 | 0 | 117.6 | M39 | M39-G41 PolarHBondContact O-N 3.44Š|
| 42 | M | 42.1 | Very low | 47.8 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -138.2 | 46.7 | -164.6 | -160.9 | 95.5 | 166.3 | 0 | 0 | 112.9 | ||
| 43 | K | 45.3 | Very low | 48.2 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -132.5 | 20.5 | 176.9 | -83 | -169.6 | 176.4 | -178.6 | 0 | 114.7 | M45 | K43-M45 VanDerWaalsContact C-N 3.35Š| ||
| 44 | T | 45.7 | Very low | 48.2 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 13.1 | -179.8 | -32.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 45 | M | 48.1 | Very low | 48.5 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 94% | 0.936 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 29.4 | 179.2 | -87.2 | -98.5 | -167.9 | 0 | 0 | 112.1 | K43 | K43-M45 VanDerWaalsContact C-N 3.35Š|
| 46 | Q | 41.3 | Very low | 49.1 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -102.4 | 103.2 | 171.1 | -97.4 | 173.7 | -16.9 | 0 | 0 | 109.9 | V48 | Q46-V48 PolarHBondContact O-N 3.35Š|
| 47 | D | 43.4 | Very low | 49.7 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | trans | 46.1 | 71.4 | 146.6 | -101.8 | -48.7 | 0 | 0 | 0 | 117.8 | H49 T50 | D47-H49 PolarHBondContact O-N 2.76Å; D47-H49 VanDerWaalsContact O-N 3.17Å; D47-T50 PolarHBondContact O-N 3.36Å | ||
| 48 | V | 50.7 | Low | 50.4 | Low | 148 Ų | 148 | 138.4 Ų | 138.4 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -16.2 | 161.8 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | Q46 | Q46-V48 PolarHBondContact O-N 3.35Š|
| 49 | H | 48.7 | Very low | 51 | Low | 175 Ų | 175 | 135.3 Ų | 135.3 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -16.1 | -178.7 | -161.5 | 62 | 0 | 0 | 0 | 114.2 | D47 | D47-H49 PolarHBondContact O-N 2.76Å; D47-H49 VanDerWaalsContact O-N 3.17Å |
| 50 | T | 47 | Very low | 52 | Low | 80 Ų | 80 | 132 Ų | 132 | 49% | 0.491 | 70% | 0.698 | S | S | . | * | trans | -124.6 | 70.5 | -179.8 | -44 | 0 | 0 | 0 | 0 | 109.5 | D47 E52 | D47-T50 PolarHBondContact O-N 3.36Å; T50-E52 PolarHBondContact O-N 3.24Å | ||
| 51 | K | 52.7 | Low | 53.3 | Low | 188 Ų | 188 | 133.8 Ų | 133.8 | 82% | 0.817 | 69% | 0.689 | S | S | * | * | trans | -54.1 | 117.9 | 153.6 | -84.9 | -175.5 | 175.5 | 176.1 | 0 | 105.7 | I53 | K51-I53 PolarHBondContact O-N 3.38Š| ||
| 52 | E | 52.7 | Low | 54.2 | Low | 193 Ų | 193 | 135.7 Ų | 135.7 | 90% | 0.902 | 68% | 0.679 | S | S | * | * | trans | -44.4 | 101.6 | -174.9 | -65.6 | -177.8 | 159.9 | 0 | 0 | 110.3 | T50 D54 | T50-E52 PolarHBondContact O-N 3.24Å; E52-D54 PolarHBondContact O-N 3.24Å | ||
| 53 | I | 56.7 | Low | 55.4 | Low | 129 Ų | 129 | 133.8 Ų | 133.8 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | trans | -73.8 | 114.5 | 173.7 | 41.8 | 160.5 | 0 | 0 | 0 | 106.7 | K51 L55 | K51-I53 PolarHBondContact O-N 3.38Å; I53-L55 HydrophobicContact CD1-CD2 4.4Å; I53-L55 PolarHBondContact O-N 2.67Å | ||
| 54 | D | 55.8 | Low | 56.4 | Low | 88 Ų | 88 | 130 Ų | 130 | 47% | 0.471 | 66% | 0.658 | S | S | . | * | trans | -67.9 | 103.8 | 172.7 | -171.4 | -10.3 | 0 | 0 | 0 | 108.7 | E52 V56 N57 | E52-D54 PolarHBondContact O-N 3.24Å; D54-V56 PolarHBondContact O-N 2.87Å; D54-V56 WeakPolarHBondContact OD1-CA 3.48Å; D54-V56 VanDerWaalsContact OD1-CB 3.29Å; D54-V56 WeakPolarHBondContact OD1-CB 3.37Å; D54-V56 PolarHBondContact OD1-N 2.76Å; D54-N57 HydrophobicContact CB-CB 4.48Å; D54-N57 CarbonylContact O-C 3.56Å; D54-N57 PolarHBondContact OD1-N 3.24Å; D54-N57 WeakPolarHBondContact OD2-CB 3.38Å; D54-N57 PolarHBondContact OD2-N 3.43Å | ||
| 55 | L | 58.7 | Low | 57.2 | Low | 127 Ų | 127 | 126.7 Ų | 126.7 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -70.7 | -17.5 | 178.7 | -71.3 | 150.6 | 0 | 0 | 0 | 112 | I53 | I53-L55 HydrophobicContact CD1-CD2 4.4Å; I53-L55 PolarHBondContact O-N 2.67Å |
| 56 | V | 58 | Low | 57.7 | Low | 138 Ų | 138 | 124.9 Ų | 124.9 | 84% | 0.836 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -92.3 | -49.7 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | D54 | D54-V56 PolarHBondContact O-N 2.87Å; D54-V56 WeakPolarHBondContact OD1-CA 3.48Å; D54-V56 VanDerWaalsContact OD1-CB 3.29Å; D54-V56 WeakPolarHBondContact OD1-CB 3.37Å; D54-V56 PolarHBondContact OD1-N 2.76Å |
| 57 | N | 62.6 | Low | 58.4 | Low | 63 Ų | 63 | 123.6 Ų | 123.6 | 34% | 0.337 | 63% | 0.631 | S | S | . | * | trans | -100.2 | 92.3 | 173.2 | -167.3 | -4.7 | 0 | 0 | 0 | 112 | D54 D59 | D54-N57 HydrophobicContact CB-CB 4.48Å; D54-N57 CarbonylContact O-C 3.56Å; D54-N57 PolarHBondContact OD1-N 3.24Å; D54-N57 WeakPolarHBondContact OD2-CB 3.38Å; D54-N57 PolarHBondContact OD2-N 3.43Å; N57-D59 VanDerWaalsContact C-N 3.3Å; N57-D59 PolarHBondContact OD1-N 2.89Å; N57-D59 PolarHBondContact OD1-O 2.91Å | ||
| 58 | R | 61.4 | Low | 59 | Low | 202 Ų | 202 | 122.8 Ų | 122.8 | 76% | 0.762 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -81.5 | -7 | 179.4 | -61.4 | -176.8 | -177.2 | -164.6 | -2.7 | 114.2 | P60 | R58-P60 VanDerWaalsContact C-CD 3.5Š|
| 59 | D | 63.9 | Low | 59.2 | Low | 31 Ų | 31 | 122.7 Ų | 122.7 | 17% | 0.166 | 62% | 0.617 | C | S | . | * | trans | -130.6 | 67 | 173 | -172.4 | 8.6 | 0 | 0 | 0 | 110.8 | N57 K61 H62 I63 N64 | N57-D59 VanDerWaalsContact C-N 3.3Å; N57-D59 PolarHBondContact OD1-N 2.89Å; N57-D59 PolarHBondContact OD1-O 2.91Å; D59-K61 PolarHBondContact O-N 3.32Å; D59-H62 PolarHBondContact O-N 3.24Å; D59-H62 VanDerWaalsContact O-N 3.09Å; D59-H62 WeakPolarHBondContact OD1-CA 3.32Å; D59-H62 PolarHBondContact OD1-N 3.47Å; D59-H62 VanDerWaalsContact OD2-C 3.3Å; D59-H62 WeakPolarHBondContact OD2-CA 3.32Å; D59-I63 VanDerWaalsContact CG-N 3.32Å; D59-I63 WeakPolarHBondContact OD1-CG1 3.28Å; D59-I63 PolarHBondContact OD1-N 2.65Å; D59-I63 PolarHBondContact OD2-N 3.3Å; D59-N64 WeakPolarHBondContact OD2-CB 3.12Å; D59-N64 PolarHBondContact OD2-N 2.75Å | ||
| 60 | P | 67.9 | Low | 59.6 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -9.9 | -178.3 | 29.2 | -35.8 | 0 | 0 | 0 | 113.3 | R58 | R58-P60 VanDerWaalsContact C-CD 3.5Š|
| 61 | K | 70.2 | Confident | 60.1 | Low | 173 Ų | 173 | 119.1 Ų | 119.1 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 2.1 | 178.7 | -66.6 | -176.5 | -179.4 | 180 | 0 | 112.7 | D59 I63 | D59-K61 PolarHBondContact O-N 3.32Å; K61-I63 HydrophobicContact CB-CG2 3.96Å; K61-I63 PolarHBondContact O-N 3.47Å |
| 62 | H | 65.7 | Low | 60.2 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | trans | 52.6 | 35.9 | 178.9 | -65.7 | -84.9 | 0 | 0 | 0 | 113.1 | D59 N64 D65 | D59-H62 PolarHBondContact O-N 3.24Å; D59-H62 VanDerWaalsContact O-N 3.09Å; D59-H62 WeakPolarHBondContact OD1-CA 3.32Å; D59-H62 PolarHBondContact OD1-N 3.47Å; D59-H62 VanDerWaalsContact OD2-C 3.3Å; D59-H62 WeakPolarHBondContact OD2-CA 3.32Å; H62-N64 VanDerWaalsContact C-N 3.26Å; H62-N64 PolarHBondContact O-N 3.34Å; H62-D65 WeakPolarHBondContact CB-OD2 3.18Å; H62-D65 IonicContact CE1-OD2 3.85Å; H62-D65 IonicContact CG-OD2 3.42Å; H62-D65 IonicContact ND1-OD1 3.58Å; H62-D65 IonicContact ND1-OD2 2.76Å; H62-D65 PolarHBondContact ND1-OD2 2.77Å | ||
| 63 | I | 67.7 | Low | 60.4 | Low | 125 Ų | 125 | 107.5 Ų | 107.5 | 64% | 0.641 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -19.7 | -178 | 54 | 155.4 | 0 | 0 | 0 | 112.8 | D59 K61 | D59-I63 VanDerWaalsContact CG-N 3.32Å; D59-I63 WeakPolarHBondContact OD1-CG1 3.28Å; D59-I63 PolarHBondContact OD1-N 2.65Å; D59-I63 PolarHBondContact OD2-N 3.3Å; K61-I63 HydrophobicContact CB-CG2 3.96Å; K61-I63 PolarHBondContact O-N 3.47Å |
| 64 | N | 66.1 | Low | 60.5 | Low | 82 Ų | 82 | 107.1 Ų | 107.1 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.2 | 4.2 | -174.4 | -69.8 | 15.4 | 0 | 0 | 0 | 113.9 | D59 H62 D66 V67 V68 | D59-N64 WeakPolarHBondContact OD2-CB 3.12Å; D59-N64 PolarHBondContact OD2-N 2.75Å; H62-N64 VanDerWaalsContact C-N 3.26Å; H62-N64 PolarHBondContact O-N 3.34Å; N64-D66 PolarHBondContact O-N 3.25Å; N64-D66 VanDerWaalsContact O-N 3.15Å; N64-V67 PolarHBondContact O-N 3.35Å; N64-V68 HydrophobicContact CB-CG2 4.4Å |
| 65 | D | 62.3 | Low | 60.6 | Low | 71 Ų | 71 | 106.8 Ų | 106.8 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -25 | -173 | -87.1 | 3 | 0 | 0 | 0 | 114.1 | H62 K69 | H62-D65 WeakPolarHBondContact CB-OD2 3.18Å; H62-D65 IonicContact CE1-OD2 3.85Å; H62-D65 IonicContact CG-OD2 3.42Å; H62-D65 IonicContact ND1-OD1 3.58Å; H62-D65 IonicContact ND1-OD2 2.76Å; H62-D65 PolarHBondContact ND1-OD2 2.77Å; D65-K69 WeakPolarHBondContact O-CE 3.29Å; D65-K69 PolarHBondContact O-NZ 3.41Å |
| 66 | D | 58.6 | Low | 60.6 | Low | 152 Ų | 152 | 104.8 Ų | 104.8 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -11 | -175.1 | -61.2 | -35.2 | 0 | 0 | 0 | 114.2 | N64 | N64-D66 PolarHBondContact O-N 3.25Å; N64-D66 VanDerWaalsContact O-N 3.15Å |
| 67 | V | 56.2 | Low | 60.5 | Low | 116 Ų | 116 | 102.1 Ų | 102.1 | 70% | 0.703 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -23.2 | -168.2 | -179.3 | 0 | 0 | 0 | 0 | 113.3 | N64 | N64-V67 PolarHBondContact O-N 3.35Š|
| 68 | V | 54.9 | Low | 60.1 | Low | 97 Ų | 97 | 102.3 Ų | 102.3 | 59% | 0.588 | 53% | 0.533 | S | S | * | . | trans | -119.3 | 38 | -168.9 | -163 | 0 | 0 | 0 | 0 | 112.5 | N64 | N64-V68 HydrophobicContact CB-CG2 4.4Š| ||
| 69 | K | 55.6 | Low | 59.7 | Low | 146 Ų | 146 | 97 Ų | 97 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | trans | -108.9 | 83.8 | 169.1 | -68.5 | 173.3 | -178.9 | 143.3 | 0 | 108.1 | D65 | D65-K69 WeakPolarHBondContact O-CE 3.29Å; D65-K69 PolarHBondContact O-NZ 3.41Å | ||
| 70 | V | 56.4 | Low | 59.1 | Low | 80 Ų | 80 | 99.5 Ų | 99.5 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | trans | -110.8 | 103.4 | 170.2 | -179.8 | 0 | 0 | 0 | 0 | 106.3 | V75 | V70-V75 HydrophobicContact CG1-CG2 3.48Å; V70-V75 VanDerWaalsContact CG1-CG2 3.48Å | ||
| 71 | D | 57.9 | Low | 58.5 | Low | 101 Ų | 101 | 98.5 Ų | 98.5 | 54% | 0.54 | 56% | 0.556 | S | S | . | * | trans | -86.4 | 153.2 | 179.2 | -72.8 | -39.6 | 0 | 0 | 0 | 110.7 | E73 D74 | D71-E73 PolarHBondContact O-N 2.88Å; D71-D74 PolarHBondContact N-OD2 3.06Å; D71-D74 WeakPolarHBondContact O-CB 3.47Å; D71-D74 PolarHBondContact O-N 3.47Å | ||
| 72 | F | 54.5 | Low | 57.5 | Low | 12 Ų | 12 | 95 Ų | 95 | 5% | 0.053 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -57.4 | -33.6 | -178.9 | 174.8 | -102 | 0 | 0 | 0 | 112.1 | D74 V75 I76 W89 F93 F96 | F72-D74 VanDerWaalsContact C-N 3.31Å; F72-D74 PolarHBondContact O-N 3.11Å; F72-V75 PolarHBondContact O-N 2.85Å; F72-I76 HydrophobicContact CZ-CB 4.49Å; F72-I76 PolarHBondContact O-N 3.31Å; F72-W89 HydrophobicContact CD1-CZ2 4.44Å; F72-W89 HydrophobicContact CE1-CD2 4.43Å; F72-W89 HydrophobicContact CE1-CE3 4.39Å; F72-W89 AromaticContact CE1-CH2 3.99Å; F72-W89 HydrophobicContact CE1-CH2 3.99Å; F72-W89 HydrophobicContact CE1-CZ2 4.01Å; F72-W89 HydrophobicContact CE1-CZ3 4.14Å; F72-F93 HydrophobicContact CB-CD2 3.64Å; F72-F93 HydrophobicContact CB-CE2 3.9Å; F72-F93 HydrophobicContact CD1-CB 4.09Å; F72-F93 AromaticContact CD1-CD2 3.58Å; F72-F93 HydrophobicContact CD1-CD2 3.58Å; F72-F93 HydrophobicContact CD1-CG 4.33Å; F72-F93 HydrophobicContact CE1-CB 4.07Å; F72-F93 HydrophobicContact CE1-CD2 4.39Å; F72-F93 AromaticContact CG-CD2 3.73Å; F72-F93 HydrophobicContact CG-CD2 3.73Å; F72-F93 HydrophobicContact CG-CE2 4.48Å; F72-F93 HydrophobicContact CZ-CB 4.49Å; F72-F96 HydrophobicContact CB-CD1 4Å; F72-F96 HydrophobicContact CB-CE1 4.19Å; F72-F96 HydrophobicContact CD2-CB 3.66Å; F72-F96 AromaticContact CD2-CD1 3.48Å; F72-F96 HydrophobicContact CD2-CD1 3.48Å; F72-F96 VanDerWaalsContact CD2-CD1 3.48Å; F72-F96 HydrophobicContact CD2-CD2 4.22Å; F72-F96 HydrophobicContact CD2-CE1 4.09Å; F72-F96 AromaticContact CD2-CG 3.53Å; F72-F96 HydrophobicContact CD2-CG 3.53Å; F72-F96 HydrophobicContact CE2-CB 3.81Å; F72-F96 HydrophobicContact CE2-CD1 4.42Å; F72-F96 HydrophobicContact CE2-CG 4.04Å; F72-F96 HydrophobicContact CG-CD1 4.2Å |
| 73 | E | 57.5 | Low | 56.9 | Low | 125 Ų | 125 | 98.3 Ų | 98.3 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.4 | -24.7 | 179.2 | -64.4 | 166.7 | 179 | 0 | 0 | 112.5 | D71 | D71-E73 PolarHBondContact O-N 2.88Å |
| 74 | D | 58.4 | Low | 56.3 | Low | 120 Ų | 120 | 94.6 Ų | 94.6 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -78.7 | -21.8 | 174.3 | -66.3 | -34.3 | 0 | 0 | 0 | 112.5 | D71 F72 | D71-D74 PolarHBondContact N-OD2 3.06Å; D71-D74 WeakPolarHBondContact O-CB 3.47Å; D71-D74 PolarHBondContact O-N 3.47Å; F72-D74 VanDerWaalsContact C-N 3.31Å; F72-D74 PolarHBondContact O-N 3.11Å |
| 75 | V | 58.3 | Low | 56 | Low | 82 Ų | 82 | 99.3 Ų | 99.3 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -99.1 | -38 | -175.6 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | V70 F72 F96 | V70-V75 HydrophobicContact CG1-CG2 3.48Å; V70-V75 VanDerWaalsContact CG1-CG2 3.48Å; F72-V75 PolarHBondContact O-N 2.85Å; V75-F96 HydrophobicContact CG2-CZ 4.44Å |
| 76 | I | 58.8 | Low | 55.9 | Low | 85 Ų | 85 | 101.5 Ų | 101.5 | 44% | 0.436 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -127.2 | 71.2 | 179.6 | -53.3 | -152.8 | 0 | 0 | 0 | 108 | F72 E78 W89 | F72-I76 HydrophobicContact CZ-CB 4.49Å; F72-I76 PolarHBondContact O-N 3.31Å; I76-E78 PolarHBondContact O-N 2.99Å; I76-E78 VanDerWaalsContact O-N 3.15Å; I76-W89 HydrophobicContact CG2-CZ3 4.41Å; I76-W89 VanDerWaalsContact O-CH2 3.28Å; I76-W89 WeakPolarHBondContact O-CH2 3.36Å |
| 77 | A | 55.8 | Low | 56 | Low | 81 Ų | 81 | 96.6 Ų | 96.6 | 67% | 0.669 | 56% | 0.557 | S | S | * | * | trans | -74.3 | 100.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 78 | E | 54.3 | Low | 56.7 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 32% | 0.318 | 55% | 0.548 | S | S | . | . | trans | -71.9 | 125.9 | 167.7 | -85.1 | -177.2 | -165.6 | 0 | 0 | 109.6 | I76 S84 W89 | I76-E78 PolarHBondContact O-N 2.99Å; I76-E78 VanDerWaalsContact O-N 3.15Å; E78-S84 WeakPolarHBondContact OE1-CB 3.11Å; E78-S84 PolarHBondContact OE1-OG 3Å; E78-S84 WeakPolarHBondContact OE2-CB 3.49Å; E78-S84 PolarHBondContact OE2-N 3.44Å; E78-S84 VanDerWaalsContact OE2-N 3.11Å; E78-S84 PolarHBondContact OE2-OG 3.33Å; E78-W89 HydrophobicContact CB-CH2 3.95Å; E78-W89 HydrophobicContact CB-CZ3 3.83Å; E78-W89 VanDerWaalsContact CD-CE3 3.42Å; E78-W89 HydrophobicContact CG-CE3 4.16Å; E78-W89 HydrophobicContact CG-CH2 4.03Å; E78-W89 HydrophobicContact CG-CZ3 3.41Å; E78-W89 VanDerWaalsContact CG-CZ3 3.41Å; E78-W89 WeakPolarHBondContact OE1-CZ3 3.29Å | ||
| 79 | P | 53.7 | Low | 57.3 | Low | 89 Ų | 89 | 93.8 Ų | 93.8 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | trans | -71 | 146.1 | 177.2 | 27.8 | -32.7 | 0 | 0 | 0 | 111.3 | G81 T82 | P79-G81 PolarHBondContact O-N 3.25Å; P79-T82 PolarHBondContact O-N 2.88Å | ||
| 80 | A | 51 | Low | 57.8 | Low | 84 Ų | 84 | 93.8 Ų | 93.8 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 9.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y83 | A80-Y83 WeakPolarHBondContact O-CE2 3.23Š|
| 81 | G | 54.1 | Low | 58.6 | Low | 69 Ų | 69 | 92.4 Ų | 92.4 | 71% | 0.711 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -11.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P79 | P79-G81 PolarHBondContact O-N 3.25Š|
| 82 | T | 50.6 | Low | 59.2 | Low | 98 Ų | 98 | 90.1 Ų | 90.1 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -140.4 | 71.3 | -177.4 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | P79 S84 | P79-T82 PolarHBondContact O-N 2.88Å; T82-S84 PolarHBondContact O-N 3.36Å |
| 83 | Y | 52.9 | Low | 60.1 | Low | 181 Ų | 181 | 93.8 Ų | 93.8 | 71% | 0.71 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 120.5 | 177.3 | -70.9 | -82 | 0 | 0 | 0 | 110.9 | A80 | A80-Y83 WeakPolarHBondContact O-CE2 3.23Š|
| 84 | S | 55.1 | Low | 60.6 | Low | 47 Ų | 47 | 91.7 Ų | 91.7 | 33% | 0.329 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 152.5 | 161.7 | -68.4 | 0 | 0 | 0 | 0 | 110.1 | E78 T82 D86 | E78-S84 WeakPolarHBondContact OE1-CB 3.11Å; E78-S84 PolarHBondContact OE1-OG 3Å; E78-S84 WeakPolarHBondContact OE2-CB 3.49Å; E78-S84 PolarHBondContact OE2-N 3.44Å; E78-S84 VanDerWaalsContact OE2-N 3.11Å; E78-S84 PolarHBondContact OE2-OG 3.33Å; T82-S84 PolarHBondContact O-N 3.36Å; S84-D86 PolarHBondContact O-N 3.08Å |
| 85 | F | 58.4 | Low | 61.5 | Low | 182 Ų | 182 | 90 Ų | 90 | 80% | 0.798 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 128.8 | 175.6 | -124.6 | -92.9 | 0 | 0 | 0 | 110.5 | G87 V88 W89 | F85-G87 PolarHBondContact O-N 3.32Å; F85-V88 HydrophobicContact CB-CG2 4.22Å; F85-V88 WeakPolarHBondContact O-CA 3.34Å; F85-V88 WeakPolarHBondContact O-CB 3.21Å; F85-V88 PolarHBondContact O-N 2.91Å; F85-W89 PolarHBondContact O-N 3.1Å |
| 86 | D | 60.2 | Low | 62.2 | Low | 117 Ų | 117 | 89.2 Ų | 89.2 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -48.5 | -32.2 | -175.7 | -78.6 | -3 | 0 | 0 | 0 | 114.4 | S84 K90 | S84-D86 PolarHBondContact O-N 3.08Å; D86-K90 WeakPolarHBondContact O-CB 3.33Å; D86-K90 WeakPolarHBondContact O-CG 3.02Å; D86-K90 PolarHBondContact O-N 3.43Å; D86-K90 VanDerWaalsContact O-N 3.1Å |
| 87 | G | 62.2 | Low | 62.7 | Low | 49 Ų | 49 | 88 Ų | 88 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F85 A91 | F85-G87 PolarHBondContact O-N 3.32Å; G87-A91 VanDerWaalsContact O-CB 3.23Å; G87-A91 WeakPolarHBondContact O-CB 3.5Å; G87-A91 PolarHBondContact O-N 2.82Å |
| 88 | V | 69.5 | Low | 63.6 | Low | 85 Ų | 85 | 87.6 Ų | 87.6 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.9 | -39 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 110 | F85 A91 S92 | F85-V88 HydrophobicContact CB-CG2 4.22Å; F85-V88 WeakPolarHBondContact O-CA 3.34Å; F85-V88 WeakPolarHBondContact O-CB 3.21Å; F85-V88 PolarHBondContact O-N 2.91Å; V88-A91 PolarHBondContact O-N 3.12Å; V88-S92 VanDerWaalsContact O-CB 3.26Å; V88-S92 WeakPolarHBondContact O-CB 3.49Å; V88-S92 PolarHBondContact O-N 3.36Å; V88-S92 PolarHBondContact O-OG 3.06Å |
| 89 | W | 68.3 | Low | 64.6 | Low | 69 Ų | 69 | 88.4 Ų | 88.4 | 26% | 0.261 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 175.5 | -173.3 | -106.7 | 0 | 0 | 0 | 111.9 | F72 I76 E78 F85 A91 S92 F93 | F72-W89 HydrophobicContact CD1-CZ2 4.44Å; F72-W89 HydrophobicContact CE1-CD2 4.43Å; F72-W89 HydrophobicContact CE1-CE3 4.39Å; F72-W89 AromaticContact CE1-CH2 3.99Å; F72-W89 HydrophobicContact CE1-CH2 3.99Å; F72-W89 HydrophobicContact CE1-CZ2 4.01Å; F72-W89 HydrophobicContact CE1-CZ3 4.14Å; I76-W89 HydrophobicContact CG2-CZ3 4.41Å; I76-W89 VanDerWaalsContact O-CH2 3.28Å; I76-W89 WeakPolarHBondContact O-CH2 3.36Å; E78-W89 HydrophobicContact CB-CH2 3.95Å; E78-W89 HydrophobicContact CB-CZ3 3.83Å; E78-W89 VanDerWaalsContact CD-CE3 3.42Å; E78-W89 HydrophobicContact CG-CE3 4.16Å; E78-W89 HydrophobicContact CG-CH2 4.03Å; E78-W89 HydrophobicContact CG-CZ3 3.41Å; E78-W89 VanDerWaalsContact CG-CZ3 3.41Å; E78-W89 WeakPolarHBondContact OE1-CZ3 3.29Å; F85-W89 PolarHBondContact O-N 3.1Å; W89-A91 PolarHBondContact O-N 2.84Å; W89-S92 PolarHBondContact O-N 3.34Å; W89-F93 WeakPolarHBondContact O-CB 3.4Å; W89-F93 PolarHBondContact O-N 3.25Å |
| 90 | K | 65.7 | Low | 65.6 | Low | 145 Ų | 145 | 89.3 Ų | 89.3 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 176.2 | -74.8 | -178.6 | 179.8 | 175.3 | 0 | 113.4 | D86 S92 T94 | D86-K90 WeakPolarHBondContact O-CB 3.33Å; D86-K90 WeakPolarHBondContact O-CG 3.02Å; D86-K90 PolarHBondContact O-N 3.43Å; D86-K90 VanDerWaalsContact O-N 3.1Å; K90-S92 VanDerWaalsContact C-N 3.35Å; K90-T94 WeakPolarHBondContact O-CB 3.42Å; K90-T94 PolarHBondContact O-N 3.37Å; K90-T94 PolarHBondContact O-OG1 3.46Å |
| 91 | A | 72.7 | Confident | 66.6 | Low | 52 Ų | 52 | 91.4 Ų | 91.4 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G87 V88 W89 T95 | G87-A91 VanDerWaalsContact O-CB 3.23Å; G87-A91 WeakPolarHBondContact O-CB 3.5Å; G87-A91 PolarHBondContact O-N 2.82Å; V88-A91 PolarHBondContact O-N 3.12Å; W89-A91 PolarHBondContact O-N 2.84Å; A91-T95 VanDerWaalsContact O-CB 3.29Å; A91-T95 WeakPolarHBondContact O-CB 3.26Å; A91-T95 PolarHBondContact O-N 3.5Å; A91-T95 PolarHBondContact O-OG1 2.87Å |
| 92 | S | 71.5 | Confident | 67.6 | Low | 52 Ų | 52 | 95.6 Ų | 95.6 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -46.7 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | V88 W89 K90 T94 T95 F96 | V88-S92 VanDerWaalsContact O-CB 3.26Å; V88-S92 WeakPolarHBondContact O-CB 3.49Å; V88-S92 PolarHBondContact O-N 3.36Å; V88-S92 PolarHBondContact O-OG 3.06Å; W89-S92 PolarHBondContact O-N 3.34Å; K90-S92 VanDerWaalsContact C-N 3.35Å; S92-T94 VanDerWaalsContact C-N 3.33Å; S92-T94 PolarHBondContact O-N 3.26Å; S92-T95 PolarHBondContact O-N 2.93Å; S92-F96 VanDerWaalsContact O-CB 3.24Å; S92-F96 WeakPolarHBondContact O-CB 3.5Å; S92-F96 PolarHBondContact O-N 3.45Å |
| 93 | F | 72.4 | Confident | 69 | Low | 90 Ų | 90 | 94 Ų | 94 | 40% | 0.395 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.2 | -46.8 | 174.3 | 177.5 | -95.6 | 0 | 0 | 0 | 112.1 | F72 W89 T97 | F72-F93 HydrophobicContact CB-CD2 3.64Å; F72-F93 HydrophobicContact CB-CE2 3.9Å; F72-F93 HydrophobicContact CD1-CB 4.09Å; F72-F93 AromaticContact CD1-CD2 3.58Å; F72-F93 HydrophobicContact CD1-CD2 3.58Å; F72-F93 HydrophobicContact CD1-CG 4.33Å; F72-F93 HydrophobicContact CE1-CB 4.07Å; F72-F93 HydrophobicContact CE1-CD2 4.39Å; F72-F93 AromaticContact CG-CD2 3.73Å; F72-F93 HydrophobicContact CG-CD2 3.73Å; F72-F93 HydrophobicContact CG-CE2 4.48Å; F72-F93 HydrophobicContact CZ-CB 4.49Å; W89-F93 WeakPolarHBondContact O-CB 3.4Å; W89-F93 PolarHBondContact O-N 3.25Å; F93-T97 WeakPolarHBondContact O-CB 3.4Å; F93-T97 PolarHBondContact O-N 2.94Å; F93-T97 VanDerWaalsContact O-N 3.08Å; F93-T97 PolarHBondContact O-OG1 3.24Å |
| 94 | T | 69.9 | Low | 70.3 | Confident | 80 Ų | 80 | 92.4 Ų | 92.4 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -48.4 | -179.5 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | K90 S92 F96 T97 V98 | K90-T94 WeakPolarHBondContact O-CB 3.42Å; K90-T94 PolarHBondContact O-N 3.37Å; K90-T94 PolarHBondContact O-OG1 3.46Å; S92-T94 VanDerWaalsContact C-N 3.33Å; S92-T94 PolarHBondContact O-N 3.26Å; T94-F96 VanDerWaalsContact C-N 3.35Å; T94-F96 PolarHBondContact O-N 3Å; T94-T97 PolarHBondContact O-N 2.86Å; T94-V98 HydrophobicContact CG2-CG2 4.34Å; T94-V98 WeakPolarHBondContact O-CB 3.38Å; T94-V98 WeakPolarHBondContact O-CG2 3.41Å; T94-V98 PolarHBondContact O-N 3.43Å |
| 95 | T | 75.6 | Confident | 71.3 | Confident | 86 Ų | 86 | 96.3 Ų | 96.3 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | -177.8 | -57 | 0 | 0 | 0 | 0 | 111.5 | A91 S92 T99 | A91-T95 VanDerWaalsContact O-CB 3.29Å; A91-T95 WeakPolarHBondContact O-CB 3.26Å; A91-T95 PolarHBondContact O-N 3.5Å; A91-T95 PolarHBondContact O-OG1 2.87Å; S92-T95 PolarHBondContact O-N 2.93Å; T95-T99 WeakPolarHBondContact O-CB 3.19Å; T95-T99 PolarHBondContact O-N 2.91Å; T95-T99 PolarHBondContact O-OG1 2.84Å |
| 96 | F | 73.1 | Confident | 72.3 | Confident | 65 Ų | 65 | 93.7 Ų | 93.7 | 29% | 0.285 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 175.5 | 177.7 | -98.5 | 0 | 0 | 0 | 111.7 | F72 V75 S92 T94 V98 T99 K100 | F72-F96 HydrophobicContact CB-CD1 4Å; F72-F96 HydrophobicContact CB-CE1 4.19Å; F72-F96 HydrophobicContact CD2-CB 3.66Å; F72-F96 AromaticContact CD2-CD1 3.48Å; F72-F96 HydrophobicContact CD2-CD1 3.48Å; F72-F96 VanDerWaalsContact CD2-CD1 3.48Å; F72-F96 HydrophobicContact CD2-CD2 4.22Å; F72-F96 HydrophobicContact CD2-CE1 4.09Å; F72-F96 AromaticContact CD2-CG 3.53Å; F72-F96 HydrophobicContact CD2-CG 3.53Å; F72-F96 HydrophobicContact CE2-CB 3.81Å; F72-F96 HydrophobicContact CE2-CD1 4.42Å; F72-F96 HydrophobicContact CE2-CG 4.04Å; F72-F96 HydrophobicContact CG-CD1 4.2Å; V75-F96 HydrophobicContact CG2-CZ 4.44Å; S92-F96 VanDerWaalsContact O-CB 3.24Å; S92-F96 WeakPolarHBondContact O-CB 3.5Å; S92-F96 PolarHBondContact O-N 3.45Å; T94-F96 VanDerWaalsContact C-N 3.35Å; T94-F96 PolarHBondContact O-N 3Å; F96-V98 PolarHBondContact O-N 3.46Å; F96-T99 PolarHBondContact O-N 3.18Å; F96-K100 HydrophobicContact CE1-CD 4.41Å; F96-K100 VanDerWaalsContact O-CB 3.3Å; F96-K100 WeakPolarHBondContact O-CB 3.33Å; F96-K100 PolarHBondContact O-N 3.41Å |
| 97 | T | 70.9 | Confident | 73.1 | Confident | 59 Ų | 59 | 92.7 Ų | 92.7 | 36% | 0.362 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | -178.3 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | F93 T94 Y101 | F93-T97 WeakPolarHBondContact O-CB 3.4Å; F93-T97 PolarHBondContact O-N 2.94Å; F93-T97 VanDerWaalsContact O-N 3.08Å; F93-T97 PolarHBondContact O-OG1 3.24Å; T94-T97 PolarHBondContact O-N 2.86Å; T97-Y101 WeakPolarHBondContact O-CB 3.36Å; T97-Y101 PolarHBondContact O-N 3.37Å |
| 98 | V | 74.1 | Confident | 74.1 | Confident | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.436 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | T94 F96 K100 Y101 W102 | T94-V98 HydrophobicContact CG2-CG2 4.34Å; T94-V98 WeakPolarHBondContact O-CB 3.38Å; T94-V98 WeakPolarHBondContact O-CG2 3.41Å; T94-V98 PolarHBondContact O-N 3.43Å; F96-V98 PolarHBondContact O-N 3.46Å; V98-K100 PolarHBondContact O-N 2.83Å; V98-Y101 PolarHBondContact O-N 2.8Å; V98-W102 PolarHBondContact O-N 3.3Å |
| 99 | T | 75.6 | Confident | 74.6 | Confident | 86 Ų | 86 | 91.9 Ų | 91.9 | 53% | 0.528 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | -179.6 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | T95 F96 Y101 W102 C103 | T95-T99 WeakPolarHBondContact O-CB 3.19Å; T95-T99 PolarHBondContact O-N 2.91Å; T95-T99 PolarHBondContact O-OG1 2.84Å; F96-T99 PolarHBondContact O-N 3.18Å; T99-Y101 VanDerWaalsContact C-N 3.34Å; T99-Y101 PolarHBondContact O-N 3.16Å; T99-W102 PolarHBondContact O-N 3.43Å; T99-C103 WeakPolarHBondContact O-CB 3.3Å; T99-C103 PolarHBondContact O-N 2.8Å |
| 100 | K | 73.7 | Confident | 75.3 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 175.3 | -175.8 | 177.8 | 74.1 | 95.6 | 0 | 111.6 | F96 V98 Y104 | F96-K100 HydrophobicContact CE1-CD 4.41Å; F96-K100 VanDerWaalsContact O-CB 3.3Å; F96-K100 WeakPolarHBondContact O-CB 3.33Å; F96-K100 PolarHBondContact O-N 3.41Å; V98-K100 PolarHBondContact O-N 2.83Å; K100-Y104 VanDerWaalsContact O-CB 3.29Å; K100-Y104 WeakPolarHBondContact O-CB 3.27Å; K100-Y104 PolarHBondContact O-N 2.9Å |
| 101 | Y | 72.3 | Confident | 76.3 | Confident | 128 Ų | 128 | 91.3 Ų | 91.3 | 50% | 0.502 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.4 | -45.5 | -178.8 | -177.9 | -103.9 | 0 | 0 | 0 | 112.8 | T97 V98 T99 Y104 R105 | T97-Y101 WeakPolarHBondContact O-CB 3.36Å; T97-Y101 PolarHBondContact O-N 3.37Å; V98-Y101 PolarHBondContact O-N 2.8Å; T99-Y101 VanDerWaalsContact C-N 3.34Å; T99-Y101 PolarHBondContact O-N 3.16Å; Y101-Y104 PolarHBondContact O-N 2.91Å; Y101-R105 HydrophobicContact CE1-CG 4.39Å; Y101-R105 WeakPolarHBondContact O-CG 3.03Å; Y101-R105 PolarHBondContact O-N 2.96Å |
| 102 | W | 75.8 | Confident | 76.9 | Confident | 157 Ų | 157 | 90.2 Ų | 90.2 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.4 | -41.1 | 177.9 | -79.5 | 99.8 | 0 | 0 | 0 | 112.4 | V98 T99 R105 L106 | V98-W102 PolarHBondContact O-N 3.3Å; T99-W102 PolarHBondContact O-N 3.43Å; W102-R105 PolarHBondContact O-N 3.49Å; W102-L106 WeakPolarHBondContact O-CB 3.28Å; W102-L106 PolarHBondContact O-N 3Å |
| 103 | C | 79.4 | Confident | 77.5 | Confident | 65 Ų | 65 | 93.3 Ų | 93.3 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 174.8 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | T99 R105 L106 L107 | T99-C103 WeakPolarHBondContact O-CB 3.3Å; T99-C103 PolarHBondContact O-N 2.8Å; C103-R105 PolarHBondContact O-N 3.46Å; C103-L106 PolarHBondContact O-N 3.38Å; C103-L107 WeakPolarHBondContact O-CB 3.42Å; C103-L107 WeakPolarHBondContact O-CG 3.46Å; C103-L107 PolarHBondContact O-N 3.15Å |
| 104 | Y | 79.4 | Confident | 78.2 | Confident | 148 Ų | 148 | 92.2 Ų | 92.2 | 58% | 0.58 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.5 | -44.5 | 175.5 | 178.1 | -99.8 | 0 | 0 | 0 | 112.5 | K100 Y101 L106 T108 | K100-Y104 VanDerWaalsContact O-CB 3.29Å; K100-Y104 WeakPolarHBondContact O-CB 3.27Å; K100-Y104 PolarHBondContact O-N 2.9Å; Y101-Y104 PolarHBondContact O-N 2.91Å; Y104-L106 PolarHBondContact O-N 3.34Å; Y104-T108 VanDerWaalsContact O-CB 3.24Å; Y104-T108 WeakPolarHBondContact O-CB 3.3Å; Y104-T108 PolarHBondContact O-N 3.41Å; Y104-T108 PolarHBondContact O-OG1 2.89Å |
| 105 | R | 76.9 | Confident | 79 | Confident | 128 Ų | 128 | 92.5 Ų | 92.5 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.4 | -78 | -179.4 | 66.9 | 169.6 | -1.1 | 112.2 | Y101 W102 C103 A109 | Y101-R105 HydrophobicContact CE1-CG 4.39Å; Y101-R105 WeakPolarHBondContact O-CG 3.03Å; Y101-R105 PolarHBondContact O-N 2.96Å; W102-R105 PolarHBondContact O-N 3.49Å; C103-R105 PolarHBondContact O-N 3.46Å; R105-A109 VanDerWaalsContact O-CB 3.29Å; R105-A109 WeakPolarHBondContact O-CB 3.34Å; R105-A109 PolarHBondContact O-N 3.3Å |
| 106 | L | 79.3 | Confident | 79.6 | Confident | 128 Ų | 128 | 91.4 Ų | 91.4 | 67% | 0.67 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.8 | -45.8 | 179.4 | -172.9 | 65.8 | 0 | 0 | 0 | 111.5 | W102 C103 Y104 T108 A109 L110 | W102-L106 WeakPolarHBondContact O-CB 3.28Å; W102-L106 PolarHBondContact O-N 3Å; C103-L106 PolarHBondContact O-N 3.38Å; Y104-L106 PolarHBondContact O-N 3.34Å; L106-T108 PolarHBondContact O-N 3.35Å; L106-A109 PolarHBondContact O-N 2.86Å; L106-L110 WeakPolarHBondContact O-CB 3.45Å; L106-L110 PolarHBondContact O-N 2.94Å |
| 107 | L | 76.4 | Confident | 80.3 | Confident | 95 Ų | 95 | 93.7 Ų | 93.7 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176 | -79.7 | 164.5 | 0 | 0 | 0 | 111.7 | C103 L110 V111 | C103-L107 WeakPolarHBondContact O-CB 3.42Å; C103-L107 WeakPolarHBondContact O-CG 3.46Å; C103-L107 PolarHBondContact O-N 3.15Å; L107-L110 PolarHBondContact O-N 3.28Å; L107-V111 VanDerWaalsContact O-CB 3.32Å; L107-V111 WeakPolarHBondContact O-CB 3.33Å; L107-V111 WeakPolarHBondContact O-CG2 3.44Å; L107-V111 PolarHBondContact O-N 2.96Å |
| 108 | T | 83.1 | Confident | 81.4 | Confident | 56 Ų | 56 | 95.2 Ų | 95.2 | 34% | 0.344 | 51% | 0.506 | S | S | . | . | I | π-helix | trans | -67 | -38.2 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | Y104 L106 G112 | Y104-T108 VanDerWaalsContact O-CB 3.24Å; Y104-T108 WeakPolarHBondContact O-CB 3.3Å; Y104-T108 PolarHBondContact O-N 3.41Å; Y104-T108 PolarHBondContact O-OG1 2.89Å; L106-T108 PolarHBondContact O-N 3.35Å; T108-G112 WeakPolarHBondContact O-CA 3.08Å; T108-G112 PolarHBondContact O-N 3.38Å |
| 109 | A | 80.9 | Confident | 82.2 | Confident | 62 Ų | 62 | 98.3 Ų | 98.3 | 51% | 0.512 | 51% | 0.509 | S | S | . | . | I | π-helix | trans | -66.5 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R105 L106 | R105-A109 VanDerWaalsContact O-CB 3.29Å; R105-A109 WeakPolarHBondContact O-CB 3.34Å; R105-A109 PolarHBondContact O-N 3.3Å; L106-A109 PolarHBondContact O-N 2.86Å |
| 110 | L | 82.4 | Confident | 83.1 | Confident | 128 Ų | 128 | 96.2 Ų | 96.2 | 67% | 0.67 | 51% | 0.505 | S | S | * | . | I | π-helix | trans | -74.4 | -43.7 | -177.7 | -172.8 | 70.5 | 0 | 0 | 0 | 112.5 | L106 L107 P114 | L106-L110 WeakPolarHBondContact O-CB 3.45Å; L106-L110 PolarHBondContact O-N 2.94Å; L107-L110 PolarHBondContact O-N 3.28Å; L110-P114 VanDerWaalsContact O-CD 3.25Å; L110-P114 WeakPolarHBondContact O-CD 3.37Å; L110-P114 VanDerWaalsContact O-CG 3.28Å; L110-P114 WeakPolarHBondContact O-CG 3.39Å |
| 111 | V | 86.9 | Confident | 84 | Confident | 74 Ų | 74 | 96.2 Ų | 96.2 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | I | π-helix | trans | -105.4 | -27.4 | -170 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | L107 P114 L115 | L107-V111 VanDerWaalsContact O-CB 3.32Å; L107-V111 WeakPolarHBondContact O-CB 3.33Å; L107-V111 WeakPolarHBondContact O-CG2 3.44Å; L107-V111 PolarHBondContact O-N 2.96Å; V111-P114 WeakPolarHBondContact O-CD 3.28Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 PolarHBondContact O-N 3.29Å |
| 112 | G | 85.9 | Confident | 85 | Confident | 28 Ų | 28 | 95.7 Ų | 95.7 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -64.9 | -43.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T108 L115 A116 | T108-G112 WeakPolarHBondContact O-CA 3.08Å; T108-G112 PolarHBondContact O-N 3.38Å; G112-L115 PolarHBondContact O-N 3.5Å; G112-A116 WeakPolarHBondContact O-CB 3.2Å; G112-A116 PolarHBondContact O-N 3.29Å |
| 113 | I | 83.8 | Confident | 85.8 | Confident | 118 Ų | 118 | 93.7 Ų | 93.7 | 61% | 0.605 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -50.9 | 178.3 | -59 | 169.3 | 0 | 0 | 0 | 111 | L115 A116 L117 | I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.38Å; I113-A116 PolarHBondContact O-N 3.02Å; I113-L117 HydrophobicContact CG2-CD1 4.46Å; I113-L117 WeakPolarHBondContact O-CG 3.41Å; I113-L117 PolarHBondContact O-N 3.28Å; I113-L117 VanDerWaalsContact O-N 3.11Å |
| 114 | P | 87.4 | Confident | 86.5 | Confident | 66 Ų | 66 | 93.5 Ų | 93.5 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.8 | -42.6 | 174.1 | -26.9 | 34.6 | 0 | 0 | 0 | 113.6 | L110 V111 L117 V118 | L110-P114 VanDerWaalsContact O-CD 3.25Å; L110-P114 WeakPolarHBondContact O-CD 3.37Å; L110-P114 VanDerWaalsContact O-CG 3.28Å; L110-P114 WeakPolarHBondContact O-CG 3.39Å; V111-P114 WeakPolarHBondContact O-CD 3.28Å; P114-L117 WeakPolarHBondContact O-CB 3.23Å; P114-L117 PolarHBondContact O-N 3.13Å; P114-V118 WeakPolarHBondContact O-CG2 3.43Å; P114-V118 PolarHBondContact O-N 3.2Å |
| 115 | L | 85.8 | Confident | 87.3 | Confident | 86 Ų | 86 | 91 Ų | 91 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | -178.9 | -171.7 | 62.3 | 0 | 0 | 0 | 111.5 | V111 G112 I113 L117 V118 W119 | V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 PolarHBondContact O-N 3.29Å; G112-L115 PolarHBondContact O-N 3.5Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.38Å; L115-L117 VanDerWaalsContact C-N 3.31Å; L115-L117 PolarHBondContact O-N 2.95Å; L115-V118 PolarHBondContact O-N 2.99Å; L115-W119 PolarHBondContact O-N 2.92Å |
| 116 | A | 87.8 | Confident | 88 | Confident | 64 Ų | 64 | 89 Ų | 89 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G112 I113 W119 G120 | G112-A116 WeakPolarHBondContact O-CB 3.2Å; G112-A116 PolarHBondContact O-N 3.29Å; I113-A116 PolarHBondContact O-N 3.02Å; A116-W119 PolarHBondContact O-N 3.36Å; A116-G120 PolarHBondContact O-N 2.71Å |
| 117 | L | 88.9 | Confident | 88.7 | Confident | 112 Ų | 112 | 85.9 Ų | 85.9 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 175.3 | -70 | 173.1 | 0 | 0 | 0 | 111.9 | I113 P114 L115 W119 G120 I121 | I113-L117 HydrophobicContact CG2-CD1 4.46Å; I113-L117 WeakPolarHBondContact O-CG 3.41Å; I113-L117 PolarHBondContact O-N 3.28Å; I113-L117 VanDerWaalsContact O-N 3.11Å; P114-L117 WeakPolarHBondContact O-CB 3.23Å; P114-L117 PolarHBondContact O-N 3.13Å; L115-L117 VanDerWaalsContact C-N 3.31Å; L115-L117 PolarHBondContact O-N 2.95Å; L117-W119 PolarHBondContact O-N 3.27Å; L117-G120 PolarHBondContact O-N 2.91Å; L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 3.42Å |
| 118 | V | 92.6 | Very high | 89.6 | Confident | 92 Ų | 92 | 87.4 Ų | 87.4 | 56% | 0.558 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.9 | -46.9 | 177 | 172 | 0 | 0 | 0 | 0 | 110.9 | P114 L115 G120 I121 F122 | P114-V118 WeakPolarHBondContact O-CG2 3.43Å; P114-V118 PolarHBondContact O-N 3.2Å; L115-V118 PolarHBondContact O-N 2.99Å; V118-G120 PolarHBondContact O-N 3.47Å; V118-I121 PolarHBondContact O-N 2.96Å; V118-F122 WeakPolarHBondContact O-CB 3.43Å; V118-F122 PolarHBondContact O-N 3.45Å |
| 119 | W | 92.1 | Very high | 90.2 | Very high | 136 Ų | 136 | 88.5 Ų | 88.5 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.4 | -82.1 | 110.8 | 0 | 0 | 0 | 112.5 | L115 A116 L117 I121 F122 F123 | L115-W119 PolarHBondContact O-N 2.92Å; A116-W119 PolarHBondContact O-N 3.36Å; L117-W119 PolarHBondContact O-N 3.27Å; W119-I121 PolarHBondContact O-N 2.97Å; W119-F122 HydrophobicContact CE3-CD1 4.33Å; W119-F122 HydrophobicContact CZ3-CD1 4.26Å; W119-F122 PolarHBondContact O-N 2.97Å; W119-F123 HydrophobicContact CE3-CD2 4.33Å; W119-F123 AromaticContact CE3-CE2 3.71Å; W119-F123 HydrophobicContact CE3-CE2 3.71Å; W119-F123 HydrophobicContact CE3-CZ 4.3Å; W119-F123 HydrophobicContact CZ3-CE2 4.3Å; W119-F123 HydrophobicContact CZ3-CZ 4.45Å; W119-F123 WeakPolarHBondContact O-CD2 3.45Å; W119-F123 PolarHBondContact O-N 3.33Å |
| 120 | G | 93.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 90.5 Ų | 90.5 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A116 L117 V118 F123 A124 | A116-G120 PolarHBondContact O-N 2.71Å; L117-G120 PolarHBondContact O-N 2.91Å; V118-G120 PolarHBondContact O-N 3.47Å; G120-F123 PolarHBondContact O-N 2.93Å; G120-A124 WeakPolarHBondContact O-CB 3.39Å; G120-A124 PolarHBondContact O-N 3.37Å |
| 121 | I | 93.3 | Very high | 91.3 | Very high | 106 Ų | 106 | 89.1 Ų | 89.1 | 54% | 0.544 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.4 | -67 | 166.3 | 0 | 0 | 0 | 110.7 | L117 V118 W119 F123 A124 I125 | L117-I121 WeakPolarHBondContact O-CG1 3.48Å; L117-I121 PolarHBondContact O-N 3.42Å; V118-I121 PolarHBondContact O-N 2.96Å; W119-I121 PolarHBondContact O-N 2.97Å; I121-F123 PolarHBondContact O-N 3.47Å; I121-A124 WeakPolarHBondContact O-CB 3.36Å; I121-A124 PolarHBondContact O-N 3.27Å; I121-I125 HydrophobicContact CG2-CD1 3.83Å; I121-I125 HydrophobicContact CG2-CG1 4.43Å; I121-I125 WeakPolarHBondContact O-CG1 3.36Å; I121-I125 PolarHBondContact O-N 3.33Å |
| 122 | F | 93.6 | Very high | 91.6 | Very high | 117 Ų | 117 | 94.1 Ų | 94.1 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 178.3 | -175.8 | -98.1 | 0 | 0 | 0 | 111.7 | V118 W119 A124 I125 L126 | V118-F122 WeakPolarHBondContact O-CB 3.43Å; V118-F122 PolarHBondContact O-N 3.45Å; W119-F122 HydrophobicContact CE3-CD1 4.33Å; W119-F122 HydrophobicContact CZ3-CD1 4.26Å; W119-F122 PolarHBondContact O-N 2.97Å; F122-A124 VanDerWaalsContact C-N 3.31Å; F122-A124 PolarHBondContact O-N 2.9Å; F122-I125 PolarHBondContact O-N 3.36Å; F122-L126 WeakPolarHBondContact O-CB 3.36Å; F122-L126 PolarHBondContact O-N 2.93Å |
| 123 | F | 92.9 | Very high | 91.9 | Very high | 116 Ų | 116 | 94.8 Ų | 94.8 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 177 | -79.6 | -65.2 | 0 | 0 | 0 | 112.8 | W119 G120 I121 L126 S127 | W119-F123 HydrophobicContact CE3-CD2 4.33Å; W119-F123 AromaticContact CE3-CE2 3.71Å; W119-F123 HydrophobicContact CE3-CE2 3.71Å; W119-F123 HydrophobicContact CE3-CZ 4.3Å; W119-F123 HydrophobicContact CZ3-CE2 4.3Å; W119-F123 HydrophobicContact CZ3-CZ 4.45Å; W119-F123 WeakPolarHBondContact O-CD2 3.45Å; W119-F123 PolarHBondContact O-N 3.33Å; G120-F123 PolarHBondContact O-N 2.93Å; I121-F123 PolarHBondContact O-N 3.47Å; F123-L126 HydrophobicContact CD1-CD2 4.47Å; F123-S127 VanDerWaalsContact O-CB 3.3Å; F123-S127 WeakPolarHBondContact O-CB 3.11Å; F123-S127 PolarHBondContact O-N 3.48Å; F123-S127 PolarHBondContact O-OG 3.47Å |
| 124 | A | 94 | Very high | 92.4 | Very high | 60 Ų | 60 | 92.1 Ų | 92.1 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G120 I121 F122 S127 F128 | G120-A124 WeakPolarHBondContact O-CB 3.39Å; G120-A124 PolarHBondContact O-N 3.37Å; I121-A124 WeakPolarHBondContact O-CB 3.36Å; I121-A124 PolarHBondContact O-N 3.27Å; F122-A124 VanDerWaalsContact C-N 3.31Å; F122-A124 PolarHBondContact O-N 2.9Å; A124-S127 PolarHBondContact O-N 3.44Å; A124-F128 PolarHBondContact O-N 3.11Å |
| 125 | I | 95 | Very high | 92.7 | Very high | 95 Ų | 95 | 91.6 Ų | 91.6 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.4 | -65.6 | 168.5 | 0 | 0 | 0 | 110.5 | I121 F122 S127 F128 I129 | I121-I125 HydrophobicContact CG2-CD1 3.83Å; I121-I125 HydrophobicContact CG2-CG1 4.43Å; I121-I125 WeakPolarHBondContact O-CG1 3.36Å; I121-I125 PolarHBondContact O-N 3.33Å; F122-I125 PolarHBondContact O-N 3.36Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 PolarHBondContact O-N 3.27Å; I125-F128 WeakPolarHBondContact O-CB 3.44Å; I125-F128 PolarHBondContact O-N 3.48Å; I125-F128 VanDerWaalsContact O-N 3.15Å; I125-I129 HydrophobicContact CG2-CD1 3.85Å; I125-I129 HydrophobicContact CG2-CG1 4.41Å; I125-I129 WeakPolarHBondContact O-CG1 3.27Å; I125-I129 PolarHBondContact O-N 2.98Å |
| 126 | L | 92.5 | Very high | 93.1 | Very high | 87 Ų | 87 | 90.6 Ų | 90.6 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 178 | -174 | 66.2 | 0 | 0 | 0 | 111.3 | F122 F123 F128 I129 H130 | F122-L126 WeakPolarHBondContact O-CB 3.36Å; F122-L126 PolarHBondContact O-N 2.93Å; F123-L126 HydrophobicContact CD1-CD2 4.47Å; L126-F128 VanDerWaalsContact C-N 3.35Å; L126-I129 PolarHBondContact O-N 3Å; L126-H130 VanDerWaalsContact O-CB 3.31Å; L126-H130 WeakPolarHBondContact O-CB 3.24Å; L126-H130 PolarHBondContact O-N 2.98Å |
| 127 | S | 94.9 | Very high | 93.3 | Very high | 63 Ų | 63 | 91.5 Ų | 91.5 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | F123 A124 I125 H130 I131 | F123-S127 VanDerWaalsContact O-CB 3.3Å; F123-S127 WeakPolarHBondContact O-CB 3.11Å; F123-S127 PolarHBondContact O-N 3.48Å; F123-S127 PolarHBondContact O-OG 3.47Å; A124-S127 PolarHBondContact O-N 3.44Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 PolarHBondContact O-N 3.27Å; S127-H130 PolarHBondContact O-N 3.39Å; S127-I131 VanDerWaalsContact O-CD1 3.27Å; S127-I131 WeakPolarHBondContact O-CD1 3.3Å; S127-I131 VanDerWaalsContact O-CG1 3.24Å; S127-I131 WeakPolarHBondContact O-CG1 3.49Å; S127-I131 PolarHBondContact O-N 3.49Å |
| 128 | F | 94.8 | Very high | 93.5 | Very high | 126 Ų | 126 | 89.7 Ų | 89.7 | 55% | 0.553 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.5 | -51.5 | 175.6 | -179.1 | -95.4 | 0 | 0 | 0 | 111.4 | A124 I125 L126 H130 I131 W132 | A124-F128 PolarHBondContact O-N 3.11Å; I125-F128 WeakPolarHBondContact O-CB 3.44Å; I125-F128 PolarHBondContact O-N 3.48Å; I125-F128 VanDerWaalsContact O-N 3.15Å; L126-F128 VanDerWaalsContact C-N 3.35Å; F128-H130 VanDerWaalsContact C-N 3.28Å; F128-H130 PolarHBondContact O-N 3.29Å; F128-I131 PolarHBondContact O-N 2.9Å; F128-W132 AromaticContact CD2-CD1 3.22Å; F128-W132 HydrophobicContact CD2-CG 4.15Å; F128-W132 AromaticContact CD2-NE1 3.49Å; F128-W132 HydrophobicContact CE1-CB 4.5Å; F128-W132 AromaticContact CE2-CD1 3.28Å; F128-W132 HydrophobicContact CE2-CD2 4.31Å; F128-W132 AromaticContact CE2-CG 3.84Å; F128-W132 HydrophobicContact CE2-CG 3.84Å; F128-W132 AromaticContact CE2-NE1 3.44Å; F128-W132 AromaticContact CG-CD1 3.8Å; F128-W132 HydrophobicContact CZ-CB 4.38Å; F128-W132 AromaticContact CZ-CD1 3.91Å; F128-W132 HydrophobicContact CZ-CG 4.07Å; F128-W132 WeakPolarHBondContact O-CB 3.31Å; F128-W132 PolarHBondContact O-N 2.81Å |
| 129 | I | 94.4 | Very high | 93.5 | Very high | 80 Ų | 80 | 91.5 Ų | 91.5 | 41% | 0.41 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 177.7 | -66.5 | 170.7 | 0 | 0 | 0 | 110.6 | I125 L126 I131 A133 V134 | I125-I129 HydrophobicContact CG2-CD1 3.85Å; I125-I129 HydrophobicContact CG2-CG1 4.41Å; I125-I129 WeakPolarHBondContact O-CG1 3.27Å; I125-I129 PolarHBondContact O-N 2.98Å; L126-I129 PolarHBondContact O-N 3Å; I129-I131 PolarHBondContact O-N 2.8Å; I129-A133 HydrophobicContact CG2-CB 4.23Å; I129-A133 CarbonylContact O-C 3.59Å; I129-A133 WeakPolarHBondContact O-CA 3.34Å; I129-A133 VanDerWaalsContact O-CB 3.27Å; I129-A133 WeakPolarHBondContact O-CB 3.44Å; I129-A133 PolarHBondContact O-N 3.37Å; I129-V134 HydrophobicContact CG2-CG2 4.32Å; I129-V134 PolarHBondContact O-N 3Å |
| 130 | H | 93.4 | Very high | 93.5 | Very high | 104 Ų | 104 | 88 Ų | 88 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -59.6 | -50.2 | 179.1 | 179.8 | -94.5 | 0 | 0 | 0 | 111.7 | L126 S127 F128 V134 V135 | L126-H130 VanDerWaalsContact O-CB 3.31Å; L126-H130 WeakPolarHBondContact O-CB 3.24Å; L126-H130 PolarHBondContact O-N 2.98Å; S127-H130 PolarHBondContact O-N 3.39Å; F128-H130 VanDerWaalsContact C-N 3.28Å; F128-H130 PolarHBondContact O-N 3.29Å; H130-V134 WeakPolarHBondContact O-CB 3.41Å; H130-V134 PolarHBondContact O-N 3.17Å; H130-V135 WeakPolarHBondContact O-CG2 3.5Å; H130-V135 PolarHBondContact O-N 3.46Å |
| 131 | I | 94.2 | Very high | 93.5 | Very high | 99 Ų | 99 | 92.7 Ų | 92.7 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | I | π-helix | trans | -70.9 | -43.9 | -175.9 | -63.6 | 157.1 | 0 | 0 | 0 | 111.4 | S127 F128 I129 P136 | S127-I131 VanDerWaalsContact O-CD1 3.27Å; S127-I131 WeakPolarHBondContact O-CD1 3.3Å; S127-I131 VanDerWaalsContact O-CG1 3.24Å; S127-I131 WeakPolarHBondContact O-CG1 3.49Å; S127-I131 PolarHBondContact O-N 3.49Å; F128-I131 PolarHBondContact O-N 2.9Å; I129-I131 PolarHBondContact O-N 2.8Å; I131-P136 WeakPolarHBondContact O-CD 3.45Å |
| 132 | W | 93.8 | Very high | 93.4 | Very high | 178 Ų | 178 | 92.4 Ų | 92.4 | 67% | 0.674 | 48% | 0.481 | S | S | * | . | I | π-helix | trans | -94.8 | -23.7 | -169.1 | -66.4 | 96.6 | 0 | 0 | 0 | 114.4 | F128 P136 | F128-W132 AromaticContact CD2-CD1 3.22Å; F128-W132 HydrophobicContact CD2-CG 4.15Å; F128-W132 AromaticContact CD2-NE1 3.49Å; F128-W132 HydrophobicContact CE1-CB 4.5Å; F128-W132 AromaticContact CE2-CD1 3.28Å; F128-W132 HydrophobicContact CE2-CD2 4.31Å; F128-W132 AromaticContact CE2-CG 3.84Å; F128-W132 HydrophobicContact CE2-CG 3.84Å; F128-W132 AromaticContact CE2-NE1 3.44Å; F128-W132 AromaticContact CG-CD1 3.8Å; F128-W132 HydrophobicContact CZ-CB 4.38Å; F128-W132 AromaticContact CZ-CD1 3.91Å; F128-W132 HydrophobicContact CZ-CG 4.07Å; F128-W132 WeakPolarHBondContact O-CB 3.31Å; F128-W132 PolarHBondContact O-N 2.81Å; W132-P136 WeakPolarHBondContact O-CG 3.19Å |
| 133 | A | 91.9 | Very high | 93.4 | Very high | 43 Ų | 43 | 92.7 Ų | 92.7 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -114.1 | -53.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | I129 P136 C137 | I129-A133 HydrophobicContact CG2-CB 4.23Å; I129-A133 CarbonylContact O-C 3.59Å; I129-A133 WeakPolarHBondContact O-CA 3.34Å; I129-A133 VanDerWaalsContact O-CB 3.27Å; I129-A133 WeakPolarHBondContact O-CB 3.44Å; I129-A133 PolarHBondContact O-N 3.37Å; A133-P136 VanDerWaalsContact O-CD 3.3Å; A133-P136 WeakPolarHBondContact O-CD 3.25Å; A133-P136 WeakPolarHBondContact O-CG 3.44Å; A133-C137 WeakPolarHBondContact O-CB 3.36Å; A133-C137 PolarHBondContact O-N 3.49Å; A133-C137 PolarHBondContact O-SG 3.27Å |
| 134 | V | 94.5 | Very high | 93.4 | Very high | 61 Ų | 61 | 92.6 Ų | 92.6 | 37% | 0.37 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -66.6 | -49 | -173.2 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | I129 H130 C137 V138 | I129-V134 HydrophobicContact CG2-CG2 4.32Å; I129-V134 PolarHBondContact O-N 3Å; H130-V134 WeakPolarHBondContact O-CB 3.41Å; H130-V134 PolarHBondContact O-N 3.17Å; V134-C137 PolarHBondContact O-N 2.95Å; V134-V138 HydrophobicContact CG1-CG2 3.96Å; V134-V138 WeakPolarHBondContact O-CB 3.28Å; V134-V138 VanDerWaalsContact O-CG2 3.23Å; V134-V138 WeakPolarHBondContact O-CG2 3.12Å; V134-V138 PolarHBondContact O-N 3.47Å |
| 135 | V | 94 | Very high | 93.3 | Very high | 55 Ų | 55 | 93.3 Ų | 93.3 | 33% | 0.333 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.5 | -50.4 | 179.4 | 172.8 | 0 | 0 | 0 | 0 | 112.4 | H130 V138 K139 | H130-V135 WeakPolarHBondContact O-CG2 3.5Å; H130-V135 PolarHBondContact O-N 3.46Å; V135-V138 PolarHBondContact O-N 3.43Å; V135-K139 HydrophobicContact CG1-CG 4.43Å; V135-K139 WeakPolarHBondContact O-CB 3.34Å; V135-K139 WeakPolarHBondContact O-CG 3.33Å; V135-K139 PolarHBondContact O-N 2.95Å |
| 136 | P | 93.3 | Very high | 93.2 | Very high | 65 Ų | 65 | 94.4 Ų | 94.4 | 42% | 0.422 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -36.8 | 176.2 | 20.4 | -28.1 | 0 | 0 | 0 | 113.1 | I131 W132 A133 K139 S140 | I131-P136 WeakPolarHBondContact O-CD 3.45Å; W132-P136 WeakPolarHBondContact O-CG 3.19Å; A133-P136 VanDerWaalsContact O-CD 3.3Å; A133-P136 WeakPolarHBondContact O-CD 3.25Å; A133-P136 WeakPolarHBondContact O-CG 3.44Å; P136-K139 PolarHBondContact O-N 3.49Å; P136-S140 WeakPolarHBondContact O-CB 3.14Å; P136-S140 PolarHBondContact O-N 2.94Å |
| 137 | C | 91.3 | Very high | 93 | Very high | 83 Ų | 83 | 93.3 Ų | 93.3 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 174.6 | -73.9 | 0 | 0 | 0 | 0 | 111.8 | A133 V134 K139 S140 Y141 | A133-C137 WeakPolarHBondContact O-CB 3.36Å; A133-C137 PolarHBondContact O-N 3.49Å; A133-C137 PolarHBondContact O-SG 3.27Å; V134-C137 PolarHBondContact O-N 2.95Å; C137-K139 PolarHBondContact O-N 2.87Å; C137-S140 WeakPolarHBondContact O-CB 3.46Å; C137-S140 PolarHBondContact O-N 3.3Å; C137-Y141 WeakPolarHBondContact O-CB 3.29Å; C137-Y141 PolarHBondContact O-N 2.86Å |
| 138 | V | 93.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 95 Ų | 95 | 45% | 0.448 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | V134 V135 S140 Y141 L142 | V134-V138 HydrophobicContact CG1-CG2 3.96Å; V134-V138 WeakPolarHBondContact O-CB 3.28Å; V134-V138 VanDerWaalsContact O-CG2 3.23Å; V134-V138 WeakPolarHBondContact O-CG2 3.12Å; V134-V138 PolarHBondContact O-N 3.47Å; V135-V138 PolarHBondContact O-N 3.43Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 2.75Å; V138-Y141 PolarHBondContact O-N 2.81Å; V138-L142 HydrophobicContact CG1-CD1 4.15Å; V138-L142 HydrophobicContact CG1-CG 4.44Å; V138-L142 WeakPolarHBondContact O-CB 3.49Å; V138-L142 VanDerWaalsContact O-CG 3.28Å; V138-L142 WeakPolarHBondContact O-CG 3.32Å; V138-L142 PolarHBondContact O-N 3.35Å |
| 139 | K | 92 | Very high | 92.7 | Very high | 131 Ų | 131 | 92 Ų | 92 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59 | -43.7 | 175.7 | -68.8 | -89.9 | -178.3 | 68.3 | 0 | 111.5 | V135 P136 C137 L142 I143 | V135-K139 HydrophobicContact CG1-CG 4.43Å; V135-K139 WeakPolarHBondContact O-CB 3.34Å; V135-K139 WeakPolarHBondContact O-CG 3.33Å; V135-K139 PolarHBondContact O-N 2.95Å; P136-K139 PolarHBondContact O-N 3.49Å; C137-K139 PolarHBondContact O-N 2.87Å; K139-L142 PolarHBondContact O-N 2.84Å; K139-I143 WeakPolarHBondContact O-CD1 3.1Å; K139-I143 WeakPolarHBondContact O-CG1 3.3Å; K139-I143 PolarHBondContact O-N 2.89Å |
| 140 | S | 92.1 | Very high | 92.5 | Very high | 61 Ų | 61 | 95.4 Ų | 95.4 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 176.8 | -167.9 | 0 | 0 | 0 | 0 | 111.7 | P136 C137 V138 L142 I143 E144 | P136-S140 WeakPolarHBondContact O-CB 3.14Å; P136-S140 PolarHBondContact O-N 2.94Å; C137-S140 WeakPolarHBondContact O-CB 3.46Å; C137-S140 PolarHBondContact O-N 3.3Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 2.75Å; S140-L142 VanDerWaalsContact C-N 3.3Å; S140-L142 PolarHBondContact O-N 3.41Å; S140-I143 WeakPolarHBondContact O-CB 3.24Å; S140-I143 PolarHBondContact O-N 3.45Å; S140-E144 PolarHBondContact O-N 3.43Å |
| 141 | Y | 93.6 | Very high | 92.4 | Very high | 143 Ų | 143 | 94.3 Ų | 94.3 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -36.3 | 179.4 | -172.4 | -114.5 | 0 | 0 | 0 | 112.3 | C137 V138 I143 E144 I145 | C137-Y141 WeakPolarHBondContact O-CB 3.29Å; C137-Y141 PolarHBondContact O-N 2.86Å; V138-Y141 PolarHBondContact O-N 2.81Å; Y141-I143 VanDerWaalsContact C-N 3.31Å; Y141-I143 PolarHBondContact O-N 3.37Å; Y141-E144 PolarHBondContact O-N 2.95Å; Y141-I145 HydrophobicContact CD1-CD1 3.53Å; Y141-I145 HydrophobicContact CD1-CG1 4.3Å; Y141-I145 HydrophobicContact CE1-CD1 3.11Å; Y141-I145 HydrophobicContact CE1-CG1 3.99Å; Y141-I145 HydrophobicContact CE2-CD1 4.35Å; Y141-I145 HydrophobicContact CE2-CG1 4.38Å; Y141-I145 HydrophobicContact CG-CD1 4.32Å; Y141-I145 WeakPolarHBondContact O-CB 3.46Å; Y141-I145 WeakPolarHBondContact O-CG1 3.44Å; Y141-I145 PolarHBondContact O-N 3.02Å |
| 142 | L | 92.3 | Very high | 92.3 | Very high | 100 Ų | 100 | 97.1 Ų | 97.1 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 173 | -74 | 173.3 | 0 | 0 | 0 | 112.2 | V138 K139 S140 H146 | V138-L142 HydrophobicContact CG1-CD1 4.15Å; V138-L142 HydrophobicContact CG1-CG 4.44Å; V138-L142 WeakPolarHBondContact O-CB 3.49Å; V138-L142 VanDerWaalsContact O-CG 3.28Å; V138-L142 WeakPolarHBondContact O-CG 3.32Å; V138-L142 PolarHBondContact O-N 3.35Å; K139-L142 PolarHBondContact O-N 2.84Å; S140-L142 VanDerWaalsContact C-N 3.3Å; S140-L142 PolarHBondContact O-N 3.41Å; L142-H146 VanDerWaalsContact O-CB 3.26Å; L142-H146 WeakPolarHBondContact O-CB 3.29Å; L142-H146 PolarHBondContact O-N 3.05Å |
| 143 | I | 93.1 | Very high | 92.1 | Very high | 123 Ų | 123 | 91.3 Ų | 91.3 | 63% | 0.631 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.9 | -42.1 | 176.3 | -67.4 | 154.7 | 0 | 0 | 0 | 110.5 | K139 S140 Y141 H146 C147 | K139-I143 WeakPolarHBondContact O-CD1 3.1Å; K139-I143 WeakPolarHBondContact O-CG1 3.3Å; K139-I143 PolarHBondContact O-N 2.89Å; S140-I143 WeakPolarHBondContact O-CB 3.24Å; S140-I143 PolarHBondContact O-N 3.45Å; Y141-I143 VanDerWaalsContact C-N 3.31Å; Y141-I143 PolarHBondContact O-N 3.37Å; I143-H146 PolarHBondContact O-N 3.21Å; I143-C147 PolarHBondContact O-N 2.93Å |
| 144 | E | 92.6 | Very high | 92.1 | Very high | 114 Ų | 114 | 94.3 Ų | 94.3 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -49.8 | 174.8 | -71.8 | -173.8 | -178.3 | 0 | 0 | 111.8 | S140 Y141 H146 C147 V148 | S140-E144 PolarHBondContact O-N 3.43Å; Y141-E144 PolarHBondContact O-N 2.95Å; E144-H146 VanDerWaalsContact C-N 3.27Å; E144-H146 PolarHBondContact O-N 3.44Å; E144-C147 WeakPolarHBondContact O-CA 3.39Å; E144-C147 VanDerWaalsContact O-CB 3.32Å; E144-C147 WeakPolarHBondContact O-CB 3.2Å; E144-C147 PolarHBondContact O-N 2.98Å; E144-C147 VanDerWaalsContact O-N 3.08Å; E144-V148 WeakPolarHBondContact O-CG2 3.44Å; E144-V148 PolarHBondContact O-N 2.94Å |
| 145 | I | 92.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 94.1 Ų | 94.1 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 175 | -73.7 | 172.2 | 0 | 0 | 0 | 110.6 | Y141 C147 V148 S149 | Y141-I145 HydrophobicContact CD1-CD1 3.53Å; Y141-I145 HydrophobicContact CD1-CG1 4.3Å; Y141-I145 HydrophobicContact CE1-CD1 3.11Å; Y141-I145 HydrophobicContact CE1-CG1 3.99Å; Y141-I145 HydrophobicContact CE2-CD1 4.35Å; Y141-I145 HydrophobicContact CE2-CG1 4.38Å; Y141-I145 HydrophobicContact CG-CD1 4.32Å; Y141-I145 WeakPolarHBondContact O-CB 3.46Å; Y141-I145 WeakPolarHBondContact O-CG1 3.44Å; Y141-I145 PolarHBondContact O-N 3.02Å; I145-C147 PolarHBondContact O-N 3.18Å; I145-V148 PolarHBondContact O-N 3.09Å; I145-S149 WeakPolarHBondContact O-CB 3.29Å; I145-S149 PolarHBondContact O-N 3.38Å |
| 146 | H | 92.6 | Very high | 91.7 | Very high | 118 Ų | 118 | 93.7 Ų | 93.7 | 55% | 0.546 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -31.8 | -179.9 | -167.1 | -116.4 | 0 | 0 | 0 | 112.1 | L142 I143 E144 R150 | L142-H146 VanDerWaalsContact O-CB 3.26Å; L142-H146 WeakPolarHBondContact O-CB 3.29Å; L142-H146 PolarHBondContact O-N 3.05Å; I143-H146 PolarHBondContact O-N 3.21Å; E144-H146 VanDerWaalsContact C-N 3.27Å; E144-H146 PolarHBondContact O-N 3.44Å; H146-R150 PolarHBondContact O-N 3.05Å |
| 147 | C | 87.5 | Confident | 91.5 | Very high | 63 Ų | 63 | 95.9 Ų | 95.9 | 43% | 0.426 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -51.4 | 170.4 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | I143 E144 I145 S149 R150 V151 | I143-C147 PolarHBondContact O-N 2.93Å; E144-C147 WeakPolarHBondContact O-CA 3.39Å; E144-C147 VanDerWaalsContact O-CB 3.32Å; E144-C147 WeakPolarHBondContact O-CB 3.2Å; E144-C147 PolarHBondContact O-N 2.98Å; E144-C147 VanDerWaalsContact O-N 3.08Å; I145-C147 PolarHBondContact O-N 3.18Å; C147-S149 VanDerWaalsContact C-N 3.29Å; C147-S149 PolarHBondContact O-N 3.28Å; C147-R150 PolarHBondContact O-N 3.19Å; C147-R150 VanDerWaalsContact O-N 3.12Å; C147-V151 PolarHBondContact O-N 3.26Å; C147-V151 VanDerWaalsContact O-N 3.11Å |
| 148 | V | 92.5 | Very high | 91.3 | Very high | 99 Ų | 99 | 95.9 Ų | 95.9 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.5 | -41.2 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E144 I145 R150 V151 Y152 | E144-V148 WeakPolarHBondContact O-CG2 3.44Å; E144-V148 PolarHBondContact O-N 2.94Å; I145-V148 PolarHBondContact O-N 3.09Å; V148-R150 VanDerWaalsContact C-N 3.33Å; V148-R150 PolarHBondContact O-N 3.05Å; V148-V151 PolarHBondContact O-N 3.17Å; V148-Y152 WeakPolarHBondContact O-CB 3.47Å; V148-Y152 PolarHBondContact O-N 2.98Å |
| 149 | S | 91.1 | Very high | 90.9 | Very high | 63 Ų | 63 | 98.8 Ų | 98.8 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 177.4 | 179 | 0 | 0 | 0 | 0 | 112.1 | I145 C147 Y152 S153 | I145-S149 WeakPolarHBondContact O-CB 3.29Å; I145-S149 PolarHBondContact O-N 3.38Å; C147-S149 VanDerWaalsContact C-N 3.29Å; C147-S149 PolarHBondContact O-N 3.28Å; S149-Y152 PolarHBondContact O-N 3.46Å; S149-S153 WeakPolarHBondContact O-CB 3.24Å; S149-S153 PolarHBondContact O-N 2.77Å |
| 150 | R | 91 | Very high | 90.5 | Very high | 151 Ų | 151 | 94.5 Ų | 94.5 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 174.8 | -77.1 | -170 | -79.6 | 140.9 | -7.5 | 112.1 | H146 C147 V148 Y152 S153 I154 | H146-R150 PolarHBondContact O-N 3.05Å; C147-R150 PolarHBondContact O-N 3.19Å; C147-R150 VanDerWaalsContact O-N 3.12Å; V148-R150 VanDerWaalsContact C-N 3.33Å; V148-R150 PolarHBondContact O-N 3.05Å; R150-Y152 VanDerWaalsContact C-N 3.33Å; R150-S153 PolarHBondContact O-N 3.08Å; R150-I154 VanDerWaalsContact O-CG1 3.32Å; R150-I154 WeakPolarHBondContact O-CG1 3.19Å; R150-I154 PolarHBondContact O-N 3Å |
| 151 | V | 91.4 | Very high | 90.1 | Very high | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 176 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | C147 V148 S153 I154 C155 | C147-V151 PolarHBondContact O-N 3.26Å; C147-V151 VanDerWaalsContact O-N 3.11Å; V148-V151 PolarHBondContact O-N 3.17Å; V151-S153 PolarHBondContact O-N 3.48Å; V151-I154 PolarHBondContact O-N 3.04Å; V151-C155 PolarHBondContact O-N 2.9Å; V151-C155 PolarHBondContact O-SG 3.36Å |
| 152 | Y | 91.5 | Very high | 89.8 | Confident | 157 Ų | 157 | 91.4 Ų | 91.4 | 62% | 0.616 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.7 | -46.6 | 176.6 | 176.8 | -100.7 | 0 | 0 | 0 | 111.8 | V148 S149 R150 I154 C155 V156 | V148-Y152 WeakPolarHBondContact O-CB 3.47Å; V148-Y152 PolarHBondContact O-N 2.98Å; S149-Y152 PolarHBondContact O-N 3.46Å; R150-Y152 VanDerWaalsContact C-N 3.33Å; Y152-I154 VanDerWaalsContact C-N 3.35Å; Y152-I154 PolarHBondContact O-N 3.21Å; Y152-C155 WeakPolarHBondContact O-CB 3.43Å; Y152-C155 PolarHBondContact O-N 3.45Å; Y152-V156 HydrophobicContact CD1-CG2 4.29Å; Y152-V156 HydrophobicContact CD2-CG2 4.48Å; Y152-V156 HydrophobicContact CE1-CG2 3.86Å; Y152-V156 HydrophobicContact CE2-CG2 4.07Å; Y152-V156 WeakPolarHBondContact O-CG2 3.32Å; Y152-V156 PolarHBondContact O-N 3.15Å |
| 153 | S | 89.9 | Confident | 89.4 | Confident | 57 Ų | 57 | 91.7 Ų | 91.7 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | S149 R150 V151 C155 V156 H157 | S149-S153 WeakPolarHBondContact O-CB 3.24Å; S149-S153 PolarHBondContact O-N 2.77Å; R150-S153 PolarHBondContact O-N 3.08Å; V151-S153 PolarHBondContact O-N 3.48Å; S153-C155 PolarHBondContact O-N 2.91Å; S153-V156 PolarHBondContact O-N 3.39Å; S153-H157 PolarHBondContact O-CD2 3.35Å; S153-H157 PolarHBondContact O-N 2.76Å |
| 154 | I | 91.3 | Very high | 89 | Confident | 106 Ų | 106 | 92.2 Ų | 92.2 | 54% | 0.544 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.8 | -65 | 163 | 0 | 0 | 0 | 110.9 | R150 V151 Y152 V156 H157 T158 | R150-I154 VanDerWaalsContact O-CG1 3.32Å; R150-I154 WeakPolarHBondContact O-CG1 3.19Å; R150-I154 PolarHBondContact O-N 3Å; V151-I154 PolarHBondContact O-N 3.04Å; Y152-I154 VanDerWaalsContact C-N 3.35Å; Y152-I154 PolarHBondContact O-N 3.21Å; I154-V156 PolarHBondContact O-N 3.39Å; I154-H157 PolarHBondContact O-N 3.47Å; I154-T158 WeakPolarHBondContact O-CB 3.42Å; I154-T158 PolarHBondContact O-N 2.9Å; I154-T158 PolarHBondContact O-OG1 2.98Å |
| 155 | C | 89.1 | Confident | 88.7 | Confident | 56 Ų | 56 | 92.1 Ų | 92.1 | 38% | 0.378 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 176.3 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | V151 Y152 S153 T158 F159 | V151-C155 PolarHBondContact O-N 2.9Å; V151-C155 PolarHBondContact O-SG 3.36Å; Y152-C155 WeakPolarHBondContact O-CB 3.43Å; Y152-C155 PolarHBondContact O-N 3.45Å; S153-C155 PolarHBondContact O-N 2.91Å; C155-T158 PolarHBondContact O-N 2.7Å; C155-F159 HydrophobicContact CB-CD2 4.45Å; C155-F159 WeakPolarHBondContact O-CB 3.4Å; C155-F159 VanDerWaalsContact O-CD2 3.25Å; C155-F159 WeakPolarHBondContact O-CD2 3.21Å; C155-F159 PolarHBondContact O-N 3.28Å |
| 156 | V | 90.5 | Very high | 88.3 | Confident | 46 Ų | 46 | 91 Ų | 91 | 28% | 0.279 | 48% | 0.48 | S | S | . | . | I | π-helix | trans | -60.7 | -48.6 | 177 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Y152 S153 I154 T158 F159 C160 D161 | Y152-V156 HydrophobicContact CD1-CG2 4.29Å; Y152-V156 HydrophobicContact CD2-CG2 4.48Å; Y152-V156 HydrophobicContact CE1-CG2 3.86Å; Y152-V156 HydrophobicContact CE2-CG2 4.07Å; Y152-V156 WeakPolarHBondContact O-CG2 3.32Å; Y152-V156 PolarHBondContact O-N 3.15Å; S153-V156 PolarHBondContact O-N 3.39Å; I154-V156 PolarHBondContact O-N 3.39Å; V156-T158 VanDerWaalsContact C-N 3.28Å; V156-T158 PolarHBondContact O-N 2.82Å; V156-F159 PolarHBondContact O-N 2.98Å; V156-C160 HydrophobicContact CG1-CB 3.87Å; V156-C160 VanDerWaalsContact O-CA 3.29Å; V156-C160 WeakPolarHBondContact O-CA 3.29Å; V156-C160 WeakPolarHBondContact O-CB 3.37Å; V156-C160 PolarHBondContact O-N 3.42Å; V156-D161 PolarHBondContact O-N 2.83Å |
| 157 | H | 88.9 | Confident | 88 | Confident | 111 Ų | 111 | 89.4 Ų | 89.4 | 51% | 0.514 | 47% | 0.474 | S | S | . | . | I | π-helix | trans | -61.2 | -35.4 | 176.6 | -90.4 | -68.5 | 0 | 0 | 0 | 113.3 | S153 I154 D161 | S153-H157 PolarHBondContact O-CD2 3.35Å; S153-H157 PolarHBondContact O-N 2.76Å; I154-H157 PolarHBondContact O-N 3.47Å; H157-D161 IonicContact CE1-OD2 3.94Å; H157-D161 PolarHBondContact CE1-OD2 3.33Å; H157-D161 IonicContact CG-OD2 3.47Å; H157-D161 IonicContact ND1-OD1 2.65Å; H157-D161 IonicContact ND1-OD2 3.61Å; H157-D161 PolarHBondContact ND1-OD2 3.15Å; H157-D161 WeakPolarHBondContact O-CB 3.34Å |
| 158 | T | 87.8 | Confident | 87.9 | Confident | 84 Ų | 84 | 88.2 Ų | 88.2 | 52% | 0.515 | 47% | 0.473 | S | S | . | . | I | π-helix | trans | -80.6 | -32.9 | -176 | -49.4 | 0 | 0 | 0 | 0 | 112.5 | I154 C155 V156 P162 | I154-T158 WeakPolarHBondContact O-CB 3.42Å; I154-T158 PolarHBondContact O-N 2.9Å; I154-T158 PolarHBondContact O-OG1 2.98Å; C155-T158 PolarHBondContact O-N 2.7Å; V156-T158 VanDerWaalsContact C-N 3.28Å; V156-T158 PolarHBondContact O-N 2.82Å; T158-P162 WeakPolarHBondContact O-CD 3.21Å; T158-P162 WeakPolarHBondContact O-CG 3.49Å |
| 159 | F | 85.6 | Confident | 87.4 | Confident | 135 Ų | 135 | 89.3 Ų | 89.3 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | I | π-helix | trans | -106.5 | -49.5 | -175.6 | -68.6 | -72.3 | 0 | 0 | 0 | 112.4 | C155 V156 P162 L163 | C155-F159 HydrophobicContact CB-CD2 4.45Å; C155-F159 WeakPolarHBondContact O-CB 3.4Å; C155-F159 VanDerWaalsContact O-CD2 3.25Å; C155-F159 WeakPolarHBondContact O-CD2 3.21Å; C155-F159 PolarHBondContact O-N 3.28Å; V156-F159 PolarHBondContact O-N 2.98Å; F159-P162 WeakPolarHBondContact O-CD 3.38Å; F159-P162 WeakPolarHBondContact O-CG 3.26Å; F159-L163 VanDerWaalsContact O-CB 3.29Å; F159-L163 WeakPolarHBondContact O-CB 3.5Å; F159-L163 VanDerWaalsContact O-CD1 3.28Å; F159-L163 WeakPolarHBondContact O-CD1 3.23Å; F159-L163 WeakPolarHBondContact O-CG 3.48Å; F159-L163 PolarHBondContact O-N 3.11Å |
| 160 | C | 82.6 | Confident | 87 | Confident | 40 Ų | 40 | 90.7 Ų | 90.7 | 27% | 0.27 | 48% | 0.478 | S | S | . | . | I | π-helix | trans | -73.8 | -42.3 | -174.2 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | V156 L163 F164 | V156-C160 HydrophobicContact CG1-CB 3.87Å; V156-C160 VanDerWaalsContact O-CA 3.29Å; V156-C160 WeakPolarHBondContact O-CA 3.29Å; V156-C160 WeakPolarHBondContact O-CB 3.37Å; V156-C160 PolarHBondContact O-N 3.42Å; C160-L163 PolarHBondContact O-N 2.69Å; C160-F164 HydrophobicContact CB-CD2 3.79Å; C160-F164 HydrophobicContact CB-CE2 3.7Å; C160-F164 WeakPolarHBondContact O-CB 3.37Å; C160-F164 WeakPolarHBondContact O-CD2 3.43Å; C160-F164 WeakPolarHBondContact O-CG 3.49Å; C160-F164 PolarHBondContact O-N 2.94Å |
| 161 | D | 84.2 | Confident | 86.3 | Confident | 73 Ų | 73 | 90.4 Ų | 90.4 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.3 | -52 | 178.6 | -69.1 | -1.1 | 0 | 0 | 0 | 113.1 | V156 H157 L163 F164 E165 | V156-D161 PolarHBondContact O-N 2.83Å; H157-D161 IonicContact CE1-OD2 3.94Å; H157-D161 PolarHBondContact CE1-OD2 3.33Å; H157-D161 IonicContact CG-OD2 3.47Å; H157-D161 IonicContact ND1-OD1 2.65Å; H157-D161 IonicContact ND1-OD2 3.61Å; H157-D161 PolarHBondContact ND1-OD2 3.15Å; H157-D161 WeakPolarHBondContact O-CB 3.34Å; D161-L163 VanDerWaalsContact C-N 3.3Å; D161-L163 PolarHBondContact O-N 2.88Å; D161-F164 PolarHBondContact O-N 3.29Å; D161-E165 VanDerWaalsContact O-CB 3.23Å; D161-E165 WeakPolarHBondContact O-CB 3.36Å; D161-E165 PolarHBondContact O-N 2.91Å |
| 162 | P | 87.7 | Confident | 85.6 | Confident | 66 Ų | 66 | 90.6 Ų | 90.6 | 43% | 0.429 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.6 | -32 | 178.3 | 23.9 | -32.3 | 0 | 0 | 0 | 112.5 | T158 F159 A166 | T158-P162 WeakPolarHBondContact O-CD 3.21Å; T158-P162 WeakPolarHBondContact O-CG 3.49Å; F159-P162 WeakPolarHBondContact O-CD 3.38Å; F159-P162 WeakPolarHBondContact O-CG 3.26Å; P162-A166 WeakPolarHBondContact O-CB 3.28Å; P162-A166 PolarHBondContact O-N 2.69Å |
| 163 | L | 84.2 | Confident | 84.5 | Confident | 107 Ų | 107 | 87.8 Ų | 87.8 | 56% | 0.56 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.1 | -47.8 | 174.4 | -77.9 | 171.2 | 0 | 0 | 0 | 111.7 | F159 C160 D161 E165 A166 M167 | F159-L163 VanDerWaalsContact O-CB 3.29Å; F159-L163 WeakPolarHBondContact O-CB 3.5Å; F159-L163 VanDerWaalsContact O-CD1 3.28Å; F159-L163 WeakPolarHBondContact O-CD1 3.23Å; F159-L163 WeakPolarHBondContact O-CG 3.48Å; F159-L163 PolarHBondContact O-N 3.11Å; C160-L163 PolarHBondContact O-N 2.69Å; D161-L163 VanDerWaalsContact C-N 3.3Å; D161-L163 PolarHBondContact O-N 2.88Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-A166 PolarHBondContact O-N 3.43Å; L163-M167 WeakPolarHBondContact O-CB 3.03Å; L163-M167 VanDerWaalsContact O-CG 3.28Å; L163-M167 WeakPolarHBondContact O-CG 3.5Å; L163-M167 PolarHBondContact O-N 2.86Å |
| 164 | F | 84.8 | Confident | 83.7 | Confident | 133 Ų | 133 | 90.6 Ų | 90.6 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.8 | -35.9 | 178.2 | -75.1 | -61 | 0 | 0 | 0 | 111.5 | C160 D161 M167 G168 | C160-F164 HydrophobicContact CB-CD2 3.79Å; C160-F164 HydrophobicContact CB-CE2 3.7Å; C160-F164 WeakPolarHBondContact O-CB 3.37Å; C160-F164 WeakPolarHBondContact O-CD2 3.43Å; C160-F164 WeakPolarHBondContact O-CG 3.49Å; C160-F164 PolarHBondContact O-N 2.94Å; D161-F164 PolarHBondContact O-N 3.29Å; F164-M167 HydrophobicContact CD1-CE 3.26Å; F164-M167 HydrophobicContact CE1-CE 3.56Å; F164-M167 HydrophobicContact CG-CE 4.07Å; F164-G168 PolarHBondContact O-N 3.48Å |
| 165 | E | 85.9 | Confident | 82.5 | Confident | 113 Ų | 113 | 96.8 Ų | 96.8 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 173.3 | -169.3 | 179.1 | 160.9 | 0 | 0 | 111.6 | D161 L163 G168 K169 | D161-E165 VanDerWaalsContact O-CB 3.23Å; D161-E165 WeakPolarHBondContact O-CB 3.36Å; D161-E165 PolarHBondContact O-N 2.91Å; L163-E165 VanDerWaalsContact C-N 3.34Å; E165-G168 PolarHBondContact O-N 3.45Å; E165-K169 WeakPolarHBondContact O-CG 3.41Å; E165-K169 PolarHBondContact O-N 2.73Å; E165-K169 WeakPolarHBondContact OE1-CE 3.38Å; E165-K169 IonicContact OE1-NZ 2.67Å; E165-K169 PolarHBondContact OE1-NZ 3.1Å |
| 166 | A | 85.2 | Confident | 81.7 | Confident | 50 Ų | 50 | 100.9 Ų | 100.9 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P162 L163 G168 K169 C170 | P162-A166 WeakPolarHBondContact O-CB 3.28Å; P162-A166 PolarHBondContact O-N 2.69Å; L163-A166 PolarHBondContact O-N 3.43Å; A166-G168 VanDerWaalsContact C-N 3.32Å; A166-G168 PolarHBondContact O-N 2.99Å; A166-K169 PolarHBondContact O-N 2.8Å; A166-K169 VanDerWaalsContact O-N 3.17Å; A166-C170 PolarHBondContact O-N 3.05Å; A166-C170 PolarHBondContact O-SG 2.8Å |
| 167 | M | 86.2 | Confident | 80.5 | Confident | 85 Ų | 85 | 103.7 Ų | 103.7 | 42% | 0.419 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.7 | -41.7 | 174.6 | -72 | -170.9 | -61.5 | 0 | 0 | 111.6 | L163 F164 K169 C170 F171 | L163-M167 WeakPolarHBondContact O-CB 3.03Å; L163-M167 VanDerWaalsContact O-CG 3.28Å; L163-M167 WeakPolarHBondContact O-CG 3.5Å; L163-M167 PolarHBondContact O-N 2.86Å; F164-M167 HydrophobicContact CD1-CE 3.26Å; F164-M167 HydrophobicContact CE1-CE 3.56Å; F164-M167 HydrophobicContact CG-CE 4.07Å; M167-K169 VanDerWaalsContact C-N 3.31Å; M167-K169 PolarHBondContact O-N 3.33Å; M167-C170 WeakPolarHBondContact O-CB 2.95Å; M167-C170 PolarHBondContact O-N 3.18Å; M167-F171 HydrophobicContact CB-CE2 4.42Å; M167-F171 WeakPolarHBondContact O-CD2 3.42Å; M167-F171 PolarHBondContact O-N 2.92Å |
| 168 | G | 85.6 | Confident | 79.3 | Confident | 38 Ų | 38 | 104 Ų | 104 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F164 E165 A166 F171 S172 | F164-G168 PolarHBondContact O-N 3.48Å; E165-G168 PolarHBondContact O-N 3.45Å; A166-G168 VanDerWaalsContact C-N 3.32Å; A166-G168 PolarHBondContact O-N 2.99Å; G168-F171 PolarHBondContact O-N 3.09Å; G168-S172 VanDerWaalsContact O-CB 3.3Å; G168-S172 WeakPolarHBondContact O-CB 3.39Å; G168-S172 PolarHBondContact O-N 3.29Å |
| 169 | K | 81.6 | Confident | 78 | Confident | 123 Ų | 123 | 106 Ų | 106 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.4 | -38.2 | 173.6 | -74.9 | 173 | -175.5 | 151 | 0 | 112.8 | E165 A166 M167 F171 S172 S173 | E165-K169 WeakPolarHBondContact O-CG 3.41Å; E165-K169 PolarHBondContact O-N 2.73Å; E165-K169 WeakPolarHBondContact OE1-CE 3.38Å; E165-K169 IonicContact OE1-NZ 2.67Å; E165-K169 PolarHBondContact OE1-NZ 3.1Å; A166-K169 PolarHBondContact O-N 2.8Å; A166-K169 VanDerWaalsContact O-N 3.17Å; M167-K169 VanDerWaalsContact C-N 3.31Å; M167-K169 PolarHBondContact O-N 3.33Å; K169-F171 VanDerWaalsContact C-N 3.31Å; K169-F171 PolarHBondContact O-N 3.25Å; K169-S172 PolarHBondContact O-N 3.26Å; K169-S172 PolarHBondContact O-OG 3.03Å; K169-S173 PolarHBondContact O-N 3.27Å |
| 170 | C | 81.6 | Confident | 76.6 | Confident | 92 Ų | 92 | 108.8 Ų | 108.8 | 62% | 0.622 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.2 | -41.1 | 174.1 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | A166 M167 | A166-C170 PolarHBondContact O-N 3.05Å; A166-C170 PolarHBondContact O-SG 2.8Å; M167-C170 WeakPolarHBondContact O-CB 2.95Å; M167-C170 PolarHBondContact O-N 3.18Å |
| 171 | F | 77.6 | Confident | 75.7 | Confident | 145 Ų | 145 | 110.1 Ų | 110.1 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -80.7 | -26.9 | 178.7 | -65.7 | -56 | 0 | 0 | 0 | 113.9 | M167 G168 K169 S173 I174 | M167-F171 HydrophobicContact CB-CE2 4.42Å; M167-F171 WeakPolarHBondContact O-CD2 3.42Å; M167-F171 PolarHBondContact O-N 2.92Å; G168-F171 PolarHBondContact O-N 3.09Å; K169-F171 VanDerWaalsContact C-N 3.31Å; K169-F171 PolarHBondContact O-N 3.25Å; F171-S173 VanDerWaalsContact C-N 3.26Å; F171-S173 PolarHBondContact O-N 3.02Å; F171-I174 HydrophobicContact CD1-CD1 4.4Å; F171-I174 PolarHBondContact O-N 3.08Å |
| 172 | S | 75.8 | Confident | 74 | Confident | 85 Ų | 85 | 117 Ų | 117 | 59% | 0.594 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.2 | -21.2 | 178.2 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | G168 K169 I174 | G168-S172 VanDerWaalsContact O-CB 3.3Å; G168-S172 WeakPolarHBondContact O-CB 3.39Å; G168-S172 PolarHBondContact O-N 3.29Å; K169-S172 PolarHBondContact O-N 3.26Å; K169-S172 PolarHBondContact O-OG 3.03Å; S172-I174 PolarHBondContact O-N 3.31Å |
| 173 | S | 69.4 | Low | 73.3 | Confident | 98 Ų | 98 | 119.5 Ų | 119.5 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -9.5 | 174.9 | -168.8 | 0 | 0 | 0 | 0 | 113.5 | K169 F171 R175 | K169-S173 PolarHBondContact O-N 3.27Å; F171-S173 VanDerWaalsContact C-N 3.26Å; F171-S173 PolarHBondContact O-N 3.02Å; S173-R175 PolarHBondContact O-N 2.88Å; S173-R175 VanDerWaalsContact O-N 3.13Å |
| 174 | I | 71.6 | Confident | 72.7 | Confident | 117 Ų | 117 | 120.2 Ų | 120.2 | 60% | 0.6 | 67% | 0.669 | S | S | * | * | trans | -83.9 | 86.2 | 174.5 | -62.6 | 165.2 | 0 | 0 | 0 | 107.9 | F171 S172 I176 | F171-I174 HydrophobicContact CD1-CD1 4.4Å; F171-I174 PolarHBondContact O-N 3.08Å; S172-I174 PolarHBondContact O-N 3.31Å; I174-I176 HydrophobicContact CG2-CG1 4.27Å | ||
| 175 | R | 67.3 | Low | 72.1 | Confident | 235 Ų | 235 | 119.4 Ų | 119.4 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | trans | -85.1 | 110.8 | 167.7 | -76.6 | -166.4 | -173.7 | -106.1 | 3.2 | 109.5 | S173 S177 | S173-R175 PolarHBondContact O-N 2.88Å; S173-R175 VanDerWaalsContact O-N 3.13Å; R175-S177 PolarHBondContact O-N 3.27Å | ||
| 176 | I | 71.6 | Confident | 71.2 | Confident | 143 Ų | 143 | 119.8 Ų | 119.8 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | trans | -81.5 | 105.1 | 169.9 | -60.4 | 167.1 | 0 | 0 | 0 | 107.4 | I174 T178 | I174-I176 HydrophobicContact CG2-CG1 4.27Å; I176-T178 PolarHBondContact O-N 3.23Å | ||
| 177 | S | 65 | Low | 70.4 | Confident | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -84 | 99 | 168.8 | 53.5 | 0 | 0 | 0 | 0 | 109 | R175 T179 | R175-S177 PolarHBondContact O-N 3.27Å; S177-T179 VanDerWaalsContact C-N 3.35Å; S177-T179 PolarHBondContact O-N 2.87Å | ||
| 178 | T | 64.1 | Low | 69.3 | Low | 117 Ų | 117 | 126.8 Ų | 126.8 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | trans | -74.4 | 90.8 | 172.4 | -35.6 | 0 | 0 | 0 | 0 | 108.5 | I176 K180 | I176-T178 PolarHBondContact O-N 3.23Å; T178-K180 PolarHBondContact O-N 2.88Å | ||
| 179 | T | 59.8 | Low | 68.2 | Low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -65 | 101.1 | 165.3 | -63.5 | 0 | 0 | 0 | 0 | 107.1 | S177 G181 | S177-T179 VanDerWaalsContact C-N 3.35Å; S177-T179 PolarHBondContact O-N 2.87Å; T179-G181 VanDerWaalsContact C-N 3.32Å; T179-G181 PolarHBondContact O-N 2.89Å | ||
| 180 | K | 57.6 | Low | 67.1 | Low | 194 Ų | 194 | 133.9 Ų | 133.9 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -66.6 | 99.5 | 163.4 | -83.7 | -179.7 | 171.8 | 169.5 | 0 | 106.7 | T178 V182 | T178-K180 PolarHBondContact O-N 2.88Å; K180-V182 PolarHBondContact O-N 3.26Å | ||
| 181 | G | 62.6 | Low | 65.9 | Low | 68 Ų | 68 | 137.4 Ų | 137.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -57.6 | 129.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | T179 | T179-G181 VanDerWaalsContact C-N 3.32Å; T179-G181 PolarHBondContact O-N 2.89Å | ||
| 182 | V | 48.7 | Very low | 64.8 | Low | 217 Ų | 217 | 136.7 Ų | 136.7 | 100% | 1.315 | 78% | 0.78 | S | S | * | * | trans | -49 | 0 | 179.1 | 177.5 | 0 | 0 | 0 | 0 | 112 | K180 | K180-V182 PolarHBondContact O-N 3.26Š|
Retrieved 182 of 182 residues in 289.4 ms
(Link to these results)