| 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 | 45.5 | Very low | 43.7 | Very low | 241 Ų | 241 | 143.9 Ų | 143.9 | 100% | 1.187 | 79% | 0.788 | S | S | * | * | 0 | 92 | 0 | -65.3 | 178.8 | 169.4 | 0 | 0 | 106 | |||||
| 2 | A | 40.3 | Very low | 43.4 | Very low | 85 Ų | 85 | 144.8 Ų | 144.8 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | 64.2 | 122.6 | 98.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 3 | N | 44.7 | Very low | 43 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | cis | -161.2 | 150.9 | 15.4 | -82.5 | -34.8 | 0 | 0 | 0 | 109.1 | ||||
| 4 | R | 48.4 | Very low | 42.5 | Very low | 240 Ų | 240 | 149.3 Ų | 149.3 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -79.9 | 166.3 | 152 | -83.5 | -177.9 | 171.5 | 170 | -2.7 | 108.8 | ||||
| 5 | P | 50.5 | Low | 42.2 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | -154.1 | 147.7 | 100.3 | 41.5 | -22.3 | 0 | 0 | 0 | 114.7 | |||||
| 6 | T | 44.7 | Very low | 41.9 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | 73.7 | 139.1 | 114.1 | 60 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 7 | G | 43 | Very low | 41.8 | Very low | 68 Ų | 68 | 155.7 Ų | 155.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | 175 | -176.8 | 6.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 8 | E | 41.1 | Very low | 41.7 | Very low | 172 Ų | 172 | 155.2 Ų | 155.2 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 64.1 | 146.6 | 150.1 | -60.5 | -163 | 133.2 | 0 | 0 | 121.5 | ||||
| 9 | Q | 41 | Very low | 41.2 | Very low | 112 Ų | 112 | 158.4 Ų | 158.4 | 52% | 0.523 | 81% | 0.812 | S | S | . | * | cis | -172.2 | 156.7 | 4.9 | -115.4 | 174.9 | 29.1 | 0 | 0 | 111.3 | ||||
| 10 | K | 41.1 | Very low | 41.5 | Very low | 181 Ų | 181 | 160.5 Ų | 160.5 | 79% | 0.787 | 82% | 0.818 | S | S | * | * | trans | 71.6 | 148.7 | 145.5 | -72.1 | 167.4 | -180 | 159.5 | 0 | 120.1 | ||||
| 11 | A | 40.5 | Very low | 41.3 | Very low | 82 Ų | 82 | 160 Ų | 160 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | cis | -160.9 | 137.2 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | I | 40.1 | Very low | 40.8 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | 60.3 | 118.1 | 104.7 | -51.6 | 172.6 | 0 | 0 | 0 | 118 | |||||
| 13 | S | 37.6 | Very low | 40.7 | Very low | 126 Ų | 126 | 158.1 Ų | 158.1 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -161 | 127.7 | 132.9 | -87 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 14 | R | 36.7 | Very low | 40.1 | Very low | 227 Ų | 227 | 156.9 Ų | 156.9 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -91.8 | 147 | 177.3 | -79.3 | 173.4 | 164 | 178.1 | -4.4 | 110.4 | ||||
| 15 | M | 37.9 | Very low | 39.5 | Very low | 203 Ų | 203 | 151.4 Ų | 151.4 | 100% | 1 | 80% | 0.795 | S | S | * | * | trans | -138 | 135.7 | 146.3 | -88.5 | -165.5 | 174.3 | 0 | 0 | 110.8 | ||||
| 16 | T | 36.6 | Very low | 38.7 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -119.9 | 156.5 | -177.4 | 32.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 17 | R | 40.3 | Very low | 38.2 | Very low | 228 Ų | 228 | 155.2 Ų | 155.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 146.4 | 140.2 | 154.2 | -85.4 | 175 | -178.4 | 179.4 | 1.7 | 108.2 | ||||
| 18 | N | 40.3 | Very low | 37.6 | Very low | 147 Ų | 147 | 155.1 Ų | 155.1 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -160.9 | 150.9 | 4 | -107.6 | -20.3 | 0 | 0 | 0 | 108.1 | ||||
| 19 | R | 32.1 | Very low | 37.1 | Very low | 216 Ų | 216 | 153.8 Ų | 153.8 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -110.8 | 134.7 | 172.4 | -170.4 | -176.9 | -170.3 | -177.7 | 3 | 107.2 | ||||
| 20 | Q | 46.9 | Very low | 36.5 | Very low | 200 Ų | 200 | 152.7 Ų | 152.7 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -126 | 141.1 | 163.1 | -84.3 | -172 | -15.2 | 0 | 0 | 110.3 | ||||
| 21 | Q | 37.9 | Very low | 35.9 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -105.8 | 152.4 | -177.7 | -74.5 | 177.2 | -33.4 | 0 | 0 | 110.5 | ||||
| 22 | N | 34.2 | Very low | 35.4 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | trans | 60.9 | 122.6 | 147.8 | -63.2 | -9.4 | 0 | 0 | 0 | 120.6 | ||||
| 23 | T | 39.7 | Very low | 35.1 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | -179.2 | 129.8 | 116 | 26.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 24 | T | 31.9 | Very low | 34.7 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -81 | 153.1 | 165.4 | 0.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 25 | P | 36.2 | Very low | 34.3 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | -151.2 | 143.7 | 84.6 | 35.7 | -15 | 0 | 0 | 0 | 117.7 | |||||
| 26 | N | 33.1 | Very low | 34 | Very low | 130 Ų | 130 | 150.8 Ų | 150.8 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | 31.9 | 137.5 | 132.1 | -101.1 | -0.3 | 0 | 0 | 0 | 125.9 | ||||
| 27 | F | 33.3 | Very low | 33.7 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 81.5 | 124.7 | 152.5 | -68.4 | -68.8 | 0 | 0 | 0 | 121.2 | ||||
| 28 | G | 31.5 | Very low | 33.2 | Very low | 66 Ų | 66 | 150.3 Ų | 150.3 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | trans | 134.1 | 76.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 29 | T | 29.5 | Very low | 32.5 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | 31 | 131.1 | 144.9 | 49.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 30 | A | 29.3 | Very low | 32.3 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 106.4 | 119.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 31 | N | 29.1 | Very low | 31.4 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | 67.1 | 97.9 | 154.1 | -60.4 | -20.6 | 0 | 0 | 0 | 119.1 | ||||
| 32 | A | 29.4 | Very low | 31.2 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -176.6 | 129.8 | 136 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 33 | S | 32.4 | Very low | 31 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 53 | 86.9 | 145.2 | 75 | 0 | 0 | 0 | 0 | 119.7 | R35 | S33-R35 PolarHBondContact O-N 3.47Š| ||
| 34 | A | 29.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -81 | 100.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110 | R36 | A34-R36 VanDerWaalsContact C-N 3.33Å; A34-R36 PolarHBondContact O-N 3.36Å | ||
| 35 | R | 29 | Very low | 31 | Very low | 250 Ų | 250 | 131.2 Ų | 131.2 | 94% | 0.943 | 74% | 0.739 | S | S | * | * | trans | -52.1 | 96.5 | 154.5 | -87 | 176.3 | 167.8 | 175.8 | -3.5 | 108.3 | S33 Q37 | S33-R35 PolarHBondContact O-N 3.47Å; R35-Q37 PolarHBondContact O-N 3.19Å | ||
| 36 | R | 30.8 | Very low | 30.8 | Very low | 224 Ų | 224 | 129 Ų | 129 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | -85.1 | 111.9 | 173.4 | -77.5 | -172.2 | 177.1 | -178.5 | 0.4 | 109.7 | A34 T38 | A34-R36 VanDerWaalsContact C-N 3.33Å; A34-R36 PolarHBondContact O-N 3.36Å; R36-T38 PolarHBondContact O-N 2.89Å | ||
| 37 | Q | 30.6 | Very low | 30.7 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | -49.1 | 116.3 | 160 | -69.7 | 170.4 | -20.5 | 0 | 0 | 109.5 | R35 G39 | R35-Q37 PolarHBondContact O-N 3.19Å; Q37-G39 PolarHBondContact O-N 3.49Å | ||
| 38 | T | 29.8 | Very low | 30.9 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 95% | 0.945 | 70% | 0.695 | S | S | * | * | trans | -79.1 | 72.9 | 167.3 | 37.5 | 0 | 0 | 0 | 0 | 108.9 | R36 | R36-T38 PolarHBondContact O-N 2.89Š| ||
| 39 | G | 27.2 | Very low | 31 | Very low | 53 Ų | 53 | 120.3 Ų | 120.3 | 55% | 0.546 | 67% | 0.666 | S | S | . | * | trans | -98.4 | 117.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q37 | Q37-G39 PolarHBondContact O-N 3.49Š| ||
| 40 | L | 27 | Very low | 31.3 | Very low | 145 Ų | 145 | 120.1 Ų | 120.1 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | trans | 40.5 | 94 | 139.2 | -69 | 155.3 | 0 | 0 | 0 | 117.3 | L42 | L40-L42 HydrophobicContact CD2-CD1 3.79Š| ||
| 41 | I | 28.3 | Very low | 31.4 | Very low | 142 Ų | 142 | 123 Ų | 123 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | trans | -104.5 | 93.1 | 153.5 | -54.7 | 177.5 | 0 | 0 | 0 | 106.7 | ||||
| 42 | L | 33.2 | Very low | 31.7 | Very low | 70 Ų | 70 | 119.1 Ų | 119.1 | 37% | 0.366 | 63% | 0.631 | S | S | . | * | trans | -125.2 | 12.8 | -176.9 | -121.8 | 136.4 | 0 | 0 | 0 | 116.8 | L40 | L40-L42 HydrophobicContact CD2-CD1 3.79Š| ||
| 43 | P | 30.3 | Very low | 31.8 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -97.7 | -21.1 | 168.9 | -8.8 | 27.6 | 0 | 0 | 0 | 117.2 | ||
| 44 | Q | 35.6 | Very low | 31.8 | Very low | 150 Ų | 150 | 122.2 Ų | 122.2 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -81.5 | -21.9 | -167 | -84.6 | 177.4 | -19 | 0 | 0 | 115.7 | T47 | Q44-T47 PolarHBondContact O-OG1 3.12Š|
| 45 | E | 35.6 | Very low | 31.8 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 33% | 0.332 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -83.2 | -16 | -176.1 | -65.2 | -175.5 | 154.7 | 0 | 0 | 113.3 | T47 R354 | E45-T47 VanDerWaalsContact C-N 3.3Å; E45-R354 IonicContact OE1-CZ 3.14Å; E45-R354 IonicContact OE1-NH1 2.69Å; E45-R354 PolarHBondContact OE1-NH1 3.5Å; E45-R354 IonicContact OE1-NH2 2.9Å; E45-R354 PolarHBondContact OE1-NH2 2.9Å; E45-R354 IonicContact OE2-NH1 2.69Å; E45-R354 IonicContact OE2-NH2 4Å |
| 46 | I | 33.3 | Very low | 31.9 | Very low | 77 Ų | 77 | 118.6 Ų | 118.6 | 40% | 0.395 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -75.6 | -22.3 | 174.6 | -61.3 | 176.5 | 0 | 0 | 0 | 111 | Q48 L49 | I46-Q48 VanDerWaalsContact C-N 3.27Å; I46-Q48 PolarHBondContact O-N 3.08Å; I46-L49 PolarHBondContact O-N 2.85Å |
| 47 | T | 30.9 | Very low | 31.9 | Very low | 79 Ų | 79 | 114.9 Ų | 114.9 | 49% | 0.485 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -66.4 | -28.3 | 176 | -31.4 | 0 | 0 | 0 | 0 | 112.2 | Q44 E45 L49 Q50 | Q44-T47 PolarHBondContact O-OG1 3.12Å; E45-T47 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 3.36Å; T47-Q50 WeakPolarHBondContact O-CB 3.27Å; T47-Q50 PolarHBondContact O-N 3.38Å; T47-Q50 VanDerWaalsContact O-N 3.14Å |
| 48 | Q | 36.7 | Very low | 31.9 | Very low | 117 Ų | 117 | 112 Ų | 112 | 55% | 0.547 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -72.8 | -9.8 | 176.7 | -65.7 | -172.7 | -3.5 | 0 | 0 | 113.8 | I46 | I46-Q48 VanDerWaalsContact C-N 3.27Å; I46-Q48 PolarHBondContact O-N 3.08Å |
| 49 | L | 34.3 | Very low | 31.9 | Very low | 14 Ų | 14 | 111.1 Ų | 111.1 | 7% | 0.073 | 59% | 0.592 | C | S | . | * | G | 310 helix | trans | -96.7 | -1.4 | 173.1 | -76.2 | 171.8 | 0 | 0 | 0 | 112.8 | I46 T47 R51 W280 Y283 L287 L290 L357 | I46-L49 PolarHBondContact O-N 2.85Å; T47-L49 PolarHBondContact O-N 3.36Å; L49-R51 PolarHBondContact O-N 3.41Å; L49-W280 HydrophobicContact CD2-CH2 4.24Å; L49-W280 HydrophobicContact CD2-CZ3 4.26Å; L49-Y283 HydrophobicContact CB-CE2 3.99Å; L49-Y283 HydrophobicContact CD2-CE2 4.31Å; L49-Y283 VanDerWaalsContact O-CE2 3.27Å; L49-Y283 WeakPolarHBondContact O-CE2 3.44Å; L49-Y283 PolarHBondContact O-OH 2.94Å; L49-L287 HydrophobicContact CD1-CD1 4.07Å; L49-L290 HydrophobicContact CD1-CD2 3.68Å; L49-L357 HydrophobicContact CG-CD2 4.47Å |
| 50 | Q | 34.5 | Very low | 32 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -62.3 | 131 | 165.4 | -78.1 | 179.9 | -35.8 | 0 | 0 | 108.3 | T47 | T47-Q50 WeakPolarHBondContact O-CB 3.27Å; T47-Q50 PolarHBondContact O-N 3.38Å; T47-Q50 VanDerWaalsContact O-N 3.14Å |
| 51 | R | 32.6 | Very low | 32.2 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 56% | 0.562 | 61% | 0.609 | S | S | * | * | trans | -47.3 | 138.9 | 172.6 | -76.8 | -177.2 | 174.2 | -171.3 | -1.9 | 108.5 | L49 I53 E77 | L49-R51 PolarHBondContact O-N 3.41Å; R51-I53 PolarHBondContact O-N 3.12Å; R51-E77 PolarHBondContact NH1-O 2.9Å | ||
| 52 | P | 35 | Very low | 32.2 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | trans | -60.7 | 104 | 169 | 24.4 | -29.8 | 0 | 0 | 0 | 107.8 | I54 | P52-I54 PolarHBondContact O-N 2.86Š| ||
| 53 | I | 32.1 | Very low | 32 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 75% | 0.754 | 63% | 0.629 | S | S | * | * | trans | -80.4 | 100.4 | 160.8 | -58.9 | 174.9 | 0 | 0 | 0 | 103.4 | R51 P55 | R51-I53 PolarHBondContact O-N 3.12Å; I53-P55 WeakPolarHBondContact O-CD 3.07Å | ||
| 54 | I | 31 | Very low | 31.7 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 65% | 0.646 | 64% | 0.637 | S | S | * | * | trans | -79.1 | 111.1 | 163.7 | -60.3 | 172.6 | 0 | 0 | 0 | 104.4 | P52 L56 | P52-I54 PolarHBondContact O-N 2.86Å; I54-L56 PolarHBondContact O-N 3.19Å | ||
| 55 | P | 29.2 | Very low | 31.5 | Very low | 100 Ų | 100 | 125 Ų | 125 | 65% | 0.649 | 64% | 0.635 | S | S | * | * | trans | -66.8 | 102.4 | 168.3 | 27.8 | -30 | 0 | 0 | 0 | 107.1 | I53 N57 | I53-P55 WeakPolarHBondContact O-CD 3.07Å; P55-N57 PolarHBondContact O-N 3.36Å | ||
| 56 | L | 31.3 | Very low | 31.2 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 84% | 0.843 | 66% | 0.662 | S | S | * | * | trans | -77 | 103.8 | 160 | -74.8 | 166.1 | 0 | 0 | 0 | 105.6 | I54 N58 | I54-L56 PolarHBondContact O-N 3.19Å; L56-N58 PolarHBondContact O-N 3.34Å | ||
| 57 | N | 32.1 | Very low | 31.2 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | trans | -59.6 | 120.5 | 168.2 | -87 | -11.3 | 0 | 0 | 0 | 108.5 | P55 | P55-N57 PolarHBondContact O-N 3.36Š| ||
| 58 | N | 30.7 | Very low | 31 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 55.2 | 120 | 155.2 | -62 | 0 | 0 | 0 | 0 | 119.1 | L56 | L56-N58 PolarHBondContact O-N 3.34Š|
| 59 | D | 28.7 | Very low | 30.6 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | trans | 70.6 | 130.4 | 136.3 | -53.3 | -29.5 | 0 | 0 | 0 | 119.6 | Q61 | D59-Q61 PolarHBondContact O-N 3.37Å; D59-Q61 VanDerWaalsContact O-N 3.11Å | ||
| 60 | H | 30.8 | Very low | 30.1 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 85% | 0.852 | 72% | 0.722 | S | S | * | * | trans | -35.9 | 108.5 | 175.7 | -59.2 | -72.5 | 0 | 0 | 0 | 113.6 | ||||
| 61 | Q | 29.9 | Very low | 29.7 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | -104.2 | 100.1 | 163.9 | -78.3 | -168.7 | 0.7 | 0 | 0 | 110.5 | D59 V63 | D59-Q61 PolarHBondContact O-N 3.37Å; D59-Q61 VanDerWaalsContact O-N 3.11Å; Q61-V63 PolarHBondContact O-N 3.04Å | ||
| 62 | T | 29 | Very low | 29.4 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -79.1 | 92.2 | 167.3 | -27.1 | 0 | 0 | 0 | 0 | 108.3 | R64 | T62-R64 PolarHBondContact O-N 3.02Š| ||
| 63 | V | 27.8 | Very low | 28.9 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -82.5 | 95.7 | 172.4 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | Q61 | Q61-V63 PolarHBondContact O-N 3.04Š| ||
| 64 | R | 25.6 | Very low | 28.7 | Very low | 218 Ų | 218 | 145 Ų | 145 | 82% | 0.823 | 75% | 0.747 | S | S | * | * | trans | -76.2 | 117.9 | 168.1 | -88.9 | -175.5 | 175 | 174.1 | -0.4 | 109.1 | T62 | T62-R64 PolarHBondContact O-N 3.02Š| ||
| 65 | N | 29.9 | Very low | 28.5 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | trans | -113.9 | 123.1 | 168.7 | -151.9 | -12.4 | 0 | 0 | 0 | 109.1 | A67 | N65-A67 PolarHBondContact O-N 3.17Š| ||
| 66 | F | 29.8 | Very low | 28.5 | Very low | 203 Ų | 203 | 146.5 Ų | 146.5 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 19.2 | -166.4 | -85.3 | -85.5 | 0 | 0 | 0 | 116.1 | ||
| 67 | A | 32.7 | Very low | 28.2 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.1 | -12.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N65 | N65-A67 PolarHBondContact O-N 3.17Š|
| 68 | T | 27.8 | Very low | 28 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | trans | -158.5 | 114.1 | 176.8 | 33.1 | 0 | 0 | 0 | 0 | 110.4 | V70 | T68-V70 PolarHBondContact O-N 2.91Š| ||
| 69 | T | 27.1 | Very low | 27.7 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 89% | 0.89 | 74% | 0.735 | S | S | * | * | trans | -77.1 | 86.7 | 175.7 | -19 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 70 | V | 24.4 | Very low | 27.5 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 52% | 0.521 | 73% | 0.733 | S | S | . | * | trans | -112.6 | 102.8 | 167.7 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | T68 Y72 | T68-V70 PolarHBondContact O-N 2.91Å; V70-Y72 HydrophobicContact CB-CE2 4.11Å; V70-Y72 HydrophobicContact CG1-CD2 4.01Å; V70-Y72 HydrophobicContact CG1-CE1 4.13Å; V70-Y72 HydrophobicContact CG1-CE2 3.43Å; V70-Y72 VanDerWaalsContact CG1-CE2 3.43Å | ||
| 71 | T | 25.6 | Very low | 27.2 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | trans | -85.1 | 112.9 | 174.5 | -35.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 72 | Y | 27.6 | Very low | 27 | Very low | 182 Ų | 182 | 138 Ų | 138 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | trans | -93.2 | 105.9 | 169.7 | -67.3 | -82.4 | 0 | 0 | 0 | 109 | V70 Y74 | V70-Y72 HydrophobicContact CB-CE2 4.11Å; V70-Y72 HydrophobicContact CG1-CD2 4.01Å; V70-Y72 HydrophobicContact CG1-CE1 4.13Å; V70-Y72 HydrophobicContact CG1-CE2 3.43Å; V70-Y72 VanDerWaalsContact CG1-CE2 3.43Å; Y72-Y74 PolarHBondContact O-N 3.01Å | ||
| 73 | E | 24.8 | Very low | 26.8 | Very low | 149 Ų | 149 | 141 Ų | 141 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | trans | -88.5 | 98.8 | 172.3 | -158.1 | -171.9 | -174.5 | 0 | 0 | 108.7 | K75 | E73-K75 PolarHBondContact O-N 3.3Å; E73-K75 WeakPolarHBondContact OE1-CE 2.97Å; E73-K75 IonicContact OE1-NZ 3.8Å | ||
| 74 | Y | 27.9 | Very low | 26.9 | Very low | 216 Ų | 216 | 141.4 Ų | 141.4 | 85% | 0.847 | 73% | 0.727 | S | S | * | * | trans | -86.9 | 92.1 | 171.1 | -93.5 | -90.9 | 0 | 0 | 0 | 109.5 | Y72 S76 | Y72-Y74 PolarHBondContact O-N 3.01Å; Y74-S76 PolarHBondContact O-N 3.38Å | ||
| 75 | K | 26.9 | Very low | 26.9 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | trans | -73.5 | 101.3 | 166.5 | -82 | 178.3 | 178 | 164 | 0 | 109.6 | E73 E77 | E73-K75 PolarHBondContact O-N 3.3Å; E73-K75 WeakPolarHBondContact OE1-CE 2.97Å; E73-K75 IonicContact OE1-NZ 3.8Å; K75-E77 PolarHBondContact O-N 3.32Å; K75-E77 VanDerWaalsContact O-N 3.1Å | ||
| 76 | S | 27.6 | Very low | 27 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -69.9 | 95.7 | 161.3 | 56.7 | 0 | 0 | 0 | 0 | 108.8 | Y74 T78 | Y74-S76 PolarHBondContact O-N 3.38Å; S76-T78 VanDerWaalsContact C-N 3.27Å; S76-T78 PolarHBondContact O-N 3.17Å | ||
| 77 | E | 26.7 | Very low | 26.9 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | -74.2 | 84.4 | 167.3 | -76.1 | -176.4 | 172.9 | 0 | 0 | 109.9 | R51 K75 V79 | R51-E77 PolarHBondContact NH1-O 2.9Å; K75-E77 PolarHBondContact O-N 3.32Å; K75-E77 VanDerWaalsContact O-N 3.1Å; E77-V79 PolarHBondContact O-N 3.34Å; E77-V79 VanDerWaalsContact O-N 3.14Å | ||
| 78 | T | 26.8 | Very low | 26.5 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | trans | -66.9 | 95.5 | 156.7 | 22.7 | 0 | 0 | 0 | 0 | 108.6 | S76 I80 | S76-T78 VanDerWaalsContact C-N 3.27Å; S76-T78 PolarHBondContact O-N 3.17Å; T78-I80 VanDerWaalsContact C-N 3.33Å; T78-I80 PolarHBondContact O-N 3.12Å | ||
| 79 | V | 24.2 | Very low | 26.6 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 61% | 0.606 | 74% | 0.742 | S | S | * | * | trans | -77.4 | 91.7 | 165.7 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | E77 C81 | E77-V79 PolarHBondContact O-N 3.34Å; E77-V79 VanDerWaalsContact O-N 3.14Å; V79-C81 PolarHBondContact O-N 3.13Å | ||
| 80 | I | 24.4 | Very low | 26.6 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | trans | -77.3 | 104.4 | 161 | -58.3 | 174.4 | 0 | 0 | 0 | 105.8 | T78 Q82 | T78-I80 VanDerWaalsContact C-N 3.33Å; T78-I80 PolarHBondContact O-N 3.12Å; I80-Q82 HydrophobicContact CG2-CG 4.11Å; I80-Q82 PolarHBondContact O-N 3.25Å | ||
| 81 | C | 25.3 | Very low | 26.7 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -72.4 | 85.5 | 164.4 | -79.5 | 0 | 0 | 0 | 0 | 108.6 | V79 Q83 | V79-C81 PolarHBondContact O-N 3.13Å; C81-Q83 PolarHBondContact O-N 3.04Å | ||
| 82 | Q | 24.9 | Very low | 26.9 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -70.5 | 112.2 | 158.6 | -95.4 | 178.1 | -15.2 | 0 | 0 | 108.2 | I80 N84 | I80-Q82 HydrophobicContact CG2-CG 4.11Å; I80-Q82 PolarHBondContact O-N 3.25Å; Q82-N84 PolarHBondContact O-N 3.45Å; Q82-N84 VanDerWaalsContact O-N 3.11Å | ||
| 83 | Q | 25.3 | Very low | 26.7 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -69.1 | 94.3 | 161.7 | -103.6 | -177.9 | -32.1 | 0 | 0 | 108 | C81 | C81-Q83 PolarHBondContact O-N 3.04Š| ||
| 84 | N | 29.5 | Very low | 26.6 | Very low | 129 Ų | 129 | 136 Ų | 136 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | trans | -92 | 105.2 | 164.9 | -73.1 | -5.1 | 0 | 0 | 0 | 108.6 | Q82 | Q82-N84 PolarHBondContact O-N 3.45Å; Q82-N84 VanDerWaalsContact O-N 3.11Å | ||
| 85 | N | 26.9 | Very low | 26.3 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -67.5 | 116.7 | 159.4 | -83.3 | -27.6 | 0 | 0 | 0 | 108.5 | ||||
| 86 | S | 30.7 | Very low | 26.3 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -170.7 | 127.7 | 153.2 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 87 | G | 27.4 | Very low | 26.1 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 82.4 | 90.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 88 | I | 25 | Very low | 26 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | 48.6 | 104.1 | 82.3 | -46.6 | 177.5 | 0 | 0 | 0 | 112.8 | |||||
| 89 | K | 29 | Very low | 25.9 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | -170 | 134.5 | 108.6 | -96.8 | -179.6 | -175.1 | 178.5 | 0 | 111.5 | |||||
| 90 | E | 27.4 | Very low | 25.9 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -57 | 145.7 | 173.6 | -60.3 | 166.2 | 142.2 | 0 | 0 | 111.4 | ||||
| 91 | N | 27.2 | Very low | 26 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | 178.7 | 142.5 | 122.9 | -90.8 | -24.9 | 0 | 0 | 0 | 112.4 | |||||
| 92 | S | 28.7 | Very low | 26 | Very low | 119 Ų | 119 | 157.7 Ų | 157.7 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | 62.6 | 107.7 | 164.3 | 56.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 93 | G | 23.3 | Very low | 26.1 | Very low | 86 Ų | 86 | 154.4 Ų | 154.4 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | 101.3 | 96.6 | 55.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 94 | G | 23.7 | Very low | 26.3 | Very low | 73 Ų | 73 | 155.3 Ų | 155.3 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 177.6 | 78.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V96 | G94-V96 PolarHBondContact O-N 2.77Š| ||
| 95 | F | 22.5 | Very low | 26.4 | Very low | 218 Ų | 218 | 159.6 Ų | 159.6 | 96% | 0.956 | 82% | 0.819 | S | S | * | * | trans | -62.2 | 115.8 | 166 | -85 | -103 | 0 | 0 | 0 | 110.6 | ||||
| 96 | V | 24.9 | Very low | 26.5 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -136.9 | 94.9 | 155.3 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | G94 | G94-V96 PolarHBondContact O-N 2.77Š| ||
| 97 | K | 24.9 | Very low | 26.6 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 12 | 122.8 | 145.2 | -76.1 | 170.6 | 175.2 | 169.1 | 0 | 118.8 | R99 | K97-R99 PolarHBondContact O-N 3.36Š| ||
| 98 | R | 24 | Very low | 26.8 | Very low | 252 Ų | 252 | 157 Ų | 157 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | trans | -36 | 113.7 | 142.4 | -66.3 | 176.5 | -172.3 | -173.4 | 2.2 | 110.8 | ||||
| 99 | R | 24.6 | Very low | 27.3 | Very low | 218 Ų | 218 | 152.7 Ų | 152.7 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | trans | -145.9 | 113.6 | 160.3 | -112.6 | -172.9 | -179.1 | 165.6 | 0.1 | 111.9 | K97 | K97-R99 PolarHBondContact O-N 3.36Š| ||
| 100 | L | 25.2 | Very low | 27.5 | Very low | 123 Ų | 123 | 149 Ų | 149 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | trans | 72 | 81.6 | 136.8 | -67.5 | 160.6 | 0 | 0 | 0 | 119.1 | R102 | L100-R102 HydrophobicContact CD2-CB 3.85Å; L100-R102 PolarHBondContact O-N 3.45Å | ||
| 101 | L | 25.6 | Very low | 27.8 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 100% | 1.005 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -65.3 | 37.5 | 151.1 | -115 | 150.1 | 0 | 0 | 0 | 113.3 | ||
| 102 | R | 26.2 | Very low | 28.3 | Very low | 212 Ų | 212 | 143 Ų | 143 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | -132.9 | 19.3 | -165.6 | -140.3 | -175.7 | -167.6 | -166.4 | 3 | 117.4 | L100 | L100-R102 HydrophobicContact CD2-CB 3.85Å; L100-R102 PolarHBondContact O-N 3.45Å | ||
| 103 | S | 27 | Very low | 28.6 | Very low | 79 Ų | 79 | 140.3 Ų | 140.3 | 55% | 0.552 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -128.9 | 3.2 | -175.9 | 68.7 | 0 | 0 | 0 | 0 | 117.9 | ||
| 104 | Y | 28.4 | Very low | 29.2 | Very low | 207 Ų | 207 | 140.1 Ų | 140.1 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -101.2 | -4.2 | -179.6 | -107.7 | -90.3 | 0 | 0 | 0 | 115.3 | ||
| 105 | Y | 30.9 | Very low | 29.9 | Very low | 220 Ų | 220 | 144.7 Ų | 144.7 | 86% | 0.863 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -117.2 | -4.6 | -179.9 | -78.6 | -79.1 | 0 | 0 | 0 | 114.5 | ||
| 106 | S | 29.1 | Very low | 30.7 | Very low | 55 Ų | 55 | 139.3 Ų | 139.3 | 39% | 0.385 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -87.8 | -36.7 | 175.7 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | F108 S109 E110 | S106-F108 PolarHBondContact O-N 2.85Å; S106-S109 PolarHBondContact O-N 3.3Å; S106-S109 PolarHBondContact O-OG 2.95Å; S106-S109 VanDerWaalsContact O-OG 3.09Å; S106-E110 PolarHBondContact O-N 3.34Å |
| 107 | T | 33.2 | Very low | 31.2 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 46% | 0.46 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -69.7 | -28.1 | -176.3 | 41.5 | 0 | 0 | 0 | 0 | 113.8 | S109 E111 | T107-S109 VanDerWaalsContact C-N 3.34Å; T107-E111 PolarHBondContact O-N 3.29Å |
| 108 | F | 32.1 | Very low | 31.8 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 69% | 0.689 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.2 | -20.9 | 176.3 | -123.6 | -91 | 0 | 0 | 0 | 113.5 | S106 T112 | S106-F108 PolarHBondContact O-N 2.85Å; F108-T112 PolarHBondContact O-OG1 3.09Å |
| 109 | S | 34.9 | Very low | 32.3 | Very low | 71 Ų | 71 | 133 Ų | 133 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -86.2 | -26.3 | 176 | 84.4 | 0 | 0 | 0 | 0 | 112.7 | S106 T107 T112 A113 | S106-S109 PolarHBondContact O-N 3.3Å; S106-S109 PolarHBondContact O-OG 2.95Å; S106-S109 VanDerWaalsContact O-OG 3.09Å; T107-S109 VanDerWaalsContact C-N 3.34Å; S109-T112 PolarHBondContact O-OG1 3.3Å; S109-A113 WeakPolarHBondContact O-CB 3.36Å; S109-A113 PolarHBondContact O-N 3.34Å |
| 110 | E | 33.2 | Very low | 32.6 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 58% | 0.575 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -79.6 | -35.4 | 177.7 | -73.6 | 174.8 | 170.2 | 0 | 0 | 112.5 | S106 T112 A113 T114 | S106-E110 PolarHBondContact O-N 3.34Å; E110-T112 VanDerWaalsContact C-N 3.34Å; E110-T112 PolarHBondContact O-N 3.38Å; E110-A113 PolarHBondContact O-N 3.01Å; E110-T114 WeakPolarHBondContact O-CB 3.31Å; E110-T114 WeakPolarHBondContact O-CG2 3.33Å; E110-T114 PolarHBondContact O-N 3.35Å; E110-T114 PolarHBondContact O-OG1 2.9Å |
| 111 | E | 34 | Very low | 32.9 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.1 | -23.5 | 175.3 | -86.4 | -170.8 | 141.8 | 0 | 0 | 113.9 | T107 T114 K115 | T107-E111 PolarHBondContact O-N 3.29Å; E111-T114 WeakPolarHBondContact CA-OG1 3.3Å; E111-T114 PolarHBondContact O-OG1 3Å; E111-K115 WeakPolarHBondContact O-CG 3.49Å |
| 112 | T | 37.1 | Very low | 33.2 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -89.5 | -29.2 | 172.5 | 39.3 | 0 | 0 | 0 | 0 | 112.4 | F108 S109 E110 T114 N116 | F108-T112 PolarHBondContact O-OG1 3.09Å; S109-T112 PolarHBondContact O-OG1 3.3Å; E110-T112 VanDerWaalsContact C-N 3.34Å; E110-T112 PolarHBondContact O-N 3.38Å; T112-T114 VanDerWaalsContact C-N 3.35Å; T112-N116 PolarHBondContact O-ND2 3.14Å |
| 113 | A | 35.1 | Very low | 33.5 | Very low | 62 Ų | 62 | 121.4 Ų | 121.4 | 51% | 0.512 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71 | -27.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S109 E110 | S109-A113 WeakPolarHBondContact O-CB 3.36Å; S109-A113 PolarHBondContact O-N 3.34Å; E110-A113 PolarHBondContact O-N 3.01Å |
| 114 | T | 36.6 | Very low | 33.8 | Very low | 82 Ų | 82 | 125 Ų | 125 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -85.3 | -25.9 | 178.6 | 44.7 | 0 | 0 | 0 | 0 | 113.7 | E110 E111 T112 N116 | E110-T114 WeakPolarHBondContact O-CB 3.31Å; E110-T114 WeakPolarHBondContact O-CG2 3.33Å; E110-T114 PolarHBondContact O-N 3.35Å; E110-T114 PolarHBondContact O-OG1 2.9Å; E111-T114 WeakPolarHBondContact CA-OG1 3.3Å; E111-T114 PolarHBondContact O-OG1 3Å; T112-T114 VanDerWaalsContact C-N 3.35Å; T114-N116 VanDerWaalsContact C-N 3.28Å; T114-N116 PolarHBondContact O-N 2.92Å |
| 115 | K | 37.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -8.2 | 174.6 | -77.4 | 176.8 | 178.7 | 169.8 | 0 | 114.6 | E111 | E111-K115 WeakPolarHBondContact O-CG 3.49Š|
| 116 | N | 39.1 | Very low | 34 | Very low | 105 Ų | 105 | 111.6 Ų | 111.6 | 56% | 0.561 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 5.3 | 175.2 | -73.8 | -23.1 | 0 | 0 | 0 | 114 | T112 T114 N118 | T112-N116 PolarHBondContact O-ND2 3.14Å; T114-N116 VanDerWaalsContact C-N 3.28Å; T114-N116 PolarHBondContact O-N 2.92Å; N116-N118 VanDerWaalsContact C-N 3.27Å; N116-N118 PolarHBondContact O-N 3.05Å |
| 117 | K | 37.1 | Very low | 34.4 | Very low | 164 Ų | 164 | 117.5 Ų | 117.5 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -6.7 | 177.3 | -76.4 | -173.5 | 175.1 | -176.9 | 0 | 114.8 | ||
| 118 | N | 37.7 | Very low | 34.8 | Very low | 164 Ų | 164 | 118.2 Ų | 118.2 | 88% | 0.877 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 15.2 | 179.5 | -71.2 | -8.5 | 0 | 0 | 0 | 113.4 | N116 | N116-N118 VanDerWaalsContact C-N 3.27Å; N116-N118 PolarHBondContact O-N 3.05Å |
| 119 | L | 33.1 | Very low | 35.5 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 60% | 0.597 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -96.9 | 119.7 | 162.8 | -79.8 | 156.6 | 0 | 0 | 0 | 106.3 | V121 | L119-V121 HydrophobicContact CB-CG2 3.91Å; L119-V121 PolarHBondContact O-N 3.12Å |
| 120 | D | 31 | Very low | 36.2 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 88% | 0.882 | 65% | 0.652 | S | S | * | * | trans | -60.3 | 64 | 169.5 | -109.3 | -22 | 0 | 0 | 0 | 110.4 | V122 | D120-V122 VanDerWaalsContact C-N 3.26Å; D120-V122 PolarHBondContact O-N 3.07Å | ||
| 121 | V | 31.7 | Very low | 36.9 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 71% | 0.709 | 66% | 0.655 | S | S | * | * | trans | -81.8 | 85.5 | 171.2 | -174.7 | 0 | 0 | 0 | 0 | 105.3 | L119 P123 | L119-V121 HydrophobicContact CB-CG2 3.91Å; L119-V121 PolarHBondContact O-N 3.12Å; V121-P123 VanDerWaalsContact O-CD 3.25Å; V121-P123 WeakPolarHBondContact O-CD 3.48Å | ||
| 122 | V | 31.6 | Very low | 37.2 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | trans | -49.9 | 114.7 | 169.4 | 178 | 0 | 0 | 0 | 0 | 107.6 | D120 Y124 | D120-V122 VanDerWaalsContact C-N 3.26Å; D120-V122 PolarHBondContact O-N 3.07Å; V122-Y124 PolarHBondContact O-N 2.94Å | ||
| 123 | P | 32.7 | Very low | 37.7 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | trans | -66.9 | 111.5 | 175 | 26.6 | -30.3 | 0 | 0 | 0 | 107.2 | V121 S125 | V121-P123 VanDerWaalsContact O-CD 3.25Å; V121-P123 WeakPolarHBondContact O-CD 3.48Å; P123-S125 PolarHBondContact O-N 2.63Å | ||
| 124 | Y | 33.7 | Very low | 38.2 | Very low | 156 Ų | 156 | 129 Ų | 129 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | trans | -74.4 | 81.3 | 175 | -165.2 | -91.7 | 0 | 0 | 0 | 108.9 | V122 | V122-Y124 PolarHBondContact O-N 2.94Š| ||
| 125 | S | 30.6 | Very low | 38.2 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 79% | 0.79 | 68% | 0.683 | S | S | * | * | trans | -98.1 | 95.5 | 162.6 | 60.5 | 0 | 0 | 0 | 0 | 107.3 | P123 | P123-S125 PolarHBondContact O-N 2.63Š| ||
| 126 | G | 33.2 | Very low | 38.8 | Very low | 31 Ų | 31 | 125.7 Ų | 125.7 | 32% | 0.32 | 67% | 0.667 | S | S | . | * | trans | -154.6 | 93.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D128 | G126-D128 PolarHBondContact O-N 3.33Š| ||
| 127 | N | 37.2 | Very low | 39.3 | Very low | 179 Ų | 179 | 126.1 Ų | 126.1 | 96% | 0.957 | 67% | 0.666 | S | S | * | * | trans | -69.4 | 36.8 | 165.2 | -76 | -27.1 | 0 | 0 | 0 | 112 | P129 | N127-P129 VanDerWaalsContact O-CD 3.27Å; N127-P129 WeakPolarHBondContact O-CD 3.44Å | ||
| 128 | D | 41.7 | Very low | 39.9 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 48% | 0.481 | 67% | 0.666 | S | S | . | * | trans | -111.2 | 98.6 | -169.3 | -139.4 | -10.4 | 0 | 0 | 0 | 110.1 | G126 E130 | G126-D128 PolarHBondContact O-N 3.33Å; D128-E130 PolarHBondContact O-N 3.32Å | ||
| 129 | P | 46.5 | Very low | 40.4 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -10.9 | -172.5 | 25.1 | -31.9 | 0 | 0 | 0 | 114.1 | N127 | N127-P129 VanDerWaalsContact O-CD 3.27Å; N127-P129 WeakPolarHBondContact O-CD 3.44Å |
| 130 | E | 49.8 | Very low | 41 | Very low | 170 Ų | 170 | 120.5 Ų | 120.5 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -17.9 | -173.1 | -68.7 | -162.1 | 144.5 | 0 | 0 | 115.5 | D128 | D128-E130 PolarHBondContact O-N 3.32Š|
| 131 | K | 47.1 | Very low | 41.9 | Very low | 149 Ų | 149 | 116.7 Ų | 116.7 | 65% | 0.648 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -90.2 | 1.1 | 176.8 | -72.5 | -177.8 | -180 | 171.9 | 0 | 114.7 | K133 | K131-K133 PolarHBondContact O-N 3.16Š|
| 132 | K | 41.2 | Very low | 42.6 | Very low | 139 Ų | 139 | 116.9 Ų | 116.9 | 60% | 0.604 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -77.2 | -11.3 | -178.7 | -82.8 | -180 | 176.2 | 173.9 | 0 | 115.2 | ||
| 133 | K | 46.9 | Very low | 43.1 | Very low | 181 Ų | 181 | 117 Ų | 117 | 79% | 0.787 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -94.5 | -14.9 | -171.8 | -72.7 | -177.3 | 178.9 | 175.6 | 0 | 115.8 | K131 | K131-K133 PolarHBondContact O-N 3.16Š|
| 134 | T | 46.3 | Very low | 43.7 | Very low | 105 Ų | 105 | 118.5 Ų | 118.5 | 64% | 0.644 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -22.7 | -172 | 46.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 135 | L | 36.8 | Very low | 44.1 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 63% | 0.634 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.4 | -29.2 | 176.1 | -115.7 | 78.1 | 0 | 0 | 0 | 115.9 | Q137 | L135-Q137 VanDerWaalsContact C-N 3.32Å; L135-Q137 PolarHBondContact O-N 3.12Å |
| 136 | P | 50 | Low | 44.6 | Very low | 60 Ų | 60 | 120.2 Ų | 120.2 | 39% | 0.39 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.3 | -29.8 | 178.7 | -22.2 | 33.6 | 0 | 0 | 0 | 113.6 | M140 | P136-M140 VanDerWaalsContact O-CB 3.3Å; P136-M140 WeakPolarHBondContact O-CB 3.33Å; P136-M140 WeakPolarHBondContact O-CG 3.22Å; P136-M140 PolarHBondContact O-N 2.87Å; P136-M140 VanDerWaalsContact O-N 3.08Å |
| 137 | Q | 48.6 | Very low | 44.9 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 53% | 0.533 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -76.1 | -45.2 | -173.1 | -135.3 | 77.9 | 0.4 | 0 | 0 | 112.3 | L135 I139 M140 D141 | L135-Q137 VanDerWaalsContact C-N 3.32Å; L135-Q137 PolarHBondContact O-N 3.12Å; Q137-I139 VanDerWaalsContact C-N 3.33Å; Q137-I139 PolarHBondContact O-N 3.1Å; Q137-M140 CarbonylContact O-C 3.47Å; Q137-M140 WeakPolarHBondContact O-CA 3.35Å; Q137-M140 WeakPolarHBondContact O-CB 3.48Å; Q137-M140 PolarHBondContact O-N 3.42Å; Q137-M140 VanDerWaalsContact O-N 3.12Å; Q137-D141 PolarHBondContact O-N 2.94Å |
| 138 | K | 51 | Low | 45.3 | Very low | 164 Ų | 164 | 120.1 Ų | 120.1 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -35.1 | 177.4 | -96.6 | -178.5 | 174.2 | 179.7 | 0 | 113.2 | D141 I142 | K138-D141 PolarHBondContact O-N 3.44Å; K138-I142 WeakPolarHBondContact O-CD1 3.29Å; K138-I142 VanDerWaalsContact O-CG1 3.28Å; K138-I142 WeakPolarHBondContact O-CG1 3.28Å; K138-I142 PolarHBondContact O-N 3.33Å |
| 139 | I | 47.7 | Very low | 45.7 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 54% | 0.544 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72 | -37.1 | 174.4 | -62.7 | 174.1 | 0 | 0 | 0 | 110.3 | Q137 D141 I142 V143 | Q137-I139 VanDerWaalsContact C-N 3.33Å; Q137-I139 PolarHBondContact O-N 3.1Å; I139-D141 VanDerWaalsContact C-N 3.35Å; I139-I142 PolarHBondContact O-N 3.07Å; I139-V143 WeakPolarHBondContact O-CB 3.49Å; I139-V143 VanDerWaalsContact O-CG2 3.22Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 2.83Å |
| 140 | M | 45.4 | Very low | 46.2 | Very low | 53 Ų | 53 | 126.5 Ų | 126.5 | 26% | 0.261 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.7 | -36 | 173 | -75.2 | -103.6 | -71.9 | 0 | 0 | 113 | P136 Q137 V143 K144 K324 | P136-M140 VanDerWaalsContact O-CB 3.3Å; P136-M140 WeakPolarHBondContact O-CB 3.33Å; P136-M140 WeakPolarHBondContact O-CG 3.22Å; P136-M140 PolarHBondContact O-N 2.87Å; P136-M140 VanDerWaalsContact O-N 3.08Å; Q137-M140 CarbonylContact O-C 3.47Å; Q137-M140 WeakPolarHBondContact O-CA 3.35Å; Q137-M140 WeakPolarHBondContact O-CB 3.48Å; Q137-M140 PolarHBondContact O-N 3.42Å; Q137-M140 VanDerWaalsContact O-N 3.12Å; M140-V143 PolarHBondContact O-N 3.15Å; M140-K144 WeakPolarHBondContact O-CB 3.41Å; M140-K144 VanDerWaalsContact O-CG 3.31Å; M140-K144 WeakPolarHBondContact O-CG 3.42Å; M140-K144 PolarHBondContact O-N 2.85Å; M140-K324 HydrophobicContact SD-CD 4.48Å; M140-K324 WeakPolarHBondContact SD-CE 3.22Å; M140-K324 PolarHBondContact SD-NZ 2.67Å; M140-K324 VanDerWaalsContact SD-NZ 3.36Å |
| 141 | D | 49.3 | Very low | 46.6 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.4 | -30 | 179.4 | -65 | -26.1 | 0 | 0 | 0 | 112 | Q137 K138 I139 K144 Q145 | Q137-D141 PolarHBondContact O-N 2.94Å; K138-D141 PolarHBondContact O-N 3.44Å; I139-D141 VanDerWaalsContact C-N 3.35Å; D141-K144 PolarHBondContact O-N 3.26Å; D141-Q145 PolarHBondContact O-N 2.79Å |
| 142 | I | 47.7 | Very low | 47 | Very low | 122 Ų | 122 | 119 Ų | 119 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.6 | -33.7 | 170.5 | -66.4 | 165.4 | 0 | 0 | 0 | 111.3 | K138 I139 | K138-I142 WeakPolarHBondContact O-CD1 3.29Å; K138-I142 VanDerWaalsContact O-CG1 3.28Å; K138-I142 WeakPolarHBondContact O-CG1 3.28Å; K138-I142 PolarHBondContact O-N 3.33Å; I139-I142 PolarHBondContact O-N 3.07Å |
| 143 | V | 42.5 | Very low | 48 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -78.4 | -21.3 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 112.3 | I139 M140 | I139-V143 WeakPolarHBondContact O-CB 3.49Å; I139-V143 VanDerWaalsContact O-CG2 3.22Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 2.83Å; M140-V143 PolarHBondContact O-N 3.15Å |
| 144 | K | 44.8 | Very low | 49.2 | Very low | 135 Ų | 135 | 114.5 Ų | 114.5 | 59% | 0.587 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -6.3 | 172.9 | -82.1 | 178.1 | 176.9 | -178.4 | 0 | 114.2 | M140 D141 E146 | M140-K144 WeakPolarHBondContact O-CB 3.41Å; M140-K144 VanDerWaalsContact O-CG 3.31Å; M140-K144 WeakPolarHBondContact O-CG 3.42Å; M140-K144 PolarHBondContact O-N 2.85Å; D141-K144 PolarHBondContact O-N 3.26Å; K144-E146 WeakPolarHBondContact O-CG 3.4Å; K144-E146 PolarHBondContact O-N 3.36Å |
| 145 | Q | 41.8 | Very low | 50.3 | Low | 163 Ų | 163 | 113 Ų | 113 | 76% | 0.762 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -69.3 | 92.5 | 164.2 | -79.7 | -172.7 | -10.7 | 0 | 0 | 108.4 | D141 M147 | D141-Q145 PolarHBondContact O-N 2.79Å; Q145-M147 PolarHBondContact O-N 3Å |
| 146 | E | 41.4 | Very low | 52 | Low | 142 Ų | 142 | 110.2 Ų | 110.2 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -51 | 121.8 | -171.8 | -60.4 | -169.4 | 139.3 | 0 | 0 | 112.1 | K144 | K144-E146 WeakPolarHBondContact O-CG 3.4Å; K144-E146 PolarHBondContact O-N 3.36Å |
| 147 | M | 40.1 | Very low | 53.6 | Low | 127 Ų | 127 | 113.4 Ų | 113.4 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -60 | 127.2 | 144.7 | -75.6 | -151.4 | 175.5 | 0 | 0 | 106.4 | Q145 K149 | Q145-M147 PolarHBondContact O-N 3Å; M147-K149 PolarHBondContact O-N 3.12Å; M147-K149 VanDerWaalsContact O-N 3.12Å |
| 148 | P | 44 | Very low | 55.4 | Low | 81 Ų | 81 | 109 Ų | 109 | 53% | 0.526 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 126.2 | -178.1 | 17.6 | -28 | 0 | 0 | 0 | 108.4 | K150 T151 | P148-K150 PolarHBondContact O-N 2.77Å; P148-T151 WeakPolarHBondContact O-CB 3.49Å; P148-T151 PolarHBondContact O-N 2.83Å |
| 149 | K | 51.7 | Low | 57 | Low | 148 Ų | 148 | 101.6 Ų | 101.6 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -45 | -35.4 | -173.2 | -70.2 | 177 | -179.9 | 173.3 | 0 | 113.3 | M147 T151 L152 E153 | M147-K149 PolarHBondContact O-N 3.12Å; M147-K149 VanDerWaalsContact O-N 3.12Å; K149-T151 VanDerWaalsContact C-N 3.28Å; K149-T151 PolarHBondContact O-N 3.29Å; K149-L152 PolarHBondContact O-N 3.29Å; K149-L152 VanDerWaalsContact O-N 3.13Å; K149-E153 PolarHBondContact O-N 3.49Å; K149-E153 VanDerWaalsContact O-N 3.17Å |
| 150 | K | 56.1 | Low | 58.9 | Low | 174 Ų | 174 | 102.1 Ų | 102.1 | 76% | 0.757 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.1 | -34.6 | 174.8 | -67.1 | -174.6 | 177.4 | -178.6 | 0 | 114.4 | P148 K154 | P148-K150 PolarHBondContact O-N 2.77Å; K150-K154 WeakPolarHBondContact O-CB 3.4Å; K150-K154 PolarHBondContact O-N 3.38Å |
| 151 | T | 57.8 | Low | 61.1 | Low | 60 Ų | 60 | 105.9 Ų | 105.9 | 37% | 0.368 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -77.1 | -30.9 | 179.8 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | P148 K149 K155 | P148-T151 WeakPolarHBondContact O-CB 3.49Å; P148-T151 PolarHBondContact O-N 2.83Å; K149-T151 VanDerWaalsContact C-N 3.28Å; K149-T151 PolarHBondContact O-N 3.29Å; T151-K155 WeakPolarHBondContact O-CG 3.39Å; T151-K155 PolarHBondContact O-N 3.26Å |
| 152 | L | 55.8 | Low | 63.1 | Low | 101 Ų | 101 | 101.8 Ų | 101.8 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.2 | -47.3 | 178 | -161.2 | 77.8 | 0 | 0 | 0 | 110.7 | K149 K154 K155 D156 | K149-L152 PolarHBondContact O-N 3.29Å; K149-L152 VanDerWaalsContact O-N 3.13Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.06Å; L152-K155 PolarHBondContact O-N 3.45Å; L152-K155 VanDerWaalsContact O-N 3.12Å; L152-D156 PolarHBondContact O-N 3.08Å; L152-D156 VanDerWaalsContact O-N 3.1Å |
| 153 | E | 62 | Low | 65 | Low | 123 Ų | 123 | 96.8 Ų | 96.8 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -57.3 | -42.7 | 176.8 | -70.5 | 173 | -179.4 | 0 | 0 | 111.9 | K149 K155 D156 L157 | K149-E153 PolarHBondContact O-N 3.49Å; K149-E153 VanDerWaalsContact O-N 3.17Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 3.29Å; E153-D156 PolarHBondContact O-N 2.86Å; E153-L157 WeakPolarHBondContact O-CG 3.47Å; E153-L157 PolarHBondContact O-N 3.46Å |
| 154 | K | 71.9 | Confident | 67.3 | Low | 104 Ų | 104 | 92.7 Ų | 92.7 | 45% | 0.452 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 177.9 | -169.5 | 176.7 | 178.8 | -172 | 0 | 112.7 | K150 L152 L158 D201 | K150-K154 WeakPolarHBondContact O-CB 3.4Å; K150-K154 PolarHBondContact O-N 3.38Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.06Å; K154-L158 PolarHBondContact O-N 2.85Å; K154-L158 VanDerWaalsContact O-N 3.16Å; K154-D201 WeakPolarHBondContact CE-OD1 3.46Å; K154-D201 WeakPolarHBondContact CE-OD2 3.28Å; K154-D201 IonicContact NZ-OD1 2.67Å; K154-D201 PolarHBondContact NZ-OD1 3.48Å; K154-D201 IonicContact NZ-OD2 3.15Å; K154-D201 PolarHBondContact NZ-OD2 2.98Å; K154-D201 VanDerWaalsContact NZ-OD2 3.15Å |
| 155 | K | 69.8 | Low | 69.6 | Low | 73 Ų | 73 | 87.1 Ų | 87.1 | 32% | 0.317 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.2 | -37.9 | 178 | -74.6 | -179.5 | -179.5 | -179.4 | 0 | 112.2 | T151 L152 E153 L158 Y159 | T151-K155 WeakPolarHBondContact O-CG 3.39Å; T151-K155 PolarHBondContact O-N 3.26Å; L152-K155 PolarHBondContact O-N 3.45Å; L152-K155 VanDerWaalsContact O-N 3.12Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 3.29Å; K155-L158 VanDerWaalsContact O-CB 3.3Å; K155-L158 WeakPolarHBondContact O-CB 3.36Å; K155-L158 PolarHBondContact O-N 3.42Å; K155-Y159 PolarHBondContact O-N 3.3Å |
| 156 | D | 73.5 | Confident | 71.9 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 177.5 | -73.6 | -26.3 | 0 | 0 | 0 | 111.3 | L152 E153 L158 Y159 E160 K217 | L152-D156 PolarHBondContact O-N 3.08Å; L152-D156 VanDerWaalsContact O-N 3.1Å; E153-D156 PolarHBondContact O-N 2.86Å; D156-L158 VanDerWaalsContact C-N 3.27Å; D156-L158 PolarHBondContact O-N 2.99Å; D156-Y159 PolarHBondContact O-N 3.2Å; D156-Y159 VanDerWaalsContact O-N 3.12Å; D156-E160 WeakPolarHBondContact O-CG 3.42Å; D156-E160 PolarHBondContact O-N 3.13Å; D156-K217 IonicContact OD1-NZ 2.63Å; D156-K217 PolarHBondContact OD1-NZ 3.48Å |
| 157 | L | 83.1 | Confident | 74.2 | Confident | 127 Ų | 127 | 78.7 Ų | 78.7 | 67% | 0.665 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.2 | -38.9 | 172.6 | -71.7 | 168.4 | 0 | 0 | 0 | 112.7 | E153 K161 | E153-L157 WeakPolarHBondContact O-CG 3.47Å; E153-L157 PolarHBondContact O-N 3.46Å; L157-K161 WeakPolarHBondContact O-CB 3.45Å; L157-K161 PolarHBondContact O-N 3.05Å |
| 158 | L | 85.6 | Confident | 76.6 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 175.1 | -114.6 | 161.3 | 0 | 0 | 0 | 112.1 | K154 K155 D156 F162 F196 D201 M221 | K154-L158 PolarHBondContact O-N 2.85Å; K154-L158 VanDerWaalsContact O-N 3.16Å; K155-L158 VanDerWaalsContact O-CB 3.3Å; K155-L158 WeakPolarHBondContact O-CB 3.36Å; K155-L158 PolarHBondContact O-N 3.42Å; D156-L158 VanDerWaalsContact C-N 3.27Å; D156-L158 PolarHBondContact O-N 2.99Å; L158-F162 PolarHBondContact O-N 3.29Å; L158-F196 HydrophobicContact CD2-CD2 4.45Å; L158-F196 HydrophobicContact CD2-CE1 4.42Å; L158-F196 HydrophobicContact CD2-CE2 3.45Å; L158-F196 VanDerWaalsContact CD2-CE2 3.45Å; L158-F196 HydrophobicContact CD2-CZ 3.42Å; L158-F196 VanDerWaalsContact CD2-CZ 3.42Å; L158-F196 WeakPolarHBondContact O-CE2 3.31Å; L158-F196 WeakPolarHBondContact O-CZ 3.3Å; L158-D201 HydrophobicContact CD1-CB 3.63Å; L158-M221 HydrophobicContact CD2-CE 3.99Å |
| 159 | Y | 86 | Confident | 79 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.8 | -42.2 | -180 | -179.2 | -101.4 | 0 | 0 | 0 | 112 | K155 D156 K161 F162 C163 K217 R220 M221 | K155-Y159 PolarHBondContact O-N 3.3Å; D156-Y159 PolarHBondContact O-N 3.2Å; D156-Y159 VanDerWaalsContact O-N 3.12Å; Y159-K161 VanDerWaalsContact C-N 3.32Å; Y159-K161 PolarHBondContact O-N 3.44Å; Y159-F162 WeakPolarHBondContact O-CB 3.39Å; Y159-F162 PolarHBondContact O-N 3.2Å; Y159-F162 VanDerWaalsContact O-N 3.13Å; Y159-C163 WeakPolarHBondContact CE1-SG 3.3Å; Y159-C163 PolarHBondContact O-N 3.07Å; Y159-K217 HydrophobicContact CD1-CD 3.75Å; Y159-K217 HydrophobicContact CD1-CG 3.97Å; Y159-K217 HydrophobicContact CD2-CB 3.47Å; Y159-K217 VanDerWaalsContact CD2-CB 3.47Å; Y159-K217 HydrophobicContact CD2-CD 4.15Å; Y159-K217 HydrophobicContact CD2-CG 3.75Å; Y159-K217 HydrophobicContact CE1-CD 4.26Å; Y159-K217 HydrophobicContact CE1-CG 4.07Å; Y159-K217 HydrophobicContact CE2-CB 3.77Å; Y159-K217 HydrophobicContact CE2-CG 3.86Å; Y159-K217 HydrophobicContact CG-CB 3.91Å; Y159-K217 HydrophobicContact CG-CD 3.68Å; Y159-K217 HydrophobicContact CG-CG 3.8Å; Y159-R220 HydrophobicContact CE2-CB 4.4Å; Y159-R220 HydrophobicContact CE2-CG 4.45Å; Y159-R220 WeakPolarHBondContact OH-CD 3.44Å; Y159-M221 HydrophobicContact CD2-CG 3.93Å; Y159-M221 HydrophobicContact CD2-SD 3.97Å; Y159-M221 HydrophobicContact CE2-CG 4.49Å |
| 160 | E | 87.1 | Confident | 80.7 | Confident | 118 Ų | 118 | 67.6 Ų | 67.6 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 175.8 | -69 | -52.4 | 139.8 | 0 | 0 | 111.6 | D156 F162 C163 G164 | D156-E160 WeakPolarHBondContact O-CG 3.42Å; D156-E160 PolarHBondContact O-N 3.13Å; E160-F162 VanDerWaalsContact C-N 3.32Å; E160-F162 PolarHBondContact O-N 3.1Å; E160-C163 WeakPolarHBondContact O-CB 3.35Å; E160-C163 PolarHBondContact O-N 3.04Å; E160-G164 PolarHBondContact O-N 3.19Å; E160-G164 VanDerWaalsContact O-N 3.08Å |
| 161 | K | 90.3 | Very high | 82.3 | Confident | 131 Ų | 131 | 66 Ų | 66 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 173.8 | -175.4 | 172.6 | -179.4 | 179.9 | 0 | 112 | L157 Y159 L165 F196 | L157-K161 WeakPolarHBondContact O-CB 3.45Å; L157-K161 PolarHBondContact O-N 3.05Å; Y159-K161 VanDerWaalsContact C-N 3.32Å; Y159-K161 PolarHBondContact O-N 3.44Å; K161-L165 HydrophobicContact CG-CD1 4.28Å; K161-L165 WeakPolarHBondContact O-CG 3.47Å; K161-L165 PolarHBondContact O-N 2.7Å; K161-F196 HydrophobicContact CB-CD2 4.45Å; K161-F196 HydrophobicContact CB-CE2 3.96Å; K161-F196 HydrophobicContact CD-CD2 3.73Å; K161-F196 HydrophobicContact CD-CE2 3.95Å; K161-F196 HydrophobicContact CG-CD2 3.83Å; K161-F196 HydrophobicContact CG-CE2 3.85Å |
| 162 | F | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 174 | 177.8 | -99.5 | 0 | 0 | 0 | 111.9 | L158 Y159 E160 L165 S166 F196 R220 M221 K223 Y227 | L158-F162 PolarHBondContact O-N 3.29Å; Y159-F162 WeakPolarHBondContact O-CB 3.39Å; Y159-F162 PolarHBondContact O-N 3.2Å; Y159-F162 VanDerWaalsContact O-N 3.13Å; E160-F162 VanDerWaalsContact C-N 3.32Å; E160-F162 PolarHBondContact O-N 3.1Å; F162-L165 PolarHBondContact O-N 3.39Å; F162-S166 VanDerWaalsContact O-CB 3.26Å; F162-S166 WeakPolarHBondContact O-CB 3.33Å; F162-S166 PolarHBondContact O-N 3.35Å; F162-S166 PolarHBondContact O-OG 3.36Å; F162-F196 HydrophobicContact CB-CE1 3.89Å; F162-F196 HydrophobicContact CB-CE2 4.45Å; F162-F196 HydrophobicContact CB-CZ 3.62Å; F162-F196 HydrophobicContact CD2-CD1 4.37Å; F162-F196 AromaticContact CD2-CE1 3.69Å; F162-F196 HydrophobicContact CD2-CE1 3.69Å; F162-F196 HydrophobicContact CD2-CZ 4.32Å; F162-F196 HydrophobicContact CG-CE1 4.25Å; F162-F196 HydrophobicContact CG-CZ 4.45Å; F162-R220 HydrophobicContact CE1-CG 4.07Å; F162-M221 HydrophobicContact CB-CE 4.21Å; F162-M221 HydrophobicContact CB-CG 4.09Å; F162-M221 HydrophobicContact CB-SD 4.48Å; F162-M221 HydrophobicContact CD1-CG 3.73Å; F162-M221 HydrophobicContact CD2-CG 4.27Å; F162-M221 HydrophobicContact CE1-CG 4.24Å; F162-M221 HydrophobicContact CG-CG 3.75Å; F162-K223 HydrophobicContact CZ-CB 4.28Å; F162-Y227 HydrophobicContact CE2-CD2 4.33Å; F162-Y227 HydrophobicContact CE2-CE2 4.47Å; F162-Y227 HydrophobicContact CZ-CD2 4.17Å; F162-Y227 AromaticContact CZ-CE2 3.87Å; F162-Y227 HydrophobicContact CZ-CE2 3.87Å |
| 163 | C | 88.6 | Confident | 85.4 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.1 | -53.5 | 179.3 | -82.8 | 0 | 0 | 0 | 0 | 111.3 | Y159 E160 L165 S166 E167 | Y159-C163 WeakPolarHBondContact CE1-SG 3.3Å; Y159-C163 PolarHBondContact O-N 3.07Å; E160-C163 WeakPolarHBondContact O-CB 3.35Å; E160-C163 PolarHBondContact O-N 3.04Å; C163-L165 VanDerWaalsContact C-N 3.3Å; C163-L165 PolarHBondContact O-N 2.71Å; C163-S166 WeakPolarHBondContact CA-OG 3.03Å; C163-S166 PolarHBondContact O-N 2.93Å; C163-S166 VanDerWaalsContact O-N 3.12Å; C163-S166 PolarHBondContact O-OG 2.87Å; C163-E167 WeakPolarHBondContact O-CG 3.4Å; C163-E167 PolarHBondContact O-N 3.05Å |
| 164 | G | 89.7 | Confident | 86.1 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E160 Q168 | E160-G164 PolarHBondContact O-N 3.19Å; E160-G164 VanDerWaalsContact O-N 3.08Å; G164-Q168 WeakPolarHBondContact O-CG 3.48Å; G164-Q168 PolarHBondContact O-NE2 3.4Å |
| 165 | L | 93.2 | Very high | 86.4 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.4 | -37.7 | 175.7 | -69 | 172.2 | 0 | 0 | 0 | 112.6 | K161 F162 C163 Q168 A169 N192 L193 F196 | K161-L165 HydrophobicContact CG-CD1 4.28Å; K161-L165 WeakPolarHBondContact O-CG 3.47Å; K161-L165 PolarHBondContact O-N 2.7Å; F162-L165 PolarHBondContact O-N 3.39Å; C163-L165 VanDerWaalsContact C-N 3.3Å; C163-L165 PolarHBondContact O-N 2.71Å; L165-Q168 PolarHBondContact O-N 2.93Å; L165-A169 PolarHBondContact O-N 3.2Å; L165-N192 HydrophobicContact CD2-CB 3.79Å; L165-L193 HydrophobicContact CB-CD2 3.51Å; L165-L193 HydrophobicContact CB-CG 3.89Å; L165-L193 HydrophobicContact CD1-CD2 4.07Å; L165-L193 HydrophobicContact CD1-CG 4.41Å; L165-L193 HydrophobicContact CG-CD2 4.37Å; L165-F196 HydrophobicContact CD1-CB 3.94Å; L165-F196 HydrophobicContact CD1-CD2 4.3Å; L165-F196 HydrophobicContact CD1-CG 4.1Å |
| 166 | S | 91.1 | Very high | 86.6 | Confident | 10 Ų | 10 | 64 Ų | 64 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.3 | -35.2 | -179.7 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | F162 C163 A169 N170 | F162-S166 VanDerWaalsContact O-CB 3.26Å; F162-S166 WeakPolarHBondContact O-CB 3.33Å; F162-S166 PolarHBondContact O-N 3.35Å; F162-S166 PolarHBondContact O-OG 3.36Å; C163-S166 WeakPolarHBondContact CA-OG 3.03Å; C163-S166 PolarHBondContact O-N 2.93Å; C163-S166 VanDerWaalsContact O-N 3.12Å; C163-S166 PolarHBondContact O-OG 2.87Å; S166-A169 PolarHBondContact O-N 3.03Å; S166-N170 PolarHBondContact O-N 3.17Å; S166-N170 PolarHBondContact O-ND2 2.69Å |
| 167 | E | 89.4 | Confident | 86.6 | Confident | 119 Ų | 119 | 61.9 Ų | 61.9 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 174.3 | -73.8 | 175.8 | -173.4 | 0 | 0 | 111.4 | C163 N170 K171 | C163-E167 WeakPolarHBondContact O-CG 3.4Å; C163-E167 PolarHBondContact O-N 3.05Å; E167-N170 PolarHBondContact O-N 3.48Å; E167-K171 WeakPolarHBondContact O-CG 3.34Å; E167-K171 PolarHBondContact O-N 3.13Å |
| 168 | Q | 91.3 | Very high | 86.4 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -44 | 173.6 | -67.8 | 176.3 | 47.1 | 0 | 0 | 111.2 | G164 L165 N170 K171 F172 V189 | G164-Q168 WeakPolarHBondContact O-CG 3.48Å; G164-Q168 PolarHBondContact O-NE2 3.4Å; L165-Q168 PolarHBondContact O-N 2.93Å; Q168-N170 PolarHBondContact O-N 3.31Å; Q168-K171 WeakPolarHBondContact O-CB 3.34Å; Q168-K171 PolarHBondContact O-N 2.94Å; Q168-F172 WeakPolarHBondContact O-CD2 3.49Å; Q168-V189 HydrophobicContact CB-CG1 3.95Å; Q168-V189 HydrophobicContact CB-CG2 4.11Å |
| 169 | A | 92.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L165 S166 K171 F172 I173 V189 L193 Y227 L231 | L165-A169 PolarHBondContact O-N 3.2Å; S166-A169 PolarHBondContact O-N 3.03Å; A169-K171 VanDerWaalsContact C-N 3.29Å; A169-K171 PolarHBondContact O-N 3.39Å; A169-F172 PolarHBondContact O-N 3.38Å; A169-I173 HydrophobicContact CB-CD1 4.48Å; A169-I173 WeakPolarHBondContact O-CG1 3.38Å; A169-I173 PolarHBondContact O-N 2.81Å; A169-V189 HydrophobicContact CB-CG1 4.49Å; A169-L193 HydrophobicContact CB-CD1 3.84Å; A169-Y227 HydrophobicContact CB-CD1 4.16Å; A169-Y227 HydrophobicContact CB-CG 4.05Å; A169-L231 HydrophobicContact CB-CD1 3.86Å; A169-L231 HydrophobicContact CB-CD2 4.46Å; A169-L231 HydrophobicContact CB-CG 4.44Å |
| 170 | N | 88.4 | Confident | 86.2 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 179.4 | -74.1 | -24.5 | 0 | 0 | 0 | 112.1 | S166 E167 Q168 F172 I173 D174 Y227 Y347 | S166-N170 PolarHBondContact O-N 3.17Å; S166-N170 PolarHBondContact O-ND2 2.69Å; E167-N170 PolarHBondContact O-N 3.48Å; Q168-N170 PolarHBondContact O-N 3.31Å; N170-F172 VanDerWaalsContact C-N 3.28Å; N170-F172 PolarHBondContact O-N 2.98Å; N170-I173 PolarHBondContact O-N 2.95Å; N170-D174 WeakPolarHBondContact O-CB 3.45Å; N170-D174 PolarHBondContact O-N 3.49Å; N170-Y227 VanDerWaalsContact OD1-CE1 3.28Å; N170-Y227 WeakPolarHBondContact OD1-CE1 3.48Å; N170-Y227 PolarHBondContact OD1-OH 3.3Å; N170-Y227 VanDerWaalsContact OD1-OH 3.1Å; N170-Y347 PolarHBondContact OD1-OH 3.46Å |
| 171 | K | 88.8 | Confident | 86.1 | Confident | 140 Ų | 140 | 63.9 Ų | 63.9 | 61% | 0.609 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56.6 | -41.4 | 176.3 | -70.5 | 172.7 | -175.7 | 177.9 | 0 | 112.6 | E167 Q168 A169 | E167-K171 WeakPolarHBondContact O-CG 3.34Å; E167-K171 PolarHBondContact O-N 3.13Å; Q168-K171 WeakPolarHBondContact O-CB 3.34Å; Q168-K171 PolarHBondContact O-N 2.94Å; A169-K171 VanDerWaalsContact C-N 3.29Å; A169-K171 PolarHBondContact O-N 3.39Å |
| 172 | F | 91 | Very high | 86.1 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 16% | 0.158 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -75.9 | -40.4 | 176.7 | -73.1 | -73 | 0 | 0 | 0 | 112.1 | Q168 A169 N170 D174 K175 C176 E182 D185 C186 V189 L231 | Q168-F172 WeakPolarHBondContact O-CD2 3.49Å; A169-F172 PolarHBondContact O-N 3.38Å; N170-F172 VanDerWaalsContact C-N 3.28Å; N170-F172 PolarHBondContact O-N 2.98Å; F172-D174 VanDerWaalsContact C-N 3.29Å; F172-D174 PolarHBondContact O-N 3.42Å; F172-K175 PolarHBondContact O-N 3.24Å; F172-C176 VanDerWaalsContact O-CA 3.26Å; F172-C176 WeakPolarHBondContact O-CA 3.47Å; F172-C176 PolarHBondContact O-N 2.98Å; F172-E182 HydrophobicContact CE1-CB 4.36Å; F172-E182 WeakPolarHBondContact CE1-O 3.38Å; F172-D185 HydrophobicContact CE1-CB 4.35Å; F172-D185 HydrophobicContact CZ-CB 3.71Å; F172-C186 HydrophobicContact CD1-CB 3.94Å; F172-C186 HydrophobicContact CE1-CB 4.07Å; F172-C186 HydrophobicContact CG-CB 4.24Å; F172-C186 HydrophobicContact CZ-CB 4.49Å; F172-V189 HydrophobicContact CD2-CG2 4.45Å; F172-V189 HydrophobicContact CE2-CG2 3.91Å; F172-L231 HydrophobicContact CB-CD2 3.62Å; F172-L231 HydrophobicContact CG-CD2 4.37Å |
| 173 | I | 87.8 | Confident | 86 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.087 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | -179.8 | -73.6 | 167.5 | 0 | 0 | 0 | 111.9 | A169 N170 Y227 L230 L231 M234 F350 | A169-I173 HydrophobicContact CB-CD1 4.48Å; A169-I173 WeakPolarHBondContact O-CG1 3.38Å; A169-I173 PolarHBondContact O-N 2.81Å; N170-I173 PolarHBondContact O-N 2.95Å; I173-Y227 HydrophobicContact CD1-CD1 3.52Å; I173-Y227 HydrophobicContact CD1-CE1 3.87Å; I173-L230 HydrophobicContact CD1-CB 4.24Å; I173-L230 HydrophobicContact CD1-CD1 4.01Å; I173-L230 HydrophobicContact CG1-CB 4.4Å; I173-L231 HydrophobicContact CG1-CD2 4.25Å; I173-M234 HydrophobicContact CB-CE 4.3Å; I173-M234 HydrophobicContact CG1-CE 3.98Å; I173-M234 HydrophobicContact CG1-SD 4.31Å; I173-M234 HydrophobicContact CG2-CE 4.34Å; I173-F350 HydrophobicContact CG2-CE1 3.63Å; I173-F350 HydrophobicContact CG2-CZ 4.28Å |
| 174 | D | 77.8 | Confident | 86.1 | Confident | 130 Ų | 130 | 67.7 Ų | 67.7 | 70% | 0.695 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -75.6 | -33.4 | -178.2 | -70.7 | -22.7 | 0 | 0 | 0 | 113 | N170 F172 | N170-D174 WeakPolarHBondContact O-CB 3.45Å; N170-D174 PolarHBondContact O-N 3.49Å; F172-D174 VanDerWaalsContact C-N 3.29Å; F172-D174 PolarHBondContact O-N 3.42Å |
| 175 | K | 77.1 | Confident | 86.2 | Confident | 180 Ų | 180 | 70.8 Ų | 70.8 | 78% | 0.783 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -100.1 | -25.1 | -173.9 | -67.7 | -176.8 | 179.2 | -179.4 | 0 | 114 | F172 | F172-K175 PolarHBondContact O-N 3.24Å |
| 176 | C | 75.3 | Confident | 86.2 | Confident | 55 Ų | 55 | 70 Ų | 70 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | trans | 58.7 | 137.3 | -162.7 | -151 | 0 | 0 | 0 | 0 | 111.6 | F172 S178 | F172-C176 VanDerWaalsContact O-CA 3.26Å; F172-C176 WeakPolarHBondContact O-CA 3.47Å; F172-C176 PolarHBondContact O-N 2.98Å; C176-S178 PolarHBondContact O-N 3.32Å | ||
| 177 | P | 72.4 | Confident | 86.3 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 12% | 0.117 | 37% | 0.374 | C | S | . | . | trans | -61.8 | 134.6 | 171.5 | 26.3 | -33.5 | 0 | 0 | 0 | 110.3 | E182 D183 M234 | P177-E182 HydrophobicContact CB-CB 3.86Å; P177-D183 WeakPolarHBondContact CB-OD1 3.45Å; P177-D183 VanDerWaalsContact CG-OD1 3.3Å; P177-D183 WeakPolarHBondContact CG-OD1 3.38Å; P177-M234 HydrophobicContact CG-CB 4.26Å | ||
| 178 | S | 79.7 | Confident | 86.6 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | trans | -116.5 | -9.5 | -175.3 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | C176 E182 | C176-S178 PolarHBondContact O-N 3.32Å; S178-E182 WeakPolarHBondContact CA-OE2 3.28Å; S178-E182 WeakPolarHBondContact CB-OE2 3.33Å; S178-E182 PolarHBondContact N-OE2 2.77Å; S178-E182 PolarHBondContact OG-OE2 3.4Å | ||
| 179 | S | 83.9 | Confident | 86.8 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -136.9 | 160.2 | 179.1 | 71.6 | 0 | 0 | 0 | 0 | 112.1 | A181 E182 D183 | S179-A181 PolarHBondContact O-N 3.12Å; S179-E182 PolarHBondContact N-OE2 3.43Å; S179-E182 PolarHBondContact O-N 3.11Å; S179-E182 VanDerWaalsContact O-N 3.12Å; S179-E182 WeakPolarHBondContact OG-CG 3.45Å; S179-E182 PolarHBondContact OG-N 2.91Å; S179-D183 PolarHBondContact O-N 3.23Å |
| 180 | V | 83.8 | Confident | 86.9 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.1 | -31.4 | 176.3 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | K184 | V180-K184 WeakPolarHBondContact O-CG 3.25Å; V180-K184 PolarHBondContact O-N 3.47Å; V180-K184 VanDerWaalsContact O-N 3.15Å |
| 181 | A | 85.3 | Confident | 87.2 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 50% | 0.504 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.2 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | S179 D183 K184 D185 | S179-A181 PolarHBondContact O-N 3.12Å; A181-D183 VanDerWaalsContact C-N 3.28Å; A181-D183 PolarHBondContact O-N 3.37Å; A181-K184 WeakPolarHBondContact O-CB 3.41Å; A181-K184 PolarHBondContact O-N 3.35Å; A181-K184 VanDerWaalsContact O-N 3.15Å; A181-D185 PolarHBondContact O-N 2.88Å |
| 182 | E | 89.1 | Confident | 87.5 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 34% | 0.341 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 175.4 | -71.1 | 178.1 | 158.5 | 0 | 0 | 112.2 | F172 P177 S178 S179 D185 C186 | F172-E182 HydrophobicContact CE1-CB 4.36Å; F172-E182 WeakPolarHBondContact CE1-O 3.38Å; P177-E182 HydrophobicContact CB-CB 3.86Å; S178-E182 WeakPolarHBondContact CA-OE2 3.28Å; S178-E182 WeakPolarHBondContact CB-OE2 3.33Å; S178-E182 PolarHBondContact N-OE2 2.77Å; S178-E182 PolarHBondContact OG-OE2 3.4Å; S179-E182 PolarHBondContact N-OE2 3.43Å; S179-E182 PolarHBondContact O-N 3.11Å; S179-E182 VanDerWaalsContact O-N 3.12Å; S179-E182 WeakPolarHBondContact OG-CG 3.45Å; S179-E182 PolarHBondContact OG-N 2.91Å; E182-D185 PolarHBondContact O-N 2.81Å; E182-C186 WeakPolarHBondContact O-CB 2.97Å; E182-C186 PolarHBondContact O-N 3.21Å |
| 183 | D | 88.9 | Confident | 87.7 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.07 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 172.3 | -84.6 | -28.6 | 0 | 0 | 0 | 111.8 | P177 S179 A181 C186 I187 V235 T237 | P177-D183 WeakPolarHBondContact CB-OD1 3.45Å; P177-D183 VanDerWaalsContact CG-OD1 3.3Å; P177-D183 WeakPolarHBondContact CG-OD1 3.38Å; S179-D183 PolarHBondContact O-N 3.23Å; A181-D183 VanDerWaalsContact C-N 3.28Å; A181-D183 PolarHBondContact O-N 3.37Å; D183-C186 WeakPolarHBondContact O-CB 2.96Å; D183-C186 PolarHBondContact O-N 3.49Å; D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.44Å; D183-I187 PolarHBondContact O-N 3.25Å; D183-V235 HydrophobicContact CB-CG1 4.07Å; D183-V235 WeakPolarHBondContact OD1-CA 3.29Å; D183-T237 HydrophobicContact CB-CG2 4.28Å |
| 184 | K | 91.3 | Very high | 88 | Confident | 141 Ų | 141 | 64.4 Ų | 64.4 | 61% | 0.613 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 176.3 | -72.7 | 177.7 | -179 | -179.3 | 0 | 111.7 | V180 A181 I187 A188 | V180-K184 WeakPolarHBondContact O-CG 3.25Å; V180-K184 PolarHBondContact O-N 3.47Å; V180-K184 VanDerWaalsContact O-N 3.15Å; A181-K184 WeakPolarHBondContact O-CB 3.41Å; A181-K184 PolarHBondContact O-N 3.35Å; A181-K184 VanDerWaalsContact O-N 3.15Å; K184-I187 PolarHBondContact O-N 3.26Å; K184-A188 PolarHBondContact O-N 3.45Å |
| 185 | D | 92.4 | Very high | 88.7 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.4 | -68.3 | -18.2 | 0 | 0 | 0 | 111.4 | F172 A181 E182 I187 A188 V189 | F172-D185 HydrophobicContact CE1-CB 4.35Å; F172-D185 HydrophobicContact CZ-CB 3.71Å; A181-D185 PolarHBondContact O-N 2.88Å; E182-D185 PolarHBondContact O-N 2.81Å; D185-I187 PolarHBondContact O-N 3.21Å; D185-A188 WeakPolarHBondContact O-CB 3.48Å; D185-A188 PolarHBondContact O-N 2.6Å; D185-A188 VanDerWaalsContact O-N 3.13Å; D185-V189 WeakPolarHBondContact O-CG2 3.42Å; D185-V189 PolarHBondContact O-N 2.92Å |
| 186 | C | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 174.8 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | F172 E182 D183 A188 V189 A190 V235 | F172-C186 HydrophobicContact CD1-CB 3.94Å; F172-C186 HydrophobicContact CE1-CB 4.07Å; F172-C186 HydrophobicContact CG-CB 4.24Å; F172-C186 HydrophobicContact CZ-CB 4.49Å; E182-C186 WeakPolarHBondContact O-CB 2.97Å; E182-C186 PolarHBondContact O-N 3.21Å; D183-C186 WeakPolarHBondContact O-CB 2.96Å; D183-C186 PolarHBondContact O-N 3.49Å; C186-A188 VanDerWaalsContact C-N 3.32Å; C186-A188 PolarHBondContact O-N 3.35Å; C186-V189 PolarHBondContact O-N 3.25Å; C186-A190 WeakPolarHBondContact O-CB 3.36Å; C186-A190 PolarHBondContact O-N 2.9Å; C186-V235 HydrophobicContact CB-CG2 3.88Å |
| 187 | I | 93.6 | Very high | 90.2 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 173.7 | -66.2 | 168.3 | 0 | 0 | 0 | 110.7 | D183 K184 D185 V189 A190 K191 V235 T237 L243 | D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.44Å; D183-I187 PolarHBondContact O-N 3.25Å; K184-I187 PolarHBondContact O-N 3.26Å; D185-I187 PolarHBondContact O-N 3.21Å; I187-V189 PolarHBondContact O-N 3.41Å; I187-A190 PolarHBondContact O-N 3.17Å; I187-K191 HydrophobicContact CG2-CD 3.96Å; I187-K191 HydrophobicContact CG2-CG 4.23Å; I187-K191 WeakPolarHBondContact O-CB 3.43Å; I187-K191 WeakPolarHBondContact O-CG 3.41Å; I187-K191 PolarHBondContact O-N 3.41Å; I187-V235 HydrophobicContact CD1-CG1 3.77Å; I187-V235 HydrophobicContact CG1-CB 4.4Å; I187-V235 HydrophobicContact CG1-CG1 3.78Å; I187-V235 HydrophobicContact CG1-CG2 3.98Å; I187-T237 HydrophobicContact CD1-CG2 4.19Å; I187-L243 HydrophobicContact CD1-CD1 4.39Å |
| 188 | A | 94.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 37% | 0.372 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K184 D185 C186 K191 N192 | K184-A188 PolarHBondContact O-N 3.45Å; D185-A188 WeakPolarHBondContact O-CB 3.48Å; D185-A188 PolarHBondContact O-N 2.6Å; D185-A188 VanDerWaalsContact O-N 3.13Å; C186-A188 VanDerWaalsContact C-N 3.32Å; C186-A188 PolarHBondContact O-N 3.35Å; A188-K191 PolarHBondContact O-N 3.16Å; A188-N192 PolarHBondContact O-N 3.41Å; A188-N192 PolarHBondContact O-ND2 3.07Å |
| 189 | V | 94.9 | Very high | 91.2 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 174 | 176 | 0 | 0 | 0 | 0 | 110.9 | Q168 A169 F172 D185 C186 I187 K191 N192 L193 L231 | Q168-V189 HydrophobicContact CB-CG1 3.95Å; Q168-V189 HydrophobicContact CB-CG2 4.11Å; A169-V189 HydrophobicContact CB-CG1 4.49Å; F172-V189 HydrophobicContact CD2-CG2 4.45Å; F172-V189 HydrophobicContact CE2-CG2 3.91Å; D185-V189 WeakPolarHBondContact O-CG2 3.42Å; D185-V189 PolarHBondContact O-N 2.92Å; C186-V189 PolarHBondContact O-N 3.25Å; I187-V189 PolarHBondContact O-N 3.41Å; V189-K191 PolarHBondContact O-N 3.03Å; V189-N192 PolarHBondContact O-N 3.08Å; V189-L193 HydrophobicContact CG1-CD1 4.21Å; V189-L193 PolarHBondContact O-N 3.1Å; V189-L231 HydrophobicContact CB-CD1 4.39Å; V189-L231 HydrophobicContact CG1-CD1 3.83Å |
| 190 | A | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | C186 I187 N192 L193 E194 L231 L232 | C186-A190 WeakPolarHBondContact O-CB 3.36Å; C186-A190 PolarHBondContact O-N 2.9Å; I187-A190 PolarHBondContact O-N 3.17Å; A190-N192 PolarHBondContact O-N 2.68Å; A190-L193 PolarHBondContact O-N 3.39Å; A190-E194 VanDerWaalsContact O-CB 3.29Å; A190-E194 WeakPolarHBondContact O-CB 3.42Å; A190-E194 PolarHBondContact O-N 3.11Å; A190-L231 HydrophobicContact CB-CB 3.85Å; A190-L231 HydrophobicContact CB-CD1 4.13Å; A190-L232 HydrophobicContact CB-CD2 3.68Å; A190-L232 HydrophobicContact CB-CG 4Å |
| 191 | K | 95.1 | Very high | 89.8 | Confident | 116 Ų | 116 | 54.8 Ų | 54.8 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 176.8 | -75.8 | 179.9 | 177.6 | 179.1 | 0 | 112.7 | I187 A188 V189 E194 K195 | I187-K191 HydrophobicContact CG2-CD 3.96Å; I187-K191 HydrophobicContact CG2-CG 4.23Å; I187-K191 WeakPolarHBondContact O-CB 3.43Å; I187-K191 WeakPolarHBondContact O-CG 3.41Å; I187-K191 PolarHBondContact O-N 3.41Å; A188-K191 PolarHBondContact O-N 3.16Å; V189-K191 PolarHBondContact O-N 3.03Å; K191-E194 PolarHBondContact O-N 3.47Å; K191-K195 WeakPolarHBondContact O-CG 3.44Å; K191-K195 PolarHBondContact O-N 2.84Å |
| 192 | N | 94.8 | Very high | 89.4 | Confident | 76 Ų | 76 | 52.2 Ų | 52.2 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 176.2 | -74.2 | -22.9 | 0 | 0 | 0 | 111.8 | L165 A188 V189 A190 F196 | L165-N192 HydrophobicContact CD2-CB 3.79Å; A188-N192 PolarHBondContact O-N 3.41Å; A188-N192 PolarHBondContact O-ND2 3.07Å; V189-N192 PolarHBondContact O-N 3.08Å; A190-N192 PolarHBondContact O-N 2.68Å; N192-F196 WeakPolarHBondContact O-CB 3.42Å; N192-F196 PolarHBondContact O-N 3.28Å; N192-F196 VanDerWaalsContact O-N 3.11Å |
| 193 | L | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 171.7 | -84.4 | 168.1 | 0 | 0 | 0 | 112.2 | L165 A169 V189 A190 F196 V197 V228 L231 | L165-L193 HydrophobicContact CB-CD2 3.51Å; L165-L193 HydrophobicContact CB-CG 3.89Å; L165-L193 HydrophobicContact CD1-CD2 4.07Å; L165-L193 HydrophobicContact CD1-CG 4.41Å; L165-L193 HydrophobicContact CG-CD2 4.37Å; A169-L193 HydrophobicContact CB-CD1 3.84Å; V189-L193 HydrophobicContact CG1-CD1 4.21Å; V189-L193 PolarHBondContact O-N 3.1Å; A190-L193 PolarHBondContact O-N 3.39Å; L193-F196 WeakPolarHBondContact O-CA 3.47Å; L193-F196 VanDerWaalsContact O-CB 3.31Å; L193-F196 WeakPolarHBondContact O-CB 3.43Å; L193-F196 PolarHBondContact O-N 3.37Å; L193-F196 VanDerWaalsContact O-N 3.15Å; L193-V197 WeakPolarHBondContact O-CG1 3.34Å; L193-V197 WeakPolarHBondContact O-CG2 3.38Å; L193-V197 PolarHBondContact O-N 3.36Å; L193-V228 HydrophobicContact CB-CG2 3.63Å; L193-L231 HydrophobicContact CD1-CD1 3.87Å |
| 194 | E | 94.6 | Very high | 88.5 | Confident | 56 Ų | 56 | 55 Ų | 55 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -53.2 | 175.7 | 168.4 | 162.4 | -139.6 | 0 | 0 | 111.2 | A190 K191 F196 V197 V198 V228 Y250 | A190-E194 VanDerWaalsContact O-CB 3.29Å; A190-E194 WeakPolarHBondContact O-CB 3.42Å; A190-E194 PolarHBondContact O-N 3.11Å; K191-E194 PolarHBondContact O-N 3.47Å; E194-F196 PolarHBondContact O-N 3.47Å; E194-V197 WeakPolarHBondContact O-CG2 3.5Å; E194-V197 PolarHBondContact O-N 2.92Å; E194-V197 VanDerWaalsContact O-N 3.16Å; E194-V198 HydrophobicContact CG-CG2 4.29Å; E194-V198 WeakPolarHBondContact O-CB 3.26Å; E194-V198 VanDerWaalsContact O-CG2 3.32Å; E194-V198 WeakPolarHBondContact O-CG2 3.23Å; E194-V198 PolarHBondContact O-N 3.32Å; E194-V228 HydrophobicContact CB-CG1 4.21Å; E194-V228 HydrophobicContact CB-CG2 4.42Å; E194-Y250 VanDerWaalsContact CD-OH 3.3Å; E194-Y250 HydrophobicContact CG-CE2 4.41Å; E194-Y250 VanDerWaalsContact CG-OH 3.26Å; E194-Y250 WeakPolarHBondContact CG-OH 3.37Å; E194-Y250 VanDerWaalsContact OE1-CE2 3.31Å; E194-Y250 WeakPolarHBondContact OE1-CE2 3.44Å; E194-Y250 VanDerWaalsContact OE1-CZ 3.32Å; E194-Y250 PolarHBondContact OE1-OH 2.96Å |
| 195 | K | 93.2 | Very high | 88.1 | Confident | 158 Ų | 158 | 48.8 Ų | 48.8 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -55.2 | -36.2 | 174.9 | -73.2 | 175.4 | -178.2 | 179.7 | 0 | 112 | K191 G199 | K191-K195 WeakPolarHBondContact O-CG 3.44Å; K191-K195 PolarHBondContact O-N 2.84Å; K195-G199 PolarHBondContact O-N 3.33Å |
| 196 | F | 92.1 | Very high | 87.8 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 5% | 0.053 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -49.3 | 177 | 177 | -92 | 0 | 0 | 0 | 112.7 | L158 K161 F162 L165 N192 L193 E194 G199 Y202 M221 | L158-F196 HydrophobicContact CD2-CD2 4.45Å; L158-F196 HydrophobicContact CD2-CE1 4.42Å; L158-F196 HydrophobicContact CD2-CE2 3.45Å; L158-F196 VanDerWaalsContact CD2-CE2 3.45Å; L158-F196 HydrophobicContact CD2-CZ 3.42Å; L158-F196 VanDerWaalsContact CD2-CZ 3.42Å; L158-F196 WeakPolarHBondContact O-CE2 3.31Å; L158-F196 WeakPolarHBondContact O-CZ 3.3Å; K161-F196 HydrophobicContact CB-CD2 4.45Å; K161-F196 HydrophobicContact CB-CE2 3.96Å; K161-F196 HydrophobicContact CD-CD2 3.73Å; K161-F196 HydrophobicContact CD-CE2 3.95Å; K161-F196 HydrophobicContact CG-CD2 3.83Å; K161-F196 HydrophobicContact CG-CE2 3.85Å; F162-F196 HydrophobicContact CB-CE1 3.89Å; F162-F196 HydrophobicContact CB-CE2 4.45Å; F162-F196 HydrophobicContact CB-CZ 3.62Å; F162-F196 HydrophobicContact CD2-CD1 4.37Å; F162-F196 AromaticContact CD2-CE1 3.69Å; F162-F196 HydrophobicContact CD2-CE1 3.69Å; F162-F196 HydrophobicContact CD2-CZ 4.32Å; F162-F196 HydrophobicContact CG-CE1 4.25Å; F162-F196 HydrophobicContact CG-CZ 4.45Å; L165-F196 HydrophobicContact CD1-CB 3.94Å; L165-F196 HydrophobicContact CD1-CD2 4.3Å; L165-F196 HydrophobicContact CD1-CG 4.1Å; N192-F196 WeakPolarHBondContact O-CB 3.42Å; N192-F196 PolarHBondContact O-N 3.28Å; N192-F196 VanDerWaalsContact O-N 3.11Å; L193-F196 WeakPolarHBondContact O-CA 3.47Å; L193-F196 VanDerWaalsContact O-CB 3.31Å; L193-F196 WeakPolarHBondContact O-CB 3.43Å; L193-F196 PolarHBondContact O-N 3.37Å; L193-F196 VanDerWaalsContact O-N 3.15Å; E194-F196 PolarHBondContact O-N 3.47Å; F196-G199 PolarHBondContact O-N 3.25Å; F196-Y202 HydrophobicContact CD1-CD2 4.07Å; F196-Y202 HydrophobicContact CD1-CE2 4.39Å; F196-Y202 AromaticContact CE1-CD2 3.51Å; F196-Y202 HydrophobicContact CE1-CD2 3.51Å; F196-Y202 AromaticContact CE1-CE2 3.81Å; F196-Y202 HydrophobicContact CE1-CE2 3.81Å; F196-Y202 HydrophobicContact CZ-CD2 4.23Å; F196-Y202 WeakPolarHBondContact O-CB 3.42Å; F196-M221 HydrophobicContact CE1-CE 3.86Å; F196-M221 HydrophobicContact CZ-CE 3.58Å |
| 197 | V | 91.2 | Very high | 87.3 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.1 | -25.7 | -175.8 | -59.7 | 0 | 0 | 0 | 0 | 113.6 | L193 E194 G199 Y202 V228 Y250 | L193-V197 WeakPolarHBondContact O-CG1 3.34Å; L193-V197 WeakPolarHBondContact O-CG2 3.38Å; L193-V197 PolarHBondContact O-N 3.36Å; E194-V197 WeakPolarHBondContact O-CG2 3.5Å; E194-V197 PolarHBondContact O-N 2.92Å; E194-V197 VanDerWaalsContact O-N 3.16Å; V197-G199 VanDerWaalsContact C-N 3.31Å; V197-Y202 HydrophobicContact CB-CD1 4.03Å; V197-Y202 HydrophobicContact CB-CE1 3.91Å; V197-Y202 HydrophobicContact CB-CG 4.44Å; V197-Y202 HydrophobicContact CG1-CD1 4.5Å; V197-Y202 HydrophobicContact CG1-CE1 4.09Å; V197-Y202 HydrophobicContact CG1-CE2 4.13Å; V197-Y202 WeakPolarHBondContact O-CD1 3.13Å; V197-V228 HydrophobicContact CG2-CG2 4.12Å; V197-Y250 HydrophobicContact CG2-CD1 4.46Å; V197-Y250 HydrophobicContact CG2-CE1 3.9Å |
| 198 | V | 88.3 | Confident | 86.8 | Confident | 85 Ų | 85 | 54.4 Ų | 54.4 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -79 | -18.2 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | E194 Y250 | E194-V198 HydrophobicContact CG-CG2 4.29Å; E194-V198 WeakPolarHBondContact O-CB 3.26Å; E194-V198 VanDerWaalsContact O-CG2 3.32Å; E194-V198 WeakPolarHBondContact O-CG2 3.23Å; E194-V198 PolarHBondContact O-N 3.32Å; V198-Y250 HydrophobicContact CG2-CE1 4.49Å; V198-Y250 WeakPolarHBondContact CG2-OH 3.47Å |
| 199 | G | 84.8 | Confident | 86.5 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -55.9 | 140.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K195 F196 V197 D201 Y202 S203 | K195-G199 PolarHBondContact O-N 3.33Å; F196-G199 PolarHBondContact O-N 3.25Å; V197-G199 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 2.82Å; G199-Y202 PolarHBondContact O-N 3.17Å; G199-S203 PolarHBondContact O-N 3.23Å |
| 200 | A | 63.5 | Low | 86.3 | Confident | 82 Ų | 82 | 61.5 Ų | 61.5 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -53.8 | -39.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y202 S203 S204 | A200-Y202 VanDerWaalsContact C-N 3.34Å; A200-Y202 PolarHBondContact O-N 3.46Å; A200-S203 PolarHBondContact O-N 3.17Å; A200-S204 WeakPolarHBondContact O-CB 3.34Å; A200-S204 PolarHBondContact O-N 3.19Å |
| 201 | D | 74.3 | Confident | 85.9 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -39 | -179.8 | -60 | -38.1 | 0 | 0 | 0 | 111.9 | K154 L158 G199 S204 L205 | K154-D201 WeakPolarHBondContact CE-OD1 3.46Å; K154-D201 WeakPolarHBondContact CE-OD2 3.28Å; K154-D201 IonicContact NZ-OD1 2.67Å; K154-D201 PolarHBondContact NZ-OD1 3.48Å; K154-D201 IonicContact NZ-OD2 3.15Å; K154-D201 PolarHBondContact NZ-OD2 2.98Å; K154-D201 VanDerWaalsContact NZ-OD2 3.15Å; L158-D201 HydrophobicContact CD1-CB 3.63Å; G199-D201 PolarHBondContact O-N 2.82Å; D201-S204 PolarHBondContact O-N 3.36Å; D201-S204 PolarHBondContact O-OG 3.3Å; D201-L205 WeakPolarHBondContact O-CG 3.5Å; D201-L205 PolarHBondContact O-N 3.18Å |
| 202 | Y | 78 | Confident | 85.5 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 3% | 0.027 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 178.9 | -176.6 | -88.5 | 0 | 0 | 0 | 112.2 | F196 V197 G199 A200 S204 L205 Y206 M221 | F196-Y202 HydrophobicContact CD1-CD2 4.07Å; F196-Y202 HydrophobicContact CD1-CE2 4.39Å; F196-Y202 AromaticContact CE1-CD2 3.51Å; F196-Y202 HydrophobicContact CE1-CD2 3.51Å; F196-Y202 AromaticContact CE1-CE2 3.81Å; F196-Y202 HydrophobicContact CE1-CE2 3.81Å; F196-Y202 HydrophobicContact CZ-CD2 4.23Å; F196-Y202 WeakPolarHBondContact O-CB 3.42Å; V197-Y202 HydrophobicContact CB-CD1 4.03Å; V197-Y202 HydrophobicContact CB-CE1 3.91Å; V197-Y202 HydrophobicContact CB-CG 4.44Å; V197-Y202 HydrophobicContact CG1-CD1 4.5Å; V197-Y202 HydrophobicContact CG1-CE1 4.09Å; V197-Y202 HydrophobicContact CG1-CE2 4.13Å; V197-Y202 WeakPolarHBondContact O-CD1 3.13Å; G199-Y202 PolarHBondContact O-N 3.17Å; A200-Y202 VanDerWaalsContact C-N 3.34Å; A200-Y202 PolarHBondContact O-N 3.46Å; Y202-S204 VanDerWaalsContact C-N 3.28Å; Y202-S204 PolarHBondContact O-N 3.33Å; Y202-L205 HydrophobicContact CD2-CD1 4.12Å; Y202-L205 WeakPolarHBondContact O-CB 3.49Å; Y202-L205 PolarHBondContact O-N 2.89Å; Y202-Y206 HydrophobicContact CD1-CE2 4.15Å; Y202-Y206 AromaticContact CE1-CE2 3.7Å; Y202-Y206 HydrophobicContact CE1-CE2 3.7Å; Y202-Y206 HydrophobicContact CE2-CE2 4.36Å; Y202-Y206 AromaticContact CZ-CE2 3.81Å; Y202-Y206 PolarHBondContact OH-OH 3.32Å; Y202-M221 HydrophobicContact CD2-CE 3.78Å; Y202-M221 HydrophobicContact CE2-CB 4.29Å; Y202-M221 HydrophobicContact CE2-CE 3.94Å; Y202-M221 PolarHBondContact OH-O 3.3Å |
| 203 | S | 75.6 | Confident | 85.1 | Confident | 74 Ų | 74 | 64 Ų | 64 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 177.3 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | G199 A200 L205 | G199-S203 PolarHBondContact O-N 3.23Å; A200-S203 PolarHBondContact O-N 3.17Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.35Å |
| 204 | S | 82.6 | Confident | 84.8 | Confident | 72 Ų | 72 | 64 Ų | 64 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.6 | -22.7 | 178.6 | 78.8 | 0 | 0 | 0 | 0 | 114 | A200 D201 Y202 Y206 A207 | A200-S204 WeakPolarHBondContact O-CB 3.34Å; A200-S204 PolarHBondContact O-N 3.19Å; D201-S204 PolarHBondContact O-N 3.36Å; D201-S204 PolarHBondContact O-OG 3.3Å; Y202-S204 VanDerWaalsContact C-N 3.28Å; Y202-S204 PolarHBondContact O-N 3.33Å; S204-Y206 PolarHBondContact O-N 3.28Å; S204-Y206 VanDerWaalsContact O-N 3.08Å; S204-A207 PolarHBondContact O-N 3.2Å |
| 205 | L | 83 | Confident | 84.4 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.052 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.2 | -178.2 | -69.2 | 174.5 | 0 | 0 | 0 | 113.3 | D201 Y202 S203 K209 M221 | D201-L205 WeakPolarHBondContact O-CG 3.5Å; D201-L205 PolarHBondContact O-N 3.18Å; Y202-L205 HydrophobicContact CD2-CD1 4.12Å; Y202-L205 WeakPolarHBondContact O-CB 3.49Å; Y202-L205 PolarHBondContact O-N 2.89Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.35Å; L205-K209 WeakPolarHBondContact O-CD 3.46Å; L205-K209 WeakPolarHBondContact O-CE 3.43Å; L205-K209 PolarHBondContact O-NZ 3.43Å; L205-M221 HydrophobicContact CD1-CE 3.43Å; L205-M221 VanDerWaalsContact CD1-CE 3.43Å; L205-M221 HydrophobicContact CD1-SD 4.06Å |
| 206 | Y | 86.8 | Confident | 84 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 6% | 0.055 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -4.9 | -169.7 | -51.7 | -59.5 | 0 | 0 | 0 | 113.8 | Y202 S204 N208 K209 L214 E218 M221 L222 R260 F261 | Y202-Y206 HydrophobicContact CD1-CE2 4.15Å; Y202-Y206 AromaticContact CE1-CE2 3.7Å; Y202-Y206 HydrophobicContact CE1-CE2 3.7Å; Y202-Y206 HydrophobicContact CE2-CE2 4.36Å; Y202-Y206 AromaticContact CZ-CE2 3.81Å; Y202-Y206 PolarHBondContact OH-OH 3.32Å; S204-Y206 PolarHBondContact O-N 3.28Å; S204-Y206 VanDerWaalsContact O-N 3.08Å; Y206-N208 PolarHBondContact O-N 3.39Å; Y206-K209 PolarHBondContact O-N 3.32Å; Y206-L214 HydrophobicContact CD1-CD2 4.01Å; Y206-E218 HydrophobicContact CE1-CB 4.43Å; Y206-M221 VanDerWaalsContact OH-C 3.22Å; Y206-M221 WeakPolarHBondContact OH-CB 3.48Å; Y206-L222 HydrophobicContact CD1-CD2 3.81Å; Y206-L222 HydrophobicContact CE1-CD2 3.41Å; Y206-L222 VanDerWaalsContact CE1-CD2 3.41Å; Y206-L222 HydrophobicContact CE1-CG 3.91Å; Y206-L222 HydrophobicContact CE2-CD2 4.22Å; Y206-L222 HydrophobicContact CG-CD2 4.36Å; Y206-L222 PolarHBondContact OH-N 2.94Å; Y206-R260 VanDerWaalsContact CB-NH2 3.32Å; Y206-F261 HydrophobicContact CD1-CE2 4.3Å; Y206-F261 HydrophobicContact CD1-CZ 4.13Å; Y206-F261 HydrophobicContact CG-CE2 4.48Å; Y206-F261 HydrophobicContact CG-CZ 4.34Å |
| 207 | A | 82.9 | Confident | 83.7 | Confident | 55 Ų | 55 | 62.5 Ų | 62.5 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 126.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S204 K209 | S204-A207 PolarHBondContact O-N 3.2Å; A207-K209 PolarHBondContact O-N 3.04Å; A207-K209 VanDerWaalsContact O-N 3.11Å |
| 208 | N | 83 | Confident | 83.6 | Confident | 170 Ų | 170 | 62.5 Ų | 62.5 | 91% | 0.909 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 14.7 | 176.4 | -53.8 | -30.8 | 0 | 0 | 0 | 116.7 | Y206 | Y206-N208 PolarHBondContact O-N 3.39Š|
| 209 | K | 88.7 | Confident | 83.6 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 24% | 0.243 | 34% | 0.335 | C | S | . | . | trans | -94.5 | 145.3 | 178.5 | -69.2 | -175.8 | -176.4 | 166.5 | 0 | 113.2 | L205 Y206 A207 E213 L214 E218 F261 | L205-K209 WeakPolarHBondContact O-CD 3.46Å; L205-K209 WeakPolarHBondContact O-CE 3.43Å; L205-K209 PolarHBondContact O-NZ 3.43Å; Y206-K209 PolarHBondContact O-N 3.32Å; A207-K209 PolarHBondContact O-N 3.04Å; A207-K209 VanDerWaalsContact O-N 3.11Å; K209-E213 WeakPolarHBondContact CA-OE2 3.22Å; K209-E213 HydrophobicContact CB-CB 4.37Å; K209-L214 HydrophobicContact CB-CD2 4.1Å; K209-L214 HydrophobicContact CD-CD2 3.79Å; K209-E218 IonicContact NZ-OE1 3.75Å; K209-E218 PolarHBondContact NZ-OE1 2.87Å; K209-E218 IonicContact NZ-OE2 3.99Å; K209-E218 PolarHBondContact NZ-OE2 2.65Å; K209-F261 WeakPolarHBondContact O-CE1 3.23Å | ||
| 210 | K | 89.8 | Confident | 83.7 | Confident | 148 Ų | 148 | 58.2 Ų | 58.2 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | trans | -83.1 | 162.8 | 163.6 | -66.4 | 179.4 | -177.8 | 172.7 | 0 | 111.1 | D212 E213 | K210-D212 PolarHBondContact O-N 3.35Å; K210-E213 HydrophobicContact CB-CG 4.24Å; K210-E213 PolarHBondContact N-OE2 3.15Å; K210-E213 WeakPolarHBondContact O-CB 3.41Å; K210-E213 PolarHBondContact O-N 3.48Å; K210-E213 VanDerWaalsContact O-N 3.1Å | ||
| 211 | V | 87.4 | Confident | 85 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -57.9 | -35.5 | -179.8 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | E213 L214 L219 F261 I263 R337 | V211-E213 VanDerWaalsContact C-N 3.32Å; V211-L214 PolarHBondContact O-N 3.38Å; V211-L219 HydrophobicContact CG2-CD2 4.48Å; V211-F261 HydrophobicContact CB-CB 4.1Å; V211-F261 HydrophobicContact CB-CD1 4.17Å; V211-F261 WeakPolarHBondContact CB-O 3.32Å; V211-F261 HydrophobicContact CG2-CB 4.22Å; V211-I263 HydrophobicContact CG2-CD1 3.92Å; V211-I263 HydrophobicContact CG2-CG1 3.88Å; V211-R337 PolarHBondContact O-NH2 3.08Å |
| 212 | D | 85.5 | Confident | 85.9 | Confident | 112 Ų | 112 | 51.4 Ų | 51.4 | 60% | 0.599 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -78.4 | -16.2 | -177.8 | -62.7 | -36 | 0 | 0 | 0 | 113.4 | K210 R337 R341 | K210-D212 PolarHBondContact O-N 3.35Å; D212-R337 VanDerWaalsContact C-NH2 3.34Å; D212-R337 VanDerWaalsContact CA-NH2 3.33Å; D212-R337 PolarHBondContact O-NH2 3.44Å; D212-R337 IonicContact OD1-NE 3.82Å; D212-R341 IonicContact OD1-NH2 3.08Å; D212-R341 PolarHBondContact OD1-NH2 2.83Å |
| 213 | E | 88.3 | Confident | 86.6 | Confident | 106 Ų | 106 | 51.3 Ų | 51.3 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -84.8 | -12.7 | 176.7 | -64.5 | 162.5 | -165.1 | 0 | 0 | 112.5 | K209 K210 V211 | K209-E213 WeakPolarHBondContact CA-OE2 3.22Å; K209-E213 HydrophobicContact CB-CB 4.37Å; K210-E213 HydrophobicContact CB-CG 4.24Å; K210-E213 PolarHBondContact N-OE2 3.15Å; K210-E213 WeakPolarHBondContact O-CB 3.41Å; K210-E213 PolarHBondContact O-N 3.48Å; K210-E213 VanDerWaalsContact O-N 3.1Å; V211-E213 VanDerWaalsContact C-N 3.32Å |
| 214 | L | 86.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -71.6 | 134.7 | 177.5 | -61.6 | 179.7 | 0 | 0 | 0 | 111.3 | Y206 K209 V211 E218 L219 L222 F261 R337 | Y206-L214 HydrophobicContact CD1-CD2 4.01Å; K209-L214 HydrophobicContact CB-CD2 4.1Å; K209-L214 HydrophobicContact CD-CD2 3.79Å; V211-L214 PolarHBondContact O-N 3.38Å; L214-E218 WeakPolarHBondContact CA-OE2 3.48Å; L214-E218 HydrophobicContact CB-CB 4.29Å; L214-E218 HydrophobicContact CD2-CB 4.28Å; L214-L219 HydrophobicContact CB-CD2 4.12Å; L214-L219 HydrophobicContact CB-CG 3.89Å; L214-L219 HydrophobicContact CD1-CD2 3.75Å; L214-L219 HydrophobicContact CD1-CG 4.34Å; L214-L222 HydrophobicContact CD1-CD1 4.05Å; L214-F261 HydrophobicContact CD1-CD1 4.08Å; L214-F261 HydrophobicContact CD1-CD2 4.44Å; L214-F261 HydrophobicContact CD1-CE1 3.79Å; L214-F261 HydrophobicContact CD1-CE2 4.2Å; L214-F261 HydrophobicContact CD1-CG 4.39Å; L214-F261 HydrophobicContact CD1-CZ 3.85Å; L214-F261 HydrophobicContact CD2-CE1 4.28Å; L214-F261 HydrophobicContact CD2-CZ 4.22Å; L214-F261 HydrophobicContact CG-CE1 4.22Å; L214-F261 HydrophobicContact CG-CZ 4.47Å; L214-R337 PolarHBondContact O-NH1 3.26Å; L214-R337 PolarHBondContact O-NH2 3.43Å |
| 215 | T | 85.9 | Confident | 88.1 | Confident | 69 Ų | 69 | 45.2 Ų | 45.2 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | trans | -68.6 | 162.2 | 169.2 | 70.2 | 0 | 0 | 0 | 0 | 110.9 | K217 E218 L219 | T215-K217 PolarHBondContact O-N 3.13Å; T215-E218 PolarHBondContact N-OE2 2.93Å; T215-E218 PolarHBondContact O-N 2.93Å; T215-E218 VanDerWaalsContact OG1-CG 3.28Å; T215-E218 WeakPolarHBondContact OG1-CG 3.46Å; T215-E218 PolarHBondContact OG1-N 3.1Å; T215-E218 VanDerWaalsContact OG1-N 3.1Å; T215-L219 PolarHBondContact O-N 3.35Å | ||
| 216 | L | 84.7 | Confident | 88.7 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.7 | -35.2 | 174.3 | -63.4 | 177.2 | 0 | 0 | 0 | 111.8 | R220 A336 R337 L340 | L216-R220 PolarHBondContact O-N 2.88Å; L216-R220 VanDerWaalsContact O-N 3.12Å; L216-A336 HydrophobicContact CD1-CB 4.01Å; L216-A336 HydrophobicContact CD2-CB 4.26Å; L216-R337 HydrophobicContact CD2-CB 4.12Å; L216-R337 HydrophobicContact CD2-CG 4.49Å; L216-L340 HydrophobicContact CB-CD1 3.95Å; L216-L340 HydrophobicContact CD2-CD1 3.76Å; L216-L340 HydrophobicContact CG-CD1 4.43Å; L216-L340 WeakPolarHBondContact O-CD1 3.39Å |
| 217 | K | 85.8 | Confident | 89.2 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 32% | 0.317 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -50.4 | 174.9 | -68.1 | -173.3 | 179.9 | -170.6 | 0 | 110.9 | D156 Y159 T215 L219 R220 M221 | D156-K217 IonicContact OD1-NZ 2.63Å; D156-K217 PolarHBondContact OD1-NZ 3.48Å; Y159-K217 HydrophobicContact CD1-CD 3.75Å; Y159-K217 HydrophobicContact CD1-CG 3.97Å; Y159-K217 HydrophobicContact CD2-CB 3.47Å; Y159-K217 VanDerWaalsContact CD2-CB 3.47Å; Y159-K217 HydrophobicContact CD2-CD 4.15Å; Y159-K217 HydrophobicContact CD2-CG 3.75Å; Y159-K217 HydrophobicContact CE1-CD 4.26Å; Y159-K217 HydrophobicContact CE1-CG 4.07Å; Y159-K217 HydrophobicContact CE2-CB 3.77Å; Y159-K217 HydrophobicContact CE2-CG 3.86Å; Y159-K217 HydrophobicContact CG-CB 3.91Å; Y159-K217 HydrophobicContact CG-CD 3.68Å; Y159-K217 HydrophobicContact CG-CG 3.8Å; T215-K217 PolarHBondContact O-N 3.13Å; K217-L219 PolarHBondContact O-N 3Å; K217-R220 PolarHBondContact O-N 3.47Å; K217-M221 VanDerWaalsContact O-CG 3.3Å; K217-M221 WeakPolarHBondContact O-CG 3.42Å; K217-M221 PolarHBondContact O-N 3.36Å |
| 218 | E | 89.4 | Confident | 89.8 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 178.2 | -70.7 | 168.4 | 172.7 | 0 | 0 | 112.2 | Y206 K209 L214 T215 R220 M221 L222 | Y206-E218 HydrophobicContact CE1-CB 4.43Å; K209-E218 IonicContact NZ-OE1 3.75Å; K209-E218 PolarHBondContact NZ-OE1 2.87Å; K209-E218 IonicContact NZ-OE2 3.99Å; K209-E218 PolarHBondContact NZ-OE2 2.65Å; L214-E218 WeakPolarHBondContact CA-OE2 3.48Å; L214-E218 HydrophobicContact CB-CB 4.29Å; L214-E218 HydrophobicContact CD2-CB 4.28Å; T215-E218 PolarHBondContact N-OE2 2.93Å; T215-E218 PolarHBondContact O-N 2.93Å; T215-E218 VanDerWaalsContact OG1-CG 3.28Å; T215-E218 WeakPolarHBondContact OG1-CG 3.46Å; T215-E218 PolarHBondContact OG1-N 3.1Å; T215-E218 VanDerWaalsContact OG1-N 3.1Å; E218-R220 VanDerWaalsContact C-N 3.34Å; E218-R220 PolarHBondContact O-N 3.31Å; E218-M221 PolarHBondContact O-N 2.95Å; E218-L222 PolarHBondContact O-N 3.15Å |
| 219 | L | 88.5 | Confident | 90.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 174.5 | -81.3 | 172.5 | 0 | 0 | 0 | 112.1 | V211 L214 T215 K217 M221 L222 I263 R337 L340 L344 | V211-L219 HydrophobicContact CG2-CD2 4.48Å; L214-L219 HydrophobicContact CB-CD2 4.12Å; L214-L219 HydrophobicContact CB-CG 3.89Å; L214-L219 HydrophobicContact CD1-CD2 3.75Å; L214-L219 HydrophobicContact CD1-CG 4.34Å; T215-L219 PolarHBondContact O-N 3.35Å; K217-L219 PolarHBondContact O-N 3Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-L222 HydrophobicContact CD2-CD1 4.15Å; L219-L222 WeakPolarHBondContact O-CB 3.28Å; L219-L222 PolarHBondContact O-N 2.91Å; L219-I263 HydrophobicContact CD2-CD1 4.39Å; L219-R337 HydrophobicContact CD1-CG 3.73Å; L219-L340 HydrophobicContact CB-CD1 4.17Å; L219-L344 HydrophobicContact CD2-CD1 4.32Å |
| 220 | R | 88.4 | Confident | 90.8 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.7 | -36.2 | 178.4 | 175.8 | 166.9 | -93.6 | 157.7 | -17.3 | 112 | Y159 F162 L216 K217 E218 L222 K223 L340 E343 | Y159-R220 HydrophobicContact CE2-CB 4.4Å; Y159-R220 HydrophobicContact CE2-CG 4.45Å; Y159-R220 WeakPolarHBondContact OH-CD 3.44Å; F162-R220 HydrophobicContact CE1-CG 4.07Å; L216-R220 PolarHBondContact O-N 2.88Å; L216-R220 VanDerWaalsContact O-N 3.12Å; K217-R220 PolarHBondContact O-N 3.47Å; E218-R220 VanDerWaalsContact C-N 3.34Å; E218-R220 PolarHBondContact O-N 3.31Å; R220-L222 PolarHBondContact O-N 3.1Å; R220-K223 VanDerWaalsContact O-CE 3.23Å; R220-K223 WeakPolarHBondContact O-CE 3.34Å; R220-K223 PolarHBondContact O-N 2.99Å; R220-L340 HydrophobicContact CB-CD2 4.2Å; R220-E343 IonicContact NE-OE2 2.93Å; R220-E343 IonicContact NH2-OE2 2.71Å |
| 221 | M | 90.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.5 | -22.4 | 178 | -72.7 | 179.1 | 67.5 | 0 | 0 | 113.3 | L158 Y159 F162 F196 Y202 L205 Y206 K217 E218 L219 K223 G224 | L158-M221 HydrophobicContact CD2-CE 3.99Å; Y159-M221 HydrophobicContact CD2-CG 3.93Å; Y159-M221 HydrophobicContact CD2-SD 3.97Å; Y159-M221 HydrophobicContact CE2-CG 4.49Å; F162-M221 HydrophobicContact CB-CE 4.21Å; F162-M221 HydrophobicContact CB-CG 4.09Å; F162-M221 HydrophobicContact CB-SD 4.48Å; F162-M221 HydrophobicContact CD1-CG 3.73Å; F162-M221 HydrophobicContact CD2-CG 4.27Å; F162-M221 HydrophobicContact CE1-CG 4.24Å; F162-M221 HydrophobicContact CG-CG 3.75Å; F196-M221 HydrophobicContact CE1-CE 3.86Å; F196-M221 HydrophobicContact CZ-CE 3.58Å; Y202-M221 HydrophobicContact CD2-CE 3.78Å; Y202-M221 HydrophobicContact CE2-CB 4.29Å; Y202-M221 HydrophobicContact CE2-CE 3.94Å; Y202-M221 PolarHBondContact OH-O 3.3Å; L205-M221 HydrophobicContact CD1-CE 3.43Å; L205-M221 VanDerWaalsContact CD1-CE 3.43Å; L205-M221 HydrophobicContact CD1-SD 4.06Å; Y206-M221 VanDerWaalsContact OH-C 3.22Å; Y206-M221 WeakPolarHBondContact OH-CB 3.48Å; K217-M221 VanDerWaalsContact O-CG 3.3Å; K217-M221 WeakPolarHBondContact O-CG 3.42Å; K217-M221 PolarHBondContact O-N 3.36Å; E218-M221 PolarHBondContact O-N 2.95Å; L219-M221 VanDerWaalsContact C-N 3.34Å; M221-K223 PolarHBondContact O-N 2.96Å; M221-G224 PolarHBondContact O-N 3.39Å |
| 222 | L | 92.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -24.5 | 176 | -72.8 | 172.5 | 0 | 0 | 0 | 113.6 | Y206 L214 E218 L219 R220 G224 Y254 F261 I263 L344 | Y206-L222 HydrophobicContact CD1-CD2 3.81Å; Y206-L222 HydrophobicContact CE1-CD2 3.41Å; Y206-L222 VanDerWaalsContact CE1-CD2 3.41Å; Y206-L222 HydrophobicContact CE1-CG 3.91Å; Y206-L222 HydrophobicContact CE2-CD2 4.22Å; Y206-L222 HydrophobicContact CG-CD2 4.36Å; Y206-L222 PolarHBondContact OH-N 2.94Å; L214-L222 HydrophobicContact CD1-CD1 4.05Å; E218-L222 PolarHBondContact O-N 3.15Å; L219-L222 HydrophobicContact CD2-CD1 4.15Å; L219-L222 WeakPolarHBondContact O-CB 3.28Å; L219-L222 PolarHBondContact O-N 2.91Å; R220-L222 PolarHBondContact O-N 3.1Å; L222-G224 PolarHBondContact O-N 3.44Å; L222-Y254 VanDerWaalsContact O-CD2 3.26Å; L222-Y254 WeakPolarHBondContact O-CD2 3.44Å; L222-Y254 WeakPolarHBondContact O-CE2 3.38Å; L222-F261 HydrophobicContact CD1-CD2 4.21Å; L222-F261 HydrophobicContact CD1-CE2 4.43Å; L222-F261 HydrophobicContact CD2-CD2 4.1Å; L222-F261 HydrophobicContact CD2-CE2 3.68Å; L222-I263 HydrophobicContact CD1-CD1 4.16Å; L222-L344 HydrophobicContact CB-CD2 3.89Å; L222-L344 HydrophobicContact CD1-CD1 4.02Å |
| 223 | K | 92.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 2% | 0.022 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13 | 175.5 | -63.7 | -176.4 | -69.3 | 164.7 | 0 | 114.4 | F162 R220 M221 N225 A226 Y227 E343 L344 Y347 | F162-K223 HydrophobicContact CZ-CB 4.28Å; R220-K223 VanDerWaalsContact O-CE 3.23Å; R220-K223 WeakPolarHBondContact O-CE 3.34Å; R220-K223 PolarHBondContact O-N 2.99Å; M221-K223 PolarHBondContact O-N 2.96Å; K223-N225 VanDerWaalsContact C-N 3.33Å; K223-N225 PolarHBondContact O-N 3.5Å; K223-A226 WeakPolarHBondContact O-CA 3.5Å; K223-A226 VanDerWaalsContact O-CB 3.28Å; K223-A226 WeakPolarHBondContact O-CB 3.34Å; K223-A226 PolarHBondContact O-N 3.35Å; K223-Y227 HydrophobicContact CB-CD2 4.21Å; K223-Y227 HydrophobicContact CB-CE2 3.84Å; K223-Y227 HydrophobicContact CD-CE2 4.47Å; K223-Y227 PolarHBondContact NZ-OH 3.25Å; K223-Y227 PolarHBondContact O-N 3.03Å; K223-E343 HydrophobicContact CD-CG 4.42Å; K223-E343 WeakPolarHBondContact CE-OE1 3.39Å; K223-E343 IonicContact NZ-OE1 3.88Å; K223-E343 PolarHBondContact NZ-OE1 3.4Å; K223-L344 HydrophobicContact CG-CD2 3.72Å; K223-Y347 HydrophobicContact CD-CD2 3.57Å; K223-Y347 HydrophobicContact CD-CE2 3.54Å; K223-Y347 HydrophobicContact CD-CG 4.43Å; K223-Y347 HydrophobicContact CG-CD2 4.19Å |
| 224 | G | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -51.9 | -48.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | M221 L222 A226 Y227 V228 | M221-G224 PolarHBondContact O-N 3.39Å; L222-G224 PolarHBondContact O-N 3.44Å; G224-A226 VanDerWaalsContact C-N 3.32Å; G224-A226 PolarHBondContact O-N 2.86Å; G224-Y227 PolarHBondContact O-N 2.9Å; G224-V228 WeakPolarHBondContact O-CG2 3.39Å; G224-V228 PolarHBondContact O-N 3.44Å |
| 225 | N | 95.4 | Very high | 92.1 | Very high | 18 Ų | 18 | 14 Ų | 14 | 10% | 0.096 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.9 | -34.3 | 176.2 | -74.4 | -49.3 | 0 | 0 | 0 | 112.7 | K223 G229 Y250 | K223-N225 VanDerWaalsContact C-N 3.33Å; K223-N225 PolarHBondContact O-N 3.5Å; N225-G229 PolarHBondContact O-N 3.24Å; N225-G229 VanDerWaalsContact O-N 3.12Å; N225-Y250 WeakPolarHBondContact OD1-CD1 3.38Å |
| 226 | A | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K223 G224 G229 L230 Y254 V351 | K223-A226 WeakPolarHBondContact O-CA 3.5Å; K223-A226 VanDerWaalsContact O-CB 3.28Å; K223-A226 WeakPolarHBondContact O-CB 3.34Å; K223-A226 PolarHBondContact O-N 3.35Å; G224-A226 VanDerWaalsContact C-N 3.32Å; G224-A226 PolarHBondContact O-N 2.86Å; A226-G229 PolarHBondContact O-N 3.27Å; A226-L230 WeakPolarHBondContact O-CB 3.49Å; A226-L230 WeakPolarHBondContact O-CG 3.44Å; A226-L230 PolarHBondContact O-N 2.95Å; A226-Y254 HydrophobicContact CB-CD1 3.79Å; A226-Y254 HydrophobicContact CB-CD2 3.81Å; A226-Y254 HydrophobicContact CB-CE1 3.92Å; A226-Y254 HydrophobicContact CB-CE2 3.96Å; A226-Y254 HydrophobicContact CB-CG 3.71Å; A226-V351 HydrophobicContact CB-CG2 3.7Å |
| 227 | Y | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | -180 | -68.3 | -38.3 | 0 | 0 | 0 | 112.9 | F162 A169 N170 I173 K223 G224 G229 L230 L231 Y347 | F162-Y227 HydrophobicContact CE2-CD2 4.33Å; F162-Y227 HydrophobicContact CE2-CE2 4.47Å; F162-Y227 HydrophobicContact CZ-CD2 4.17Å; F162-Y227 AromaticContact CZ-CE2 3.87Å; F162-Y227 HydrophobicContact CZ-CE2 3.87Å; A169-Y227 HydrophobicContact CB-CD1 4.16Å; A169-Y227 HydrophobicContact CB-CG 4.05Å; N170-Y227 VanDerWaalsContact OD1-CE1 3.28Å; N170-Y227 WeakPolarHBondContact OD1-CE1 3.48Å; N170-Y227 PolarHBondContact OD1-OH 3.3Å; N170-Y227 VanDerWaalsContact OD1-OH 3.1Å; I173-Y227 HydrophobicContact CD1-CD1 3.52Å; I173-Y227 HydrophobicContact CD1-CE1 3.87Å; K223-Y227 HydrophobicContact CB-CD2 4.21Å; K223-Y227 HydrophobicContact CB-CE2 3.84Å; K223-Y227 HydrophobicContact CD-CE2 4.47Å; K223-Y227 PolarHBondContact NZ-OH 3.25Å; K223-Y227 PolarHBondContact O-N 3.03Å; G224-Y227 PolarHBondContact O-N 2.9Å; Y227-G229 PolarHBondContact O-N 2.95Å; Y227-L230 PolarHBondContact O-N 2.95Å; Y227-L231 WeakPolarHBondContact O-CB 3.37Å; Y227-L231 VanDerWaalsContact O-CG 3.23Å; Y227-L231 WeakPolarHBondContact O-CG 3.46Å; Y227-L231 PolarHBondContact O-N 3.44Å; Y227-Y347 HydrophobicContact CD1-CE1 4.25Å; Y227-Y347 AromaticContact CE1-CE1 3.6Å; Y227-Y347 HydrophobicContact CE1-CE1 3.6Å; Y227-Y347 HydrophobicContact CE1-CE2 4.47Å; Y227-Y347 AromaticContact CE1-CZ 3.58Å; Y227-Y347 WeakPolarHBondContact CE1-OH 3.49Å; Y227-Y347 PolarHBondContact OH-OH 3.18Å |
| 228 | V | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.6 | -51.1 | 175.8 | 180 | 0 | 0 | 0 | 0 | 110.3 | L193 E194 V197 G224 L230 L231 L232 Y250 | L193-V228 HydrophobicContact CB-CG2 3.63Å; E194-V228 HydrophobicContact CB-CG1 4.21Å; E194-V228 HydrophobicContact CB-CG2 4.42Å; V197-V228 HydrophobicContact CG2-CG2 4.12Å; G224-V228 WeakPolarHBondContact O-CG2 3.39Å; G224-V228 PolarHBondContact O-N 3.44Å; V228-L230 PolarHBondContact O-N 2.9Å; V228-L231 PolarHBondContact O-N 2.79Å; V228-L232 HydrophobicContact CG1-CD1 3.78Å; V228-L232 HydrophobicContact CG1-CG 4.38Å; V228-L232 WeakPolarHBondContact O-CB 3.28Å; V228-L232 VanDerWaalsContact O-CG 3.29Å; V228-L232 WeakPolarHBondContact O-CG 3.34Å; V228-L232 PolarHBondContact O-N 3.42Å; V228-L232 VanDerWaalsContact O-N 3.1Å; V228-Y250 HydrophobicContact CB-CD1 4.07Å; V228-Y250 HydrophobicContact CB-CD2 4.28Å; V228-Y250 HydrophobicContact CB-CG 3.92Å; V228-Y250 HydrophobicContact CG1-CD1 3.93Å; V228-Y250 HydrophobicContact CG1-CD2 3.38Å; V228-Y250 HydrophobicContact CG1-CE1 4.21Å; V228-Y250 HydrophobicContact CG1-CE2 3.69Å; V228-Y250 HydrophobicContact CG1-CG 3.54Å |
| 229 | G | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N225 A226 Y227 S233 A247 | N225-G229 PolarHBondContact O-N 3.24Å; N225-G229 VanDerWaalsContact O-N 3.12Å; A226-G229 PolarHBondContact O-N 3.27Å; Y227-G229 PolarHBondContact O-N 2.95Å; G229-S233 WeakPolarHBondContact O-CB 3.28Å; G229-S233 PolarHBondContact O-N 3.15Å; G229-S233 VanDerWaalsContact O-N 3.14Å; G229-S233 PolarHBondContact O-OG 2.93Å; G229-A247 WeakPolarHBondContact O-CB 3.49Å |
| 230 | L | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.6 | -49.5 | 179 | -71.2 | 171.5 | 0 | 0 | 0 | 111.6 | I173 A226 Y227 V228 L232 S233 M234 Y347 F350 V351 R354 | I173-L230 HydrophobicContact CD1-CB 4.24Å; I173-L230 HydrophobicContact CD1-CD1 4.01Å; I173-L230 HydrophobicContact CG1-CB 4.4Å; A226-L230 WeakPolarHBondContact O-CB 3.49Å; A226-L230 WeakPolarHBondContact O-CG 3.44Å; A226-L230 PolarHBondContact O-N 2.95Å; Y227-L230 PolarHBondContact O-N 2.95Å; V228-L230 PolarHBondContact O-N 2.9Å; L230-L232 PolarHBondContact O-N 2.85Å; L230-S233 PolarHBondContact O-N 3.25Å; L230-S233 PolarHBondContact O-OG 3.49Å; L230-M234 HydrophobicContact CB-CE 4.34Å; L230-M234 VanDerWaalsContact O-CG 3.28Å; L230-M234 WeakPolarHBondContact O-CG 3.4Å; L230-M234 PolarHBondContact O-N 3.41Å; L230-Y347 HydrophobicContact CD1-CD1 3.93Å; L230-Y347 HydrophobicContact CD1-CE1 4.13Å; L230-F350 HydrophobicContact CD1-CD1 3.74Å; L230-F350 HydrophobicContact CD1-CE1 3.81Å; L230-F350 HydrophobicContact CD2-CD1 4Å; L230-F350 HydrophobicContact CD2-CD2 4.41Å; L230-F350 HydrophobicContact CD2-CE1 3.92Å; L230-F350 HydrophobicContact CD2-CE2 4.37Å; L230-F350 HydrophobicContact CD2-CG 4.26Å; L230-F350 HydrophobicContact CD2-CZ 4.13Å; L230-F350 HydrophobicContact CG-CE1 4.48Å; L230-V351 HydrophobicContact CD1-CG2 4.31Å; L230-V351 HydrophobicContact CD2-CG2 4.25Å; L230-V351 HydrophobicContact CG-CG2 4.17Å; L230-R354 HydrophobicContact CD2-CB 3.84Å; L230-R354 HydrophobicContact CD2-CG 3.57Å |
| 231 | L | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | -179.1 | -67.9 | 172.7 | 0 | 0 | 0 | 111.5 | A169 F172 I173 V189 A190 L193 Y227 V228 S233 M234 V235 | A169-L231 HydrophobicContact CB-CD1 3.86Å; A169-L231 HydrophobicContact CB-CD2 4.46Å; A169-L231 HydrophobicContact CB-CG 4.44Å; F172-L231 HydrophobicContact CB-CD2 3.62Å; F172-L231 HydrophobicContact CG-CD2 4.37Å; I173-L231 HydrophobicContact CG1-CD2 4.25Å; V189-L231 HydrophobicContact CB-CD1 4.39Å; V189-L231 HydrophobicContact CG1-CD1 3.83Å; A190-L231 HydrophobicContact CB-CB 3.85Å; A190-L231 HydrophobicContact CB-CD1 4.13Å; L193-L231 HydrophobicContact CD1-CD1 3.87Å; Y227-L231 WeakPolarHBondContact O-CB 3.37Å; Y227-L231 VanDerWaalsContact O-CG 3.23Å; Y227-L231 WeakPolarHBondContact O-CG 3.46Å; Y227-L231 PolarHBondContact O-N 3.44Å; V228-L231 PolarHBondContact O-N 2.79Å; L231-S233 PolarHBondContact O-N 2.98Å; L231-M234 PolarHBondContact O-N 3.41Å; L231-M234 VanDerWaalsContact O-N 3.11Å; L231-V235 WeakPolarHBondContact O-CG2 3.34Å |
| 232 | L | 95.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.3 | -31.3 | 178.6 | -66.1 | 177.1 | 0 | 0 | 0 | 112.5 | A190 V228 L230 M234 L243 S246 A247 Y250 | A190-L232 HydrophobicContact CB-CD2 3.68Å; A190-L232 HydrophobicContact CB-CG 4Å; V228-L232 HydrophobicContact CG1-CD1 3.78Å; V228-L232 HydrophobicContact CG1-CG 4.38Å; V228-L232 WeakPolarHBondContact O-CB 3.28Å; V228-L232 VanDerWaalsContact O-CG 3.29Å; V228-L232 WeakPolarHBondContact O-CG 3.34Å; V228-L232 PolarHBondContact O-N 3.42Å; V228-L232 VanDerWaalsContact O-N 3.1Å; L230-L232 PolarHBondContact O-N 2.85Å; L232-M234 VanDerWaalsContact C-N 3.32Å; L232-L243 HydrophobicContact CD2-CD2 3.98Å; L232-S246 WeakPolarHBondContact CD1-OG 3.4Å; L232-A247 HydrophobicContact CB-CB 3.74Å; L232-Y250 HydrophobicContact CD1-CD2 4.32Å |
| 233 | S | 93.7 | Very high | 91.6 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.5 | -14.3 | 177.6 | 74.4 | 0 | 0 | 0 | 0 | 114.9 | G229 L230 L231 | G229-S233 WeakPolarHBondContact O-CB 3.28Å; G229-S233 PolarHBondContact O-N 3.15Å; G229-S233 VanDerWaalsContact O-N 3.14Å; G229-S233 PolarHBondContact O-OG 2.93Å; L230-S233 PolarHBondContact O-N 3.25Å; L230-S233 PolarHBondContact O-OG 3.49Å; L231-S233 PolarHBondContact O-N 2.98Å |
| 234 | M | 89.5 | Confident | 91.6 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.059 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -90.4 | -22.1 | -177 | -72.1 | 170.8 | -178.1 | 0 | 0 | 113.1 | I173 P177 L230 L231 L232 F350 | I173-M234 HydrophobicContact CB-CE 4.3Å; I173-M234 HydrophobicContact CG1-CE 3.98Å; I173-M234 HydrophobicContact CG1-SD 4.31Å; I173-M234 HydrophobicContact CG2-CE 4.34Å; P177-M234 HydrophobicContact CG-CB 4.26Å; L230-M234 HydrophobicContact CB-CE 4.34Å; L230-M234 VanDerWaalsContact O-CG 3.28Å; L230-M234 WeakPolarHBondContact O-CG 3.4Å; L230-M234 PolarHBondContact O-N 3.41Å; L231-M234 PolarHBondContact O-N 3.41Å; L231-M234 VanDerWaalsContact O-N 3.11Å; L232-M234 VanDerWaalsContact C-N 3.32Å; M234-F350 HydrophobicContact CE-CE1 4.5Å; M234-F350 HydrophobicContact CE-CZ 3.99Å |
| 235 | V | 89.2 | Confident | 91.6 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | trans | -80.9 | 135 | -169.9 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | D183 C186 I187 L231 T237 L243 | D183-V235 HydrophobicContact CB-CG1 4.07Å; D183-V235 WeakPolarHBondContact OD1-CA 3.29Å; C186-V235 HydrophobicContact CB-CG2 3.88Å; I187-V235 HydrophobicContact CD1-CG1 3.77Å; I187-V235 HydrophobicContact CG1-CB 4.4Å; I187-V235 HydrophobicContact CG1-CG1 3.78Å; I187-V235 HydrophobicContact CG1-CG2 3.98Å; L231-V235 WeakPolarHBondContact O-CG2 3.34Å; V235-T237 HydrophobicContact CG1-CG2 3.56Å; V235-L243 HydrophobicContact CB-CD1 4.35Å; V235-L243 HydrophobicContact CG1-CD1 3.84Å | ||
| 236 | K | 83.7 | Confident | 91.6 | Very high | 150 Ų | 150 | 36.6 Ų | 36.6 | 65% | 0.652 | 21% | 0.214 | S | C | * | . | trans | -114 | 92.2 | 178.4 | -62.8 | 178.2 | -173.9 | 172.6 | 0 | 110.5 | ||||
| 237 | T | 81.7 | Confident | 91.6 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 26% | 0.264 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -132.4 | 171.9 | -179.4 | 60.3 | 0 | 0 | 0 | 0 | 111.6 | D183 I187 V235 N239 E240 L243 | D183-T237 HydrophobicContact CB-CG2 4.28Å; I187-T237 HydrophobicContact CD1-CG2 4.19Å; V235-T237 HydrophobicContact CG1-CG2 3.56Å; T237-N239 PolarHBondContact O-N 3.44Å; T237-E240 WeakPolarHBondContact O-CB 3.5Å; T237-E240 PolarHBondContact O-N 2.99Å; T237-E240 VanDerWaalsContact O-N 3.11Å; T237-L243 VanDerWaalsContact OG1-CD1 3.25Å; T237-L243 WeakPolarHBondContact OG1-CD1 3.29Å |
| 238 | G | 77.7 | Confident | 91.6 | Very high | 86 Ų | 86 | 37.8 Ų | 37.8 | 89% | 0.887 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 239 | N | 85.9 | Confident | 91.5 | Very high | 97 Ų | 97 | 40.6 Ų | 40.6 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 31.8 | 177.4 | -66.5 | 20.6 | 0 | 0 | 0 | 112.2 | T237 S241 E242 L243 | T237-N239 PolarHBondContact O-N 3.44Å; N239-S241 VanDerWaalsContact C-N 3.26Å; N239-S241 PolarHBondContact O-N 2.68Å; N239-S241 VanDerWaalsContact O-N 3.16Å; N239-E242 PolarHBondContact ND2-OE2 3.3Å; N239-E242 VanDerWaalsContact ND2-OE2 3.15Å; N239-E242 PolarHBondContact O-N 3.41Å; N239-E242 VanDerWaalsContact O-N 3.14Å; N239-L243 PolarHBondContact O-N 3.02Å |
| 240 | E | 88.5 | Confident | 91.6 | Very high | 47 Ų | 47 | 41 Ų | 41 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.6 | -41.3 | -174.5 | -165.9 | 179.7 | 176.7 | 0 | 0 | 113 | T237 E242 L243 L244 K361 L365 | T237-E240 WeakPolarHBondContact O-CB 3.5Å; T237-E240 PolarHBondContact O-N 2.99Å; T237-E240 VanDerWaalsContact O-N 3.11Å; E240-E242 PolarHBondContact O-N 3.22Å; E240-L243 PolarHBondContact O-N 2.9Å; E240-L244 HydrophobicContact CG-CD1 3.89Å; E240-L244 HydrophobicContact CG-CG 4.23Å; E240-L244 WeakPolarHBondContact O-CB 3.34Å; E240-L244 VanDerWaalsContact O-CG 3.26Å; E240-L244 WeakPolarHBondContact O-CG 3.26Å; E240-L244 PolarHBondContact O-N 2.72Å; E240-K361 WeakPolarHBondContact OE1-CE 3.49Å; E240-K361 IonicContact OE1-NZ 2.92Å; E240-L365 HydrophobicContact CB-CD1 4.08Å; E240-L365 HydrophobicContact CG-CD1 3.95Å |
| 241 | S | 91 | Very high | 91.6 | Very high | 40 Ų | 40 | 41 Ų | 41 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62 | -43.5 | -179.9 | 177.9 | 0 | 0 | 0 | 0 | 113.2 | N239 T245 L362 | N239-S241 VanDerWaalsContact C-N 3.26Å; N239-S241 PolarHBondContact O-N 2.68Å; N239-S241 VanDerWaalsContact O-N 3.16Å; S241-T245 WeakPolarHBondContact O-CB 3.46Å; S241-T245 PolarHBondContact O-N 2.97Å; S241-T245 PolarHBondContact O-OG1 3.41Å; S241-L362 WeakPolarHBondContact OG-CD1 3.44Å |
| 242 | E | 93.4 | Very high | 91.6 | Very high | 132 Ų | 132 | 41.8 Ų | 41.8 | 62% | 0.617 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.7 | -42.9 | 178.6 | -65.5 | 179 | 165.2 | 0 | 0 | 110.9 | N239 E240 T245 S246 | N239-E242 PolarHBondContact ND2-OE2 3.3Å; N239-E242 VanDerWaalsContact ND2-OE2 3.15Å; N239-E242 PolarHBondContact O-N 3.41Å; N239-E242 VanDerWaalsContact O-N 3.14Å; E240-E242 PolarHBondContact O-N 3.22Å; E242-T245 PolarHBondContact O-N 3.12Å; E242-S246 PolarHBondContact O-N 3.25Å |
| 243 | L | 93.9 | Very high | 91.6 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 14% | 0.136 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 177.9 | -65.6 | 176.2 | 0 | 0 | 0 | 111.4 | I187 L232 V235 T237 N239 E240 S246 A247 | I187-L243 HydrophobicContact CD1-CD1 4.39Å; L232-L243 HydrophobicContact CD2-CD2 3.98Å; V235-L243 HydrophobicContact CB-CD1 4.35Å; V235-L243 HydrophobicContact CG1-CD1 3.84Å; T237-L243 VanDerWaalsContact OG1-CD1 3.25Å; T237-L243 WeakPolarHBondContact OG1-CD1 3.29Å; N239-L243 PolarHBondContact O-N 3.02Å; E240-L243 PolarHBondContact O-N 2.9Å; L243-S246 PolarHBondContact O-N 3.38Å; L243-A247 VanDerWaalsContact O-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 3.38Å; L243-A247 PolarHBondContact O-N 2.78Å |
| 244 | L | 94.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.8 | -72.9 | 174.8 | 0 | 0 | 0 | 112 | E240 S246 A247 I248 A358 K361 L362 L365 | E240-L244 HydrophobicContact CG-CD1 3.89Å; E240-L244 HydrophobicContact CG-CG 4.23Å; E240-L244 WeakPolarHBondContact O-CB 3.34Å; E240-L244 VanDerWaalsContact O-CG 3.26Å; E240-L244 WeakPolarHBondContact O-CG 3.26Å; E240-L244 PolarHBondContact O-N 2.72Å; L244-S246 VanDerWaalsContact C-N 3.35Å; L244-S246 PolarHBondContact O-N 3.4Å; L244-A247 WeakPolarHBondContact O-CB 3.36Å; L244-A247 PolarHBondContact O-N 2.87Å; L244-I248 WeakPolarHBondContact O-CB 3.49Å; L244-I248 WeakPolarHBondContact O-CD1 3.37Å; L244-I248 WeakPolarHBondContact O-CG1 3.26Å; L244-I248 PolarHBondContact O-N 3.05Å; L244-A358 HydrophobicContact CD2-CB 3.93Å; L244-K361 HydrophobicContact CD1-CB 3.99Å; L244-K361 HydrophobicContact CD1-CG 3.6Å; L244-L362 HydrophobicContact CB-CB 4.5Å; L244-L365 HydrophobicContact CD1-CD1 3.88Å |
| 245 | T | 94.7 | Very high | 92 | Very high | 65 Ų | 65 | 45.8 Ų | 45.8 | 40% | 0.399 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 175.5 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | S241 E242 I248 V249 | S241-T245 WeakPolarHBondContact O-CB 3.46Å; S241-T245 PolarHBondContact O-N 2.97Å; S241-T245 PolarHBondContact O-OG1 3.41Å; E242-T245 PolarHBondContact O-N 3.12Å; T245-I248 PolarHBondContact O-N 3.4Å; T245-V249 WeakPolarHBondContact O-CG2 3.32Å; T245-V249 PolarHBondContact O-N 2.79Å |
| 246 | S | 95.3 | Very high | 92.2 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | L232 E242 L243 L244 I248 V249 Y250 | L232-S246 WeakPolarHBondContact CD1-OG 3.4Å; E242-S246 PolarHBondContact O-N 3.25Å; L243-S246 PolarHBondContact O-N 3.38Å; L244-S246 VanDerWaalsContact C-N 3.35Å; L244-S246 PolarHBondContact O-N 3.4Å; S246-I248 VanDerWaalsContact C-N 3.32Å; S246-I248 PolarHBondContact O-N 3.39Å; S246-V249 WeakPolarHBondContact O-CB 3.42Å; S246-V249 PolarHBondContact O-N 2.96Å; S246-V249 VanDerWaalsContact O-N 3.09Å; S246-Y250 VanDerWaalsContact O-CD2 3.28Å; S246-Y250 WeakPolarHBondContact O-CD2 3.41Å; S246-Y250 PolarHBondContact O-N 3.37Å; S246-Y250 VanDerWaalsContact O-N 3.09Å; S246-Y250 WeakPolarHBondContact OG-CE2 3.36Å |
| 247 | A | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G229 L232 L243 L244 V249 Y250 M251 | G229-A247 WeakPolarHBondContact O-CB 3.49Å; L232-A247 HydrophobicContact CB-CB 3.74Å; L243-A247 VanDerWaalsContact O-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 3.38Å; L243-A247 PolarHBondContact O-N 2.78Å; L244-A247 WeakPolarHBondContact O-CB 3.36Å; L244-A247 PolarHBondContact O-N 2.87Å; A247-V249 VanDerWaalsContact C-N 3.33Å; A247-V249 PolarHBondContact O-N 3.15Å; A247-Y250 PolarHBondContact O-N 2.93Å; A247-M251 HydrophobicContact CB-CE 3.96Å; A247-M251 WeakPolarHBondContact O-CB 3.26Å; A247-M251 WeakPolarHBondContact O-CE 3.46Å; A247-M251 VanDerWaalsContact O-CG 3.32Å; A247-M251 WeakPolarHBondContact O-CG 3.48Å; A247-M251 PolarHBondContact O-N 3.1Å |
| 248 | I | 95.8 | Very high | 93.3 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 176.7 | -74 | 162.5 | 0 | 0 | 0 | 110.9 | L244 T245 S246 A252 L355 A358 K359 L362 | L244-I248 WeakPolarHBondContact O-CB 3.49Å; L244-I248 WeakPolarHBondContact O-CD1 3.37Å; L244-I248 WeakPolarHBondContact O-CG1 3.26Å; L244-I248 PolarHBondContact O-N 3.05Å; T245-I248 PolarHBondContact O-N 3.4Å; S246-I248 VanDerWaalsContact C-N 3.32Å; S246-I248 PolarHBondContact O-N 3.39Å; I248-A252 VanDerWaalsContact O-CB 3.28Å; I248-A252 WeakPolarHBondContact O-CB 3.12Å; I248-A252 PolarHBondContact O-N 3.2Å; I248-L355 HydrophobicContact CB-CD1 4.05Å; I248-L355 HydrophobicContact CG1-CD1 3.9Å; I248-L355 HydrophobicContact CG2-CD1 3.92Å; I248-A358 HydrophobicContact CD1-CB 4.42Å; I248-A358 HydrophobicContact CG1-CB 3.99Å; I248-K359 HydrophobicContact CD1-CG 3.84Å; I248-K359 HydrophobicContact CG1-CG 4.07Å; I248-L362 HydrophobicContact CD1-CB 4.29Å; I248-L362 HydrophobicContact CD1-CD2 3.62Å |
| 249 | V | 95.2 | Very high | 94 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 179 | 172 | 0 | 0 | 0 | 0 | 111.1 | T245 S246 A247 A252 R253 | T245-V249 WeakPolarHBondContact O-CG2 3.32Å; T245-V249 PolarHBondContact O-N 2.79Å; S246-V249 WeakPolarHBondContact O-CB 3.42Å; S246-V249 PolarHBondContact O-N 2.96Å; S246-V249 VanDerWaalsContact O-N 3.09Å; A247-V249 VanDerWaalsContact C-N 3.33Å; A247-V249 PolarHBondContact O-N 3.15Å; V249-A252 PolarHBondContact O-N 3.46Å; V249-R253 WeakPolarHBondContact O-CB 3.17Å; V249-R253 VanDerWaalsContact O-CG 3.31Å; V249-R253 WeakPolarHBondContact O-CG 3.3Å; V249-R253 PolarHBondContact O-N 2.87Å |
| 250 | Y | 96.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | -179.3 | -78.2 | -71.5 | 0 | 0 | 0 | 112.7 | E194 V197 V198 N225 V228 L232 S246 A247 A252 R253 Y254 | E194-Y250 VanDerWaalsContact CD-OH 3.3Å; E194-Y250 HydrophobicContact CG-CE2 4.41Å; E194-Y250 VanDerWaalsContact CG-OH 3.26Å; E194-Y250 WeakPolarHBondContact CG-OH 3.37Å; E194-Y250 VanDerWaalsContact OE1-CE2 3.31Å; E194-Y250 WeakPolarHBondContact OE1-CE2 3.44Å; E194-Y250 VanDerWaalsContact OE1-CZ 3.32Å; E194-Y250 PolarHBondContact OE1-OH 2.96Å; V197-Y250 HydrophobicContact CG2-CD1 4.46Å; V197-Y250 HydrophobicContact CG2-CE1 3.9Å; V198-Y250 HydrophobicContact CG2-CE1 4.49Å; V198-Y250 WeakPolarHBondContact CG2-OH 3.47Å; N225-Y250 WeakPolarHBondContact OD1-CD1 3.38Å; V228-Y250 HydrophobicContact CB-CD1 4.07Å; V228-Y250 HydrophobicContact CB-CD2 4.28Å; V228-Y250 HydrophobicContact CB-CG 3.92Å; V228-Y250 HydrophobicContact CG1-CD1 3.93Å; V228-Y250 HydrophobicContact CG1-CD2 3.38Å; V228-Y250 HydrophobicContact CG1-CE1 4.21Å; V228-Y250 HydrophobicContact CG1-CE2 3.69Å; V228-Y250 HydrophobicContact CG1-CG 3.54Å; L232-Y250 HydrophobicContact CD1-CD2 4.32Å; S246-Y250 VanDerWaalsContact O-CD2 3.28Å; S246-Y250 WeakPolarHBondContact O-CD2 3.41Å; S246-Y250 PolarHBondContact O-N 3.37Å; S246-Y250 VanDerWaalsContact O-N 3.09Å; S246-Y250 WeakPolarHBondContact OG-CE2 3.36Å; A247-Y250 PolarHBondContact O-N 2.93Å; Y250-A252 PolarHBondContact O-N 3.43Å; Y250-R253 PolarHBondContact O-N 3.38Å; Y250-Y254 PolarHBondContact O-N 3.17Å |
| 251 | M | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 174 | -76.1 | -167.9 | -81.2 | 0 | 0 | 112.3 | A247 Y254 M255 V351 R354 L355 A358 | A247-M251 HydrophobicContact CB-CE 3.96Å; A247-M251 WeakPolarHBondContact O-CB 3.26Å; A247-M251 WeakPolarHBondContact O-CE 3.46Å; A247-M251 VanDerWaalsContact O-CG 3.32Å; A247-M251 WeakPolarHBondContact O-CG 3.48Å; A247-M251 PolarHBondContact O-N 3.1Å; M251-Y254 PolarHBondContact O-N 3.46Å; M251-M255 PolarHBondContact O-N 3.49Å; M251-M255 VanDerWaalsContact O-N 3.15Å; M251-V351 HydrophobicContact CB-CG1 3.57Å; M251-V351 HydrophobicContact CG-CG1 3.7Å; M251-V351 HydrophobicContact SD-CG1 4.16Å; M251-R354 HydrophobicContact SD-CB 3.8Å; M251-L355 HydrophobicContact CB-CB 4.33Å; M251-L355 HydrophobicContact CB-CD1 4.05Å; M251-L355 HydrophobicContact CE-CB 4.35Å; M251-L355 HydrophobicContact CE-CD1 4.17Å; M251-L355 HydrophobicContact SD-CB 3.99Å; M251-L355 PolarHBondContact SD-N 3.27Å; M251-A358 HydrophobicContact CE-CB 3.9Å |
| 252 | A | 95.5 | Very high | 94.6 | Very high | 16 Ų | 16 | 43 Ų | 43 | 13% | 0.132 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I248 V249 Y250 Y254 M255 N256 I273 | I248-A252 VanDerWaalsContact O-CB 3.28Å; I248-A252 WeakPolarHBondContact O-CB 3.12Å; I248-A252 PolarHBondContact O-N 3.2Å; V249-A252 PolarHBondContact O-N 3.46Å; Y250-A252 PolarHBondContact O-N 3.43Å; A252-Y254 VanDerWaalsContact C-N 3.33Å; A252-Y254 PolarHBondContact O-N 3.28Å; A252-M255 PolarHBondContact O-N 2.83Å; A252-N256 WeakPolarHBondContact O-CB 3.5Å; A252-N256 PolarHBondContact O-N 3Å; A252-N256 PolarHBondContact O-ND2 3.42Å; A252-I273 HydrophobicContact CB-CG2 4.19Å |
| 253 | R | 94.5 | Very high | 94.7 | Very high | 120 Ų | 120 | 37.9 Ų | 37.9 | 45% | 0.453 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 175.3 | -76.9 | 175.1 | 177 | 171.9 | -0.1 | 112.3 | V249 Y250 S257 | V249-R253 WeakPolarHBondContact O-CB 3.17Å; V249-R253 VanDerWaalsContact O-CG 3.31Å; V249-R253 WeakPolarHBondContact O-CG 3.3Å; V249-R253 PolarHBondContact O-N 2.87Å; Y250-R253 PolarHBondContact O-N 3.38Å; R253-S257 WeakPolarHBondContact O-CB 3.28Å; R253-S257 PolarHBondContact O-N 3.41Å; R253-S257 PolarHBondContact O-OG 2.85Å |
| 254 | Y | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -53 | 175.2 | 175.4 | -114.6 | 0 | 0 | 0 | 111.6 | L222 A226 Y250 M251 A252 N256 S257 L258 L344 Y347 A348 V351 | L222-Y254 VanDerWaalsContact O-CD2 3.26Å; L222-Y254 WeakPolarHBondContact O-CD2 3.44Å; L222-Y254 WeakPolarHBondContact O-CE2 3.38Å; A226-Y254 HydrophobicContact CB-CD1 3.79Å; A226-Y254 HydrophobicContact CB-CD2 3.81Å; A226-Y254 HydrophobicContact CB-CE1 3.92Å; A226-Y254 HydrophobicContact CB-CE2 3.96Å; A226-Y254 HydrophobicContact CB-CG 3.71Å; Y250-Y254 PolarHBondContact O-N 3.17Å; M251-Y254 PolarHBondContact O-N 3.46Å; A252-Y254 VanDerWaalsContact C-N 3.33Å; A252-Y254 PolarHBondContact O-N 3.28Å; Y254-N256 VanDerWaalsContact C-N 3.35Å; Y254-N256 PolarHBondContact O-N 3.33Å; Y254-S257 WeakPolarHBondContact O-CB 3.36Å; Y254-S257 PolarHBondContact O-N 2.85Å; Y254-S257 VanDerWaalsContact O-N 3.1Å; Y254-L258 HydrophobicContact CD1-CD1 4.34Å; Y254-L258 HydrophobicContact CD2-CG 4.5Å; Y254-L258 HydrophobicContact CE1-CD1 3.64Å; Y254-L258 HydrophobicContact CE1-CG 4.33Å; Y254-L258 HydrophobicContact CE2-CD1 4.12Å; Y254-L258 HydrophobicContact CE2-CD2 4.13Å; Y254-L258 HydrophobicContact CE2-CG 4.07Å; Y254-L258 PolarHBondContact O-N 3.41Å; Y254-L344 HydrophobicContact CE2-CD2 4.42Å; Y254-L344 PolarHBondContact OH-O 2.87Å; Y254-Y347 WeakPolarHBondContact OH-CB 3.45Å; Y254-A348 HydrophobicContact CE1-CB 4.39Å; Y254-V351 HydrophobicContact CD1-CB 4.09Å; Y254-V351 HydrophobicContact CD1-CG1 4.11Å; Y254-V351 HydrophobicContact CD1-CG2 3.82Å; Y254-V351 HydrophobicContact CE1-CB 4.42Å; Y254-V351 HydrophobicContact CE1-CG2 4.1Å |
| 255 | M | 95.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | -179 | -70.4 | -160.9 | -76.5 | 0 | 0 | 112.6 | M251 A252 S257 L258 K259 Y264 A269 I273 V351 F352 L355 | M251-M255 PolarHBondContact O-N 3.49Å; M251-M255 VanDerWaalsContact O-N 3.15Å; A252-M255 PolarHBondContact O-N 2.83Å; M255-S257 VanDerWaalsContact C-N 3.3Å; M255-S257 PolarHBondContact O-N 3.12Å; M255-L258 PolarHBondContact O-N 3.44Å; M255-K259 WeakPolarHBondContact O-CB 3.47Å; M255-K259 PolarHBondContact O-N 3.3Å; M255-Y264 HydrophobicContact SD-CE1 4.28Å; M255-A269 HydrophobicContact SD-CB 3.92Å; M255-I273 HydrophobicContact CB-CD1 3.52Å; M255-I273 HydrophobicContact CB-CG1 4.43Å; M255-I273 HydrophobicContact CE-CD1 3.78Å; M255-I273 HydrophobicContact CE-CG1 3.5Å; M255-I273 HydrophobicContact CG-CD1 4.47Å; M255-I273 HydrophobicContact SD-CD1 4.28Å; M255-V351 HydrophobicContact CE-CG1 4.43Å; M255-V351 HydrophobicContact CG-CG1 4.02Å; M255-V351 HydrophobicContact SD-CG1 4.44Å; M255-F352 HydrophobicContact SD-CB 4.48Å; M255-L355 HydrophobicContact CE-CD2 3.15Å; M255-L355 HydrophobicContact CE-CG 4.41Å |
| 256 | N | 93.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 38.4 Ų | 38.4 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.4 | -37.3 | 173.7 | -77.5 | -22.5 | 0 | 0 | 0 | 112.1 | A252 Y254 K259 R260 | A252-N256 WeakPolarHBondContact O-CB 3.5Å; A252-N256 PolarHBondContact O-N 3Å; A252-N256 PolarHBondContact O-ND2 3.42Å; Y254-N256 VanDerWaalsContact C-N 3.35Å; Y254-N256 PolarHBondContact O-N 3.33Å; N256-K259 PolarHBondContact O-N 3.41Å; N256-R260 WeakPolarHBondContact O-CB 3.5Å; N256-R260 PolarHBondContact O-N 2.95Å |
| 257 | S | 93.2 | Very high | 94.2 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | R253 Y254 M255 K259 R260 F261 | R253-S257 WeakPolarHBondContact O-CB 3.28Å; R253-S257 PolarHBondContact O-N 3.41Å; R253-S257 PolarHBondContact O-OG 2.85Å; Y254-S257 WeakPolarHBondContact O-CB 3.36Å; Y254-S257 PolarHBondContact O-N 2.85Å; Y254-S257 VanDerWaalsContact O-N 3.1Å; M255-S257 VanDerWaalsContact C-N 3.3Å; M255-S257 PolarHBondContact O-N 3.12Å; S257-K259 PolarHBondContact O-N 3.1Å; S257-R260 WeakPolarHBondContact O-CB 3.31Å; S257-R260 PolarHBondContact O-N 3.49Å; S257-F261 WeakPolarHBondContact O-CD2 3.5Å; S257-F261 PolarHBondContact O-N 3.42Å; S257-F261 VanDerWaalsContact O-N 3.17Å |
| 258 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 177 | -64.1 | -173.3 | 0 | 0 | 0 | 112.9 | Y254 M255 F261 G262 I263 Y264 L344 A348 | Y254-L258 HydrophobicContact CD1-CD1 4.34Å; Y254-L258 HydrophobicContact CD2-CG 4.5Å; Y254-L258 HydrophobicContact CE1-CD1 3.64Å; Y254-L258 HydrophobicContact CE1-CG 4.33Å; Y254-L258 HydrophobicContact CE2-CD1 4.12Å; Y254-L258 HydrophobicContact CE2-CD2 4.13Å; Y254-L258 HydrophobicContact CE2-CG 4.07Å; Y254-L258 PolarHBondContact O-N 3.41Å; M255-L258 PolarHBondContact O-N 3.44Å; L258-F261 CarbonylContact O-C 3.57Å; L258-F261 PolarHBondContact O-N 3.48Å; L258-G262 PolarHBondContact O-N 3.29Å; L258-I263 HydrophobicContact CB-CB 4.37Å; L258-I263 HydrophobicContact CD2-CB 4.31Å; L258-I263 HydrophobicContact CD2-CD1 4.14Å; L258-I263 HydrophobicContact CD2-CG2 4.26Å; L258-I263 PolarHBondContact O-N 3.03Å; L258-Y264 PolarHBondContact O-N 2.93Å; L258-L344 HydrophobicContact CD2-CB 4.21Å; L258-L344 HydrophobicContact CD2-CD1 4.38Å; L258-L344 HydrophobicContact CD2-CD2 4.28Å; L258-A348 HydrophobicContact CD1-CB 3.61Å |
| 259 | K | 93.9 | Very high | 93.7 | Very high | 92 Ų | 92 | 42.5 Ų | 42.5 | 40% | 0.4 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 174.7 | -177.6 | 177 | 178.5 | 173.8 | 0 | 111.2 | M255 N256 S257 F261 G262 Y264 T270 | M255-K259 WeakPolarHBondContact O-CB 3.47Å; M255-K259 PolarHBondContact O-N 3.3Å; N256-K259 PolarHBondContact O-N 3.41Å; S257-K259 PolarHBondContact O-N 3.1Å; K259-F261 VanDerWaalsContact C-N 3.25Å; K259-F261 PolarHBondContact O-N 3.3Å; K259-G262 PolarHBondContact O-N 3.46Å; K259-Y264 VanDerWaalsContact CA-O 3.25Å; K259-Y264 WeakPolarHBondContact CA-O 3.44Å; K259-Y264 PolarHBondContact N-O 3.4Å; K259-T270 PolarHBondContact NZ-OG1 3.17Å |
| 260 | R | 92.6 | Very high | 93.6 | Very high | 147 Ų | 147 | 42.2 Ų | 42.2 | 56% | 0.555 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -57.1 | -38.9 | 176.2 | -176.4 | -177.3 | 69 | -172.9 | -1.5 | 112.2 | Y206 N256 S257 G262 | Y206-R260 VanDerWaalsContact CB-NH2 3.32Å; N256-R260 WeakPolarHBondContact O-CB 3.5Å; N256-R260 PolarHBondContact O-N 2.95Å; S257-R260 WeakPolarHBondContact O-CB 3.31Å; S257-R260 PolarHBondContact O-N 3.49Å; R260-G262 VanDerWaalsContact C-N 3.28Å; R260-G262 PolarHBondContact O-N 2.92Å |
| 261 | F | 93.4 | Very high | 93.2 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 5% | 0.048 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 3.1 | 177.6 | -71.7 | -62.3 | 0 | 0 | 0 | 114.2 | Y206 K209 V211 L214 L222 S257 L258 K259 I263 | Y206-F261 HydrophobicContact CD1-CE2 4.3Å; Y206-F261 HydrophobicContact CD1-CZ 4.13Å; Y206-F261 HydrophobicContact CG-CE2 4.48Å; Y206-F261 HydrophobicContact CG-CZ 4.34Å; K209-F261 WeakPolarHBondContact O-CE1 3.23Å; V211-F261 HydrophobicContact CB-CB 4.1Å; V211-F261 HydrophobicContact CB-CD1 4.17Å; V211-F261 WeakPolarHBondContact CB-O 3.32Å; V211-F261 HydrophobicContact CG2-CB 4.22Å; L214-F261 HydrophobicContact CD1-CD1 4.08Å; L214-F261 HydrophobicContact CD1-CD2 4.44Å; L214-F261 HydrophobicContact CD1-CE1 3.79Å; L214-F261 HydrophobicContact CD1-CE2 4.2Å; L214-F261 HydrophobicContact CD1-CG 4.39Å; L214-F261 HydrophobicContact CD1-CZ 3.85Å; L214-F261 HydrophobicContact CD2-CE1 4.28Å; L214-F261 HydrophobicContact CD2-CZ 4.22Å; L214-F261 HydrophobicContact CG-CE1 4.22Å; L214-F261 HydrophobicContact CG-CZ 4.47Å; L222-F261 HydrophobicContact CD1-CD2 4.21Å; L222-F261 HydrophobicContact CD1-CE2 4.43Å; L222-F261 HydrophobicContact CD2-CD2 4.1Å; L222-F261 HydrophobicContact CD2-CE2 3.68Å; S257-F261 WeakPolarHBondContact O-CD2 3.5Å; S257-F261 PolarHBondContact O-N 3.42Å; S257-F261 VanDerWaalsContact O-N 3.17Å; L258-F261 CarbonylContact O-C 3.57Å; L258-F261 PolarHBondContact O-N 3.48Å; K259-F261 VanDerWaalsContact C-N 3.25Å; K259-F261 PolarHBondContact O-N 3.3Å; F261-I263 HydrophobicContact CB-CD1 3.9Å; F261-I263 HydrophobicContact CB-CG1 3.91Å; F261-I263 PolarHBondContact O-N 3.18Å |
| 262 | G | 92.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 62% | 0.619 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 17.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L258 K259 R260 | L258-G262 PolarHBondContact O-N 3.29Å; K259-G262 PolarHBondContact O-N 3.46Å; R260-G262 VanDerWaalsContact C-N 3.28Å; R260-G262 PolarHBondContact O-N 2.92Å |
| 263 | I | 93.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -80.3 | -40.1 | 179.4 | -61.4 | 174.1 | 0 | 0 | 0 | 109.9 | V211 L219 L222 L258 F261 L344 L345 | V211-I263 HydrophobicContact CG2-CD1 3.92Å; V211-I263 HydrophobicContact CG2-CG1 3.88Å; L219-I263 HydrophobicContact CD2-CD1 4.39Å; L222-I263 HydrophobicContact CD1-CD1 4.16Å; L258-I263 HydrophobicContact CB-CB 4.37Å; L258-I263 HydrophobicContact CD2-CB 4.31Å; L258-I263 HydrophobicContact CD2-CD1 4.14Å; L258-I263 HydrophobicContact CD2-CG2 4.26Å; L258-I263 PolarHBondContact O-N 3.03Å; F261-I263 HydrophobicContact CB-CD1 3.9Å; F261-I263 HydrophobicContact CB-CG1 3.91Å; F261-I263 PolarHBondContact O-N 3.18Å; I263-L344 HydrophobicContact CD1-CD1 3.85Å; I263-L344 HydrophobicContact CG2-CB 4.3Å; I263-L345 HydrophobicContact CG2-CD2 4.42Å; I263-L345 WeakPolarHBondContact O-CD2 3.36Å |
| 264 | Y | 93.9 | Very high | 92.5 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | trans | -141.8 | 115 | -175.8 | -176 | -104.6 | 0 | 0 | 0 | 111.6 | M255 L258 K259 D266 A269 H293 L345 A348 H349 | M255-Y264 HydrophobicContact SD-CE1 4.28Å; L258-Y264 PolarHBondContact O-N 2.93Å; K259-Y264 VanDerWaalsContact CA-O 3.25Å; K259-Y264 WeakPolarHBondContact CA-O 3.44Å; K259-Y264 PolarHBondContact N-O 3.4Å; Y264-D266 HydrophobicContact CE1-CB 4.2Å; Y264-D266 HydrophobicContact CE2-CB 4.13Å; Y264-A269 HydrophobicContact CE1-CB 3.57Å; Y264-H293 PolarHBondContact OH-CE1 3.14Å; Y264-H293 PolarHBondContact OH-ND1 3.15Å; Y264-L345 HydrophobicContact CD2-CD2 3.74Å; Y264-L345 HydrophobicContact CG-CD2 4.46Å; Y264-A348 HydrophobicContact CD1-CB 3.93Å; Y264-A348 HydrophobicContact CD2-CB 3.69Å; Y264-A348 HydrophobicContact CE1-CB 4.09Å; Y264-A348 HydrophobicContact CE2-CB 3.87Å; Y264-A348 HydrophobicContact CG-CB 3.7Å; Y264-H349 AromaticContact CE2-CE1 3.6Å; Y264-H349 AromaticContact CE2-NE2 3.76Å | ||
| 265 | S | 90.7 | Very high | 92 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 56% | 0.559 | 28% | 0.278 | S | S | * | . | trans | -136.7 | 54.3 | -175.7 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 266 | D | 92.4 | Very high | 91.3 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | trans | -78.7 | 127.1 | 174 | -159.7 | -58.1 | 0 | 0 | 0 | 109.7 | Y264 D268 A269 T270 K292 H293 K296 | Y264-D266 HydrophobicContact CE1-CB 4.2Å; Y264-D266 HydrophobicContact CE2-CB 4.13Å; D266-D268 PolarHBondContact O-N 3.17Å; D266-D268 WeakPolarHBondContact OD1-CB 3.49Å; D266-D268 PolarHBondContact OD1-N 2.8Å; D266-D268 VanDerWaalsContact OD1-N 3.1Å; D266-A269 HydrophobicContact CB-CB 4.24Å; D266-A269 WeakPolarHBondContact O-CB 3.29Å; D266-A269 PolarHBondContact O-N 2.6Å; D266-A269 VanDerWaalsContact O-N 3.07Å; D266-T270 PolarHBondContact O-N 2.93Å; D266-K292 IonicContact OD1-NZ 2.56Å; D266-K292 PolarHBondContact OD1-NZ 3.4Å; D266-K292 IonicContact OD2-NZ 3.38Å; D266-K292 PolarHBondContact OD2-NZ 3.48Å; D266-K292 VanDerWaalsContact OD2-NZ 3.08Å; D266-H293 IonicContact OD1-NE2 2.73Å; D266-H293 IonicContact OD2-CE1 2.89Å; D266-H293 IonicContact OD2-NE2 3.86Å; D266-K296 IonicContact OD2-NZ 3.58Å; D266-K296 PolarHBondContact OD2-NZ 3.09Å | ||
| 267 | P | 91.9 | Very high | 90.7 | Very high | 99 Ų | 99 | 57.7 Ų | 57.7 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.1 | -36.8 | 178.1 | -26.3 | 35 | 0 | 0 | 0 | 113.1 | A269 T270 F271 | P267-A269 PolarHBondContact O-N 2.77Å; P267-T270 PolarHBondContact O-N 3.31Å; P267-T270 VanDerWaalsContact O-N 3.16Å; P267-F271 PolarHBondContact O-N 3.05Å |
| 268 | D | 91.1 | Very high | 90.1 | Very high | 42 Ų | 42 | 57 Ų | 57 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 178.5 | -65.7 | -36.6 | 0 | 0 | 0 | 110.5 | D266 F271 L272 I289 K292 F352 | D266-D268 PolarHBondContact O-N 3.17Å; D266-D268 WeakPolarHBondContact OD1-CB 3.49Å; D266-D268 PolarHBondContact OD1-N 2.8Å; D266-D268 VanDerWaalsContact OD1-N 3.1Å; D268-F271 PolarHBondContact O-N 3.44Å; D268-L272 WeakPolarHBondContact O-CB 3.36Å; D268-L272 PolarHBondContact O-N 3.33Å; D268-I289 HydrophobicContact CB-CG2 3.85Å; D268-K292 IonicContact OD2-NZ 3.2Å; D268-K292 PolarHBondContact OD2-NZ 3.24Å; D268-F352 HydrophobicContact CB-CE2 4.05Å; D268-F352 HydrophobicContact CB-CZ 4.13Å |
| 269 | A | 90.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.8 | -39.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | M255 Y264 D266 P267 F271 L272 I273 F352 | M255-A269 HydrophobicContact SD-CB 3.92Å; Y264-A269 HydrophobicContact CE1-CB 3.57Å; D266-A269 HydrophobicContact CB-CB 4.24Å; D266-A269 WeakPolarHBondContact O-CB 3.29Å; D266-A269 PolarHBondContact O-N 2.6Å; D266-A269 VanDerWaalsContact O-N 3.07Å; P267-A269 PolarHBondContact O-N 2.77Å; A269-F271 VanDerWaalsContact C-N 3.34Å; A269-L272 PolarHBondContact O-N 2.97Å; A269-I273 WeakPolarHBondContact O-CD1 3.32Å; A269-I273 WeakPolarHBondContact O-CG1 3.15Å; A269-I273 PolarHBondContact O-N 3.44Å; A269-F352 HydrophobicContact CB-CD2 3.86Å; A269-F352 HydrophobicContact CB-CE2 4.17Å |
| 270 | T | 91.2 | Very high | 88 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | K259 D266 P267 I273 A274 | K259-T270 PolarHBondContact NZ-OG1 3.17Å; D266-T270 PolarHBondContact O-N 2.93Å; P267-T270 PolarHBondContact O-N 3.31Å; P267-T270 VanDerWaalsContact O-N 3.16Å; T270-I273 PolarHBondContact O-N 3.48Å; T270-A274 WeakPolarHBondContact O-CB 3.45Å; T270-A274 PolarHBondContact O-N 2.78Å |
| 271 | F | 90.1 | Very high | 87.2 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60 | -47 | 174.1 | 176.1 | -89.6 | 0 | 0 | 0 | 111.4 | P267 D268 A269 I273 A274 N275 | P267-F271 PolarHBondContact O-N 3.05Å; D268-F271 PolarHBondContact O-N 3.44Å; A269-F271 VanDerWaalsContact C-N 3.34Å; F271-I273 VanDerWaalsContact C-N 3.3Å; F271-I273 PolarHBondContact O-N 3.24Å; F271-A274 PolarHBondContact O-N 2.89Å; F271-N275 WeakPolarHBondContact CD2-ND2 3.36Å; F271-N275 WeakPolarHBondContact CE1-ND2 3.43Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.17Å; F271-N275 WeakPolarHBondContact CG-ND2 3.35Å; F271-N275 WeakPolarHBondContact CZ-ND2 3.37Å; F271-N275 PolarHBondContact O-N 2.95Å; F271-N275 VanDerWaalsContact O-N 3.17Å; F271-N275 PolarHBondContact O-ND2 3.48Å |
| 272 | L | 90.5 | Very high | 86.6 | Confident | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.5 | -37.2 | -179.4 | -176.7 | 62.7 | 0 | 0 | 0 | 111.9 | D268 A269 I278 F352 L355 M356 K359 | D268-L272 WeakPolarHBondContact O-CB 3.36Å; D268-L272 PolarHBondContact O-N 3.33Å; A269-L272 PolarHBondContact O-N 2.97Å; L272-I278 HydrophobicContact CD1-CD1 4.25Å; L272-I278 HydrophobicContact CD1-CG1 4.38Å; L272-F352 HydrophobicContact CB-CE2 4.03Å; L272-F352 HydrophobicContact CD2-CD2 3.73Å; L272-F352 HydrophobicContact CD2-CE1 4.38Å; L272-F352 HydrophobicContact CD2-CE2 3.59Å; L272-F352 HydrophobicContact CD2-CG 4.19Å; L272-F352 HydrophobicContact CD2-CZ 3.92Å; L272-F352 HydrophobicContact CG-CE2 4.46Å; L272-L355 HydrophobicContact CD2-CB 4.07Å; L272-L355 HydrophobicContact CD2-CD2 3.82Å; L272-L355 HydrophobicContact CD2-CG 3.96Å; L272-L355 HydrophobicContact CG-CD2 3.81Å; L272-L355 HydrophobicContact CG-CG 4.11Å; L272-M356 HydrophobicContact CD1-CB 4.38Å; L272-M356 HydrophobicContact CD2-CB 4.11Å; L272-K359 HydrophobicContact CD1-CD 4.18Å; L272-K359 PolarHBondContact O-NZ 2.98Å |
| 273 | I | 91.2 | Very high | 86 | Confident | 34 Ų | 34 | 64 Ų | 64 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69 | -45.1 | 177.7 | -67.5 | 161.3 | 0 | 0 | 0 | 111.1 | A252 M255 A269 T270 F271 L355 | A252-I273 HydrophobicContact CB-CG2 4.19Å; M255-I273 HydrophobicContact CB-CD1 3.52Å; M255-I273 HydrophobicContact CB-CG1 4.43Å; M255-I273 HydrophobicContact CE-CD1 3.78Å; M255-I273 HydrophobicContact CE-CG1 3.5Å; M255-I273 HydrophobicContact CG-CD1 4.47Å; M255-I273 HydrophobicContact SD-CD1 4.28Å; A269-I273 WeakPolarHBondContact O-CD1 3.32Å; A269-I273 WeakPolarHBondContact O-CG1 3.15Å; A269-I273 PolarHBondContact O-N 3.44Å; T270-I273 PolarHBondContact O-N 3.48Å; F271-I273 VanDerWaalsContact C-N 3.3Å; F271-I273 PolarHBondContact O-N 3.24Å; I273-L355 HydrophobicContact CG1-CD2 4.45Å |
| 274 | A | 89.8 | Confident | 85.6 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 65% | 0.653 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.3 | -36.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T270 F271 | T270-A274 WeakPolarHBondContact O-CB 3.45Å; T270-A274 PolarHBondContact O-N 2.78Å; F271-A274 PolarHBondContact O-N 2.89Å |
| 275 | N | 85.1 | Confident | 85.4 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 33% | 0.326 | 38% | 0.375 | S | S | . | . | trans | -80.8 | 134.1 | -177.2 | -70.1 | -68.5 | 0 | 0 | 0 | 111.9 | F271 K359 | F271-N275 WeakPolarHBondContact CD2-ND2 3.36Å; F271-N275 WeakPolarHBondContact CE1-ND2 3.43Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.17Å; F271-N275 WeakPolarHBondContact CG-ND2 3.35Å; F271-N275 WeakPolarHBondContact CZ-ND2 3.37Å; F271-N275 PolarHBondContact O-N 2.95Å; F271-N275 VanDerWaalsContact O-N 3.17Å; F271-N275 PolarHBondContact O-ND2 3.48Å; N275-K359 PolarHBondContact O-NZ 2.82Å | ||
| 276 | K | 81.4 | Confident | 85.2 | Confident | 195 Ų | 195 | 68.7 Ų | 68.7 | 85% | 0.848 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -66.3 | -47.5 | 175.9 | -67.8 | -175.2 | 178.8 | -177.8 | 0 | 111.6 | ||
| 277 | T | 80.9 | Confident | 85 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -118.8 | 164.5 | -176.9 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 278 | I | 80.7 | Confident | 84.9 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | trans | -96.7 | 124.8 | 174.8 | -69 | 170.1 | 0 | 0 | 0 | 108.5 | L272 W280 M356 K359 C360 | L272-I278 HydrophobicContact CD1-CD1 4.25Å; L272-I278 HydrophobicContact CD1-CG1 4.38Å; I278-W280 PolarHBondContact O-N 3.41Å; I278-M356 HydrophobicContact CD1-CB 4.38Å; I278-M356 HydrophobicContact CD1-CG 3.66Å; I278-M356 WeakPolarHBondContact CD1-O 3.3Å; I278-K359 HydrophobicContact CD1-CB 3.67Å; I278-K359 HydrophobicContact CG1-CB 4.04Å; I278-C360 HydrophobicContact CD1-CB 4.48Å; I278-C360 WeakPolarHBondContact CD1-SG 3.48Å | ||
| 279 | C | 73.8 | Confident | 85 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 43% | 0.432 | 34% | 0.344 | S | S | . | . | trans | -77.7 | 107 | 179.6 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | K281 D282 H286 | C279-K281 PolarHBondContact O-N 3.47Å; C279-K281 VanDerWaalsContact O-N 3.11Å; C279-D282 PolarHBondContact O-N 3.36Å; C279-D282 VanDerWaalsContact O-N 3.07Å; C279-H286 PolarHBondContact O-CD2 3.01Å; C279-H286 PolarHBondContact O-NE2 3.1Å | ||
| 280 | W | 71.6 | Confident | 85 | Confident | 74 Ų | 74 | 70.7 Ų | 70.7 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -62.2 | -18 | 179.1 | -67.9 | 99 | 0 | 0 | 0 | 114.4 | L49 I278 D282 Y283 C360 D363 | L49-W280 HydrophobicContact CD2-CH2 4.24Å; L49-W280 HydrophobicContact CD2-CZ3 4.26Å; I278-W280 PolarHBondContact O-N 3.41Å; W280-D282 PolarHBondContact O-N 2.85Å; W280-Y283 HydrophobicContact CE3-CD2 4.07Å; W280-Y283 HydrophobicContact CZ3-CD2 4.01Å; W280-Y283 HydrophobicContact CZ3-CE2 4.28Å; W280-Y283 WeakPolarHBondContact O-CB 3.31Å; W280-Y283 PolarHBondContact O-N 2.95Å; W280-Y283 VanDerWaalsContact O-N 3.15Å; W280-C360 HydrophobicContact CH2-CB 4.15Å; W280-C360 HydrophobicContact CZ2-CB 3.96Å; W280-D363 PolarHBondContact NE1-OD2 3.3Å |
| 281 | K | 75.4 | Confident | 85.1 | Confident | 196 Ų | 196 | 74.5 Ų | 74.5 | 85% | 0.852 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -58.5 | -30 | 173.1 | -61.9 | -174.6 | 177.1 | -176.4 | 0 | 111.8 | C279 | C279-K281 PolarHBondContact O-N 3.47Å; C279-K281 VanDerWaalsContact O-N 3.11Å |
| 282 | D | 80.1 | Confident | 85.3 | Confident | 63 Ų | 63 | 73.4 Ų | 73.4 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -97.2 | 24.6 | -179.5 | -87.6 | 2.5 | 0 | 0 | 0 | 112.8 | C279 W280 Q284 K285 H286 | C279-D282 PolarHBondContact O-N 3.36Å; C279-D282 VanDerWaalsContact O-N 3.07Å; W280-D282 PolarHBondContact O-N 2.85Å; D282-Q284 VanDerWaalsContact C-N 3.32Å; D282-Q284 PolarHBondContact O-N 3.27Å; D282-Q284 VanDerWaalsContact O-N 3.14Å; D282-K285 HydrophobicContact CB-CB 4.26Å; D282-K285 HydrophobicContact CB-CD 4.24Å; D282-K285 WeakPolarHBondContact O-CA 3.31Å; D282-K285 WeakPolarHBondContact O-CB 3.43Å; D282-K285 PolarHBondContact O-N 3.02Å; D282-K285 WeakPolarHBondContact OD2-CD 3.44Å; D282-K285 IonicContact OD2-NZ 2.7Å; D282-K285 PolarHBondContact OD2-NZ 3.25Å; D282-H286 PolarHBondContact O-CD2 3.32Å; D282-H286 PolarHBondContact O-N 3.43Å |
| 283 | Y | 79.2 | Confident | 85.4 | Confident | 59 Ų | 59 | 73 Ų | 73 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -47.1 | -49.2 | -174.1 | 176 | -103.3 | 0 | 0 | 0 | 114 | L49 W280 K285 H286 L287 | L49-Y283 HydrophobicContact CB-CE2 3.99Å; L49-Y283 HydrophobicContact CD2-CE2 4.31Å; L49-Y283 VanDerWaalsContact O-CE2 3.27Å; L49-Y283 WeakPolarHBondContact O-CE2 3.44Å; L49-Y283 PolarHBondContact O-OH 2.94Å; W280-Y283 HydrophobicContact CE3-CD2 4.07Å; W280-Y283 HydrophobicContact CZ3-CD2 4.01Å; W280-Y283 HydrophobicContact CZ3-CE2 4.28Å; W280-Y283 WeakPolarHBondContact O-CB 3.31Å; W280-Y283 PolarHBondContact O-N 2.95Å; W280-Y283 VanDerWaalsContact O-N 3.15Å; Y283-K285 VanDerWaalsContact C-N 3.26Å; Y283-K285 PolarHBondContact O-N 2.81Å; Y283-H286 PolarHBondContact O-N 3.32Å; Y283-L287 HydrophobicContact CE1-CD2 4.15Å; Y283-L287 WeakPolarHBondContact O-CB 3.49Å; Y283-L287 PolarHBondContact O-N 3.32Å |
| 284 | Q | 86.5 | Confident | 85.5 | Confident | 119 Ų | 119 | 72.6 Ų | 72.6 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.7 | -29.6 | -179.9 | -70 | -63.2 | -19.3 | 0 | 0 | 113.2 | D282 R288 | D282-Q284 VanDerWaalsContact C-N 3.32Å; D282-Q284 PolarHBondContact O-N 3.27Å; D282-Q284 VanDerWaalsContact O-N 3.14Å; Q284-R288 VanDerWaalsContact O-CG 3.31Å; Q284-R288 WeakPolarHBondContact O-CG 3.47Å; Q284-R288 PolarHBondContact O-N 3.05Å; Q284-R288 PolarHBondContact O-NE 3.11Å |
| 285 | K | 88.5 | Confident | 85.6 | Confident | 83 Ų | 83 | 74.7 Ų | 74.7 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.5 | -46.7 | 174.2 | 173.5 | -175.6 | 165.9 | -165.9 | 0 | 110.1 | D282 Y283 L287 R288 I289 | D282-K285 HydrophobicContact CB-CB 4.26Å; D282-K285 HydrophobicContact CB-CD 4.24Å; D282-K285 WeakPolarHBondContact O-CA 3.31Å; D282-K285 WeakPolarHBondContact O-CB 3.43Å; D282-K285 PolarHBondContact O-N 3.02Å; D282-K285 WeakPolarHBondContact OD2-CD 3.44Å; D282-K285 IonicContact OD2-NZ 2.7Å; D282-K285 PolarHBondContact OD2-NZ 3.25Å; Y283-K285 VanDerWaalsContact C-N 3.26Å; Y283-K285 PolarHBondContact O-N 2.81Å; K285-L287 VanDerWaalsContact C-N 3.32Å; K285-L287 PolarHBondContact O-N 3.33Å; K285-R288 PolarHBondContact O-N 3.39Å; K285-I289 HydrophobicContact CG-CD1 3.95Å; K285-I289 VanDerWaalsContact O-CG1 3.3Å; K285-I289 WeakPolarHBondContact O-CG1 3.49Å; K285-I289 PolarHBondContact O-N 3.25Å |
| 286 | H | 86.6 | Confident | 86.1 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 176 | -68.6 | -49.8 | 0 | 0 | 0 | 112.3 | C279 D282 Y283 R288 I289 L290 M356 | C279-H286 PolarHBondContact O-CD2 3.01Å; C279-H286 PolarHBondContact O-NE2 3.1Å; D282-H286 PolarHBondContact O-CD2 3.32Å; D282-H286 PolarHBondContact O-N 3.43Å; Y283-H286 PolarHBondContact O-N 3.32Å; H286-R288 PolarHBondContact O-N 3.17Å; H286-I289 PolarHBondContact O-N 3.19Å; H286-L290 WeakPolarHBondContact O-CB 3.39Å; H286-L290 PolarHBondContact O-N 3.14Å; H286-M356 HydrophobicContact CB-SD 4.4Å |
| 287 | L | 88.1 | Confident | 86.5 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176.5 | -172.4 | 63.4 | 0 | 0 | 0 | 112.5 | L49 Y283 K285 L290 R291 | L49-L287 HydrophobicContact CD1-CD1 4.07Å; Y283-L287 HydrophobicContact CE1-CD2 4.15Å; Y283-L287 WeakPolarHBondContact O-CB 3.49Å; Y283-L287 PolarHBondContact O-N 3.32Å; K285-L287 VanDerWaalsContact C-N 3.32Å; K285-L287 PolarHBondContact O-N 3.33Å; L287-L290 PolarHBondContact O-N 2.72Å; L287-R291 WeakPolarHBondContact O-CG 3.5Å; L287-R291 PolarHBondContact O-N 3.46Å |
| 288 | R | 91.7 | Very high | 86.9 | Confident | 164 Ų | 164 | 67.3 Ų | 67.3 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 174.4 | -79.5 | -176.6 | -72.4 | 165.3 | -4.8 | 111.9 | Q284 K285 H286 R291 K292 | Q284-R288 VanDerWaalsContact O-CG 3.31Å; Q284-R288 WeakPolarHBondContact O-CG 3.47Å; Q284-R288 PolarHBondContact O-N 3.05Å; Q284-R288 PolarHBondContact O-NE 3.11Å; K285-R288 PolarHBondContact O-N 3.39Å; H286-R288 PolarHBondContact O-N 3.17Å; R288-R291 PolarHBondContact O-N 3.36Å; R288-K292 WeakPolarHBondContact O-CB 3.48Å; R288-K292 PolarHBondContact O-N 3.49Å |
| 289 | I | 91.4 | Very high | 87.4 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 176.9 | -64.7 | 166.3 | 0 | 0 | 0 | 110.1 | D268 K285 H286 R291 K292 H293 F352 M356 | D268-I289 HydrophobicContact CB-CG2 3.85Å; K285-I289 HydrophobicContact CG-CD1 3.95Å; K285-I289 VanDerWaalsContact O-CG1 3.3Å; K285-I289 WeakPolarHBondContact O-CG1 3.49Å; K285-I289 PolarHBondContact O-N 3.25Å; H286-I289 PolarHBondContact O-N 3.19Å; I289-R291 PolarHBondContact O-N 2.95Å; I289-K292 WeakPolarHBondContact O-CB 3.36Å; I289-K292 PolarHBondContact O-N 2.77Å; I289-K292 VanDerWaalsContact O-N 3.17Å; I289-H293 PolarHBondContact O-CD2 3.41Å; I289-H293 PolarHBondContact O-N 3.09Å; I289-F352 HydrophobicContact CG2-CE1 3.65Å; I289-F352 HydrophobicContact CG2-CE2 4.5Å; I289-F352 HydrophobicContact CG2-CZ 3.38Å; I289-M356 HydrophobicContact CG2-CE 4.16Å |
| 290 | L | 91.5 | Very high | 88.2 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 177.6 | -173.9 | 65.1 | 0 | 0 | 0 | 111.6 | L49 H286 L287 K292 H293 Q294 E353 M356 | L49-L290 HydrophobicContact CD1-CD2 3.68Å; H286-L290 WeakPolarHBondContact O-CB 3.39Å; H286-L290 PolarHBondContact O-N 3.14Å; L287-L290 PolarHBondContact O-N 2.72Å; L290-K292 VanDerWaalsContact C-N 3.34Å; L290-K292 PolarHBondContact O-N 2.79Å; L290-H293 PolarHBondContact O-N 3.37Å; L290-Q294 WeakPolarHBondContact O-CG 3.42Å; L290-Q294 PolarHBondContact O-N 3.16Å; L290-E353 HydrophobicContact CD1-CB 3.87Å; L290-E353 HydrophobicContact CD1-CG 3.83Å; L290-M356 HydrophobicContact CB-SD 4.01Å; L290-M356 HydrophobicContact CD1-SD 4.18Å |
| 291 | R | 92.5 | Very high | 88.8 | Confident | 134 Ų | 134 | 67.9 Ų | 67.9 | 51% | 0.506 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 176.4 | -71.9 | 175.6 | -174.4 | 165.2 | 1.2 | 112.7 | L287 R288 I289 Q294 H295 | L287-R291 WeakPolarHBondContact O-CG 3.5Å; L287-R291 PolarHBondContact O-N 3.46Å; R288-R291 PolarHBondContact O-N 3.36Å; I289-R291 PolarHBondContact O-N 2.95Å; R291-Q294 PolarHBondContact O-N 3.18Å; R291-H295 WeakPolarHBondContact O-CB 3.42Å; R291-H295 PolarHBondContact O-N 3.38Å |
| 292 | K | 94.3 | Very high | 89.2 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 174.3 | 171.5 | -158.6 | 176.8 | -149 | 0 | 110.7 | D266 D268 R288 I289 L290 H295 K296 | D266-K292 IonicContact OD1-NZ 2.56Å; D266-K292 PolarHBondContact OD1-NZ 3.4Å; D266-K292 IonicContact OD2-NZ 3.38Å; D266-K292 PolarHBondContact OD2-NZ 3.48Å; D266-K292 VanDerWaalsContact OD2-NZ 3.08Å; D268-K292 IonicContact OD2-NZ 3.2Å; D268-K292 PolarHBondContact OD2-NZ 3.24Å; R288-K292 WeakPolarHBondContact O-CB 3.48Å; R288-K292 PolarHBondContact O-N 3.49Å; I289-K292 WeakPolarHBondContact O-CB 3.36Å; I289-K292 PolarHBondContact O-N 2.77Å; I289-K292 VanDerWaalsContact O-N 3.17Å; L290-K292 VanDerWaalsContact C-N 3.34Å; L290-K292 PolarHBondContact O-N 2.79Å; K292-H295 PolarHBondContact O-N 3.02Å; K292-K296 WeakPolarHBondContact O-CG 3.44Å; K292-K296 PolarHBondContact O-N 3.27Å |
| 293 | H | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.7 | -38.8 | -179.2 | -75.9 | -111.8 | 0 | 0 | 0 | 112.2 | Y264 D266 I289 L290 H295 K296 R297 H349 F352 E353 | Y264-H293 PolarHBondContact OH-CE1 3.14Å; Y264-H293 PolarHBondContact OH-ND1 3.15Å; D266-H293 IonicContact OD1-NE2 2.73Å; D266-H293 IonicContact OD2-CE1 2.89Å; D266-H293 IonicContact OD2-NE2 3.86Å; I289-H293 PolarHBondContact O-CD2 3.41Å; I289-H293 PolarHBondContact O-N 3.09Å; L290-H293 PolarHBondContact O-N 3.37Å; H293-H295 VanDerWaalsContact C-N 3.34Å; H293-H295 PolarHBondContact O-N 2.81Å; H293-K296 PolarHBondContact O-N 3.09Å; H293-R297 WeakPolarHBondContact O-CB 3.28Å; H293-R297 PolarHBondContact O-N 3.34Å; H293-H349 AromaticContact CE1-ND1 3.79Å; H293-H349 AromaticContact CG-ND1 3.66Å; H293-H349 AromaticContact ND1-CE1 3.75Å; H293-H349 AromaticContact ND1-ND1 3.07Å; H293-H349 PolarHBondContact ND1-ND1 3.2Å; H293-F352 HydrophobicContact CB-CD1 3.66Å; H293-F352 HydrophobicContact CB-CE1 4.17Å; H293-F352 HydrophobicContact CB-CG 4.4Å; H293-F352 AromaticContact CD2-CD1 3.86Å; H293-F352 AromaticContact CD2-CE1 3.7Å; H293-F352 AromaticContact CE1-CD1 3.85Å; H293-F352 AromaticContact CE1-CD2 3.63Å; H293-F352 AromaticContact CE1-CE2 3.84Å; H293-F352 AromaticContact CE1-CG 3.64Å; H293-F352 AromaticContact CG-CD1 3.3Å; H293-F352 AromaticContact CG-CE1 3.63Å; H293-F352 AromaticContact CG-CG 3.78Å; H293-F352 AromaticContact ND1-CD1 3.29Å; H293-F352 VanDerWaalsContact ND1-CD1 3.29Å; H293-F352 WeakPolarHBondContact ND1-CD1 3.44Å; H293-F352 AromaticContact ND1-CD2 3.72Å; H293-F352 AromaticContact ND1-CE1 3.87Å; H293-F352 AromaticContact ND1-CG 3.22Å; H293-F352 WeakPolarHBondContact ND1-CG 3.43Å; H293-F352 AromaticContact NE2-CZ 3.98Å; H293-E353 HydrophobicContact CB-CG 4.26Å |
| 294 | Q | 92.3 | Very high | 89.6 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.4 | -47.2 | 171.1 | -76.4 | 174.2 | -15.2 | 0 | 0 | 112.3 | L290 R291 R297 Q298 E353 | L290-Q294 WeakPolarHBondContact O-CG 3.42Å; L290-Q294 PolarHBondContact O-N 3.16Å; R291-Q294 PolarHBondContact O-N 3.18Å; Q294-R297 PolarHBondContact O-N 3.34Å; Q294-Q298 WeakPolarHBondContact O-CG 3.39Å; Q294-Q298 PolarHBondContact O-N 3.43Å; Q294-E353 VanDerWaalsContact CA-OE1 3.22Å; Q294-E353 WeakPolarHBondContact CA-OE1 3.42Å; Q294-E353 HydrophobicContact CG-CG 4Å; Q294-E353 VanDerWaalsContact CG-OE2 3.23Å; Q294-E353 WeakPolarHBondContact CG-OE2 3.44Å; Q294-E353 PolarHBondContact N-OE1 3.36Å |
| 295 | H | 93.6 | Very high | 89.2 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 57% | 0.569 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.2 | -43.8 | 178.2 | -178.6 | 61.5 | 0 | 0 | 0 | 112.3 | R291 K292 H293 Q298 T299 | R291-H295 WeakPolarHBondContact O-CB 3.42Å; R291-H295 PolarHBondContact O-N 3.38Å; K292-H295 PolarHBondContact O-N 3.02Å; H293-H295 VanDerWaalsContact C-N 3.34Å; H293-H295 PolarHBondContact O-N 2.81Å; H295-Q298 PolarHBondContact O-N 3.39Å; H295-T299 WeakPolarHBondContact O-CB 3.25Å; H295-T299 PolarHBondContact O-N 3.33Å; H295-T299 PolarHBondContact O-OG1 2.72Å |
| 296 | K | 93.9 | Very high | 88.7 | Confident | 73 Ų | 73 | 67.3 Ų | 67.3 | 32% | 0.317 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.9 | -73.4 | -177.8 | 178.6 | -172.7 | 0 | 111.5 | D266 K292 H293 T299 L300 H349 | D266-K296 IonicContact OD2-NZ 3.58Å; D266-K296 PolarHBondContact OD2-NZ 3.09Å; K292-K296 WeakPolarHBondContact O-CG 3.44Å; K292-K296 PolarHBondContact O-N 3.27Å; H293-K296 PolarHBondContact O-N 3.09Å; K296-T299 PolarHBondContact O-N 3.35Å; K296-L300 WeakPolarHBondContact O-CG 3.37Å; K296-L300 PolarHBondContact O-N 3.03Å; K296-H349 WeakPolarHBondContact CD-CE1 3.37Å |
| 297 | R | 91.7 | Very high | 88 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 176.1 | -176.1 | -178.1 | 57.4 | 162.9 | -7.7 | 111.6 | H293 Q294 T299 L300 L301 Y346 H349 E353 | H293-R297 WeakPolarHBondContact O-CB 3.28Å; H293-R297 PolarHBondContact O-N 3.34Å; Q294-R297 PolarHBondContact O-N 3.34Å; R297-T299 VanDerWaalsContact C-N 3.34Å; R297-T299 PolarHBondContact O-N 2.94Å; R297-L300 PolarHBondContact O-N 2.94Å; R297-L301 WeakPolarHBondContact O-CB 3.44Å; R297-L301 PolarHBondContact O-N 3.27Å; R297-Y346 HydrophobicContact CG-CD2 3.62Å; R297-Y346 HydrophobicContact CG-CE2 3.45Å; R297-Y346 VanDerWaalsContact CG-CE2 3.45Å; R297-H349 HydrophobicContact CB-CB 3.8Å; R297-E353 WeakPolarHBondContact CD-OE1 3.41Å; R297-E353 IonicContact CZ-OE1 2.65Å; R297-E353 VanDerWaalsContact CZ-OE1 3.26Å; R297-E353 IonicContact CZ-OE2 3.64Å; R297-E353 IonicContact NE-OE1 3.05Å; R297-E353 PolarHBondContact NE-OE1 2.89Å; R297-E353 IonicContact NE-OE2 2.78Å; R297-E353 IonicContact NH1-OE2 3.85Å; R297-E353 IonicContact NH2-OE1 3.53Å; R297-E353 PolarHBondContact NH2-OE1 3.46Å; R297-E353 IonicContact NH2-OE2 3.26Å; R297-E353 PolarHBondContact NH2-OE2 3.33Å |
| 298 | Q | 89.1 | Confident | 86.8 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 178 | -73.7 | 174.8 | -4.4 | 0 | 0 | 111.9 | Q294 H295 L300 L301 M302 | Q294-Q298 WeakPolarHBondContact O-CG 3.39Å; Q294-Q298 PolarHBondContact O-N 3.43Å; H295-Q298 PolarHBondContact O-N 3.39Å; Q298-L300 PolarHBondContact O-N 3.15Å; Q298-L301 WeakPolarHBondContact O-CB 3.37Å; Q298-L301 PolarHBondContact O-N 3.43Å; Q298-M302 WeakPolarHBondContact O-CG 3.43Å; Q298-M302 PolarHBondContact O-N 3.47Å |
| 299 | T | 91.2 | Very high | 85.1 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 46% | 0.46 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | H295 K296 R297 M302 R303 | H295-T299 WeakPolarHBondContact O-CB 3.25Å; H295-T299 PolarHBondContact O-N 3.33Å; H295-T299 PolarHBondContact O-OG1 2.72Å; K296-T299 PolarHBondContact O-N 3.35Å; R297-T299 VanDerWaalsContact C-N 3.34Å; R297-T299 PolarHBondContact O-N 2.94Å; T299-M302 PolarHBondContact O-N 2.92Å; T299-R303 PolarHBondContact O-N 2.73Å |
| 300 | L | 89.3 | Confident | 83.2 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 175.1 | -74.8 | 163 | 0 | 0 | 0 | 112.3 | K296 R297 Q298 R303 L304 N342 L345 | K296-L300 WeakPolarHBondContact O-CG 3.37Å; K296-L300 PolarHBondContact O-N 3.03Å; R297-L300 PolarHBondContact O-N 2.94Å; Q298-L300 PolarHBondContact O-N 3.15Å; L300-R303 PolarHBondContact O-N 2.7Å; L300-L304 WeakPolarHBondContact O-CB 3.13Å; L300-L304 VanDerWaalsContact O-CG 3.28Å; L300-L304 WeakPolarHBondContact O-CG 3.24Å; L300-L304 PolarHBondContact O-N 3.43Å; L300-N342 HydrophobicContact CD2-CB 4.43Å; L300-L345 HydrophobicContact CD1-CB 3.76Å; L300-L345 HydrophobicContact CD2-CB 4.32Å |
| 301 | L | 85.4 | Confident | 81.3 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.8 | -177.1 | 61.6 | 0 | 0 | 0 | 111.6 | R297 Q298 L304 K305 Y346 | R297-L301 WeakPolarHBondContact O-CB 3.44Å; R297-L301 PolarHBondContact O-N 3.27Å; Q298-L301 WeakPolarHBondContact O-CB 3.37Å; Q298-L301 PolarHBondContact O-N 3.43Å; L301-L304 PolarHBondContact O-N 2.93Å; L301-K305 WeakPolarHBondContact O-CG 3.33Å; L301-K305 PolarHBondContact O-N 3.44Å; L301-Y346 HydrophobicContact CB-CD2 4.07Å; L301-Y346 HydrophobicContact CB-CE2 3.87Å; L301-Y346 HydrophobicContact CD1-CE2 3.98Å; L301-Y346 HydrophobicContact CD2-CE2 4.45Å; L301-Y346 HydrophobicContact CG-CE2 4.31Å |
| 302 | M | 83.7 | Confident | 79.5 | Confident | 121 Ų | 121 | 74.2 Ų | 74.2 | 60% | 0.596 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 176.1 | -67 | -57.2 | -68.3 | 0 | 0 | 111.4 | Q298 T299 K305 V306 | Q298-M302 WeakPolarHBondContact O-CG 3.43Å; Q298-M302 PolarHBondContact O-N 3.47Å; T299-M302 PolarHBondContact O-N 2.92Å; M302-K305 PolarHBondContact O-N 3.44Å; M302-K305 HydrophobicContact SD-CD 4.47Å; M302-V306 WeakPolarHBondContact O-CG2 3.28Å; M302-V306 PolarHBondContact O-N 2.91Å; M302-V306 VanDerWaalsContact O-N 3.17Å |
| 303 | R | 84.5 | Confident | 77.5 | Confident | 141 Ų | 141 | 77.1 Ų | 77.1 | 53% | 0.532 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.8 | -176.5 | 176.2 | -177 | 172.8 | 4.5 | 112 | T299 L300 K305 V306 D307 N342 | T299-R303 PolarHBondContact O-N 2.73Å; L300-R303 PolarHBondContact O-N 2.7Å; R303-K305 VanDerWaalsContact C-N 3.33Å; R303-K305 PolarHBondContact O-N 3.45Å; R303-V306 PolarHBondContact O-N 3.43Å; R303-D307 WeakPolarHBondContact CG-OD2 3.46Å; R303-D307 IonicContact NE-OD2 3.2Å; R303-D307 WeakPolarHBondContact O-CB 3.26Å; R303-D307 VanDerWaalsContact O-CG 3.31Å; R303-D307 PolarHBondContact O-N 3.28Å; R303-N342 PolarHBondContact NE-ND2 3.17Å |
| 304 | L | 81.6 | Confident | 75.6 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 176.1 | -76.8 | 166.9 | 0 | 0 | 0 | 111.1 | L300 L301 V306 D307 C308 I339 N342 E343 Y346 | L300-L304 WeakPolarHBondContact O-CB 3.13Å; L300-L304 VanDerWaalsContact O-CG 3.28Å; L300-L304 WeakPolarHBondContact O-CG 3.24Å; L300-L304 PolarHBondContact O-N 3.43Å; L301-L304 PolarHBondContact O-N 2.93Å; L304-V306 VanDerWaalsContact C-N 3.29Å; L304-V306 PolarHBondContact O-N 3.02Å; L304-D307 CarbonylContact O-C 3.59Å; L304-D307 PolarHBondContact O-N 3.41Å; L304-C308 WeakPolarHBondContact O-CA 3.45Å; L304-C308 WeakPolarHBondContact O-CB 3.28Å; L304-C308 PolarHBondContact O-N 3.28Å; L304-C308 PolarHBondContact O-SG 2.95Å; L304-I339 HydrophobicContact CD2-CG2 4.19Å; L304-N342 HydrophobicContact CD2-CB 3.74Å; L304-N342 HydrophobicContact CG-CB 4.2Å; L304-E343 HydrophobicContact CD2-CB 4.33Å; L304-Y346 HydrophobicContact CD1-CG 4.16Å |
| 305 | K | 78.4 | Confident | 74.2 | Confident | 124 Ų | 124 | 78.5 Ų | 78.5 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 174.7 | -74.9 | 175.2 | 178.4 | -174.3 | 0 | 112.5 | L301 M302 R303 | L301-K305 WeakPolarHBondContact O-CG 3.33Å; L301-K305 PolarHBondContact O-N 3.44Å; M302-K305 PolarHBondContact O-N 3.44Å; M302-K305 HydrophobicContact SD-CD 4.47Å; R303-K305 VanDerWaalsContact C-N 3.33Å; R303-K305 PolarHBondContact O-N 3.45Å |
| 306 | V | 78.3 | Confident | 72.5 | Confident | 107 Ų | 107 | 78.1 Ų | 78.1 | 65% | 0.648 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.4 | -40.3 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | M302 R303 L304 | M302-V306 WeakPolarHBondContact O-CG2 3.28Å; M302-V306 PolarHBondContact O-N 2.91Å; M302-V306 VanDerWaalsContact O-N 3.17Å; R303-V306 PolarHBondContact O-N 3.43Å; L304-V306 VanDerWaalsContact C-N 3.29Å; L304-V306 PolarHBondContact O-N 3.02Å |
| 307 | D | 72 | Confident | 70.5 | Confident | 35 Ų | 35 | 76 Ų | 76 | 19% | 0.187 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -75.9 | -30.7 | -179.1 | -69.6 | -21.9 | 0 | 0 | 0 | 112.1 | R303 L304 A310 I339 N342 | R303-D307 WeakPolarHBondContact CG-OD2 3.46Å; R303-D307 IonicContact NE-OD2 3.2Å; R303-D307 WeakPolarHBondContact O-CB 3.26Å; R303-D307 VanDerWaalsContact O-CG 3.31Å; R303-D307 PolarHBondContact O-N 3.28Å; L304-D307 CarbonylContact O-C 3.59Å; L304-D307 PolarHBondContact O-N 3.41Å; D307-A310 WeakPolarHBondContact O-CB 3.32Å; D307-A310 PolarHBondContact O-N 3.06Å; D307-A310 VanDerWaalsContact O-N 3.17Å; D307-I339 HydrophobicContact CB-CD1 4.43Å; D307-I339 HydrophobicContact CB-CG1 4.14Å; D307-N342 PolarHBondContact OD2-ND2 3.32Å |
| 308 | C | 62.7 | Low | 68.8 | Low | 38 Ų | 38 | 80.4 Ų | 80.4 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -92.1 | 5.2 | -172.1 | -69 | 0 | 0 | 0 | 0 | 115 | L304 A310 E311 | L304-C308 WeakPolarHBondContact O-CA 3.45Å; L304-C308 WeakPolarHBondContact O-CB 3.28Å; L304-C308 PolarHBondContact O-N 3.28Å; L304-C308 PolarHBondContact O-SG 2.95Å; C308-A310 PolarHBondContact O-N 3.5Å; C308-E311 HydrophobicContact CB-CG 4.2Å; C308-E311 PolarHBondContact O-N 3.2Å |
| 309 | D | 56.6 | Low | 67.4 | Low | 139 Ų | 139 | 85.2 Ų | 85.2 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -54.9 | -12.6 | 147.1 | -72.4 | -22.6 | 0 | 0 | 0 | 110.3 | ||
| 310 | A | 50.9 | Low | 65.4 | Low | 5 Ų | 5 | 85 Ų | 85 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -83.6 | 6.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | D307 C308 E312 R313 I314 I339 | D307-A310 WeakPolarHBondContact O-CB 3.32Å; D307-A310 PolarHBondContact O-N 3.06Å; D307-A310 VanDerWaalsContact O-N 3.17Å; C308-A310 PolarHBondContact O-N 3.5Å; A310-E312 PolarHBondContact O-N 3.02Å; A310-R313 HydrophobicContact CB-CB 4.18Å; A310-R313 HydrophobicContact CB-CG 4.48Å; A310-R313 CarbonylContact O-C 3.59Å; A310-R313 WeakPolarHBondContact O-CA 3.36Å; A310-R313 WeakPolarHBondContact O-CB 3.28Å; A310-R313 PolarHBondContact O-N 2.94Å; A310-I314 PolarHBondContact O-N 3.07Å; A310-I339 HydrophobicContact CB-CD1 4.08Å |
| 311 | E | 51 | Low | 63.2 | Low | 119 Ų | 119 | 89.6 Ų | 89.6 | 56% | 0.556 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.7 | -34.9 | 173.3 | -89 | -149.2 | 148.4 | 0 | 0 | 111.8 | C308 R313 I314 A315 | C308-E311 HydrophobicContact CB-CG 4.2Å; C308-E311 PolarHBondContact O-N 3.2Å; E311-R313 VanDerWaalsContact C-N 3.29Å; E311-R313 PolarHBondContact O-N 3.11Å; E311-I314 PolarHBondContact O-N 3.18Å; E311-A315 WeakPolarHBondContact O-CB 3.46Å; E311-A315 PolarHBondContact O-N 3.47Å |
| 312 | E | 55.8 | Low | 61.6 | Low | 158 Ų | 158 | 90.5 Ų | 90.5 | 74% | 0.738 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.1 | -43.5 | 169 | -129 | 173.8 | -173.7 | 0 | 0 | 111 | A310 A315 E316 | A310-E312 PolarHBondContact O-N 3.02Å; E312-A315 WeakPolarHBondContact O-CB 3.4Å; E312-A315 PolarHBondContact O-N 3.07Å; E312-E316 WeakPolarHBondContact O-CG 3.47Å; E312-E316 PolarHBondContact O-N 2.99Å |
| 313 | R | 52.3 | Low | 59.6 | Low | 132 Ų | 132 | 92.5 Ų | 92.5 | 50% | 0.498 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.4 | -31.8 | 177.2 | -59.5 | -175.4 | -170.7 | -160.5 | -0.1 | 113.3 | A310 E311 A315 E316 L317 | A310-R313 HydrophobicContact CB-CB 4.18Å; A310-R313 HydrophobicContact CB-CG 4.48Å; A310-R313 CarbonylContact O-C 3.59Å; A310-R313 WeakPolarHBondContact O-CA 3.36Å; A310-R313 WeakPolarHBondContact O-CB 3.28Å; A310-R313 PolarHBondContact O-N 2.94Å; E311-R313 VanDerWaalsContact C-N 3.29Å; E311-R313 PolarHBondContact O-N 3.11Å; R313-A315 VanDerWaalsContact C-N 3.34Å; R313-E316 WeakPolarHBondContact O-CB 3.46Å; R313-E316 PolarHBondContact O-N 3.44Å; R313-L317 WeakPolarHBondContact O-CB 3.43Å; R313-L317 VanDerWaalsContact O-CG 3.28Å; R313-L317 WeakPolarHBondContact O-CG 3.25Å; R313-L317 PolarHBondContact O-N 3.07Å |
| 314 | I | 53.9 | Low | 57.9 | Low | 17 Ų | 17 | 92.9 Ų | 92.9 | 9% | 0.087 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -69.2 | -38 | 172.1 | -67.2 | 173 | 0 | 0 | 0 | 109.7 | A310 E311 E316 L317 R318 I339 | A310-I314 PolarHBondContact O-N 3.07Å; E311-I314 PolarHBondContact O-N 3.18Å; I314-E316 VanDerWaalsContact C-N 3.33Å; I314-L317 PolarHBondContact O-N 3.3Å; I314-R318 WeakPolarHBondContact O-CG 3.23Å; I314-R318 PolarHBondContact O-N 3.08Å; I314-I339 HydrophobicContact CD1-CD1 4.29Å; I314-I339 HydrophobicContact CD1-CG2 4.02Å |
| 315 | A | 61.4 | Low | 56.2 | Low | 37 Ų | 37 | 98.9 Ų | 98.9 | 31% | 0.306 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E311 E312 R313 R318 | E311-A315 WeakPolarHBondContact O-CB 3.46Å; E311-A315 PolarHBondContact O-N 3.47Å; E312-A315 WeakPolarHBondContact O-CB 3.4Å; E312-A315 PolarHBondContact O-N 3.07Å; R313-A315 VanDerWaalsContact C-N 3.34Å; A315-R318 PolarHBondContact O-N 2.82Å |
| 316 | E | 57.8 | Low | 54.7 | Low | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 170.4 | -72.6 | 175.8 | 164.3 | 0 | 0 | 112.4 | E312 R313 I314 R318 K319 | E312-E316 WeakPolarHBondContact O-CG 3.47Å; E312-E316 PolarHBondContact O-N 2.99Å; R313-E316 WeakPolarHBondContact O-CB 3.46Å; R313-E316 PolarHBondContact O-N 3.44Å; I314-E316 VanDerWaalsContact C-N 3.33Å; E316-R318 VanDerWaalsContact C-N 3.25Å; E316-R318 PolarHBondContact O-N 3.4Å; E316-K319 WeakPolarHBondContact O-CB 3.41Å; E316-K319 PolarHBondContact O-N 3.04Å |
| 317 | L | 53.4 | Low | 53.2 | Low | 29 Ų | 29 | 100.9 Ų | 100.9 | 15% | 0.152 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -62.5 | -30.9 | 176.5 | -74.8 | 166 | 0 | 0 | 0 | 113 | R313 I314 K319 L320 D332 A336 | R313-L317 WeakPolarHBondContact O-CB 3.43Å; R313-L317 VanDerWaalsContact O-CG 3.28Å; R313-L317 WeakPolarHBondContact O-CG 3.25Å; R313-L317 PolarHBondContact O-N 3.07Å; I314-L317 PolarHBondContact O-N 3.3Å; L317-K319 PolarHBondContact O-N 3.2Å; L317-L320 HydrophobicContact CD2-CD1 4.18Å; L317-L320 PolarHBondContact O-N 3.1Å; L317-D332 HydrophobicContact CD1-CB 4.24Å; L317-D332 HydrophobicContact CD2-CB 3.79Å; L317-A336 HydrophobicContact CD1-CB 3.76Å |
| 318 | R | 55.8 | Low | 51.8 | Low | 125 Ų | 125 | 106.1 Ų | 106.1 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -24.1 | 172.5 | -73.2 | 175.5 | -170.3 | 153.9 | -3.8 | 113 | I314 A315 E316 | I314-R318 WeakPolarHBondContact O-CG 3.23Å; I314-R318 PolarHBondContact O-N 3.08Å; A315-R318 PolarHBondContact O-N 2.82Å; E316-R318 VanDerWaalsContact C-N 3.25Å; E316-R318 PolarHBondContact O-N 3.4Å |
| 319 | K | 58.6 | Low | 51.3 | Low | 174 Ų | 174 | 104.9 Ų | 104.9 | 76% | 0.757 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.4 | 179.2 | -63 | 175.8 | -176.7 | 175.8 | 0 | 113.7 | E316 L317 P321 | E316-K319 WeakPolarHBondContact O-CB 3.41Å; E316-K319 PolarHBondContact O-N 3.04Å; L317-K319 PolarHBondContact O-N 3.2Å; K319-P321 VanDerWaalsContact O-CD 3.29Å; K319-P321 WeakPolarHBondContact O-CD 3.4Å |
| 320 | L | 50.6 | Low | 51.2 | Low | 72 Ų | 72 | 103 Ų | 103 | 38% | 0.377 | 51% | 0.507 | S | S | . | . | trans | -98.5 | 20.8 | -174.3 | -72.9 | 168.4 | 0 | 0 | 0 | 117.3 | L317 G322 | L317-L320 HydrophobicContact CD2-CD1 4.18Å; L317-L320 PolarHBondContact O-N 3.1Å; L320-G322 PolarHBondContact O-N 2.87Å | ||
| 321 | P | 42.9 | Very low | 51.5 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 76% | 0.76 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 108.7 | 176.6 | 30.4 | -28.8 | 0 | 0 | 0 | 109.8 | K319 | K319-P321 VanDerWaalsContact O-CD 3.29Å; K319-P321 WeakPolarHBondContact O-CD 3.4Å |
| 322 | G | 51 | Low | 52.4 | Low | 81 Ų | 81 | 106.7 Ų | 106.7 | 84% | 0.835 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 134.5 | -7.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | L320 | L320-G322 PolarHBondContact O-N 2.87Š|
| 323 | K | 42.6 | Very low | 53.2 | Low | 163 Ų | 163 | 100.6 Ų | 100.6 | 71% | 0.709 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -96.7 | 135.2 | 176.6 | -69.8 | -176.4 | 179.4 | 179.6 | 0 | 110.8 | W325 | K323-W325 PolarHBondContact O-N 3.47Š|
| 324 | K | 49.3 | Very low | 54.5 | Low | 150 Ų | 150 | 99.7 Ų | 99.7 | 65% | 0.652 | 50% | 0.498 | S | S | * | . | trans | -49.7 | 121.6 | 171.1 | -74.8 | 178.8 | 173.4 | -177.1 | 0 | 109 | M140 N326 | M140-K324 HydrophobicContact SD-CD 4.48Å; M140-K324 WeakPolarHBondContact SD-CE 3.22Å; M140-K324 PolarHBondContact SD-NZ 2.67Å; M140-K324 VanDerWaalsContact SD-NZ 3.36Å; K324-N326 PolarHBondContact O-N 2.78Å | ||
| 325 | W | 45.4 | Very low | 55.8 | Low | 140 Ų | 140 | 103.6 Ų | 103.6 | 53% | 0.53 | 51% | 0.511 | S | S | . | . | trans | -64.2 | 106.6 | -179.8 | -61.1 | 85.7 | 0 | 0 | 0 | 109.9 | K323 A329 V333 | K323-W325 PolarHBondContact O-N 3.47Å; W325-A329 HydrophobicContact CD2-CB 4.39Å; W325-A329 HydrophobicContact CE3-CB 3.41Å; W325-A329 VanDerWaalsContact CE3-CB 3.41Å; W325-A329 HydrophobicContact CZ3-CB 3.93Å; W325-A329 WeakPolarHBondContact CZ3-O 3.47Å; W325-V333 HydrophobicContact CD2-CG2 4.42Å; W325-V333 HydrophobicContact CE3-CG2 3.58Å; W325-V333 HydrophobicContact CH2-CG2 3.25Å; W325-V333 HydrophobicContact CZ2-CG2 4.09Å; W325-V333 HydrophobicContact CZ3-CB 4.41Å; W325-V333 HydrophobicContact CZ3-CG2 2.97Å | ||
| 326 | N | 46.1 | Very low | 56.7 | Low | 92 Ų | 92 | 102 Ų | 102 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | trans | -64.3 | 155.2 | 158.4 | 39.4 | -23.4 | 0 | 0 | 0 | 109.6 | K324 E328 A329 L330 | K324-N326 PolarHBondContact O-N 2.78Å; N326-E328 PolarHBondContact O-N 2.96Å; N326-E328 VanDerWaalsContact O-N 3.12Å; N326-A329 WeakPolarHBondContact O-CB 3.4Å; N326-A329 PolarHBondContact O-N 2.92Å; N326-A329 WeakPolarHBondContact OD1-CB 3.39Å; N326-L330 PolarHBondContact O-N 3.29Å; N326-L330 VanDerWaalsContact O-N 3.09Å | ||
| 327 | Q | 46.2 | Very low | 58.1 | Low | 182 Ų | 182 | 97.6 Ų | 97.6 | 85% | 0.85 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -54.1 | -33 | -178.6 | -79.8 | 179.5 | -18 | 0 | 0 | 113 | L330 F331 | Q327-L330 WeakPolarHBondContact O-CB 3.42Å; Q327-L330 PolarHBondContact O-N 3.33Å; Q327-F331 PolarHBondContact O-N 3.49Å; Q327-F331 VanDerWaalsContact O-N 3.07Å |
| 328 | E | 42.7 | Very low | 59.7 | Low | 145 Ų | 145 | 98.5 Ų | 98.5 | 68% | 0.678 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 173 | -67.2 | 175.5 | 160.6 | 0 | 0 | 112.1 | N326 L330 F331 D332 | N326-E328 PolarHBondContact O-N 2.96Å; N326-E328 VanDerWaalsContact O-N 3.12Å; E328-L330 VanDerWaalsContact C-N 3.29Å; E328-L330 PolarHBondContact O-N 3.07Å; E328-F331 WeakPolarHBondContact O-CB 3.16Å; E328-F331 PolarHBondContact O-N 3.37Å; E328-F331 VanDerWaalsContact O-N 3.14Å; E328-D332 PolarHBondContact O-N 3.37Å |
| 329 | A | 52.7 | Low | 61.1 | Low | 11 Ų | 11 | 92.9 Ų | 92.9 | 9% | 0.091 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -67.6 | -31 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W325 N326 D332 V333 | W325-A329 HydrophobicContact CD2-CB 4.39Å; W325-A329 HydrophobicContact CE3-CB 3.41Å; W325-A329 VanDerWaalsContact CE3-CB 3.41Å; W325-A329 HydrophobicContact CZ3-CB 3.93Å; W325-A329 WeakPolarHBondContact CZ3-O 3.47Å; N326-A329 WeakPolarHBondContact O-CB 3.4Å; N326-A329 PolarHBondContact O-N 2.92Å; N326-A329 WeakPolarHBondContact OD1-CB 3.39Å; A329-D332 PolarHBondContact O-N 3.16Å; A329-V333 WeakPolarHBondContact O-CG2 2.93Å; A329-V333 PolarHBondContact O-N 3.19Å |
| 330 | L | 54.7 | Low | 62.5 | Low | 101 Ų | 101 | 85 Ų | 85 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 172 | -162.8 | 94.6 | 0 | 0 | 0 | 111.4 | N326 Q327 E328 D332 V333 Q334 | N326-L330 PolarHBondContact O-N 3.29Å; N326-L330 VanDerWaalsContact O-N 3.09Å; Q327-L330 WeakPolarHBondContact O-CB 3.42Å; Q327-L330 PolarHBondContact O-N 3.33Å; E328-L330 VanDerWaalsContact C-N 3.29Å; E328-L330 PolarHBondContact O-N 3.07Å; L330-D332 VanDerWaalsContact C-N 3.3Å; L330-D332 PolarHBondContact O-N 3.05Å; L330-V333 PolarHBondContact O-N 3.17Å; L330-Q334 WeakPolarHBondContact O-CG 3.26Å; L330-Q334 PolarHBondContact O-N 3.45Å |
| 331 | F | 56.3 | Low | 64.4 | Low | 142 Ų | 142 | 85.8 Ų | 85.8 | 62% | 0.623 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.7 | -41.4 | 174.8 | -174.7 | -95.6 | 0 | 0 | 0 | 111.1 | Q327 E328 V333 Q334 R335 | Q327-F331 PolarHBondContact O-N 3.49Å; Q327-F331 VanDerWaalsContact O-N 3.07Å; E328-F331 WeakPolarHBondContact O-CB 3.16Å; E328-F331 PolarHBondContact O-N 3.37Å; E328-F331 VanDerWaalsContact O-N 3.14Å; F331-V333 PolarHBondContact O-N 2.99Å; F331-Q334 PolarHBondContact O-N 2.84Å; F331-R335 WeakPolarHBondContact O-CB 3.48Å; F331-R335 PolarHBondContact O-N 3.3Å |
| 332 | D | 70 | Confident | 66.6 | Low | 59 Ų | 59 | 81 Ų | 81 | 32% | 0.316 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 176.9 | -70.5 | -33.3 | 0 | 0 | 0 | 113 | L317 E328 A329 L330 R335 A336 | L317-D332 HydrophobicContact CD1-CB 4.24Å; L317-D332 HydrophobicContact CD2-CB 3.79Å; E328-D332 PolarHBondContact O-N 3.37Å; A329-D332 PolarHBondContact O-N 3.16Å; L330-D332 VanDerWaalsContact C-N 3.3Å; L330-D332 PolarHBondContact O-N 3.05Å; D332-R335 PolarHBondContact O-N 2.06Å; D332-A336 WeakPolarHBondContact O-CB 3.22Å; D332-A336 PolarHBondContact O-N 3.41Å |
| 333 | V | 73.5 | Confident | 68.5 | Low | 29 Ų | 29 | 78.6 Ų | 78.6 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 174.1 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | W325 A329 L330 F331 R335 A336 R337 | W325-V333 HydrophobicContact CD2-CG2 4.42Å; W325-V333 HydrophobicContact CE3-CG2 3.58Å; W325-V333 HydrophobicContact CH2-CG2 3.25Å; W325-V333 HydrophobicContact CZ2-CG2 4.09Å; W325-V333 HydrophobicContact CZ3-CB 4.41Å; W325-V333 HydrophobicContact CZ3-CG2 2.97Å; A329-V333 WeakPolarHBondContact O-CG2 2.93Å; A329-V333 PolarHBondContact O-N 3.19Å; L330-V333 PolarHBondContact O-N 3.17Å; F331-V333 PolarHBondContact O-N 2.99Å; V333-R335 VanDerWaalsContact C-N 3.29Å; V333-R335 PolarHBondContact O-N 3.4Å; V333-A336 PolarHBondContact O-N 3.45Å; V333-R337 WeakPolarHBondContact O-CB 3.22Å; V333-R337 PolarHBondContact O-N 3.03Å |
| 334 | Q | 80.6 | Confident | 70.9 | Confident | 114 Ų | 114 | 71 Ų | 71 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 179.2 | -69.9 | -62.3 | -12 | 0 | 0 | 111.1 | L330 F331 R337 A338 | L330-Q334 WeakPolarHBondContact O-CG 3.26Å; L330-Q334 PolarHBondContact O-N 3.45Å; F331-Q334 PolarHBondContact O-N 2.84Å; Q334-R337 PolarHBondContact O-N 3.37Å; Q334-A338 WeakPolarHBondContact O-CB 3.42Å; Q334-A338 PolarHBondContact O-N 2.69Å |
| 335 | R | 80.3 | Confident | 73.1 | Confident | 98 Ų | 98 | 65.8 Ų | 65.8 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 173.4 | -172.6 | 175.1 | -179.4 | 176.1 | -0.3 | 111.9 | F331 D332 V333 R337 A338 I339 | F331-R335 WeakPolarHBondContact O-CB 3.48Å; F331-R335 PolarHBondContact O-N 3.3Å; D332-R335 PolarHBondContact O-N 2.06Å; V333-R335 VanDerWaalsContact C-N 3.29Å; V333-R335 PolarHBondContact O-N 3.4Å; R335-R337 VanDerWaalsContact C-N 3.3Å; R335-R337 PolarHBondContact O-N 2.88Å; R335-A338 WeakPolarHBondContact O-CB 3.29Å; R335-A338 PolarHBondContact O-N 3.05Å; R335-A338 VanDerWaalsContact O-N 3.13Å; R335-I339 HydrophobicContact CG-CD1 4.38Å; R335-I339 WeakPolarHBondContact O-CG1 3.39Å; R335-I339 PolarHBondContact O-N 2.99Å |
| 336 | A | 80.4 | Confident | 75.4 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L216 L317 D332 V333 A338 I339 L340 | L216-A336 HydrophobicContact CD1-CB 4.01Å; L216-A336 HydrophobicContact CD2-CB 4.26Å; L317-A336 HydrophobicContact CD1-CB 3.76Å; D332-A336 WeakPolarHBondContact O-CB 3.22Å; D332-A336 PolarHBondContact O-N 3.41Å; V333-A336 PolarHBondContact O-N 3.45Å; A336-A338 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 3.27Å; A336-I339 PolarHBondContact O-N 2.95Å; A336-L340 WeakPolarHBondContact O-CG 3.36Å; A336-L340 PolarHBondContact O-N 3.27Å |
| 337 | R | 86.8 | Confident | 77.7 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 175 | -158.8 | 179.6 | -162.6 | 79.8 | 5 | 111.4 | V211 D212 L214 L216 L219 V333 Q334 R335 L340 R341 | V211-R337 PolarHBondContact O-NH2 3.08Å; D212-R337 VanDerWaalsContact C-NH2 3.34Å; D212-R337 VanDerWaalsContact CA-NH2 3.33Å; D212-R337 PolarHBondContact O-NH2 3.44Å; D212-R337 IonicContact OD1-NE 3.82Å; L214-R337 PolarHBondContact O-NH1 3.26Å; L214-R337 PolarHBondContact O-NH2 3.43Å; L216-R337 HydrophobicContact CD2-CB 4.12Å; L216-R337 HydrophobicContact CD2-CG 4.49Å; L219-R337 HydrophobicContact CD1-CG 3.73Å; V333-R337 WeakPolarHBondContact O-CB 3.22Å; V333-R337 PolarHBondContact O-N 3.03Å; Q334-R337 PolarHBondContact O-N 3.37Å; R335-R337 VanDerWaalsContact C-N 3.3Å; R335-R337 PolarHBondContact O-N 2.88Å; R337-L340 PolarHBondContact O-N 2.89Å; R337-R341 WeakPolarHBondContact O-CB 3.41Å; R337-R341 WeakPolarHBondContact O-CG 3.43Å; R337-R341 PolarHBondContact O-N 3.17Å |
| 338 | A | 86.6 | Confident | 80.1 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q334 R335 A336 R341 N342 | Q334-A338 WeakPolarHBondContact O-CB 3.42Å; Q334-A338 PolarHBondContact O-N 2.69Å; R335-A338 WeakPolarHBondContact O-CB 3.29Å; R335-A338 PolarHBondContact O-N 3.05Å; R335-A338 VanDerWaalsContact O-N 3.13Å; A336-A338 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 3.27Å; A338-R341 PolarHBondContact O-N 2.88Å; A338-N342 PolarHBondContact O-N 3.5Å |
| 339 | I | 85.5 | Confident | 82.7 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 175.6 | -64.2 | 171.1 | 0 | 0 | 0 | 110.4 | L304 D307 A310 I314 R335 A336 R341 N342 E343 | L304-I339 HydrophobicContact CD2-CG2 4.19Å; D307-I339 HydrophobicContact CB-CD1 4.43Å; D307-I339 HydrophobicContact CB-CG1 4.14Å; A310-I339 HydrophobicContact CB-CD1 4.08Å; I314-I339 HydrophobicContact CD1-CD1 4.29Å; I314-I339 HydrophobicContact CD1-CG2 4.02Å; R335-I339 HydrophobicContact CG-CD1 4.38Å; R335-I339 WeakPolarHBondContact O-CG1 3.39Å; R335-I339 PolarHBondContact O-N 2.99Å; A336-I339 PolarHBondContact O-N 2.95Å; I339-R341 VanDerWaalsContact C-N 3.3Å; I339-R341 PolarHBondContact O-N 2.67Å; I339-N342 WeakPolarHBondContact O-CB 3.37Å; I339-N342 PolarHBondContact O-N 2.98Å; I339-N342 VanDerWaalsContact O-N 3.1Å; I339-E343 PolarHBondContact O-N 3.07Å |
| 340 | L | 87.7 | Confident | 84.6 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -36.7 | 177.3 | -69.6 | 177.8 | 0 | 0 | 0 | 112.2 | L216 L219 R220 A336 R337 E343 L344 | L216-L340 HydrophobicContact CB-CD1 3.95Å; L216-L340 HydrophobicContact CD2-CD1 3.76Å; L216-L340 HydrophobicContact CG-CD1 4.43Å; L216-L340 WeakPolarHBondContact O-CD1 3.39Å; L219-L340 HydrophobicContact CB-CD1 4.17Å; R220-L340 HydrophobicContact CB-CD2 4.2Å; A336-L340 WeakPolarHBondContact O-CG 3.36Å; A336-L340 PolarHBondContact O-N 3.27Å; R337-L340 PolarHBondContact O-N 2.89Å; L340-E343 WeakPolarHBondContact CD2-OE2 3.38Å; L340-E343 WeakPolarHBondContact O-CB 3.18Å; L340-E343 PolarHBondContact O-N 2.79Å; L340-L344 VanDerWaalsContact O-CG 3.29Å; L340-L344 WeakPolarHBondContact O-CG 3.17Å; L340-L344 PolarHBondContact O-N 3.34Å |
| 341 | R | 90.7 | Very high | 86.6 | Confident | 89 Ų | 89 | 37.1 Ų | 37.1 | 34% | 0.336 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 172.8 | -77.6 | 178.9 | 177.7 | -179.5 | 2.1 | 111.6 | D212 R337 A338 I339 E343 L344 L345 | D212-R341 IonicContact OD1-NH2 3.08Å; D212-R341 PolarHBondContact OD1-NH2 2.83Å; R337-R341 WeakPolarHBondContact O-CB 3.41Å; R337-R341 WeakPolarHBondContact O-CG 3.43Å; R337-R341 PolarHBondContact O-N 3.17Å; A338-R341 PolarHBondContact O-N 2.88Å; I339-R341 VanDerWaalsContact C-N 3.3Å; I339-R341 PolarHBondContact O-N 2.67Å; R341-E343 VanDerWaalsContact C-N 3.31Å; R341-E343 PolarHBondContact O-N 3.34Å; R341-L344 PolarHBondContact O-N 3.13Å; R341-L345 WeakPolarHBondContact O-CB 3.33Å; R341-L345 VanDerWaalsContact O-CG 3.31Å; R341-L345 WeakPolarHBondContact O-CG 3.21Å; R341-L345 PolarHBondContact O-N 2.88Å |
| 342 | N | 90.1 | Very high | 88.5 | Confident | 16 Ų | 16 | 30.4 Ų | 30.4 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 174.7 | -72.5 | -20 | 0 | 0 | 0 | 111.7 | L300 R303 L304 D307 A338 I339 L345 Y346 | L300-N342 HydrophobicContact CD2-CB 4.43Å; R303-N342 PolarHBondContact NE-ND2 3.17Å; L304-N342 HydrophobicContact CD2-CB 3.74Å; L304-N342 HydrophobicContact CG-CB 4.2Å; D307-N342 PolarHBondContact OD2-ND2 3.32Å; A338-N342 PolarHBondContact O-N 3.5Å; I339-N342 WeakPolarHBondContact O-CB 3.37Å; I339-N342 PolarHBondContact O-N 2.98Å; I339-N342 VanDerWaalsContact O-N 3.1Å; N342-L345 PolarHBondContact O-N 2.65Å; N342-Y346 WeakPolarHBondContact O-CB 3.49Å; N342-Y346 PolarHBondContact O-N 3.22Å |
| 343 | E | 90.2 | Very high | 89.6 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 15% | 0.15 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 175.6 | -167.7 | -174.9 | 177.4 | 0 | 0 | 111.2 | R220 K223 L304 I339 L340 R341 L345 Y346 Y347 | R220-E343 IonicContact NE-OE2 2.93Å; R220-E343 IonicContact NH2-OE2 2.71Å; K223-E343 HydrophobicContact CD-CG 4.42Å; K223-E343 WeakPolarHBondContact CE-OE1 3.39Å; K223-E343 IonicContact NZ-OE1 3.88Å; K223-E343 PolarHBondContact NZ-OE1 3.4Å; L304-E343 HydrophobicContact CD2-CB 4.33Å; I339-E343 PolarHBondContact O-N 3.07Å; L340-E343 WeakPolarHBondContact CD2-OE2 3.38Å; L340-E343 WeakPolarHBondContact O-CB 3.18Å; L340-E343 PolarHBondContact O-N 2.79Å; R341-E343 VanDerWaalsContact C-N 3.31Å; R341-E343 PolarHBondContact O-N 3.34Å; E343-L345 VanDerWaalsContact C-N 3.34Å; E343-L345 PolarHBondContact O-N 3.06Å; E343-Y346 WeakPolarHBondContact O-CB 3.38Å; E343-Y346 PolarHBondContact O-N 3.14Å; E343-Y347 HydrophobicContact CG-CD2 4.23Å; E343-Y347 HydrophobicContact CG-CE2 4.12Å; E343-Y347 WeakPolarHBondContact O-CD2 3.44Å; E343-Y347 PolarHBondContact O-N 3.25Å |
| 344 | L | 93.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 176 | -69.2 | 171.2 | 0 | 0 | 0 | 112.1 | L219 L222 K223 Y254 L258 I263 L340 R341 Y347 A348 | L219-L344 HydrophobicContact CD2-CD1 4.32Å; L222-L344 HydrophobicContact CB-CD2 3.89Å; L222-L344 HydrophobicContact CD1-CD1 4.02Å; K223-L344 HydrophobicContact CG-CD2 3.72Å; Y254-L344 HydrophobicContact CE2-CD2 4.42Å; Y254-L344 PolarHBondContact OH-O 2.87Å; L258-L344 HydrophobicContact CD2-CB 4.21Å; L258-L344 HydrophobicContact CD2-CD1 4.38Å; L258-L344 HydrophobicContact CD2-CD2 4.28Å; I263-L344 HydrophobicContact CD1-CD1 3.85Å; I263-L344 HydrophobicContact CG2-CB 4.3Å; L340-L344 VanDerWaalsContact O-CG 3.29Å; L340-L344 WeakPolarHBondContact O-CG 3.17Å; L340-L344 PolarHBondContact O-N 3.34Å; R341-L344 PolarHBondContact O-N 3.13Å; L344-Y347 PolarHBondContact O-N 3.18Å; L344-A348 WeakPolarHBondContact O-CB 3.14Å; L344-A348 PolarHBondContact O-N 2.88Å |
| 345 | L | 94.9 | Very high | 91.3 | Very high | 42 Ų | 42 | 22.9 Ų | 22.9 | 22% | 0.22 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 174.6 | -73.7 | 173.7 | 0 | 0 | 0 | 112.3 | I263 Y264 L300 R341 N342 E343 A348 H349 | I263-L345 HydrophobicContact CG2-CD2 4.42Å; I263-L345 WeakPolarHBondContact O-CD2 3.36Å; Y264-L345 HydrophobicContact CD2-CD2 3.74Å; Y264-L345 HydrophobicContact CG-CD2 4.46Å; L300-L345 HydrophobicContact CD1-CB 3.76Å; L300-L345 HydrophobicContact CD2-CB 4.32Å; R341-L345 WeakPolarHBondContact O-CB 3.33Å; R341-L345 VanDerWaalsContact O-CG 3.31Å; R341-L345 WeakPolarHBondContact O-CG 3.21Å; R341-L345 PolarHBondContact O-N 2.88Å; N342-L345 PolarHBondContact O-N 2.65Å; E343-L345 VanDerWaalsContact C-N 3.34Å; E343-L345 PolarHBondContact O-N 3.06Å; L345-A348 WeakPolarHBondContact O-CB 3.43Å; L345-A348 PolarHBondContact O-N 2.98Å; L345-A348 VanDerWaalsContact O-N 3.17Å; L345-H349 PolarHBondContact O-CD2 3.25Å; L345-H349 VanDerWaalsContact O-CD2 3.25Å; L345-H349 PolarHBondContact O-N 3.4Å |
| 346 | Y | 93.6 | Very high | 91.9 | Very high | 35 Ų | 35 | 18.7 Ų | 18.7 | 14% | 0.137 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.8 | -51 | 174.6 | 164.6 | -91.1 | 0 | 0 | 0 | 110.3 | R297 L301 L304 N342 E343 A348 H349 F350 | R297-Y346 HydrophobicContact CG-CD2 3.62Å; R297-Y346 HydrophobicContact CG-CE2 3.45Å; R297-Y346 VanDerWaalsContact CG-CE2 3.45Å; L301-Y346 HydrophobicContact CB-CD2 4.07Å; L301-Y346 HydrophobicContact CB-CE2 3.87Å; L301-Y346 HydrophobicContact CD1-CE2 3.98Å; L301-Y346 HydrophobicContact CD2-CE2 4.45Å; L301-Y346 HydrophobicContact CG-CE2 4.31Å; L304-Y346 HydrophobicContact CD1-CG 4.16Å; N342-Y346 WeakPolarHBondContact O-CB 3.49Å; N342-Y346 PolarHBondContact O-N 3.22Å; E343-Y346 WeakPolarHBondContact O-CB 3.38Å; E343-Y346 PolarHBondContact O-N 3.14Å; Y346-A348 VanDerWaalsContact C-N 3.29Å; Y346-A348 PolarHBondContact O-N 3.38Å; Y346-H349 PolarHBondContact O-N 3.27Å; Y346-F350 PolarHBondContact O-N 3.22Å |
| 347 | Y | 94.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 6% | 0.063 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.9 | -30.3 | 176.2 | -80.7 | -76.7 | 0 | 0 | 0 | 112.4 | N170 K223 Y227 L230 Y254 E343 L344 F350 V351 | N170-Y347 PolarHBondContact OD1-OH 3.46Å; K223-Y347 HydrophobicContact CD-CD2 3.57Å; K223-Y347 HydrophobicContact CD-CE2 3.54Å; K223-Y347 HydrophobicContact CD-CG 4.43Å; K223-Y347 HydrophobicContact CG-CD2 4.19Å; Y227-Y347 HydrophobicContact CD1-CE1 4.25Å; Y227-Y347 AromaticContact CE1-CE1 3.6Å; Y227-Y347 HydrophobicContact CE1-CE1 3.6Å; Y227-Y347 HydrophobicContact CE1-CE2 4.47Å; Y227-Y347 AromaticContact CE1-CZ 3.58Å; Y227-Y347 WeakPolarHBondContact CE1-OH 3.49Å; Y227-Y347 PolarHBondContact OH-OH 3.18Å; L230-Y347 HydrophobicContact CD1-CD1 3.93Å; L230-Y347 HydrophobicContact CD1-CE1 4.13Å; Y254-Y347 WeakPolarHBondContact OH-CB 3.45Å; E343-Y347 HydrophobicContact CG-CD2 4.23Å; E343-Y347 HydrophobicContact CG-CE2 4.12Å; E343-Y347 WeakPolarHBondContact O-CD2 3.44Å; E343-Y347 PolarHBondContact O-N 3.25Å; L344-Y347 PolarHBondContact O-N 3.18Å; Y347-F350 HydrophobicContact CD1-CD1 4.36Å; Y347-F350 PolarHBondContact O-N 3.07Å; Y347-V351 VanDerWaalsContact O-CB 3.24Å; Y347-V351 WeakPolarHBondContact O-CB 3.36Å; Y347-V351 VanDerWaalsContact O-CG2 3.26Å; Y347-V351 WeakPolarHBondContact O-CG2 3.32Å; Y347-V351 PolarHBondContact O-N 3.4Å |
| 348 | A | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y254 L258 Y264 L344 L345 Y346 F352 | Y254-A348 HydrophobicContact CE1-CB 4.39Å; L258-A348 HydrophobicContact CD1-CB 3.61Å; Y264-A348 HydrophobicContact CD1-CB 3.93Å; Y264-A348 HydrophobicContact CD2-CB 3.69Å; Y264-A348 HydrophobicContact CE1-CB 4.09Å; Y264-A348 HydrophobicContact CE2-CB 3.87Å; Y264-A348 HydrophobicContact CG-CB 3.7Å; L344-A348 WeakPolarHBondContact O-CB 3.14Å; L344-A348 PolarHBondContact O-N 2.88Å; L345-A348 WeakPolarHBondContact O-CB 3.43Å; L345-A348 PolarHBondContact O-N 2.98Å; L345-A348 VanDerWaalsContact O-N 3.17Å; Y346-A348 VanDerWaalsContact C-N 3.29Å; Y346-A348 PolarHBondContact O-N 3.38Å; A348-F352 WeakPolarHBondContact O-CB 3.05Å; A348-F352 PolarHBondContact O-N 3.49Å |
| 349 | H | 96 | Very high | 92.9 | Very high | 10 Ų | 10 | 17 Ų | 17 | 5% | 0.046 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68 | -38.2 | 174.6 | -72.8 | -62.8 | 0 | 0 | 0 | 112.1 | Y264 H293 K296 R297 L345 Y346 F352 E353 | Y264-H349 AromaticContact CE2-CE1 3.6Å; Y264-H349 AromaticContact CE2-NE2 3.76Å; H293-H349 AromaticContact CE1-ND1 3.79Å; H293-H349 AromaticContact CG-ND1 3.66Å; H293-H349 AromaticContact ND1-CE1 3.75Å; H293-H349 AromaticContact ND1-ND1 3.07Å; H293-H349 PolarHBondContact ND1-ND1 3.2Å; K296-H349 WeakPolarHBondContact CD-CE1 3.37Å; R297-H349 HydrophobicContact CB-CB 3.8Å; L345-H349 PolarHBondContact O-CD2 3.25Å; L345-H349 VanDerWaalsContact O-CD2 3.25Å; L345-H349 PolarHBondContact O-N 3.4Å; Y346-H349 PolarHBondContact O-N 3.27Å; H349-F352 WeakPolarHBondContact O-CB 3.39Å; H349-F352 PolarHBondContact O-N 2.96Å; H349-E353 WeakPolarHBondContact O-CG 3.49Å; H349-E353 PolarHBondContact O-N 3.47Å; H349-E353 VanDerWaalsContact O-N 3.1Å |
| 350 | F | 94.1 | Very high | 93.1 | Very high | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.035 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.3 | -172.1 | -158.6 | 0 | 0 | 0 | 113 | I173 L230 M234 Y346 Y347 F352 E353 R354 | I173-F350 HydrophobicContact CG2-CE1 3.63Å; I173-F350 HydrophobicContact CG2-CZ 4.28Å; L230-F350 HydrophobicContact CD1-CD1 3.74Å; L230-F350 HydrophobicContact CD1-CE1 3.81Å; L230-F350 HydrophobicContact CD2-CD1 4Å; L230-F350 HydrophobicContact CD2-CD2 4.41Å; L230-F350 HydrophobicContact CD2-CE1 3.92Å; L230-F350 HydrophobicContact CD2-CE2 4.37Å; L230-F350 HydrophobicContact CD2-CG 4.26Å; L230-F350 HydrophobicContact CD2-CZ 4.13Å; L230-F350 HydrophobicContact CG-CE1 4.48Å; M234-F350 HydrophobicContact CE-CE1 4.5Å; M234-F350 HydrophobicContact CE-CZ 3.99Å; Y346-F350 PolarHBondContact O-N 3.22Å; Y347-F350 HydrophobicContact CD1-CD1 4.36Å; Y347-F350 PolarHBondContact O-N 3.07Å; F350-F352 VanDerWaalsContact C-N 3.28Å; F350-F352 PolarHBondContact O-N 2.93Å; F350-E353 PolarHBondContact O-N 3.3Å; F350-R354 HydrophobicContact CD2-CG 3.93Å; F350-R354 HydrophobicContact CE2-CG 3.67Å; F350-R354 HydrophobicContact CZ-CG 4.37Å; F350-R354 PolarHBondContact O-N 3.39Å |
| 351 | V | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.7 | -38.1 | 174.2 | 165.1 | 0 | 0 | 0 | 0 | 110.8 | A226 L230 M251 Y254 M255 Y347 E353 R354 L355 | A226-V351 HydrophobicContact CB-CG2 3.7Å; L230-V351 HydrophobicContact CD1-CG2 4.31Å; L230-V351 HydrophobicContact CD2-CG2 4.25Å; L230-V351 HydrophobicContact CG-CG2 4.17Å; M251-V351 HydrophobicContact CB-CG1 3.57Å; M251-V351 HydrophobicContact CG-CG1 3.7Å; M251-V351 HydrophobicContact SD-CG1 4.16Å; Y254-V351 HydrophobicContact CD1-CB 4.09Å; Y254-V351 HydrophobicContact CD1-CG1 4.11Å; Y254-V351 HydrophobicContact CD1-CG2 3.82Å; Y254-V351 HydrophobicContact CE1-CB 4.42Å; Y254-V351 HydrophobicContact CE1-CG2 4.1Å; M255-V351 HydrophobicContact CE-CG1 4.43Å; M255-V351 HydrophobicContact CG-CG1 4.02Å; M255-V351 HydrophobicContact SD-CG1 4.44Å; Y347-V351 VanDerWaalsContact O-CB 3.24Å; Y347-V351 WeakPolarHBondContact O-CB 3.36Å; Y347-V351 VanDerWaalsContact O-CG2 3.26Å; Y347-V351 WeakPolarHBondContact O-CG2 3.32Å; Y347-V351 PolarHBondContact O-N 3.4Å; V351-E353 PolarHBondContact O-N 2.95Å; V351-R354 PolarHBondContact O-N 3.44Å; V351-L355 WeakPolarHBondContact O-CB 3.36Å; V351-L355 PolarHBondContact O-N 3.49Å |
| 352 | F | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.3 | -49.3 | 174.7 | 179.5 | -81.3 | 0 | 0 | 0 | 111.8 | M255 D268 A269 L272 I289 H293 A348 H349 F350 L355 M356 | M255-F352 HydrophobicContact SD-CB 4.48Å; D268-F352 HydrophobicContact CB-CE2 4.05Å; D268-F352 HydrophobicContact CB-CZ 4.13Å; A269-F352 HydrophobicContact CB-CD2 3.86Å; A269-F352 HydrophobicContact CB-CE2 4.17Å; L272-F352 HydrophobicContact CB-CE2 4.03Å; L272-F352 HydrophobicContact CD2-CD2 3.73Å; L272-F352 HydrophobicContact CD2-CE1 4.38Å; L272-F352 HydrophobicContact CD2-CE2 3.59Å; L272-F352 HydrophobicContact CD2-CG 4.19Å; L272-F352 HydrophobicContact CD2-CZ 3.92Å; L272-F352 HydrophobicContact CG-CE2 4.46Å; I289-F352 HydrophobicContact CG2-CE1 3.65Å; I289-F352 HydrophobicContact CG2-CE2 4.5Å; I289-F352 HydrophobicContact CG2-CZ 3.38Å; H293-F352 HydrophobicContact CB-CD1 3.66Å; H293-F352 HydrophobicContact CB-CE1 4.17Å; H293-F352 HydrophobicContact CB-CG 4.4Å; H293-F352 AromaticContact CD2-CD1 3.86Å; H293-F352 AromaticContact CD2-CE1 3.7Å; H293-F352 AromaticContact CE1-CD1 3.85Å; H293-F352 AromaticContact CE1-CD2 3.63Å; H293-F352 AromaticContact CE1-CE2 3.84Å; H293-F352 AromaticContact CE1-CG 3.64Å; H293-F352 AromaticContact CG-CD1 3.3Å; H293-F352 AromaticContact CG-CE1 3.63Å; H293-F352 AromaticContact CG-CG 3.78Å; H293-F352 AromaticContact ND1-CD1 3.29Å; H293-F352 VanDerWaalsContact ND1-CD1 3.29Å; H293-F352 WeakPolarHBondContact ND1-CD1 3.44Å; H293-F352 AromaticContact ND1-CD2 3.72Å; H293-F352 AromaticContact ND1-CE1 3.87Å; H293-F352 AromaticContact ND1-CG 3.22Å; H293-F352 WeakPolarHBondContact ND1-CG 3.43Å; H293-F352 AromaticContact NE2-CZ 3.98Å; A348-F352 WeakPolarHBondContact O-CB 3.05Å; A348-F352 PolarHBondContact O-N 3.49Å; H349-F352 WeakPolarHBondContact O-CB 3.39Å; H349-F352 PolarHBondContact O-N 2.96Å; F350-F352 VanDerWaalsContact C-N 3.28Å; F350-F352 PolarHBondContact O-N 2.93Å; F352-L355 PolarHBondContact O-N 3.24Å; F352-M356 HydrophobicContact CE1-CE 3.53Å; F352-M356 HydrophobicContact CZ-CE 3.54Å; F352-M356 PolarHBondContact O-N 3.42Å |
| 353 | E | 93.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.019 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59 | -49.6 | 178.4 | -65.8 | 170.9 | -139.4 | 0 | 0 | 111.1 | L290 H293 Q294 R297 H349 F350 V351 L355 M356 L357 | L290-E353 HydrophobicContact CD1-CB 3.87Å; L290-E353 HydrophobicContact CD1-CG 3.83Å; H293-E353 HydrophobicContact CB-CG 4.26Å; Q294-E353 VanDerWaalsContact CA-OE1 3.22Å; Q294-E353 WeakPolarHBondContact CA-OE1 3.42Å; Q294-E353 HydrophobicContact CG-CG 4Å; Q294-E353 VanDerWaalsContact CG-OE2 3.23Å; Q294-E353 WeakPolarHBondContact CG-OE2 3.44Å; Q294-E353 PolarHBondContact N-OE1 3.36Å; R297-E353 WeakPolarHBondContact CD-OE1 3.41Å; R297-E353 IonicContact CZ-OE1 2.65Å; R297-E353 VanDerWaalsContact CZ-OE1 3.26Å; R297-E353 IonicContact CZ-OE2 3.64Å; R297-E353 IonicContact NE-OE1 3.05Å; R297-E353 PolarHBondContact NE-OE1 2.89Å; R297-E353 IonicContact NE-OE2 2.78Å; R297-E353 IonicContact NH1-OE2 3.85Å; R297-E353 IonicContact NH2-OE1 3.53Å; R297-E353 PolarHBondContact NH2-OE1 3.46Å; R297-E353 IonicContact NH2-OE2 3.26Å; R297-E353 PolarHBondContact NH2-OE2 3.33Å; H349-E353 WeakPolarHBondContact O-CG 3.49Å; H349-E353 PolarHBondContact O-N 3.47Å; H349-E353 VanDerWaalsContact O-N 3.1Å; F350-E353 PolarHBondContact O-N 3.3Å; V351-E353 PolarHBondContact O-N 2.95Å; E353-L355 PolarHBondContact O-N 2.94Å; E353-M356 PolarHBondContact O-N 2.96Å; E353-L357 WeakPolarHBondContact O-CG 3.42Å; E353-L357 PolarHBondContact O-N 3.25Å |
| 354 | R | 93.9 | Very high | 93 | Very high | 40 Ų | 40 | 18.2 Ų | 18.2 | 15% | 0.151 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.4 | -36.4 | -178.3 | -71.5 | -75.5 | -174.5 | -148.3 | -7.1 | 112.6 | E45 L230 M251 F350 V351 M356 L357 A358 | E45-R354 IonicContact OE1-CZ 3.14Å; E45-R354 IonicContact OE1-NH1 2.69Å; E45-R354 PolarHBondContact OE1-NH1 3.5Å; E45-R354 IonicContact OE1-NH2 2.9Å; E45-R354 PolarHBondContact OE1-NH2 2.9Å; E45-R354 IonicContact OE2-NH1 2.69Å; E45-R354 IonicContact OE2-NH2 4Å; L230-R354 HydrophobicContact CD2-CB 3.84Å; L230-R354 HydrophobicContact CD2-CG 3.57Å; M251-R354 HydrophobicContact SD-CB 3.8Å; F350-R354 HydrophobicContact CD2-CG 3.93Å; F350-R354 HydrophobicContact CE2-CG 3.67Å; F350-R354 HydrophobicContact CZ-CG 4.37Å; F350-R354 PolarHBondContact O-N 3.39Å; V351-R354 PolarHBondContact O-N 3.44Å; R354-M356 VanDerWaalsContact C-N 3.34Å; R354-L357 PolarHBondContact O-N 3.49Å; R354-A358 WeakPolarHBondContact O-CB 3.32Å; R354-A358 PolarHBondContact O-N 3.21Å |
| 355 | L | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 174.9 | -179.8 | 64 | 0 | 0 | 0 | 111.2 | I248 M251 M255 L272 I273 V351 F352 E353 A358 K359 | I248-L355 HydrophobicContact CB-CD1 4.05Å; I248-L355 HydrophobicContact CG1-CD1 3.9Å; I248-L355 HydrophobicContact CG2-CD1 3.92Å; M251-L355 HydrophobicContact CB-CB 4.33Å; M251-L355 HydrophobicContact CB-CD1 4.05Å; M251-L355 HydrophobicContact CE-CB 4.35Å; M251-L355 HydrophobicContact CE-CD1 4.17Å; M251-L355 HydrophobicContact SD-CB 3.99Å; M251-L355 PolarHBondContact SD-N 3.27Å; M255-L355 HydrophobicContact CE-CD2 3.15Å; M255-L355 HydrophobicContact CE-CG 4.41Å; L272-L355 HydrophobicContact CD2-CB 4.07Å; L272-L355 HydrophobicContact CD2-CD2 3.82Å; L272-L355 HydrophobicContact CD2-CG 3.96Å; L272-L355 HydrophobicContact CG-CD2 3.81Å; L272-L355 HydrophobicContact CG-CG 4.11Å; I273-L355 HydrophobicContact CG1-CD2 4.45Å; V351-L355 WeakPolarHBondContact O-CB 3.36Å; V351-L355 PolarHBondContact O-N 3.49Å; F352-L355 PolarHBondContact O-N 3.24Å; E353-L355 PolarHBondContact O-N 2.94Å; L355-A358 PolarHBondContact O-N 2.96Å; L355-K359 HydrophobicContact CD1-CD 4.44Å; L355-K359 HydrophobicContact CD1-CG 4.33Å; L355-K359 HydrophobicContact CG-CD 4.49Å; L355-K359 WeakPolarHBondContact O-CB 3.43Å; L355-K359 WeakPolarHBondContact O-CG 3.31Å; L355-K359 PolarHBondContact O-N 3.15Å |
| 356 | M | 92.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.044 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 177.2 | -172.2 | 175 | -76.5 | 0 | 0 | 110.6 | L272 I278 H286 I289 L290 F352 E353 R354 K359 C360 | L272-M356 HydrophobicContact CD1-CB 4.38Å; L272-M356 HydrophobicContact CD2-CB 4.11Å; I278-M356 HydrophobicContact CD1-CB 4.38Å; I278-M356 HydrophobicContact CD1-CG 3.66Å; I278-M356 WeakPolarHBondContact CD1-O 3.3Å; H286-M356 HydrophobicContact CB-SD 4.4Å; I289-M356 HydrophobicContact CG2-CE 4.16Å; L290-M356 HydrophobicContact CB-SD 4.01Å; L290-M356 HydrophobicContact CD1-SD 4.18Å; F352-M356 HydrophobicContact CE1-CE 3.53Å; F352-M356 HydrophobicContact CZ-CE 3.54Å; F352-M356 PolarHBondContact O-N 3.42Å; E353-M356 PolarHBondContact O-N 2.96Å; R354-M356 VanDerWaalsContact C-N 3.34Å; M356-K359 PolarHBondContact O-N 2.69Å; M356-C360 PolarHBondContact O-N 3.34Å; M356-C360 VanDerWaalsContact O-N 3.08Å |
| 357 | L | 90.8 | Very high | 92.2 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 11% | 0.105 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 177.5 | -66 | 174.2 | 0 | 0 | 0 | 112.3 | L49 E353 R354 K359 C360 K361 | L49-L357 HydrophobicContact CG-CD2 4.47Å; E353-L357 WeakPolarHBondContact O-CG 3.42Å; E353-L357 PolarHBondContact O-N 3.25Å; R354-L357 PolarHBondContact O-N 3.49Å; L357-K359 PolarHBondContact O-N 3.14Å; L357-C360 WeakPolarHBondContact O-CB 3.35Å; L357-C360 PolarHBondContact O-N 3.3Å; L357-K361 WeakPolarHBondContact O-CB 3.24Å; L357-K361 PolarHBondContact O-N 2.85Å |
| 358 | A | 92.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L244 I248 M251 R354 L355 K361 L362 | L244-A358 HydrophobicContact CD2-CB 3.93Å; I248-A358 HydrophobicContact CD1-CB 4.42Å; I248-A358 HydrophobicContact CG1-CB 3.99Å; M251-A358 HydrophobicContact CE-CB 3.9Å; R354-A358 WeakPolarHBondContact O-CB 3.32Å; R354-A358 PolarHBondContact O-N 3.21Å; L355-A358 PolarHBondContact O-N 2.96Å; A358-K361 PolarHBondContact O-N 3.38Å; A358-L362 WeakPolarHBondContact O-CB 3.26Å; A358-L362 PolarHBondContact O-N 3.22Å |
| 359 | K | 93 | Very high | 91.5 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.5 | -76 | -171.6 | 174.7 | -167.3 | 0 | 112.5 | I248 L272 N275 I278 L355 M356 L357 D363 | I248-K359 HydrophobicContact CD1-CG 3.84Å; I248-K359 HydrophobicContact CG1-CG 4.07Å; L272-K359 HydrophobicContact CD1-CD 4.18Å; L272-K359 PolarHBondContact O-NZ 2.98Å; N275-K359 PolarHBondContact O-NZ 2.82Å; I278-K359 HydrophobicContact CD1-CB 3.67Å; I278-K359 HydrophobicContact CG1-CB 4.04Å; L355-K359 HydrophobicContact CD1-CD 4.44Å; L355-K359 HydrophobicContact CD1-CG 4.33Å; L355-K359 HydrophobicContact CG-CD 4.49Å; L355-K359 WeakPolarHBondContact O-CB 3.43Å; L355-K359 WeakPolarHBondContact O-CG 3.31Å; L355-K359 PolarHBondContact O-N 3.15Å; M356-K359 PolarHBondContact O-N 2.69Å; L357-K359 PolarHBondContact O-N 3.14Å; K359-D363 WeakPolarHBondContact O-CB 3.45Å; K359-D363 PolarHBondContact O-N 3.15Å |
| 360 | C | 90 | Very high | 91.3 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.7 | -78.4 | 0 | 0 | 0 | 0 | 111.5 | I278 W280 M356 L357 H364 | I278-C360 HydrophobicContact CD1-CB 4.48Å; I278-C360 WeakPolarHBondContact CD1-SG 3.48Å; W280-C360 HydrophobicContact CH2-CB 4.15Å; W280-C360 HydrophobicContact CZ2-CB 3.96Å; M356-C360 PolarHBondContact O-N 3.34Å; M356-C360 VanDerWaalsContact O-N 3.08Å; L357-C360 WeakPolarHBondContact O-CB 3.35Å; L357-C360 PolarHBondContact O-N 3.3Å; C360-H364 PolarHBondContact O-N 3.11Å |
| 361 | K | 89.7 | Confident | 91 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.2 | -40.9 | -179 | -176.5 | 60.1 | 175.7 | 168.8 | 0 | 112.1 | E240 L244 L357 A358 H364 L365 | E240-K361 WeakPolarHBondContact OE1-CE 3.49Å; E240-K361 IonicContact OE1-NZ 2.92Å; L244-K361 HydrophobicContact CD1-CB 3.99Å; L244-K361 HydrophobicContact CD1-CG 3.6Å; L357-K361 WeakPolarHBondContact O-CB 3.24Å; L357-K361 PolarHBondContact O-N 2.85Å; A358-K361 PolarHBondContact O-N 3.38Å; K361-H364 WeakPolarHBondContact O-CB 3.44Å; K361-H364 PolarHBondContact O-N 3.27Å; K361-L365 HydrophobicContact CD-CG 4.5Å; K361-L365 HydrophobicContact CG-CD1 4.37Å; K361-L365 WeakPolarHBondContact O-CG 3.2Å; K361-L365 PolarHBondContact O-N 3.14Å |
| 362 | L | 91 | Very high | 90.7 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 175.9 | -177.3 | 62.1 | 0 | 0 | 0 | 111.6 | S241 L244 I248 A358 H364 L365 E366 | S241-L362 WeakPolarHBondContact OG-CD1 3.44Å; L244-L362 HydrophobicContact CB-CB 4.5Å; I248-L362 HydrophobicContact CD1-CB 4.29Å; I248-L362 HydrophobicContact CD1-CD2 3.62Å; A358-L362 WeakPolarHBondContact O-CB 3.26Å; A358-L362 PolarHBondContact O-N 3.22Å; L362-H364 PolarHBondContact O-N 3.3Å; L362-L365 PolarHBondContact O-N 2.88Å; L362-L365 VanDerWaalsContact O-N 3.17Å; L362-E366 HydrophobicContact CD1-CG 4.32Å; L362-E366 HydrophobicContact CG-CG 4.45Å; L362-E366 WeakPolarHBondContact O-CB 3.49Å; L362-E366 WeakPolarHBondContact O-CG 3.13Å; L362-E366 PolarHBondContact O-N 3.21Å |
| 363 | D | 89.4 | Confident | 90.4 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.3 | -36.8 | 174.9 | 173.6 | 70.5 | 0 | 0 | 0 | 111.8 | W280 K359 K367 | W280-D363 PolarHBondContact NE1-OD2 3.3Å; K359-D363 WeakPolarHBondContact O-CB 3.45Å; K359-D363 PolarHBondContact O-N 3.15Å; D363-K367 VanDerWaalsContact CG-NZ 3.28Å; D363-K367 WeakPolarHBondContact O-CB 3.35Å; D363-K367 WeakPolarHBondContact O-CD 3.4Å; D363-K367 VanDerWaalsContact O-CG 3.26Å; D363-K367 WeakPolarHBondContact O-CG 3.24Å; D363-K367 PolarHBondContact O-N 3.29Å; D363-K367 VanDerWaalsContact O-N 3.15Å; D363-K367 VanDerWaalsContact OD1-CE 3.24Å; D363-K367 WeakPolarHBondContact OD1-CE 3.47Å; D363-K367 IonicContact OD1-NZ 3.26Å; D363-K367 PolarHBondContact OD1-NZ 3.22Å; D363-K367 VanDerWaalsContact OD1-NZ 3.14Å; D363-K367 IonicContact OD2-NZ 3.66Å; D363-K367 PolarHBondContact OD2-NZ 3.07Å |
| 364 | H | 86.4 | Confident | 90.2 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 32% | 0.324 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.3 | -48.9 | 174.8 | 176.1 | 57.2 | 0 | 0 | 0 | 112.6 | C360 K361 L362 E366 K367 E368 | C360-H364 PolarHBondContact O-N 3.11Å; K361-H364 WeakPolarHBondContact O-CB 3.44Å; K361-H364 PolarHBondContact O-N 3.27Å; L362-H364 PolarHBondContact O-N 3.3Å; H364-E366 VanDerWaalsContact C-N 3.31Å; H364-E366 PolarHBondContact O-N 2.95Å; H364-K367 PolarHBondContact O-N 3.23Å; H364-E368 WeakPolarHBondContact O-CB 3.27Å; H364-E368 PolarHBondContact O-N 3Å |
| 365 | L | 88.5 | Confident | 89.9 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 178.3 | -69.6 | 172.4 | 0 | 0 | 0 | 112 | E240 L244 K361 L362 E368 R369 | E240-L365 HydrophobicContact CB-CD1 4.08Å; E240-L365 HydrophobicContact CG-CD1 3.95Å; L244-L365 HydrophobicContact CD1-CD1 3.88Å; K361-L365 HydrophobicContact CD-CG 4.5Å; K361-L365 HydrophobicContact CG-CD1 4.37Å; K361-L365 WeakPolarHBondContact O-CG 3.2Å; K361-L365 PolarHBondContact O-N 3.14Å; L362-L365 PolarHBondContact O-N 2.88Å; L362-L365 VanDerWaalsContact O-N 3.17Å; L365-E368 PolarHBondContact O-N 3.24Å; L365-R369 WeakPolarHBondContact O-CB 3.06Å; L365-R369 PolarHBondContact O-N 3.22Å |
| 366 | E | 88.8 | Confident | 89.5 | Confident | 98 Ų | 98 | 62.1 Ų | 62.1 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 176.3 | -73.6 | 176.6 | 171.1 | 0 | 0 | 111.8 | L362 H364 R369 A370 | L362-E366 HydrophobicContact CD1-CG 4.32Å; L362-E366 HydrophobicContact CG-CG 4.45Å; L362-E366 WeakPolarHBondContact O-CB 3.49Å; L362-E366 WeakPolarHBondContact O-CG 3.13Å; L362-E366 PolarHBondContact O-N 3.21Å; H364-E366 VanDerWaalsContact C-N 3.31Å; H364-E366 PolarHBondContact O-N 2.95Å; E366-R369 PolarHBondContact O-N 2.85Å; E366-A370 WeakPolarHBondContact O-CB 3.2Å; E366-A370 PolarHBondContact O-N 3.45Å |
| 367 | K | 88.3 | Confident | 89.4 | Confident | 104 Ų | 104 | 65 Ų | 65 | 45% | 0.452 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 175.4 | -74.9 | 168.7 | -178.5 | 164.4 | 0 | 112.5 | D363 H364 R369 A370 V371 | D363-K367 VanDerWaalsContact CG-NZ 3.28Å; D363-K367 WeakPolarHBondContact O-CB 3.35Å; D363-K367 WeakPolarHBondContact O-CD 3.4Å; D363-K367 VanDerWaalsContact O-CG 3.26Å; D363-K367 WeakPolarHBondContact O-CG 3.24Å; D363-K367 PolarHBondContact O-N 3.29Å; D363-K367 VanDerWaalsContact O-N 3.15Å; D363-K367 VanDerWaalsContact OD1-CE 3.24Å; D363-K367 WeakPolarHBondContact OD1-CE 3.47Å; D363-K367 IonicContact OD1-NZ 3.26Å; D363-K367 PolarHBondContact OD1-NZ 3.22Å; D363-K367 VanDerWaalsContact OD1-NZ 3.14Å; D363-K367 IonicContact OD2-NZ 3.66Å; D363-K367 PolarHBondContact OD2-NZ 3.07Å; H364-K367 PolarHBondContact O-N 3.23Å; K367-R369 VanDerWaalsContact C-N 3.31Å; K367-R369 PolarHBondContact O-N 3.01Å; K367-A370 PolarHBondContact O-N 3.42Å; K367-V371 WeakPolarHBondContact O-CG2 3.32Å; K367-V371 PolarHBondContact O-N 2.92Å |
| 368 | E | 87 | Confident | 89.2 | Confident | 93 Ų | 93 | 69.4 Ų | 69.4 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 175.4 | -175.7 | 179.4 | -179 | 0 | 0 | 110.5 | H364 L365 A370 V371 I372 | H364-E368 WeakPolarHBondContact O-CB 3.27Å; H364-E368 PolarHBondContact O-N 3Å; L365-E368 PolarHBondContact O-N 3.24Å; E368-A370 PolarHBondContact O-N 3.11Å; E368-V371 PolarHBondContact O-N 2.92Å; E368-I372 HydrophobicContact CG-CD1 4.01Å; E368-I372 WeakPolarHBondContact O-CG1 3.42Å; E368-I372 PolarHBondContact O-N 3.31Å |
| 369 | R | 89.5 | Confident | 88.9 | Confident | 170 Ų | 170 | 74.4 Ų | 74.4 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.4 | -44.4 | 174.8 | -165.9 | 179.5 | -153.7 | 179 | 8.2 | 112.3 | L365 E366 K367 V371 I372 D373 | L365-R369 WeakPolarHBondContact O-CB 3.06Å; L365-R369 PolarHBondContact O-N 3.22Å; E366-R369 PolarHBondContact O-N 2.85Å; K367-R369 VanDerWaalsContact C-N 3.31Å; K367-R369 PolarHBondContact O-N 3.01Å; R369-V371 VanDerWaalsContact C-N 3.32Å; R369-V371 PolarHBondContact O-N 2.85Å; R369-I372 PolarHBondContact O-N 3.39Å; R369-D373 WeakPolarHBondContact O-CB 3.41Å; R369-D373 VanDerWaalsContact O-CG 3.27Å; R369-D373 PolarHBondContact O-N 3.28Å |
| 370 | A | 89.9 | Confident | 88.7 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 48% | 0.479 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E366 K367 E368 E374 | E366-A370 WeakPolarHBondContact O-CB 3.2Å; E366-A370 PolarHBondContact O-N 3.45Å; K367-A370 PolarHBondContact O-N 3.42Å; E368-A370 PolarHBondContact O-N 3.11Å; A370-E374 VanDerWaalsContact O-CB 3.32Å; A370-E374 WeakPolarHBondContact O-CB 3.4Å; A370-E374 PolarHBondContact O-N 3.02Å |
| 371 | V | 89.3 | Confident | 88.5 | Confident | 83 Ų | 83 | 88.4 Ų | 88.4 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | K367 E368 R369 E374 I375 | K367-V371 WeakPolarHBondContact O-CG2 3.32Å; K367-V371 PolarHBondContact O-N 2.92Å; E368-V371 PolarHBondContact O-N 2.92Å; R369-V371 VanDerWaalsContact C-N 3.32Å; R369-V371 PolarHBondContact O-N 2.85Å; V371-E374 PolarHBondContact O-N 3.09Å; V371-I375 HydrophobicContact CG1-CD1 3.98Å; V371-I375 WeakPolarHBondContact O-CG1 3.44Å; V371-I375 PolarHBondContact O-N 3.22Å |
| 372 | I | 89.1 | Confident | 88.1 | Confident | 72 Ų | 72 | 90.5 Ų | 90.5 | 37% | 0.369 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.6 | -69.8 | 168 | 0 | 0 | 0 | 110.8 | E368 R369 E374 I375 F376 | E368-I372 HydrophobicContact CG-CD1 4.01Å; E368-I372 WeakPolarHBondContact O-CG1 3.42Å; E368-I372 PolarHBondContact O-N 3.31Å; R369-I372 PolarHBondContact O-N 3.39Å; I372-E374 VanDerWaalsContact C-N 3.29Å; I372-E374 PolarHBondContact O-N 2.97Å; I372-I375 PolarHBondContact O-N 3.32Å; I372-F376 HydrophobicContact CG2-CD2 3.56Å; I372-F376 HydrophobicContact CG2-CE2 3.43Å; I372-F376 VanDerWaalsContact CG2-CE2 3.43Å; I372-F376 VanDerWaalsContact O-CD2 3.24Å; I372-F376 WeakPolarHBondContact O-CD2 3.32Å; I372-F376 PolarHBondContact O-N 2.87Å |
| 373 | D | 90.1 | Very high | 87.6 | Confident | 85 Ų | 85 | 94.7 Ų | 94.7 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 178.2 | -73.9 | -22.3 | 0 | 0 | 0 | 111.5 | R369 F376 R377 | R369-D373 WeakPolarHBondContact O-CB 3.41Å; R369-D373 VanDerWaalsContact O-CG 3.27Å; R369-D373 PolarHBondContact O-N 3.28Å; D373-F376 PolarHBondContact O-N 3.21Å; D373-R377 VanDerWaalsContact O-CB 3.28Å; D373-R377 WeakPolarHBondContact O-CB 3.33Å; D373-R377 PolarHBondContact O-N 3.18Å |
| 374 | E | 89.7 | Confident | 87.2 | Confident | 85 Ų | 85 | 97 Ų | 97 | 40% | 0.397 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.7 | -178 | 65.9 | -179.2 | 0 | 0 | 112 | A370 V371 I372 R377 M378 | A370-E374 VanDerWaalsContact O-CB 3.32Å; A370-E374 WeakPolarHBondContact O-CB 3.4Å; A370-E374 PolarHBondContact O-N 3.02Å; V371-E374 PolarHBondContact O-N 3.09Å; I372-E374 VanDerWaalsContact C-N 3.29Å; I372-E374 PolarHBondContact O-N 2.97Å; E374-R377 WeakPolarHBondContact O-CB 3.35Å; E374-R377 PolarHBondContact O-N 2.94Å; E374-R377 IonicContact OE1-CZ 3.21Å; E374-R377 IonicContact OE1-NE 3.76Å; E374-R377 IonicContact OE1-NH2 2.71Å; E374-R377 PolarHBondContact OE1-NH2 2.97Å; E374-R377 IonicContact OE2-CZ 3.43Å; E374-R377 VanDerWaalsContact OE2-CZ 3.26Å; E374-R377 IonicContact OE2-NE 4Å; E374-R377 PolarHBondContact OE2-NE 2.56Å; E374-R377 IonicContact OE2-NH2 2.94Å; E374-R377 PolarHBondContact OE2-NH2 2.81Å; E374-M378 WeakPolarHBondContact O-CG 3.43Å; E374-M378 PolarHBondContact O-N 2.9Å |
| 375 | I | 87.1 | Confident | 86.8 | Confident | 87 Ų | 87 | 97.5 Ų | 97.5 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 173.6 | -68.4 | 166.1 | 0 | 0 | 0 | 110.2 | V371 I372 R377 M378 M379 | V371-I375 HydrophobicContact CG1-CD1 3.98Å; V371-I375 WeakPolarHBondContact O-CG1 3.44Å; V371-I375 PolarHBondContact O-N 3.22Å; I372-I375 PolarHBondContact O-N 3.32Å; I375-R377 VanDerWaalsContact C-N 3.26Å; I375-R377 PolarHBondContact O-N 2.84Å; I375-M378 WeakPolarHBondContact O-CB 3.4Å; I375-M378 PolarHBondContact O-N 3.34Å; I375-M378 VanDerWaalsContact O-N 3.09Å; I375-M379 HydrophobicContact CG2-CG 4.4Å; I375-M379 HydrophobicContact CG2-SD 4.11Å; I375-M379 WeakPolarHBondContact O-CG 3.4Å; I375-M379 PolarHBondContact O-N 3.25Å |
| 376 | F | 87.8 | Confident | 86 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 176.5 | -81.5 | -64.6 | 0 | 0 | 0 | 112.5 | I372 D373 R380 | I372-F376 HydrophobicContact CG2-CD2 3.56Å; I372-F376 HydrophobicContact CG2-CE2 3.43Å; I372-F376 VanDerWaalsContact CG2-CE2 3.43Å; I372-F376 VanDerWaalsContact O-CD2 3.24Å; I372-F376 WeakPolarHBondContact O-CD2 3.32Å; I372-F376 PolarHBondContact O-N 2.87Å; D373-F376 PolarHBondContact O-N 3.21Å; F376-R380 WeakPolarHBondContact O-CB 3.46Å; F376-R380 WeakPolarHBondContact O-CG 3.28Å; F376-R380 PolarHBondContact O-N 3.46Å; F376-R380 PolarHBondContact O-NE 3.43Å |
| 377 | R | 89.9 | Confident | 85.3 | Confident | 70 Ų | 70 | 99.2 Ų | 99.2 | 26% | 0.264 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67 | -41 | 173.7 | -166.4 | -164.7 | 59.9 | 54.6 | -19.1 | 111.2 | D373 E374 I375 R381 | D373-R377 VanDerWaalsContact O-CB 3.28Å; D373-R377 WeakPolarHBondContact O-CB 3.33Å; D373-R377 PolarHBondContact O-N 3.18Å; E374-R377 WeakPolarHBondContact O-CB 3.35Å; E374-R377 PolarHBondContact O-N 2.94Å; E374-R377 IonicContact OE1-CZ 3.21Å; E374-R377 IonicContact OE1-NE 3.76Å; E374-R377 IonicContact OE1-NH2 2.71Å; E374-R377 PolarHBondContact OE1-NH2 2.97Å; E374-R377 IonicContact OE2-CZ 3.43Å; E374-R377 VanDerWaalsContact OE2-CZ 3.26Å; E374-R377 IonicContact OE2-NE 4Å; E374-R377 PolarHBondContact OE2-NE 2.56Å; E374-R377 IonicContact OE2-NH2 2.94Å; E374-R377 PolarHBondContact OE2-NH2 2.81Å; I375-R377 VanDerWaalsContact C-N 3.26Å; I375-R377 PolarHBondContact O-N 2.84Å; R377-R381 VanDerWaalsContact NH1-NH1 3.11Å; R377-R381 WeakPolarHBondContact O-CG 3.44Å; R377-R381 PolarHBondContact O-N 3.42Å; R377-R381 VanDerWaalsContact O-N 3.13Å |
| 378 | M | 85.5 | Confident | 84.5 | Confident | 113 Ų | 113 | 104.1 Ų | 104.1 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.8 | -47.6 | 174.9 | -73.6 | 178.7 | 63.4 | 0 | 0 | 111.5 | E374 I375 R380 R381 Y382 | E374-M378 WeakPolarHBondContact O-CG 3.43Å; E374-M378 PolarHBondContact O-N 2.9Å; I375-M378 WeakPolarHBondContact O-CB 3.4Å; I375-M378 PolarHBondContact O-N 3.34Å; I375-M378 VanDerWaalsContact O-N 3.09Å; M378-R380 PolarHBondContact O-N 3.45Å; M378-R381 PolarHBondContact O-N 3.41Å; M378-Y382 PolarHBondContact O-N 3.17Å |
| 379 | M | 86.2 | Confident | 83.5 | Confident | 109 Ų | 109 | 101.4 Ų | 101.4 | 54% | 0.537 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 177 | -69.7 | -179.6 | 75.6 | 0 | 0 | 111.9 | I375 R381 Y382 M383 | I375-M379 HydrophobicContact CG2-CG 4.4Å; I375-M379 HydrophobicContact CG2-SD 4.11Å; I375-M379 WeakPolarHBondContact O-CG 3.4Å; I375-M379 PolarHBondContact O-N 3.25Å; M379-R381 PolarHBondContact O-N 3.38Å; M379-Y382 PolarHBondContact O-N 3.37Å; M379-M383 WeakPolarHBondContact O-CG 3.41Å; M379-M383 PolarHBondContact O-N 3.13Å |
| 380 | R | 89.2 | Confident | 82.5 | Confident | 158 Ų | 158 | 97.2 Ų | 97.2 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 175.3 | -79.8 | -177.2 | -77.6 | -164.2 | -2.7 | 112.7 | F376 M378 Y382 M383 V384 | F376-R380 WeakPolarHBondContact O-CB 3.46Å; F376-R380 WeakPolarHBondContact O-CG 3.28Å; F376-R380 PolarHBondContact O-N 3.46Å; F376-R380 PolarHBondContact O-NE 3.43Å; M378-R380 PolarHBondContact O-N 3.45Å; R380-Y382 VanDerWaalsContact C-N 3.33Å; R380-M383 PolarHBondContact O-N 3.13Å; R380-V384 WeakPolarHBondContact O-CG2 3.38Å; R380-V384 PolarHBondContact O-N 3.32Å; R380-V384 VanDerWaalsContact O-N 3.13Å |
| 381 | R | 86.4 | Confident | 81.2 | Confident | 158 Ų | 158 | 102 Ų | 102 | 60% | 0.596 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 174.4 | -74.7 | -174.8 | -174.6 | 169.3 | 6 | 111.4 | R377 M378 M379 V384 V385 | R377-R381 VanDerWaalsContact NH1-NH1 3.11Å; R377-R381 WeakPolarHBondContact O-CG 3.44Å; R377-R381 PolarHBondContact O-N 3.42Å; R377-R381 VanDerWaalsContact O-N 3.13Å; M378-R381 PolarHBondContact O-N 3.41Å; M379-R381 PolarHBondContact O-N 3.38Å; R381-V384 PolarHBondContact O-N 3.38Å; R381-V385 WeakPolarHBondContact O-CG2 3.39Å; R381-V385 PolarHBondContact O-N 3.14Å; R381-V385 VanDerWaalsContact O-N 3.14Å |
| 382 | Y | 80.3 | Confident | 79.9 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 43% | 0.427 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -42 | 178.1 | -173.5 | -104.6 | 0 | 0 | 0 | 112.1 | M378 M379 R380 V384 V385 L386 I397 | M378-Y382 PolarHBondContact O-N 3.17Å; M379-Y382 PolarHBondContact O-N 3.37Å; R380-Y382 VanDerWaalsContact C-N 3.33Å; Y382-V384 PolarHBondContact O-N 2.94Å; Y382-V385 WeakPolarHBondContact O-CB 3.36Å; Y382-V385 PolarHBondContact O-N 3.41Å; Y382-V385 VanDerWaalsContact O-N 3.17Å; Y382-L386 HydrophobicContact CD1-CD1 3.73Å; Y382-L386 HydrophobicContact CD1-CG 4.15Å; Y382-L386 HydrophobicContact CE1-CD1 3.39Å; Y382-L386 HydrophobicContact CE1-CD2 4.26Å; Y382-L386 HydrophobicContact CE1-CG 3.87Å; Y382-L386 WeakPolarHBondContact O-CG 3.47Å; Y382-L386 PolarHBondContact O-N 3.22Å; Y382-I397 HydrophobicContact CE2-CG2 4.37Å; Y382-I397 WeakPolarHBondContact OH-CG2 3.43Å |
| 383 | M | 81.1 | Confident | 78.4 | Confident | 105 Ų | 105 | 101 Ų | 101 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.4 | -74.9 | -177.6 | 60.7 | 0 | 0 | 112.7 | M379 R380 V385 L386 E387 | M379-M383 WeakPolarHBondContact O-CG 3.41Å; M379-M383 PolarHBondContact O-N 3.13Å; R380-M383 PolarHBondContact O-N 3.13Å; M383-V385 VanDerWaalsContact C-N 3.28Å; M383-V385 PolarHBondContact O-N 3.21Å; M383-L386 PolarHBondContact O-N 2.71Å; M383-L386 VanDerWaalsContact O-N 3.17Å; M383-E387 WeakPolarHBondContact O-CG 3.1Å; M383-E387 PolarHBondContact O-N 3.14Å |
| 384 | V | 80.8 | Confident | 76.7 | Confident | 66 Ų | 66 | 101.7 Ų | 101.7 | 40% | 0.4 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 176.2 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | R380 R381 Y382 R388 | R380-V384 WeakPolarHBondContact O-CG2 3.38Å; R380-V384 PolarHBondContact O-N 3.32Å; R380-V384 VanDerWaalsContact O-N 3.13Å; R381-V384 PolarHBondContact O-N 3.38Å; Y382-V384 PolarHBondContact O-N 2.94Å; V384-R388 WeakPolarHBondContact O-CG 3.44Å; V384-R388 PolarHBondContact O-N 3.33Å |
| 385 | V | 78.7 | Confident | 75 | Confident | 80 Ų | 80 | 106.8 Ų | 106.8 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | R381 Y382 M383 E387 R388 L389 | R381-V385 WeakPolarHBondContact O-CG2 3.39Å; R381-V385 PolarHBondContact O-N 3.14Å; R381-V385 VanDerWaalsContact O-N 3.14Å; Y382-V385 WeakPolarHBondContact O-CB 3.36Å; Y382-V385 PolarHBondContact O-N 3.41Å; Y382-V385 VanDerWaalsContact O-N 3.17Å; M383-V385 VanDerWaalsContact C-N 3.28Å; M383-V385 PolarHBondContact O-N 3.21Å; V385-E387 VanDerWaalsContact C-N 3.34Å; V385-E387 PolarHBondContact O-N 3.28Å; V385-R388 PolarHBondContact O-N 3.06Å; V385-L389 WeakPolarHBondContact O-CG 3.42Å; V385-L389 PolarHBondContact O-N 3.1Å |
| 386 | L | 71.6 | Confident | 73.3 | Confident | 38 Ų | 38 | 109.3 Ų | 109.3 | 20% | 0.199 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -61.1 | -39 | 177.8 | -71.6 | 178.8 | 0 | 0 | 0 | 113 | Y382 M383 R388 L389 R394 I397 | Y382-L386 HydrophobicContact CD1-CD1 3.73Å; Y382-L386 HydrophobicContact CD1-CG 4.15Å; Y382-L386 HydrophobicContact CE1-CD1 3.39Å; Y382-L386 HydrophobicContact CE1-CD2 4.26Å; Y382-L386 HydrophobicContact CE1-CG 3.87Å; Y382-L386 WeakPolarHBondContact O-CG 3.47Å; Y382-L386 PolarHBondContact O-N 3.22Å; M383-L386 PolarHBondContact O-N 2.71Å; M383-L386 VanDerWaalsContact O-N 3.17Å; L386-R388 VanDerWaalsContact C-N 3.28Å; L386-R388 PolarHBondContact O-N 2.96Å; L386-L389 HydrophobicContact CD2-CD1 4Å; L386-L389 PolarHBondContact O-N 3.17Å; L386-R394 PolarHBondContact O-NE 3.35Å; L386-I397 HydrophobicContact CD2-CB 4.48Å; L386-I397 HydrophobicContact CD2-CD1 4.48Å |
| 387 | E | 74.2 | Confident | 71.6 | Confident | 126 Ų | 126 | 106.5 Ų | 106.5 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.1 | -31.1 | 177.1 | -76.3 | 175 | 178.5 | 0 | 0 | 112.8 | M383 V385 R394 | M383-E387 WeakPolarHBondContact O-CG 3.1Å; M383-E387 PolarHBondContact O-N 3.14Å; V385-E387 VanDerWaalsContact C-N 3.34Å; V385-E387 PolarHBondContact O-N 3.28Å; E387-R394 PolarHBondContact O-NH2 2.93Å |
| 388 | R | 72.2 | Confident | 69.8 | Low | 207 Ų | 207 | 109.6 Ų | 109.6 | 78% | 0.781 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -84 | -8.6 | 179.8 | -70.4 | 178 | -177.7 | -166.4 | -0.1 | 114.2 | V384 V385 L386 | V384-R388 WeakPolarHBondContact O-CG 3.44Å; V384-R388 PolarHBondContact O-N 3.33Å; V385-R388 PolarHBondContact O-N 3.06Å; L386-R388 VanDerWaalsContact C-N 3.28Å; L386-R388 PolarHBondContact O-N 2.96Å |
| 389 | L | 65.7 | Low | 67.9 | Low | 37 Ų | 37 | 107.8 Ų | 107.8 | 19% | 0.194 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -75.6 | 136.4 | 176.7 | -71.4 | 166 | 0 | 0 | 0 | 110.4 | V385 L386 D393 R394 I397 | V385-L389 WeakPolarHBondContact O-CG 3.42Å; V385-L389 PolarHBondContact O-N 3.1Å; L386-L389 HydrophobicContact CD2-CD1 4Å; L386-L389 PolarHBondContact O-N 3.17Å; L389-D393 HydrophobicContact CB-CB 4.25Å; L389-D393 HydrophobicContact CD2-CB 4.11Å; L389-R394 HydrophobicContact CB-CG 3.89Å; L389-R394 PolarHBondContact O-NE 3.41Å; L389-I397 HydrophobicContact CD1-CD1 3.3Å; L389-I397 HydrophobicContact CD1-CG1 4.25Å |
| 390 | P | 68.1 | Low | 65.6 | Low | 82 Ų | 82 | 111.2 Ų | 111.2 | 53% | 0.532 | 53% | 0.53 | S | S | . | . | trans | -50.9 | 145.6 | 167.5 | -20.7 | 30.8 | 0 | 0 | 0 | 110 | G392 D393 R394 | P390-G392 PolarHBondContact O-N 3.06Å; P390-D393 PolarHBondContact O-N 3.25Å; P390-R394 PolarHBondContact O-N 3.34Å | ||
| 391 | E | 61.9 | Low | 63.4 | Low | 158 Ų | 158 | 113.1 Ų | 113.1 | 74% | 0.738 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -27.6 | -176.1 | -76.9 | 177.9 | 155.1 | 0 | 0 | 113.6 | ||
| 392 | G | 61.8 | Low | 61.3 | Low | 56 Ų | 56 | 111.6 Ų | 111.6 | 58% | 0.577 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P390 | P390-G392 PolarHBondContact O-N 3.06Š|
| 393 | D | 58.4 | Low | 59.5 | Low | 78 Ų | 78 | 112.7 Ų | 112.7 | 42% | 0.417 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | -15.4 | -175.8 | -69.6 | -25.2 | 0 | 0 | 0 | 113.2 | L389 P390 Y395 H396 | L389-D393 HydrophobicContact CB-CB 4.25Å; L389-D393 HydrophobicContact CD2-CB 4.11Å; P390-D393 PolarHBondContact O-N 3.25Å; D393-Y395 PolarHBondContact O-N 3.18Å; D393-H396 PolarHBondContact O-N 3.17Å |
| 394 | R | 54.2 | Low | 57.5 | Low | 99 Ų | 99 | 110 Ų | 110 | 37% | 0.374 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -27.7 | 179.6 | -68.9 | -177.8 | -175.9 | -176.4 | -1.2 | 112.8 | L386 E387 L389 P390 | L386-R394 PolarHBondContact O-NE 3.35Å; E387-R394 PolarHBondContact O-NH2 2.93Å; L389-R394 HydrophobicContact CB-CG 3.89Å; L389-R394 PolarHBondContact O-NE 3.41Å; P390-R394 PolarHBondContact O-N 3.34Å |
| 395 | Y | 53.3 | Low | 55.5 | Low | 192 Ų | 192 | 112.8 Ų | 112.8 | 75% | 0.753 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -22.2 | -179.9 | -72.7 | -83.7 | 0 | 0 | 0 | 113.8 | D393 | D393-Y395 PolarHBondContact O-N 3.18Š|
| 396 | H | 51.5 | Low | 53.5 | Low | 141 Ų | 141 | 115.8 Ų | 115.8 | 65% | 0.653 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -22.5 | -177.8 | -83.5 | -58.9 | 0 | 0 | 0 | 114.2 | D393 S399 | D393-H396 PolarHBondContact O-N 3.17Å; H396-S399 PolarHBondContact O-OG 3.06Å |
| 397 | I | 52.5 | Low | 52 | Low | 54 Ų | 54 | 120.1 Ų | 120.1 | 28% | 0.277 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | -21.4 | -177.9 | -48.5 | -169.4 | 0 | 0 | 0 | 112.1 | Y382 L386 L389 S399 | Y382-I397 HydrophobicContact CE2-CG2 4.37Å; Y382-I397 WeakPolarHBondContact OH-CG2 3.43Å; L386-I397 HydrophobicContact CD2-CB 4.48Å; L386-I397 HydrophobicContact CD2-CD1 4.48Å; L389-I397 HydrophobicContact CD1-CD1 3.3Å; L389-I397 HydrophobicContact CD1-CG1 4.25Å; I397-S399 VanDerWaalsContact C-N 3.34Å |
| 398 | I | 52.4 | Low | 50.4 | Low | 135 Ų | 135 | 119 Ų | 119 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -16.5 | 178.3 | -55.8 | 177 | 0 | 0 | 0 | 111.3 | F400 | I398-F400 PolarHBondContact O-N 3.11Š|
| 399 | S | 44.7 | Very low | 48.5 | Very low | 75 Ų | 75 | 113.5 Ų | 113.5 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | trans | -91.5 | 63.6 | 173 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | H396 I397 R401 | H396-S399 PolarHBondContact O-OG 3.06Å; I397-S399 VanDerWaalsContact C-N 3.34Å; S399-R401 VanDerWaalsContact C-N 3.27Å; S399-R401 PolarHBondContact O-N 3.11Å | ||
| 400 | F | 39.6 | Very low | 47.3 | Very low | 182 Ų | 182 | 118.4 Ų | 118.4 | 80% | 0.798 | 66% | 0.657 | S | S | * | * | trans | -75.8 | 88.2 | 158 | -102.6 | -89.9 | 0 | 0 | 0 | 107.9 | I398 | I398-F400 PolarHBondContact O-N 3.11Š| ||
| 401 | R | 42.2 | Very low | 46 | Very low | 197 Ų | 197 | 122.4 Ų | 122.4 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -67.4 | 130.3 | 157.7 | -90.4 | -172.9 | 177 | 168.7 | -0.2 | 107.5 | S399 D403 | S399-R401 VanDerWaalsContact C-N 3.27Å; S399-R401 PolarHBondContact O-N 3.11Å; R401-D403 PolarHBondContact O-N 3.26Å | ||
| 402 | P | 42.4 | Very low | 45.1 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | trans | -75.9 | 70.4 | 166.9 | 33.8 | -30.8 | 0 | 0 | 0 | 107.5 | G404 | P402-G404 PolarHBondContact O-N 3.34Š| ||
| 403 | D | 42.3 | Very low | 44 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | -77.1 | 78.9 | 162.2 | -67.6 | -22.3 | 0 | 0 | 0 | 105.4 | R401 | R401-D403 PolarHBondContact O-N 3.26Š| ||
| 404 | G | 38.3 | Very low | 43.3 | Very low | 49 Ų | 49 | 127.4 Ų | 127.4 | 51% | 0.505 | 69% | 0.689 | S | S | . | * | trans | -57.4 | 153.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P402 T406 | P402-G404 PolarHBondContact O-N 3.34Å; G404-T406 PolarHBondContact O-N 3.23Å | ||
| 405 | P | 40.7 | Very low | 43 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | trans | -59.6 | 114.6 | 173.2 | 25.5 | -30.6 | 0 | 0 | 0 | 108 | V407 | P405-V407 VanDerWaalsContact C-N 3.26Å; P405-V407 PolarHBondContact O-N 3.47Å | ||
| 406 | T | 36.7 | Very low | 42.7 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 87% | 0.871 | 70% | 0.704 | S | S | * | * | trans | -56.7 | 94.3 | 161.9 | 32.1 | 0 | 0 | 0 | 0 | 107.7 | G404 S408 | G404-T406 PolarHBondContact O-N 3.23Å; T406-S408 PolarHBondContact O-N 3.25Å | ||
| 407 | V | 38.8 | Very low | 42.5 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | trans | -70.4 | 106.1 | 162.6 | 177.8 | 0 | 0 | 0 | 0 | 105.4 | P405 A409 | P405-V407 VanDerWaalsContact C-N 3.26Å; P405-V407 PolarHBondContact O-N 3.47Å; V407-A409 PolarHBondContact O-N 3.25Å | ||
| 408 | S | 40.1 | Very low | 42 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -56.2 | 118.2 | 173.2 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | T406 N410 | T406-S408 PolarHBondContact O-N 3.25Å; S408-N410 PolarHBondContact O-N 3.47Å | ||
| 409 | A | 33 | Very low | 41.8 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -63.5 | 125.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V407 | V407-A409 PolarHBondContact O-N 3.25Š| ||
| 410 | N | 40.3 | Very low | 41.6 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -148 | 103 | 153.9 | -89.2 | -9 | 0 | 0 | 0 | 104.2 | S408 | S408-N410 PolarHBondContact O-N 3.47Š| ||
| 411 | E | 40.2 | Very low | 41.6 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | 72.1 | 100.3 | 95.7 | -77.5 | -172 | 166 | 0 | 0 | 112.9 | |||||
| 412 | H | 43.4 | Very low | 41.6 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 165.7 | 111.5 | 131.9 | -90.5 | -60.5 | 0 | 0 | 0 | 107.6 | ||||
| 413 | D | 39.8 | Very low | 41.3 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | 57 | 125.5 | 95.6 | -72.7 | -32.4 | 0 | 0 | 0 | 111.5 | |||||
| 414 | S | 43.8 | Very low | 41 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | cis | 174.9 | 153.2 | 15 | 48.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 415 | V | 47.3 | Very low | 41.1 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 72.6 | 133 | 144.4 | 170.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 416 | E | 47.4 | Very low | 40.7 | Very low | 150 Ų | 150 | 136 Ų | 136 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -164.7 | 148.2 | 10 | -121.4 | 167.2 | -148.3 | 0 | 0 | 109.4 | ||||
| 417 | E | 46.4 | Very low | 40.6 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 50.9 | 131.8 | 134.8 | -70.1 | 177.1 | -178.6 | 0 | 0 | 124.9 | ||||
| 418 | D | 42.5 | Very low | 40.7 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 70.8 | 118.8 | 139.5 | -59.4 | -11.1 | 0 | 0 | 0 | 121.4 | ||||
| 419 | D | 47.3 | Very low | 40.5 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | -178.8 | 141.6 | 96.7 | -158.9 | 4.8 | 0 | 0 | 0 | 112.2 | |||||
| 420 | D | 41.7 | Very low | 40.8 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -68.5 | 139.1 | -177.8 | -86.9 | -53 | 0 | 0 | 0 | 113.2 | ||||
| 421 | G | 38.7 | Very low | 40.8 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -160.3 | 62 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 422 | A | 42.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 14.6 | 111.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | P424 | A422-P424 WeakPolarHBondContact O-CD 3.5Š| ||
| 423 | R | 36.2 | Very low | 41.4 | Very low | 245 Ų | 245 | 130.4 Ų | 130.4 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 120.7 | 170.1 | -164 | -178.6 | -166.8 | -166.6 | 5.6 | 111.3 | ||
| 424 | P | 37 | Very low | 41.8 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 125.7 | 169.9 | -3.8 | 23.2 | 0 | 0 | 0 | 111.2 | A422 | A422-P424 WeakPolarHBondContact O-CD 3.5Š|
| 425 | S | 39.1 | Very low | 41.8 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 135.1 | 172.3 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | S427 | S425-S427 PolarHBondContact O-N 2.95Š|
| 426 | V | 33.2 | Very low | 41.7 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 96% | 0.964 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -73.4 | 86.9 | 176.6 | -160 | 0 | 0 | 0 | 0 | 109.5 | ||
| 427 | S | 33.8 | Very low | 41.4 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -157.7 | 83.6 | 177.1 | 163.1 | 0 | 0 | 0 | 0 | 110.8 | S425 | S425-S427 PolarHBondContact O-N 2.95Š| ||
| 428 | S | 40.7 | Very low | 41.2 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | 171.6 | 103.5 | 140.6 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | Q430 | S428-Q430 PolarHBondContact O-N 2.85Å; S428-Q430 VanDerWaalsContact O-N 3.13Å | ||
| 429 | F | 35.7 | Very low | 41.3 | Very low | 223 Ų | 223 | 141.6 Ų | 141.6 | 98% | 0.978 | 77% | 0.77 | S | S | * | * | trans | -71.4 | 98 | 160.2 | -103 | -95.3 | 0 | 0 | 0 | 108.4 | ||||
| 430 | Q | 39.3 | Very low | 41 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -85 | 117.1 | 167.1 | -91.4 | 175.6 | -5 | 0 | 0 | 110.2 | S428 | S428-Q430 PolarHBondContact O-N 2.85Å; S428-Q430 VanDerWaalsContact O-N 3.13Å | ||
| 431 | C | 40.8 | Very low | 40.9 | Very low | 51 Ų | 51 | 141.5 Ų | 141.5 | 35% | 0.345 | 77% | 0.768 | S | S | . | * | trans | -59 | 136.2 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | C433 Q434 | C431-C433 HydrophobicContact CB-CB 4.42Å; C431-C433 WeakPolarHBondContact CB-SG 3.32Å; C431-C433 PolarHBondContact O-N 2.88Å; C431-C433 WeakPolarHBondContact SG-CB 3.47Å; C431-C433 PolarHBondContact SG-N 2.91Å; C431-C433 CovalentContact SG-SG 2.06Å; C431-C433 PolarHBondContact SG-SG 3.21Å; C431-Q434 HydrophobicContact CB-CG 4.22Å; C431-Q434 PolarHBondContact O-N 3.04Å | ||
| 432 | P | 43.1 | Very low | 41.1 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -12.9 | 169.7 | -24 | 33.8 | 0 | 0 | 0 | 114.5 | ||
| 433 | C | 53.8 | Low | 41.1 | Very low | 92 Ų | 92 | 149.6 Ų | 149.6 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -16.6 | 172 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | C431 | C431-C433 HydrophobicContact CB-CB 4.42Å; C431-C433 WeakPolarHBondContact CB-SG 3.32Å; C431-C433 PolarHBondContact O-N 2.88Å; C431-C433 WeakPolarHBondContact SG-CB 3.47Å; C431-C433 PolarHBondContact SG-N 2.91Å; C431-C433 CovalentContact SG-SG 2.06Å; C431-C433 PolarHBondContact SG-SG 3.21Å |
| 434 | Q | 48.9 | Very low | 41.6 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -0.4 | 178.6 | -69.1 | -168.5 | -9.2 | 0 | 0 | 113.7 | C431 R436 | C431-Q434 HydrophobicContact CB-CG 4.22Å; C431-Q434 PolarHBondContact O-N 3.04Å; Q434-R436 VanDerWaalsContact C-N 3.33Å |
| 435 | L | 43.9 | Very low | 41.7 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 6.2 | 174.8 | -68.8 | 170.6 | 0 | 0 | 0 | 113.8 | ||
| 436 | R | 45.2 | Very low | 41.8 | Very low | 237 Ų | 237 | 150.3 Ų | 150.3 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -114.1 | 71 | 172.7 | -73 | -174.2 | 179.7 | -131.3 | 0.9 | 110.7 | Q434 | Q434-R436 VanDerWaalsContact C-N 3.33Š|
| 437 | G | 40 | Very low | 42.3 | Very low | 62 Ų | 62 | 151.9 Ų | 151.9 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | -166.5 | -3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | K439 | G437-K439 PolarHBondContact O-N 2.89Š| ||
| 438 | R | 42 | Very low | 42.8 | Very low | 253 Ų | 253 | 151.6 Ų | 151.6 | 96% | 0.955 | 78% | 0.776 | S | S | * | * | trans | -81.1 | 96.6 | 177.2 | -80.6 | -171 | 173.2 | -168.9 | -1.2 | 111 | R440 | R438-R440 PolarHBondContact O-N 2.97Š| ||
| 439 | K | 44.5 | Very low | 42.9 | Very low | 202 Ų | 202 | 154 Ų | 154 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | -41 | 120.4 | 165.6 | -70.6 | 176.3 | 174.9 | 177.8 | 0 | 110.7 | G437 G441 | G437-K439 PolarHBondContact O-N 2.89Å; K439-G441 PolarHBondContact O-N 3.2Å; K439-G441 VanDerWaalsContact O-N 3.11Å | ||
| 440 | R | 41.1 | Very low | 43.5 | Very low | 244 Ų | 244 | 148.9 Ų | 148.9 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -67.2 | 100.8 | 159.1 | -76.8 | -177.5 | 174.2 | -171.5 | -3 | 107.4 | R438 T442 | R438-R440 PolarHBondContact O-N 2.97Å; R440-T442 PolarHBondContact O-N 2.84Å | ||
| 441 | G | 39.5 | Very low | 43.6 | Very low | 75 Ų | 75 | 149.2 Ų | 149.2 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -70.2 | 110.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | K439 K443 | K439-G441 PolarHBondContact O-N 3.2Å; K439-G441 VanDerWaalsContact O-N 3.11Å; G441-K443 PolarHBondContact O-N 3.49Å | ||
| 442 | T | 44 | Very low | 43.9 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -70 | 111.4 | 173.4 | 30 | 0 | 0 | 0 | 0 | 109.8 | R440 K444 | R440-T442 PolarHBondContact O-N 2.84Å; T442-K444 PolarHBondContact O-N 3.22Å | ||
| 443 | K | 41.9 | Very low | 44.3 | Very low | 211 Ų | 211 | 152.1 Ų | 152.1 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -66 | 110.9 | 158.2 | -81.7 | -179.3 | 173.7 | 179.2 | 0 | 107.8 | G441 | G441-K443 PolarHBondContact O-N 3.49Š| ||
| 444 | K | 45.5 | Very low | 43.8 | Very low | 201 Ų | 201 | 159.8 Ų | 159.8 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -102.3 | 120.4 | 158.9 | -95.4 | -171.8 | 173.7 | -174.5 | 0 | 107.8 | T442 | T442-K444 PolarHBondContact O-N 3.22Š| ||
| 445 | G | 40.4 | Very low | 43.6 | Very low | 83 Ų | 83 | 160.6 Ų | 160.6 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | trans | -63.6 | 145.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 446 | K | 41.5 | Very low | 43.6 | Very low | 200 Ų | 200 | 161.9 Ų | 161.9 | 87% | 0.87 | 85% | 0.851 | S | S | * | * | trans | -107.2 | 157.2 | 171.1 | -114.4 | -177 | 178.6 | -178.8 | 0 | 107.8 | ||||
| 447 | K | 43.8 | Very low | 43.5 | Very low | 191 Ų | 191 | 157.7 Ų | 157.7 | 83% | 0.83 | 85% | 0.849 | S | S | * | * | trans | 91.1 | 105.2 | 165.3 | -69.7 | -173.7 | 174.5 | -172.8 | 0 | 114.8 | ||||
| 448 | S | 44.3 | Very low | 43.7 | Very low | 94 Ų | 94 | 163.4 Ų | 163.4 | 66% | 0.657 | 86% | 0.861 | S | S | * | * | 90.6 | 138.8 | 85.4 | 67.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 449 | D | 42.7 | Very low | 43.8 | Very low | 151 Ų | 151 | 157.8 Ų | 157.8 | 81% | 0.807 | 86% | 0.855 | S | S | * | * | cis | -161.9 | -174.7 | 4.6 | -91.4 | -28.9 | 0 | 0 | 0 | 106.1 | ||||
| 450 | S | 47.4 | Very low | 43.8 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 80% | 0.797 | 85% | 0.854 | S | S | * | * | trans | 84.3 | 94 | 171.2 | 76.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 451 | N | 42 | Very low | 43.9 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 85% | 0.849 | S | S | * | * | 58.6 | 108.5 | 77.5 | -117.2 | 43.2 | 0 | 0 | 0 | 114 | |||||
| 452 | D | 46.8 | Very low | 44.3 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 81% | 0.813 | 86% | 0.855 | S | S | * | * | 145.2 | 129.1 | 121.7 | -75.1 | -18.3 | 0 | 0 | 0 | 112.4 | |||||
| 453 | G | 50.9 | Low | 44.3 | Very low | 75 Ų | 75 | 156 Ų | 156 | 77% | 0.773 | 86% | 0.859 | S | S | * | * | trans | 132.5 | 100.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 454 | L | 44.7 | Very low | 44.5 | Very low | 254 Ų | 254 | 151 Ų | 151 | 100% | 1.33 | 85% | 0.853 | S | S | * | * | trans | 83.7 | 0 | 165 | -73.1 | 155.2 | 0 | 0 | 0 | 119.1 |
Retrieved 454 of 454 residues in 107.4 ms
(Link to these results)