| 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 | 27.9 | Very low | 38.6 | Very low | 236 Ų | 236 | 175.6 Ų | 175.6 | 100% | 1.163 | 84% | 0.841 | S | S | * | * | 0 | 142 | 0 | -81.8 | -72.5 | 171.5 | 0 | 0 | 107.9 | |||||
| 2 | P | 54.1 | Low | 38.3 | Very low | 97 Ų | 97 | 169 Ų | 169 | 63% | 0.63 | 84% | 0.837 | S | S | * | * | -138.4 | 174.1 | -89.3 | 35 | -17 | 0 | 0 | 0 | 114.9 | |||||
| 3 | R | 32.9 | Very low | 38.4 | Very low | 227 Ų | 227 | 168.5 Ų | 168.5 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | trans | 138.7 | 112.3 | 137 | -81.5 | 177.6 | 155.5 | 126.2 | -5.4 | 114.3 | ||||
| 4 | S | 35.4 | Very low | 38.2 | Very low | 122 Ų | 122 | 170.4 Ų | 170.4 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | -162.9 | 76.7 | 125.7 | 42.1 | 0 | 0 | 0 | 0 | 109.8 | L6 | S4-L6 PolarHBondContact O-N 3.45Š| |||
| 5 | F | 36.9 | Very low | 38 | Very low | 172 Ų | 172 | 171.2 Ų | 171.2 | 75% | 0.754 | 84% | 0.837 | S | S | * | * | trans | -56.6 | 123.4 | 151.8 | -82 | -106.5 | 0 | 0 | 0 | 108.1 | ||||
| 6 | L | 42.4 | Very low | 38.5 | Very low | 149 Ų | 149 | 163.4 Ų | 163.4 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -168.2 | 61 | 151.9 | -101.8 | 175.2 | 0 | 0 | 0 | 111.5 | S4 | S4-L6 PolarHBondContact O-N 3.45Š| ||
| 7 | V | 39.3 | Very low | 38.7 | Very low | 153 Ų | 153 | 159.4 Ų | 159.4 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | trans | -121.3 | 58.7 | 144.9 | -168.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 8 | K | 43.3 | Very low | 39.2 | Very low | 153 Ų | 153 | 154.2 Ų | 154.2 | 67% | 0.665 | 76% | 0.757 | S | S | * | * | trans | -140.5 | 94 | 167 | -81.6 | -175.2 | 179.3 | 178 | 0 | 107.1 | ||||
| 9 | K | 41.3 | Very low | 39.5 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | trans | 167.3 | 152.2 | 147.7 | -90.9 | 161.4 | -176.4 | -172.5 | 0 | 108.3 | ||||
| 10 | Y | 32.5 | Very low | 39.8 | Very low | 223 Ų | 223 | 151.4 Ų | 151.4 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 77.3 | 74.1 | -157.9 | -53.7 | -75.2 | 0 | 0 | 0 | 111.6 | ||
| 11 | F | 38.5 | Very low | 40.6 | Very low | 214 Ų | 214 | 146.2 Ų | 146.2 | 94% | 0.939 | 73% | 0.727 | S | S | * | * | S | Bend | -128.3 | 125.2 | 54.6 | -71.3 | -94 | 0 | 0 | 0 | 111.7 | |||
| 12 | A | 35.5 | Very low | 41.9 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 79% | 0.793 | 71% | 0.711 | S | S | * | * | trans | -59.1 | 138.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K14 | A12-K14 PolarHBondContact O-N 2.89Š| ||
| 13 | N | 38.8 | Very low | 42.4 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 87% | 0.866 | 69% | 0.686 | S | S | * | * | trans | -44.4 | 89.9 | 171.5 | -80.6 | -63.2 | 0 | 0 | 0 | 113.1 | ||||
| 14 | K | 35.6 | Very low | 44 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 85% | 0.852 | 68% | 0.679 | S | S | * | * | trans | -97.5 | 104.2 | 143.6 | -97.7 | -176.2 | 176.1 | -177.1 | 0 | 105.9 | A12 P16 | A12-K14 PolarHBondContact O-N 2.89Å; K14-P16 WeakPolarHBondContact O-CD 3.15Å; K14-P16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | K | 36.2 | Very low | 44.7 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | trans | -46.6 | 121 | 157.9 | -65 | 179 | -179.4 | 177.3 | 0 | 105.3 | N17 | K15-N17 PolarHBondContact O-N 3.15Š| ||
| 16 | P | 45.4 | Very low | 45.2 | Very low | 47 Ų | 47 | 130.6 Ų | 130.6 | 31% | 0.305 | 66% | 0.656 | S | S | . | * | trans | -57.1 | 116.5 | 174.6 | 21.9 | -29.7 | 0 | 0 | 0 | 105.9 | K14 Y18 I192 T196 | K14-P16 WeakPolarHBondContact O-CD 3.15Å; K14-P16 VanDerWaalsContact O-N 3.1Å; P16-Y18 VanDerWaalsContact C-N 3.25Å; P16-Y18 HydrophobicContact CG-CE1 4.02Å; P16-Y18 HydrophobicContact CG-CE2 4.37Å; P16-Y18 VanDerWaalsContact O-CD2 3.3Å; P16-Y18 WeakPolarHBondContact O-CD2 2.99Å; P16-Y18 PolarHBondContact O-N 3.33Å; P16-I192 HydrophobicContact CG-CG2 4.33Å; P16-T196 HydrophobicContact CG-CG2 4.25Å | ||
| 17 | N | 41.2 | Very low | 45.3 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 50% | 0.503 | 65% | 0.65 | S | S | . | * | trans | -66.7 | 94.8 | 178.7 | -171.2 | -37 | 0 | 0 | 0 | 106.1 | K15 S19 E20 | K15-N17 PolarHBondContact O-N 3.15Å; N17-S19 PolarHBondContact O-N 3.43Å; N17-S19 VanDerWaalsContact OD1-CB 3.27Å; N17-S19 WeakPolarHBondContact OD1-CB 3.3Å; N17-S19 PolarHBondContact OD1-N 3.32Å; N17-S19 PolarHBondContact OD1-OG 2.82Å; N17-E20 PolarHBondContact O-N 2.94Å | ||
| 18 | Y | 47.8 | Very low | 45.2 | Very low | 66 Ų | 66 | 126.6 Ų | 126.6 | 26% | 0.259 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -10.3 | -173.4 | -66.8 | -71.8 | 0 | 0 | 0 | 113.3 | P16 I192 E198 | P16-Y18 VanDerWaalsContact C-N 3.25Å; P16-Y18 HydrophobicContact CG-CE1 4.02Å; P16-Y18 HydrophobicContact CG-CE2 4.37Å; P16-Y18 VanDerWaalsContact O-CD2 3.3Å; P16-Y18 WeakPolarHBondContact O-CD2 2.99Å; P16-Y18 PolarHBondContact O-N 3.33Å; Y18-I192 HydrophobicContact CE1-CG2 4.05Å; Y18-E198 PolarHBondContact OH-OE2 3.33Å |
| 19 | S | 44.8 | Very low | 45.1 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -20.2 | 174.5 | -8.7 | 0 | 0 | 0 | 0 | 113.5 | N17 | N17-S19 PolarHBondContact O-N 3.43Å; N17-S19 VanDerWaalsContact OD1-CB 3.27Å; N17-S19 WeakPolarHBondContact OD1-CB 3.3Å; N17-S19 PolarHBondContact OD1-N 3.32Å; N17-S19 PolarHBondContact OD1-OG 2.82Å |
| 20 | E | 46.5 | Very low | 44.6 | Very low | 148 Ų | 148 | 121.6 Ų | 121.6 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | trans | -103.4 | 2.6 | -170.3 | -157 | 171.2 | -174.3 | 0 | 0 | 113.3 | N17 E22 | N17-E20 PolarHBondContact O-N 2.94Å; E20-E22 PolarHBondContact O-N 2.86Å | ||
| 21 | L | 56.5 | Low | 44.9 | Very low | 43 Ų | 43 | 122.2 Ų | 122.2 | 23% | 0.225 | 63% | 0.627 | C | S | . | * | trans | -75.5 | 68.6 | 168.5 | -75 | 138.4 | 0 | 0 | 0 | 109.3 | C23 L188 I192 | L21-C23 PolarHBondContact O-N 3.18Å; L21-L188 HydrophobicContact CD2-CD2 3.66Å; L21-L188 HydrophobicContact CD2-CG 4.16Å; L21-I192 HydrophobicContact CD1-CD1 3.42Å; L21-I192 VanDerWaalsContact CD1-CD1 3.42Å; L21-I192 HydrophobicContact CD2-CD1 3.56Å; L21-I192 HydrophobicContact CG-CD1 4.15Å | ||
| 22 | E | 55.1 | Low | 44.8 | Very low | 175 Ų | 175 | 122 Ų | 122 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -67.8 | 111 | 171.3 | -66 | -168 | 141 | 0 | 0 | 108.1 | E20 Q24 | E20-E22 PolarHBondContact O-N 2.86Å; E22-Q24 PolarHBondContact O-N 3.17Å | ||
| 23 | C | 65.1 | Low | 44.9 | Very low | 17 Ų | 17 | 123 Ų | 123 | 12% | 0.115 | 62% | 0.62 | C | S | . | * | trans | -66.5 | 131.4 | 166.7 | -61.5 | 0 | 0 | 0 | 0 | 107.4 | L21 N25 C173 P185 | L21-C23 PolarHBondContact O-N 3.18Å; C23-N25 PolarHBondContact O-N 3.41Å; C23-C173 HydrophobicContact CB-CB 4.12Å; C23-C173 WeakPolarHBondContact CB-SG 3.49Å; C23-C173 WeakPolarHBondContact SG-CB 3.24Å; C23-C173 CovalentContact SG-SG 2.04Å; C23-C173 PolarHBondContact SG-SG 3Å; C23-P185 VanDerWaalsContact SG-CB 3.58Å | ||
| 24 | Q | 66.7 | Low | 44.7 | Very low | 151 Ų | 151 | 123.2 Ų | 123.2 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | trans | -49 | 121.3 | 176.3 | -68.1 | 174.9 | -6.6 | 0 | 0 | 108.9 | E22 A26 P172 | E22-Q24 PolarHBondContact O-N 3.17Å; Q24-A26 PolarHBondContact O-N 3.46Å; Q24-P172 HydrophobicContact CB-CB 4.49Å; Q24-P172 PolarHBondContact N-O 2.83Å; Q24-P172 WeakPolarHBondContact O-CB 3.46Å | ||
| 25 | N | 49.9 | Very low | 44.7 | Very low | 137 Ų | 137 | 118 Ų | 118 | 73% | 0.733 | 61% | 0.614 | S | S | * | * | trans | -61.4 | 113.6 | -174.7 | -76.8 | -29.8 | 0 | 0 | 0 | 108.8 | C23 T27 | C23-N25 PolarHBondContact O-N 3.41Å; N25-T27 HydrophobicContact CB-CG2 4.44Å; N25-T27 WeakPolarHBondContact CB-OG1 3.44Å; N25-T27 PolarHBondContact O-N 3.16Å | ||
| 26 | A | 46.3 | Very low | 44.8 | Very low | 46 Ų | 46 | 118.2 Ų | 118.2 | 38% | 0.38 | 62% | 0.618 | S | S | . | * | trans | -74.3 | 43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q24 | Q24-A26 PolarHBondContact O-N 3.46Š| ||
| 27 | T | 44.2 | Very low | 44.4 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 66% | 0.663 | 64% | 0.643 | S | S | * | * | trans | -97.5 | 11.6 | -172.9 | 40.4 | 0 | 0 | 0 | 0 | 115.1 | N25 L29 | N25-T27 HydrophobicContact CB-CG2 4.44Å; N25-T27 WeakPolarHBondContact CB-OG1 3.44Å; N25-T27 PolarHBondContact O-N 3.16Å; T27-L29 PolarHBondContact O-N 2.95Å | ||
| 28 | S | 37.9 | Very low | 44.1 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | -76.3 | 68.7 | 159 | -79.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 29 | L | 41.4 | Very low | 43.6 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 40% | 0.398 | 68% | 0.68 | S | S | . | * | trans | -95.8 | 85.7 | 143.4 | -78.8 | 165.1 | 0 | 0 | 0 | 104.7 | T27 R31 L159 K163 | T27-L29 PolarHBondContact O-N 2.95Å; L29-R31 PolarHBondContact O-N 3.47Å; L29-L159 HydrophobicContact CD1-CD1 4Å; L29-L159 HydrophobicContact CD1-CG 4.49Å; L29-K163 HydrophobicContact CD1-CD 3.72Å; L29-K163 HydrophobicContact CD1-CG 3.63Å | ||
| 30 | E | 29.9 | Very low | 42.9 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | trans | -47.7 | 116.2 | 160.3 | -72.1 | -86.2 | 121.2 | 0 | 0 | 106.5 | Y32 | E30-Y32 PolarHBondContact O-N 2.9Š| ||
| 31 | R | 39.3 | Very low | 42.4 | Very low | 236 Ų | 236 | 124.6 Ų | 124.6 | 89% | 0.891 | 69% | 0.685 | S | S | * | * | trans | -61 | 109.3 | 160.6 | -80.4 | -178.1 | -173.8 | 133.1 | -2 | 104.6 | L29 | L29-R31 PolarHBondContact O-N 3.47Š| ||
| 32 | Y | 36.2 | Very low | 41.5 | Very low | 208 Ų | 208 | 129.2 Ų | 129.2 | 82% | 0.816 | 71% | 0.71 | S | S | * | * | trans | -56.9 | 129.6 | 156.9 | -85.9 | -89.8 | 0 | 0 | 0 | 107 | E30 L34 | E30-Y32 PolarHBondContact O-N 2.9Å; Y32-L34 PolarHBondContact O-N 3.15Å; Y32-L34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | P | 37.9 | Very low | 40.5 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -55 | 121.3 | 169.4 | -19.6 | 30.3 | 0 | 0 | 0 | 107.7 | A35 | P33-A35 PolarHBondContact O-N 3.39Š| ||
| 34 | L | 35.3 | Very low | 39.1 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -59.1 | 112.6 | 158.3 | -81.7 | 163.3 | 0 | 0 | 0 | 104.8 | Y32 E36 | Y32-L34 PolarHBondContact O-N 3.15Å; Y32-L34 VanDerWaalsContact O-N 3.12Å; L34-E36 PolarHBondContact O-N 2.76Å | ||
| 35 | A | 35.7 | Very low | 37.5 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -53.2 | 113.8 | 165 | 0 | 0 | 0 | 0 | 0 | 106.6 | P33 L37 | P33-A35 PolarHBondContact O-N 3.39Å; A35-L37 PolarHBondContact O-N 3.43Å | ||
| 36 | E | 36.9 | Very low | 36.8 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | trans | -63.9 | 107.9 | 168.2 | -65.3 | -156.3 | 136.8 | 0 | 0 | 106.4 | L34 P38 | L34-E36 PolarHBondContact O-N 2.76Å; E36-P38 WeakPolarHBondContact O-CD 3.4Å | ||
| 37 | L | 38.2 | Very low | 36.4 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120 | 164.8 | -72.7 | 165.1 | 0 | 0 | 0 | 106.3 | A35 A39 | A35-L37 PolarHBondContact O-N 3.43Å; L37-A39 PolarHBondContact O-N 2.87Å |
| 38 | P | 34.4 | Very low | 36.1 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 132.3 | 174.8 | 24.7 | -30.9 | 0 | 0 | 0 | 108.9 | E36 G40 | E36-P38 WeakPolarHBondContact O-CD 3.4Å; P38-G40 PolarHBondContact O-N 2.77Å |
| 39 | A | 37 | Very low | 35.9 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 120.9 | 169 | 0 | 0 | 0 | 0 | 0 | 108.5 | L37 D41 | L37-A39 PolarHBondContact O-N 2.87Å; A39-D41 PolarHBondContact O-N 2.71Å |
| 40 | G | 30.1 | Very low | 35.9 | Very low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 117.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P38 | P38-G40 PolarHBondContact O-N 2.77Š|
| 41 | D | 35.3 | Very low | 36.3 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -102.8 | 114.1 | 157.2 | -66.1 | -29.1 | 0 | 0 | 0 | 107.9 | A39 N43 | A39-D41 PolarHBondContact O-N 2.71Å; D41-N43 PolarHBondContact O-N 2.76Å | ||
| 42 | N | 38.8 | Very low | 36.3 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -73.6 | 107.1 | 176.6 | 43.9 | -45.4 | 0 | 0 | 0 | 110.8 | ||||
| 43 | N | 34.2 | Very low | 36.7 | Very low | 154 Ų | 154 | 127 Ų | 127 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -174.8 | 143 | 133.2 | -100.7 | -24.8 | 0 | 0 | 0 | 115.1 | D41 | D41-N43 PolarHBondContact O-N 2.76Š| ||
| 44 | S | 35.2 | Very low | 36.7 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 62.5 | 101.1 | 158.7 | 62.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 45 | A | 33.2 | Very low | 36.9 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | 48.3 | 132.1 | 124 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 46 | T | 35.5 | Very low | 36.9 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | 116.2 | 120.4 | 135.3 | -41 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 47 | T | 38.1 | Very low | 37.4 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | trans | 72.3 | 107.3 | 152.2 | 47.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 48 | C | 38.7 | Very low | 38 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -22.3 | 125.9 | 133.9 | 41.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 49 | Y | 33.3 | Very low | 38.4 | Very low | 219 Ų | 219 | 132.9 Ų | 132.9 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -141.4 | 136.5 | 151.7 | -95.4 | -82.9 | 0 | 0 | 0 | 110.7 | ||||
| 50 | T | 41.7 | Very low | 38.6 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -71 | 144.3 | -179.1 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 51 | A | 38.3 | Very low | 39.5 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 164.1 | 125.1 | 139.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 52 | G | 37.6 | Very low | 39.9 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | 89.1 | 80.9 | 37.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 53 | L | 44.6 | Very low | 40.1 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -134.6 | 107.2 | 164.7 | -74.4 | 179.2 | 0 | 0 | 0 | 110.9 | ||||
| 54 | V | 39.8 | Very low | 40.5 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -48 | 138 | 163.7 | -106 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 55 | W | 38.1 | Very low | 40.8 | Very low | 244 Ų | 244 | 138.8 Ų | 138.8 | 92% | 0.924 | 78% | 0.784 | S | S | * | * | trans | -94.8 | 103.2 | 166.2 | -70.5 | 11.5 | 0 | 0 | 0 | 108.2 | V57 | W55-V57 PolarHBondContact O-N 3.4Š| ||
| 56 | D | 36.1 | Very low | 41.2 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -73.2 | 118.9 | 171.5 | -161.1 | -37.6 | 0 | 0 | 0 | 109.2 | S58 | D56-S58 PolarHBondContact O-N 2.83Š| ||
| 57 | V | 47.7 | Very low | 41.3 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -90.9 | 92.1 | 175 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | W55 | W55-V57 PolarHBondContact O-N 3.4Š| ||
| 58 | S | 51.1 | Low | 41.3 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -162.8 | 100.3 | 163.9 | -81.2 | 0 | 0 | 0 | 0 | 108.7 | D56 | D56-S58 PolarHBondContact O-N 2.83Š| ||
| 59 | F | 42 | Very low | 41.7 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 173.5 | 90.8 | 134.5 | -108.6 | -92.5 | 0 | 0 | 0 | 109.8 | ||||
| 60 | L | 41.7 | Very low | 42.1 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 146.3 | 149.6 | -87.6 | 151.7 | 0 | 0 | 0 | 107.9 | ||||
| 61 | P | 48.5 | Very low | 41.7 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | -135.1 | 129.1 | 108.6 | 32.1 | -18.5 | 0 | 0 | 0 | 110.5 | |||||
| 62 | A | 43.4 | Very low | 41.5 | Very low | 77 Ų | 77 | 140.5 Ų | 140.5 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | 70.1 | 106.8 | 72 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 63 | L | 43.4 | Very low | 41.5 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 83.5 | 92.2 | 148.5 | -50.5 | 178.6 | 0 | 0 | 0 | 119.6 | ||||
| 64 | Y | 42.5 | Very low | 41.4 | Very low | 212 Ų | 212 | 140.7 Ų | 140.7 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -146.9 | 109.7 | 133.4 | -167.3 | -108.3 | 0 | 0 | 0 | 110.5 | P66 | Y64-P66 HydrophobicContact CD1-CG 4.13Å; Y64-P66 HydrophobicContact CE1-CG 3.91Å | ||
| 65 | V | 41.3 | Very low | 41.5 | Very low | 117 Ų | 117 | 140 Ų | 140 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -108.1 | 116.4 | 174.6 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 66 | P | 41.3 | Very low | 41.7 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82 | 118.5 | 165.6 | -9 | 25.8 | 0 | 0 | 0 | 110.1 | Y64 | Y64-P66 HydrophobicContact CD1-CG 4.13Å; Y64-P66 HydrophobicContact CE1-CG 3.91Å |
| 67 | T | 37.6 | Very low | 41.7 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67 | 128.4 | 172.6 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 68 | F | 38.4 | Very low | 42.2 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -84 | 137.3 | 166.9 | -70.5 | -89.7 | 0 | 0 | 0 | 110.3 | ||
| 69 | P | 48.1 | Very low | 41.5 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | trans | -85.3 | 115.6 | 162.1 | 8 | 7.7 | 0 | 0 | 0 | 110.6 | ||||
| 70 | T | 41.4 | Very low | 40.8 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -80.4 | 128.6 | 157.2 | 43.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 71 | D | 32.2 | Very low | 40.3 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | -172.9 | 157.6 | 126.1 | -127.8 | -41.2 | 0 | 0 | 0 | 114.3 | |||||
| 72 | A | 34.9 | Very low | 39.4 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 82.9 | 91.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 73 | S | 36.8 | Very low | 39.2 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -60.7 | 159.7 | 141.1 | -79.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 74 | P | 42.5 | Very low | 39.2 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -136.4 | 133.5 | 115.4 | 33.1 | -20 | 0 | 0 | 0 | 113.3 | |||||
| 75 | T | 42.8 | Very low | 38.6 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 152.5 | 157.5 | 46.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 76 | P | 41.3 | Very low | 38 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | -135.6 | 156.5 | 115.6 | 30.7 | -15.9 | 0 | 0 | 0 | 113.5 | |||||
| 77 | G | 37.5 | Very low | 37.5 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -80.4 | -154.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 78 | P | 56.9 | Low | 37.1 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -97.1 | 149.9 | -132.1 | 36.7 | -34.4 | 0 | 0 | 0 | 113.5 | ||||
| 79 | L | 36.5 | Very low | 36.8 | Very low | 173 Ų | 173 | 122.3 Ų | 122.3 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -135.8 | 108.3 | 163.3 | -70.8 | 177.1 | 0 | 0 | 0 | 110.7 | ||||
| 80 | D | 27.9 | Very low | 36 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 14.8 | 135.9 | 145.6 | -102.6 | -37 | 0 | 0 | 0 | 123.4 | ||||
| 81 | L | 31.3 | Very low | 35.5 | Very low | 144 Ų | 144 | 120.3 Ų | 120.3 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 28.7 | 117.7 | 132.9 | -69.9 | 165.2 | 0 | 0 | 0 | 118.1 | ||||
| 82 | S | 29.8 | Very low | 35.5 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 163.9 | 127.7 | 103.8 | -70.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 83 | S | 39.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -52.6 | 155 | 158.1 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 84 | P | 43 | Very low | 35.2 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -121.8 | 121.1 | 136.5 | 31.5 | -23.8 | 0 | 0 | 0 | 111.4 | ||||
| 85 | S | 29.1 | Very low | 34.7 | Very low | 102 Ų | 102 | 117.7 Ų | 117.7 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -66.5 | 142.1 | 155.1 | -51.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 86 | S | 29.2 | Very low | 34.4 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | 82.5 | 144.2 | 134.7 | 68.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 87 | L | 30.8 | Very low | 34.2 | Very low | 161 Ų | 161 | 124 Ų | 124 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 89.8 | 104 | 153.4 | -51.5 | 176.2 | 0 | 0 | 0 | 118.7 | ||||
| 88 | S | 30.1 | Very low | 33.9 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | -178.7 | 109.8 | 108.6 | 62.3 | 0 | 0 | 0 | 0 | 109 | |||||
| 89 | S | 31.4 | Very low | 32.8 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 88.1 | 101 | 94.4 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 90 | S | 31.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -2.9 | 137.8 | 140.8 | 47.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 91 | A | 30.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 130 Ų | 130 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | -157.9 | 105.9 | 128.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 92 | S | 31.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -77.5 | 140.1 | 154.3 | -54.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 93 | S | 34 | Very low | 32.9 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -143.2 | 107 | 151.3 | -160.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 94 | S | 31.3 | Very low | 32.6 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -54.8 | 146 | 145 | 37.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 95 | G | 33.2 | Very low | 32.7 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -150.9 | 101.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 96 | E | 36.3 | Very low | 33 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -86.8 | 129.2 | 171.6 | -62.4 | 165.8 | 116.9 | 0 | 0 | 107.4 | ||||
| 97 | E | 36.5 | Very low | 33.1 | Very low | 205 Ų | 205 | 132.7 Ų | 132.7 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -142.5 | 126.6 | 156.8 | -63.9 | -170.7 | 149.7 | 0 | 0 | 107.8 | ||||
| 98 | D | 30.9 | Very low | 33.8 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | trans | -117.3 | 151.6 | -167.4 | -161.7 | -136.3 | 0 | 0 | 0 | 109.7 | ||||
| 99 | E | 34.5 | Very low | 33.8 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | 71.8 | 130.1 | 162.5 | -55.4 | -65 | 84.8 | 0 | 0 | 122.2 | ||||
| 100 | G | 30.1 | Very low | 33.9 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 163.2 | 35.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 101 | R | 35.8 | Very low | 34.2 | Very low | 235 Ų | 235 | 135.5 Ų | 135.5 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | 22.9 | 132.9 | 156.1 | -106.2 | -175.6 | 170.5 | -176.8 | -3.3 | 124 | ||||
| 102 | T | 30.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 72% | 0.718 | 82% | 0.82 | S | S | * | * | trans | 76.4 | 105.9 | 136.6 | 51.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 103 | S | 31.3 | Very low | 34.9 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | -165.1 | 115.8 | 118.2 | -7.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 104 | D | 33 | Very low | 35.2 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -88.2 | 173.8 | 164.6 | -74.2 | -61.3 | 0 | 0 | 0 | 109.8 | ||||
| 105 | P | 43.9 | Very low | 35.8 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | -127.1 | -167.5 | -94.5 | 29.8 | -5 | 0 | 0 | 0 | 111.7 | |||||
| 106 | P | 35.2 | Very low | 36.3 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -122.3 | 135.1 | 141.1 | 34 | -25.6 | 0 | 0 | 0 | 112.9 | ||||
| 107 | S | 32.7 | Very low | 36.4 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -56.9 | 156.9 | 165.8 | -57 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 108 | P | 44.1 | Very low | 36.5 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | -139 | 156.7 | 103.1 | 32.3 | -17 | 0 | 0 | 0 | 115 | |||||
| 109 | E | 31.4 | Very low | 36.9 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -58.9 | 140.1 | -179.3 | -63.3 | 162.7 | 105.3 | 0 | 0 | 114.4 | ||||
| 110 | S | 33.2 | Very low | 37.2 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 177.2 | 99.1 | 132.6 | 41.4 | 0 | 0 | 0 | 0 | 108.8 | D112 | S110-D112 PolarHBondContact O-N 2.89Š| ||
| 111 | T | 38.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 146 Ų | 146 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 88.1 | -179.8 | 49.8 | 0 | 0 | 0 | 0 | 110.6 | T113 | T111-T113 PolarHBondContact O-N 3.15Š| ||
| 112 | D | 37 | Very low | 37.6 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -89.7 | 89.3 | 159.4 | -84.8 | -30.7 | 0 | 0 | 0 | 109.1 | S110 Y114 | S110-D112 PolarHBondContact O-N 2.89Å; D112-Y114 PolarHBondContact O-N 3.46Å; D112-Y114 VanDerWaalsContact O-N 3.12Å | ||
| 113 | T | 39.7 | Very low | 38 | Very low | 106 Ų | 106 | 148 Ų | 148 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -67.4 | 106.2 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 109.2 | T111 H115 | T111-T113 PolarHBondContact O-N 3.15Å; T113-H115 PolarHBondContact O-N 2.87Å | ||
| 114 | Y | 39.3 | Very low | 38.2 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -65.2 | 97.6 | 170.2 | -171.5 | -95.4 | 0 | 0 | 0 | 109.7 | D112 P116 | D112-Y114 PolarHBondContact O-N 3.46Å; D112-Y114 VanDerWaalsContact O-N 3.12Å; Y114-P116 WeakPolarHBondContact O-CD 3.38Å | ||
| 115 | H | 44.4 | Very low | 38.5 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 120.3 | 170.5 | -101.8 | -20.9 | 0 | 0 | 0 | 110 | T113 | T113-H115 PolarHBondContact O-N 2.87Š| ||
| 116 | P | 43.4 | Very low | 38.3 | Very low | 88 Ų | 88 | 148.5 Ų | 148.5 | 57% | 0.571 | 78% | 0.782 | S | S | * | * | trans | -63.8 | 141.4 | 171.3 | 25.8 | -31.7 | 0 | 0 | 0 | 109.7 | Y114 Q118 | Y114-P116 WeakPolarHBondContact O-CD 3.38Å; P116-Q118 PolarHBondContact O-N 3.31Å | ||
| 117 | P | 38.5 | Very low | 38.3 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -60.8 | 111.8 | -179.2 | 22.4 | -31.3 | 0 | 0 | 0 | 110.1 | R119 | P117-R119 PolarHBondContact O-N 3.36Å; P117-R119 VanDerWaalsContact O-N 3.13Å | ||
| 118 | Q | 39.6 | Very low | 38.7 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | -59.8 | 112.7 | 171.7 | -69.4 | -103.1 | -7.2 | 0 | 0 | 107.9 | P116 | P116-Q118 PolarHBondContact O-N 3.31Š| ||
| 119 | R | 38.6 | Very low | 38.2 | Very low | 225 Ų | 225 | 147.8 Ų | 147.8 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.9 | 169.2 | -169.4 | -176.9 | -160.4 | -138.9 | 3.6 | 107.5 | P117 K121 | P117-R119 PolarHBondContact O-N 3.36Å; P117-R119 VanDerWaalsContact O-N 3.13Å; R119-K121 PolarHBondContact O-N 3.03Å; R119-K121 VanDerWaalsContact O-N 3.11Å |
| 120 | P | 41.6 | Very low | 38.7 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57 | 123.9 | 177.9 | 18.3 | -28.2 | 0 | 0 | 0 | 109.5 | R122 | P120-R122 PolarHBondContact O-N 3.16Š|
| 121 | K | 38.4 | Very low | 39 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.3 | 171.4 | -70.5 | 177.7 | -179.1 | 174 | 0 | 106.9 | R119 I123 | R119-K121 PolarHBondContact O-N 3.03Å; R119-K121 VanDerWaalsContact O-N 3.11Å; K121-I123 PolarHBondContact O-N 3.18Å |
| 122 | R | 34.8 | Very low | 38.8 | Very low | 244 Ų | 244 | 145.4 Ų | 145.4 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -59.2 | 112.1 | 175.6 | -156.8 | 178.4 | -164.6 | -130.7 | 3 | 107.2 | P120 S124 | P120-R122 PolarHBondContact O-N 3.16Å; R122-S124 PolarHBondContact O-N 3.06Å | ||
| 123 | I | 38.7 | Very low | 39.4 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -62.6 | 109 | 172.1 | -63.7 | 167.1 | 0 | 0 | 0 | 105.9 | K121 T125 | K121-I123 PolarHBondContact O-N 3.18Å; I123-T125 HydrophobicContact CG2-CG2 4.47Å; I123-T125 PolarHBondContact O-N 3.31Å | ||
| 124 | S | 35.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -73.1 | 101.1 | 165.4 | -172.2 | 0 | 0 | 0 | 0 | 106 | R122 K126 | R122-S124 PolarHBondContact O-N 3.06Å; S124-K126 PolarHBondContact O-N 2.9Å | ||
| 125 | T | 39.2 | Very low | 39.8 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -62.3 | 108.2 | 172.7 | 46.7 | 0 | 0 | 0 | 0 | 108.4 | I123 S127 | I123-T125 HydrophobicContact CG2-CG2 4.47Å; I123-T125 PolarHBondContact O-N 3.31Å; T125-S127 PolarHBondContact O-N 2.97Å | ||
| 126 | K | 41.3 | Very low | 40.2 | Very low | 168 Ų | 168 | 152 Ų | 152 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -75.6 | 104.6 | 169.3 | -173.4 | 177.7 | -171.6 | -162.2 | 0 | 107.3 | S124 H128 | S124-K126 PolarHBondContact O-N 2.9Å; K126-H128 WeakPolarHBondContact CE-NE2 3.39Å; K126-H128 PolarHBondContact NZ-NE2 3.22Å | ||
| 127 | S | 34.3 | Very low | 40.7 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -91.1 | 110.5 | 166.1 | 51.4 | 0 | 0 | 0 | 0 | 108.7 | T125 | T125-S127 PolarHBondContact O-N 2.97Š| ||
| 128 | H | 41.3 | Very low | 41.1 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -81.9 | 135.5 | 158.1 | -80.4 | -74.6 | 0 | 0 | 0 | 108.6 | K126 | K126-H128 WeakPolarHBondContact CE-NE2 3.39Å; K126-H128 PolarHBondContact NZ-NE2 3.22Å | ||
| 129 | G | 33.4 | Very low | 41.5 | Very low | 70 Ų | 70 | 149.3 Ų | 149.3 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 161.1 | 88 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 130 | A | 41.1 | Very low | 42.1 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | -78.1 | 134.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 131 | P | 40.6 | Very low | 42.6 | Very low | 122 Ų | 122 | 146 Ų | 146 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -107.9 | 144.1 | 154.2 | 19.1 | -0.5 | 0 | 0 | 0 | 110.4 | ||||
| 132 | N | 34.7 | Very low | 43.4 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -48.9 | 147.4 | -175.1 | -67 | -39.7 | 0 | 0 | 0 | 114.9 | D134 | N132-D134 PolarHBondContact O-N 3.46Š| ||
| 133 | E | 49.5 | Very low | 44.8 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -51.5 | 111.8 | 157.6 | 30.9 | -104.8 | 101.9 | 0 | 0 | 112.8 | ||||
| 134 | D | 46.6 | Very low | 45.9 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -173.5 | 150.2 | 134 | -92.1 | -39.2 | 0 | 0 | 0 | 110.1 | N132 | N132-D134 PolarHBondContact O-N 3.46Š| ||
| 135 | E | 40.3 | Very low | 47.2 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 78.7 | 84.9 | -175.9 | -76.1 | -172.8 | 89.4 | 0 | 0 | 118.7 | V137 | E135-V137 PolarHBondContact O-N 2.77Š| ||
| 136 | R | 53.1 | Low | 49.1 | Very low | 254 Ų | 254 | 131.2 Ų | 131.2 | 96% | 0.958 | 76% | 0.759 | S | S | * | * | trans | -65.2 | 91.4 | 158.7 | -172.4 | -175 | -162.1 | 171.7 | 4.9 | 110.7 | ||||
| 137 | V | 53.1 | Low | 51.2 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | -118.6 | 115.3 | 154.7 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | E135 | E135-V137 PolarHBondContact O-N 2.77Š| ||
| 138 | A | 46.8 | Very low | 53.6 | Low | 80 Ų | 80 | 127.1 Ų | 127.1 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | trans | -56.8 | 139 | -174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V140 | A138-V140 PolarHBondContact O-N 3.16Š| ||
| 139 | P | 49.5 | Very low | 55.9 | Low | 116 Ų | 116 | 120 Ų | 120 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | trans | -70.8 | 117.6 | 171.4 | 27.9 | -29.9 | 0 | 0 | 0 | 108.5 | T141 | P139-T141 PolarHBondContact O-N 2.93Š| ||
| 140 | V | 50.4 | Low | 58.5 | Low | 138 Ų | 138 | 125 Ų | 125 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | trans | -49.8 | 110.4 | 170.9 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | A138 A142 | A138-V140 PolarHBondContact O-N 3.16Å; V140-A142 VanDerWaalsContact C-N 3.26Å; V140-A142 PolarHBondContact O-N 3.44Å | ||
| 141 | T | 50.8 | Low | 60.7 | Low | 135 Ų | 135 | 124.5 Ų | 124.5 | 83% | 0.828 | 68% | 0.676 | S | S | * | * | trans | -65.3 | 90.9 | 175.2 | 44.8 | 0 | 0 | 0 | 0 | 107.6 | P139 A143 | P139-T141 PolarHBondContact O-N 2.93Å; T141-A143 VanDerWaalsContact C-N 3.28Å; T141-A143 PolarHBondContact O-N 3.34Å | ||
| 142 | A | 56.6 | Low | 63.1 | Low | 88 Ų | 88 | 120 Ų | 120 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -63.2 | 95.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | V140 R144 | V140-A142 VanDerWaalsContact C-N 3.26Å; V140-A142 PolarHBondContact O-N 3.44Å; A142-R144 PolarHBondContact O-N 3.49Å | ||
| 143 | A | 62.8 | Low | 65.6 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | trans | -53.4 | 107.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | T141 | T141-A143 VanDerWaalsContact C-N 3.28Å; T141-A143 PolarHBondContact O-N 3.34Å | ||
| 144 | R | 61.9 | Low | 67.4 | Low | 183 Ų | 183 | 116.7 Ų | 116.7 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.5 | 174.4 | -75 | 175.8 | 69.7 | 154.5 | 2.2 | 107 | A142 A146 | A142-R144 PolarHBondContact O-N 3.49Å; R144-A146 PolarHBondContact O-N 2.72Å |
| 145 | P | 63.3 | Low | 69.4 | Low | 99 Ų | 99 | 115 Ų | 115 | 64% | 0.643 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 116.8 | 177.7 | 21.7 | -30.5 | 0 | 0 | 0 | 109.1 | ||
| 146 | A | 78.7 | Confident | 71.6 | Confident | 42 Ų | 42 | 108.7 Ų | 108.7 | 35% | 0.347 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -85.1 | 135.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | R144 F148 | R144-A146 PolarHBondContact O-N 2.72Å; A146-F148 HydrophobicContact CB-CE2 4.03Å; A146-F148 HydrophobicContact CB-CZ 3.85Å; A146-F148 VanDerWaalsContact O-CE2 3.29Å; A146-F148 WeakPolarHBondContact O-CE2 3.37Å |
| 147 | F | 85.9 | Confident | 73.3 | Confident | 66 Ų | 66 | 101.1 Ų | 101.1 | 29% | 0.289 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.3 | 175.5 | -63.5 | -85.1 | 0 | 0 | 0 | 108.9 | E155 Y156 L159 L162 | F147-E155 CarbonylContact O-C 3.55Å; F147-E155 WeakPolarHBondContact O-CA 3.08Å; F147-Y156 PolarHBondContact N-O 2.99Å; F147-Y156 PolarHBondContact O-N 2.06Å; F147-L159 HydrophobicContact CD1-CB 4.19Å; F147-L159 HydrophobicContact CD1-CD1 3.92Å; F147-L159 HydrophobicContact CE1-CB 3.83Å; F147-L159 HydrophobicContact CE1-CD1 4.02Å; F147-L159 HydrophobicContact CE1-CG 4.42Å; F147-L159 HydrophobicContact CE2-CB 4.27Å; F147-L159 VanDerWaalsContact CE2-N 3.32Å; F147-L159 HydrophobicContact CZ-CB 3.87Å; F147-L162 HydrophobicContact CB-CB 4.05Å; F147-L162 HydrophobicContact CB-CD2 3.73Å; F147-L162 HydrophobicContact CB-CG 4.45Å |
| 148 | F | 86.3 | Confident | 75 | Confident | 132 Ų | 132 | 97.8 Ų | 97.8 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 144.1 | -175.8 | -56.4 | -92.3 | 0 | 0 | 0 | 111.2 | A146 E155 L162 | A146-F148 HydrophobicContact CB-CE2 4.03Å; A146-F148 HydrophobicContact CB-CZ 3.85Å; A146-F148 VanDerWaalsContact O-CE2 3.29Å; A146-F148 WeakPolarHBondContact O-CE2 3.37Å; F148-E155 HydrophobicContact CD1-CG 3.64Å; F148-E155 VanDerWaalsContact CE1-CD 3.44Å; F148-E155 HydrophobicContact CE1-CG 3.61Å; F148-E155 WeakPolarHBondContact CE1-OE1 3.34Å; F148-L162 WeakPolarHBondContact O-CD2 3.26Å |
| 149 | C | 89 | Confident | 76.9 | Confident | 11 Ų | 11 | 97.1 Ų | 97.1 | 7% | 0.074 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -85 | 130.7 | 170.8 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | H151 C152 K154 L162 H165 | C149-H151 VanDerWaalsContact C-N 3.25Å; C149-H151 PolarHBondContact O-N 2.79Å; C149-H151 PolarHBondContact SG-N 3.04Å; C149-H151 VanDerWaalsContact SG-N 3.44Å; C149-C152 WeakPolarHBondContact CB-O 3.44Å; C149-C152 VanDerWaalsContact SG-SG 3.68Å; C149-K154 PolarHBondContact N-O 2.91Å; C149-K154 VanDerWaalsContact N-O 3.12Å; C149-L162 HydrophobicContact CB-CD1 3.82Å; C149-H165 PolarHBondContact SG-CD2 3.48Å; C149-H165 PolarHBondContact SG-NE2 2.8Å |
| 150 | K | 87.6 | Confident | 78.7 | Confident | 173 Ų | 173 | 94 Ų | 94 | 75% | 0.752 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -17.3 | 176.6 | 68.3 | -178.8 | -175.2 | 177.5 | 0 | 114.6 | ||
| 151 | H | 87.8 | Confident | 80.5 | Confident | 97 Ų | 97 | 89.1 Ų | 89.1 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -11.2 | -176.4 | -62 | -68.2 | 0 | 0 | 0 | 113.1 | C149 H169 | C149-H151 VanDerWaalsContact C-N 3.25Å; C149-H151 PolarHBondContact O-N 2.79Å; C149-H151 PolarHBondContact SG-N 3.04Å; C149-H151 VanDerWaalsContact SG-N 3.44Å; H151-H169 HydrophobicContact CB-CB 4.27Å |
| 152 | C | 91.3 | Very high | 82.3 | Confident | 27 Ų | 27 | 83.3 Ų | 83.3 | 18% | 0.182 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -161 | 159.1 | -179.6 | 71.7 | 0 | 0 | 0 | 0 | 111.1 | C149 K154 H165 | C149-C152 WeakPolarHBondContact CB-O 3.44Å; C149-C152 VanDerWaalsContact SG-SG 3.68Å; C152-K154 PolarHBondContact O-N 3.28Å; C152-H165 PolarHBondContact SG-NE2 3.37Å |
| 153 | P | 87.4 | Confident | 83.8 | Confident | 133 Ų | 133 | 83.5 Ų | 83.5 | 86% | 0.864 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -74.6 | 23.3 | -174.6 | 31.5 | -37.4 | 0 | 0 | 0 | 114.6 | ||
| 154 | K | 86.8 | Confident | 84.9 | Confident | 119 Ų | 119 | 83.8 Ų | 83.8 | 52% | 0.517 | 44% | 0.44 | S | S | . | . | trans | -86.6 | 138.2 | -177.9 | -67.5 | -178.4 | -177.3 | 177.3 | 0 | 111.7 | C149 C152 Y156 | C149-K154 PolarHBondContact N-O 2.91Å; C149-K154 VanDerWaalsContact N-O 3.12Å; C152-K154 PolarHBondContact O-N 3.28Å; K154-Y156 HydrophobicContact CB-CE2 3.77Å | ||
| 155 | E | 88.8 | Confident | 86.2 | Confident | 128 Ų | 128 | 76 Ų | 76 | 60% | 0.598 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.6 | 179.4 | -56.8 | -176.8 | -166.6 | 0 | 0 | 111.6 | F147 F148 | F147-E155 CarbonylContact O-C 3.55Å; F147-E155 WeakPolarHBondContact O-CA 3.08Å; F148-E155 HydrophobicContact CD1-CG 3.64Å; F148-E155 VanDerWaalsContact CE1-CD 3.44Å; F148-E155 HydrophobicContact CE1-CG 3.61Å; F148-E155 WeakPolarHBondContact CE1-OE1 3.34Å |
| 156 | Y | 86.6 | Confident | 87.3 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139 | -176.7 | -65 | -84.2 | 0 | 0 | 0 | 110.5 | F147 K154 S158 A161 L162 H165 | F147-Y156 PolarHBondContact N-O 2.99Å; F147-Y156 PolarHBondContact O-N 2.06Å; K154-Y156 HydrophobicContact CB-CE2 3.77Å; Y156-S158 VanDerWaalsContact C-N 3.25Å; Y156-S158 PolarHBondContact O-N 2.65Å; Y156-A161 HydrophobicContact CD1-CB 3.71Å; Y156-A161 HydrophobicContact CG-CB 4.35Å; Y156-L162 HydrophobicContact CD2-CB 4.06Å; Y156-L162 HydrophobicContact CD2-CD1 3.75Å; Y156-L162 HydrophobicContact CE2-CD1 4.13Å; Y156-L162 HydrophobicContact CG-CB 4.15Å; Y156-H165 HydrophobicContact CE1-CB 3.9Å; Y156-H165 HydrophobicContact CE2-CB 3.83Å; Y156-H165 AromaticContact CE2-CD2 3.42Å; Y156-H165 VanDerWaalsContact CE2-CD2 3.42Å; Y156-H165 WeakPolarHBondContact CE2-CD2 3.49Å; Y156-H165 AromaticContact CE2-CG 3.6Å; Y156-H165 VanDerWaalsContact CZ-CB 3.42Å; Y156-H165 AromaticContact CZ-CD2 3.66Å; Y156-H165 AromaticContact CZ-CG 3.33Å; Y156-H165 AromaticContact CZ-ND1 3.92Å; Y156-H165 WeakPolarHBondContact OH-CB 3.45Å; Y156-H165 PolarHBondContact OH-CD2 2.97Å; Y156-H165 PolarHBondContact OH-ND1 3.11Å |
| 157 | T | 87.9 | Confident | 87.7 | Confident | 95 Ų | 95 | 72.8 Ų | 72.8 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -82.8 | -2.4 | 177.1 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 158 | S | 88.2 | Confident | 87.8 | Confident | 52 Ų | 52 | 72.4 Ų | 72.4 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -146.8 | 143.2 | 178.2 | 67.8 | 0 | 0 | 0 | 0 | 111.9 | Y156 G160 A161 L162 | Y156-S158 VanDerWaalsContact C-N 3.25Å; Y156-S158 PolarHBondContact O-N 2.65Å; S158-G160 VanDerWaalsContact C-N 3.26Å; S158-G160 PolarHBondContact O-N 2.78Å; S158-A161 PolarHBondContact O-N 2.85Å; S158-A161 VanDerWaalsContact OG-CB 3.26Å; S158-A161 WeakPolarHBondContact OG-CB 3.28Å; S158-A161 PolarHBondContact OG-N 3.41Å; S158-L162 PolarHBondContact O-N 3.32Å; S158-L162 VanDerWaalsContact O-N 3.12Å |
| 159 | L | 87.1 | Confident | 87.8 | Confident | 65 Ų | 65 | 69.7 Ų | 69.7 | 34% | 0.34 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -36.6 | 176.1 | -175.9 | 63.7 | 0 | 0 | 0 | 111.8 | L29 F147 A161 L162 K163 | L29-L159 HydrophobicContact CD1-CD1 4Å; L29-L159 HydrophobicContact CD1-CG 4.49Å; F147-L159 HydrophobicContact CD1-CB 4.19Å; F147-L159 HydrophobicContact CD1-CD1 3.92Å; F147-L159 HydrophobicContact CE1-CB 3.83Å; F147-L159 HydrophobicContact CE1-CD1 4.02Å; F147-L159 HydrophobicContact CE1-CG 4.42Å; F147-L159 HydrophobicContact CE2-CB 4.27Å; F147-L159 VanDerWaalsContact CE2-N 3.32Å; F147-L159 HydrophobicContact CZ-CB 3.87Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 3.38Å; L159-L162 HydrophobicContact CD1-CD2 4.49Å; L159-L162 PolarHBondContact O-N 3.17Å; L159-K163 HydrophobicContact CG-CG 4.39Å; L159-K163 WeakPolarHBondContact O-CB 3.4Å; L159-K163 WeakPolarHBondContact O-CG 3.42Å; L159-K163 PolarHBondContact O-N 3.18Å |
| 160 | G | 88.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S158 M164 | S158-G160 VanDerWaalsContact C-N 3.26Å; S158-G160 PolarHBondContact O-N 2.78Å; G160-M164 WeakPolarHBondContact O-CB 3.32Å; G160-M164 PolarHBondContact O-N 3.47Å |
| 161 | A | 87.5 | Confident | 87.6 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y156 S158 L159 M164 H165 | Y156-A161 HydrophobicContact CD1-CB 3.71Å; Y156-A161 HydrophobicContact CG-CB 4.35Å; S158-A161 PolarHBondContact O-N 2.85Å; S158-A161 VanDerWaalsContact OG-CB 3.26Å; S158-A161 WeakPolarHBondContact OG-CB 3.28Å; S158-A161 PolarHBondContact OG-N 3.41Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 3.38Å; A161-M164 PolarHBondContact O-N 2.87Å; A161-H165 WeakPolarHBondContact O-CB 3.17Å; A161-H165 PolarHBondContact O-N 3.15Å |
| 162 | L | 89.1 | Confident | 87.4 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 173.4 | 174.9 | 62.4 | 0 | 0 | 0 | 111.5 | F147 F148 C149 Y156 S158 L159 M164 H165 I166 | F147-L162 HydrophobicContact CB-CB 4.05Å; F147-L162 HydrophobicContact CB-CD2 3.73Å; F147-L162 HydrophobicContact CB-CG 4.45Å; F148-L162 WeakPolarHBondContact O-CD2 3.26Å; C149-L162 HydrophobicContact CB-CD1 3.82Å; Y156-L162 HydrophobicContact CD2-CB 4.06Å; Y156-L162 HydrophobicContact CD2-CD1 3.75Å; Y156-L162 HydrophobicContact CE2-CD1 4.13Å; Y156-L162 HydrophobicContact CG-CB 4.15Å; S158-L162 PolarHBondContact O-N 3.32Å; S158-L162 VanDerWaalsContact O-N 3.12Å; L159-L162 HydrophobicContact CD1-CD2 4.49Å; L159-L162 PolarHBondContact O-N 3.17Å; L162-M164 VanDerWaalsContact C-N 3.31Å; L162-M164 PolarHBondContact O-N 3.32Å; L162-H165 CarbonylContact O-C 3.57Å; L162-H165 WeakPolarHBondContact O-CA 3.37Å; L162-H165 WeakPolarHBondContact O-CB 3.38Å; L162-H165 PolarHBondContact O-N 2.97Å; L162-I166 HydrophobicContact CD1-CD1 3.99Å; L162-I166 HydrophobicContact CD1-CG1 4.03Å; L162-I166 HydrophobicContact CD2-CD1 4.41Å; L162-I166 HydrophobicContact CG-CD1 3.85Å; L162-I166 HydrophobicContact CG-CG1 4.36Å; L162-I166 WeakPolarHBondContact O-CG1 3.33Å; L162-I166 PolarHBondContact O-N 3.2Å |
| 163 | K | 87 | Confident | 87.2 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.1 | -44.9 | 177.2 | -73.4 | -171.1 | -153.6 | -152.2 | 0 | 111.5 | L29 L159 H165 I166 R167 | L29-K163 HydrophobicContact CD1-CD 3.72Å; L29-K163 HydrophobicContact CD1-CG 3.63Å; L159-K163 HydrophobicContact CG-CG 4.39Å; L159-K163 WeakPolarHBondContact O-CB 3.4Å; L159-K163 WeakPolarHBondContact O-CG 3.42Å; L159-K163 PolarHBondContact O-N 3.18Å; K163-H165 VanDerWaalsContact C-N 3.3Å; K163-H165 PolarHBondContact O-N 2.75Å; K163-I166 PolarHBondContact O-N 3.23Å; K163-R167 WeakPolarHBondContact O-CG 3.33Å |
| 164 | M | 86.4 | Confident | 87.1 | Confident | 99 Ų | 99 | 59.5 Ų | 59.5 | 49% | 0.488 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 176.5 | -172.7 | 65.5 | 62 | 0 | 0 | 111.6 | G160 A161 L162 R167 R184 | G160-M164 WeakPolarHBondContact O-CB 3.32Å; G160-M164 PolarHBondContact O-N 3.47Å; A161-M164 PolarHBondContact O-N 2.87Å; L162-M164 VanDerWaalsContact C-N 3.31Å; L162-M164 PolarHBondContact O-N 3.32Å; M164-R167 WeakPolarHBondContact O-CB 3.29Å; M164-R167 PolarHBondContact O-N 3.32Å; M164-R184 HydrophobicContact SD-CG 4.46Å |
| 165 | H | 88.4 | Confident | 87.1 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 177.8 | 168.3 | 62.5 | 0 | 0 | 0 | 112.6 | C149 C152 Y156 A161 L162 K163 R167 S168 H169 | C149-H165 PolarHBondContact SG-CD2 3.48Å; C149-H165 PolarHBondContact SG-NE2 2.8Å; C152-H165 PolarHBondContact SG-NE2 3.37Å; Y156-H165 HydrophobicContact CE1-CB 3.9Å; Y156-H165 HydrophobicContact CE2-CB 3.83Å; Y156-H165 AromaticContact CE2-CD2 3.42Å; Y156-H165 VanDerWaalsContact CE2-CD2 3.42Å; Y156-H165 WeakPolarHBondContact CE2-CD2 3.49Å; Y156-H165 AromaticContact CE2-CG 3.6Å; Y156-H165 VanDerWaalsContact CZ-CB 3.42Å; Y156-H165 AromaticContact CZ-CD2 3.66Å; Y156-H165 AromaticContact CZ-CG 3.33Å; Y156-H165 AromaticContact CZ-ND1 3.92Å; Y156-H165 WeakPolarHBondContact OH-CB 3.45Å; Y156-H165 PolarHBondContact OH-CD2 2.97Å; Y156-H165 PolarHBondContact OH-ND1 3.11Å; A161-H165 WeakPolarHBondContact O-CB 3.17Å; A161-H165 PolarHBondContact O-N 3.15Å; L162-H165 CarbonylContact O-C 3.57Å; L162-H165 WeakPolarHBondContact O-CA 3.37Å; L162-H165 WeakPolarHBondContact O-CB 3.38Å; L162-H165 PolarHBondContact O-N 2.97Å; K163-H165 VanDerWaalsContact C-N 3.3Å; K163-H165 PolarHBondContact O-N 2.75Å; H165-R167 PolarHBondContact O-N 3.46Å; H165-R167 VanDerWaalsContact O-N 3.1Å; H165-S168 PolarHBondContact ND1-OG 3.14Å; H165-S168 VanDerWaalsContact O-CB 3.31Å; H165-S168 WeakPolarHBondContact O-CB 3.42Å; H165-S168 PolarHBondContact O-N 2.96Å; H165-S168 PolarHBondContact O-OG 3.45Å; H165-H169 AromaticContact CE1-NE2 3.32Å; H165-H169 PolarHBondContact CE1-NE2 2.9Å; H165-H169 VanDerWaalsContact CE1-NE2 3.32Å; H165-H169 AromaticContact NE2-CD2 3.67Å; H165-H169 AromaticContact NE2-NE2 3.03Å; H165-H169 PolarHBondContact NE2-NE2 3.44Å |
| 166 | I | 87.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.4 | -32.2 | 179.3 | -69.5 | 165.1 | 0 | 0 | 0 | 111.4 | L162 K163 S168 H169 T170 | L162-I166 HydrophobicContact CD1-CD1 3.99Å; L162-I166 HydrophobicContact CD1-CG1 4.03Å; L162-I166 HydrophobicContact CD2-CD1 4.41Å; L162-I166 HydrophobicContact CG-CD1 3.85Å; L162-I166 HydrophobicContact CG-CG1 4.36Å; L162-I166 WeakPolarHBondContact O-CG1 3.33Å; L162-I166 PolarHBondContact O-N 3.2Å; K163-I166 PolarHBondContact O-N 3.23Å; I166-S168 PolarHBondContact O-N 3.43Å; I166-S168 VanDerWaalsContact O-N 3.12Å; I166-H169 WeakPolarHBondContact O-CB 3.45Å; I166-H169 PolarHBondContact O-N 3.15Å; I166-T170 HydrophobicContact CG2-CG2 4.31Å; I166-T170 PolarHBondContact O-N 3.39Å; I166-T170 VanDerWaalsContact O-N 3.16Å; I166-T170 PolarHBondContact O-OG1 3.39Å |
| 167 | R | 87.1 | Confident | 86.6 | Confident | 43 Ų | 43 | 55 Ų | 55 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.4 | -17.9 | 175.2 | -58.2 | 174.7 | 69.9 | 101.1 | 4.1 | 114.1 | K163 M164 H165 H169 L171 P172 C173 S183 | K163-R167 WeakPolarHBondContact O-CG 3.33Å; M164-R167 WeakPolarHBondContact O-CB 3.29Å; M164-R167 PolarHBondContact O-N 3.32Å; H165-R167 PolarHBondContact O-N 3.46Å; H165-R167 VanDerWaalsContact O-N 3.1Å; R167-H169 VanDerWaalsContact C-N 3.31Å; R167-L171 WeakPolarHBondContact O-CA 3.41Å; R167-L171 PolarHBondContact O-N 3.29Å; R167-P172 HydrophobicContact CB-CG 4.35Å; R167-P172 HydrophobicContact CG-CG 4.29Å; R167-C173 PolarHBondContact NH2-SG 2.85Å; R167-C173 VanDerWaalsContact NH2-SG 3.37Å; R167-S183 PolarHBondContact NE-O 3.39Å; R167-S183 PolarHBondContact NH2-O 3.47Å; R167-S183 WeakPolarHBondContact O-CA 3.45Å; R167-S183 VanDerWaalsContact O-CB 3.29Å; R167-S183 WeakPolarHBondContact O-CB 3.29Å |
| 168 | S | 86.8 | Confident | 86.5 | Confident | 58 Ų | 58 | 53 Ų | 53 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -74.6 | -23 | 172.1 | 68.3 | 0 | 0 | 0 | 0 | 113 | H165 I166 | H165-S168 PolarHBondContact ND1-OG 3.14Å; H165-S168 VanDerWaalsContact O-CB 3.31Å; H165-S168 WeakPolarHBondContact O-CB 3.42Å; H165-S168 PolarHBondContact O-N 2.96Å; H165-S168 PolarHBondContact O-OG 3.45Å; I166-S168 PolarHBondContact O-N 3.43Å; I166-S168 VanDerWaalsContact O-N 3.12Å |
| 169 | H | 86.2 | Confident | 86.3 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -88 | -39.9 | 174.3 | -61.2 | -65.2 | 0 | 0 | 0 | 111.8 | H151 H165 I166 R167 | H151-H169 HydrophobicContact CB-CB 4.27Å; H165-H169 AromaticContact CE1-NE2 3.32Å; H165-H169 PolarHBondContact CE1-NE2 2.9Å; H165-H169 VanDerWaalsContact CE1-NE2 3.32Å; H165-H169 AromaticContact NE2-CD2 3.67Å; H165-H169 AromaticContact NE2-NE2 3.03Å; H165-H169 PolarHBondContact NE2-NE2 3.44Å; I166-H169 WeakPolarHBondContact O-CB 3.45Å; I166-H169 PolarHBondContact O-N 3.15Å; R167-H169 VanDerWaalsContact C-N 3.31Å |
| 170 | T | 84.7 | Confident | 86.3 | Confident | 72 Ų | 72 | 56 Ų | 56 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -92.4 | -19 | -174.6 | 59 | 0 | 0 | 0 | 0 | 114.8 | I166 | I166-T170 HydrophobicContact CG2-CG2 4.31Å; I166-T170 PolarHBondContact O-N 3.39Å; I166-T170 VanDerWaalsContact O-N 3.16Å; I166-T170 PolarHBondContact O-OG1 3.39Å |
| 171 | L | 88 | Confident | 86.3 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | trans | 41.7 | 59.7 | 179.9 | -57.7 | 177.6 | 0 | 0 | 0 | 113.8 | R167 C173 A181 F182 | R167-L171 WeakPolarHBondContact O-CA 3.41Å; R167-L171 PolarHBondContact O-N 3.29Å; L171-C173 PolarHBondContact O-N 3.5Å; L171-A181 HydrophobicContact CB-CB 3.7Å; L171-A181 HydrophobicContact CD1-CB 4.14Å; L171-F182 CarbonylContact C-O 3.6Å; L171-F182 WeakPolarHBondContact CA-O 3.44Å | ||
| 172 | P | 83.9 | Confident | 86.3 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | trans | -69.9 | -3 | -164.7 | 29.6 | -38.4 | 0 | 0 | 0 | 115.5 | Q24 R167 | Q24-P172 HydrophobicContact CB-CB 4.49Å; Q24-P172 PolarHBondContact N-O 2.83Å; Q24-P172 WeakPolarHBondContact O-CB 3.46Å; R167-P172 HydrophobicContact CB-CG 4.35Å; R167-P172 HydrophobicContact CG-CG 4.29Å | ||
| 173 | C | 87.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 100.2 | -176.5 | -45.6 | 0 | 0 | 0 | 0 | 109.2 | C23 R167 L171 A181 F182 R184 L188 | C23-C173 HydrophobicContact CB-CB 4.12Å; C23-C173 WeakPolarHBondContact CB-SG 3.49Å; C23-C173 WeakPolarHBondContact SG-CB 3.24Å; C23-C173 CovalentContact SG-SG 2.04Å; C23-C173 PolarHBondContact SG-SG 3Å; R167-C173 PolarHBondContact NH2-SG 2.85Å; R167-C173 VanDerWaalsContact NH2-SG 3.37Å; L171-C173 PolarHBondContact O-N 3.5Å; C173-A181 CarbonylContact O-C 3.44Å; C173-F182 HydrophobicContact CB-CB 4.28Å; C173-F182 VanDerWaalsContact CB-O 3.31Å; C173-F182 WeakPolarHBondContact CB-O 3.45Å; C173-F182 PolarHBondContact N-O 3.29Å; C173-F182 PolarHBondContact O-N 3.22Å; C173-R184 VanDerWaalsContact SG-C 3.56Å; C173-L188 HydrophobicContact CB-CB 4.13Å; C173-L188 HydrophobicContact CB-CD2 3.76Å |
| 174 | V | 85.8 | Confident | 86.1 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 139 | -176.8 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | A181 | V174-A181 HydrophobicContact CG2-CB 4.13Å |
| 175 | C | 86.6 | Confident | 86 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | trans | -74.8 | 123.1 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | T177 C178 G179 K180 F182 L188 | C175-T177 PolarHBondContact O-N 2.75Å; C175-C178 VanDerWaalsContact SG-SG 3.7Å; C175-G179 VanDerWaalsContact O-CA 3.24Å; C175-G179 WeakPolarHBondContact O-CA 3.41Å; C175-G179 PolarHBondContact O-N 3.48Å; C175-K180 HydrophobicContact CB-CB 4.39Å; C175-K180 WeakPolarHBondContact CB-O 3.33Å; C175-K180 PolarHBondContact N-O 3.11Å; C175-F182 HydrophobicContact CB-CE2 4.36Å; C175-L188 HydrophobicContact CB-CD1 3.74Å | ||
| 176 | P | 81.7 | Confident | 85.8 | Confident | 103 Ų | 103 | 59.1 Ų | 59.1 | 67% | 0.669 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -24.4 | 179.4 | 28.1 | -35 | 0 | 0 | 0 | 112.7 | ||
| 177 | T | 82.6 | Confident | 85.7 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -35.4 | -175.5 | -48.2 | 0 | 0 | 0 | 0 | 113 | C175 H195 | C175-T177 PolarHBondContact O-N 2.75Å; T177-H195 HydrophobicContact CG2-CB 4.4Å |
| 178 | C | 86.9 | Confident | 85.7 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 37% | 0.372 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | 11.3 | -173.2 | 73.7 | 0 | 0 | 0 | 0 | 114.2 | C175 K180 H191 H195 | C175-C178 VanDerWaalsContact SG-SG 3.7Å; C178-K180 PolarHBondContact O-N 3.18Å; C178-K180 VanDerWaalsContact SG-CG 3.59Å; C178-H191 PolarHBondContact SG-NE2 3.28Å; C178-H195 PolarHBondContact SG-NE2 3.27Å; C178-H195 VanDerWaalsContact SG-NE2 3.41Å |
| 179 | G | 84.1 | Confident | 85.6 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 55% | 0.546 | 33% | 0.332 | S | S | . | . | trans | 67.1 | 2.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | C175 A181 | C175-G179 VanDerWaalsContact O-CA 3.24Å; C175-G179 WeakPolarHBondContact O-CA 3.41Å; C175-G179 PolarHBondContact O-N 3.48Å; G179-A181 PolarHBondContact O-N 2.86Å | ||
| 180 | K | 87.3 | Confident | 85.5 | Confident | 127 Ų | 127 | 57.2 Ų | 57.2 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | trans | -68.9 | 129.2 | -178.6 | -73.2 | -175.9 | -178.6 | -167.1 | 0 | 111.1 | C175 C178 F182 | C175-K180 HydrophobicContact CB-CB 4.39Å; C175-K180 WeakPolarHBondContact CB-O 3.33Å; C175-K180 PolarHBondContact N-O 3.11Å; C178-K180 PolarHBondContact O-N 3.18Å; C178-K180 VanDerWaalsContact SG-CG 3.59Å; K180-F182 HydrophobicContact CB-CE2 3.85Å; K180-F182 HydrophobicContact CB-CZ 4.1Å; K180-F182 WeakPolarHBondContact O-CD2 3.37Å; K180-F182 VanDerWaalsContact O-CE2 3.29Å; K180-F182 WeakPolarHBondContact O-CE2 3.34Å | ||
| 181 | A | 88.5 | Confident | 85.5 | Confident | 44 Ų | 44 | 55 Ų | 55 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 144.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L171 C173 V174 G179 | L171-A181 HydrophobicContact CB-CB 3.7Å; L171-A181 HydrophobicContact CD1-CB 4.14Å; C173-A181 CarbonylContact O-C 3.44Å; V174-A181 HydrophobicContact CG2-CB 4.13Å; G179-A181 PolarHBondContact O-N 2.86Å |
| 182 | F | 87.1 | Confident | 85.4 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 18% | 0.175 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.4 | -176.9 | -60.9 | -88.5 | 0 | 0 | 0 | 111.1 | L171 C173 C175 K180 L187 L188 H191 | L171-F182 CarbonylContact C-O 3.6Å; L171-F182 WeakPolarHBondContact CA-O 3.44Å; C173-F182 HydrophobicContact CB-CB 4.28Å; C173-F182 VanDerWaalsContact CB-O 3.31Å; C173-F182 WeakPolarHBondContact CB-O 3.45Å; C173-F182 PolarHBondContact N-O 3.29Å; C173-F182 PolarHBondContact O-N 3.22Å; C175-F182 HydrophobicContact CB-CE2 4.36Å; K180-F182 HydrophobicContact CB-CE2 3.85Å; K180-F182 HydrophobicContact CB-CZ 4.1Å; K180-F182 WeakPolarHBondContact O-CD2 3.37Å; K180-F182 VanDerWaalsContact O-CE2 3.29Å; K180-F182 WeakPolarHBondContact O-CE2 3.34Å; F182-L187 HydrophobicContact CB-CB 4.19Å; F182-L187 HydrophobicContact CD1-CB 3.9Å; F182-L187 HydrophobicContact CG-CB 4.31Å; F182-L188 HydrophobicContact CB-CB 4.29Å; F182-L188 HydrophobicContact CD2-CB 3.99Å; F182-L188 HydrophobicContact CD2-CD1 3.78Å; F182-L188 HydrophobicContact CD2-CG 4.46Å; F182-L188 HydrophobicContact CE2-CD1 3.98Å; F182-L188 HydrophobicContact CG-CB 4.28Å; F182-H191 HydrophobicContact CE1-CB 3.97Å; F182-H191 HydrophobicContact CE2-CB 3.88Å; F182-H191 AromaticContact CE2-CD2 3.38Å; F182-H191 WeakPolarHBondContact CE2-CD2 3.41Å; F182-H191 AromaticContact CE2-CG 3.66Å; F182-H191 HydrophobicContact CZ-CB 3.42Å; F182-H191 VanDerWaalsContact CZ-CB 3.42Å; F182-H191 AromaticContact CZ-CD2 3.45Å; F182-H191 VanDerWaalsContact CZ-CD2 3.45Å; F182-H191 WeakPolarHBondContact CZ-CD2 3.27Å; F182-H191 AromaticContact CZ-CG 3.24Å; F182-H191 AromaticContact CZ-ND1 3.85Å |
| 183 | S | 87.9 | Confident | 85.4 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -74 | -26.4 | 178.3 | 57 | 0 | 0 | 0 | 0 | 113.3 | R167 | R167-S183 PolarHBondContact NE-O 3.39Å; R167-S183 PolarHBondContact NH2-O 3.47Å; R167-S183 WeakPolarHBondContact O-CA 3.45Å; R167-S183 VanDerWaalsContact O-CB 3.29Å; R167-S183 WeakPolarHBondContact O-CB 3.29Å |
| 184 | R | 84.4 | Confident | 85.3 | Confident | 105 Ų | 105 | 58.5 Ų | 58.5 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -133.2 | 144.1 | -170.9 | -59 | 175.6 | 75 | -174 | -0.5 | 111.8 | M164 C173 W186 L187 L188 | M164-R184 HydrophobicContact SD-CG 4.46Å; C173-R184 VanDerWaalsContact SG-C 3.56Å; R184-W186 VanDerWaalsContact C-N 3.33Å; R184-W186 PolarHBondContact O-N 3.28Å; R184-L187 HydrophobicContact CB-CD1 4.02Å; R184-L187 HydrophobicContact CB-CG 4.25Å; R184-L187 HydrophobicContact CG-CD1 4.38Å; R184-L187 WeakPolarHBondContact O-CB 3.38Å; R184-L187 PolarHBondContact O-N 2.86Å; R184-L187 VanDerWaalsContact O-N 3.16Å; R184-L188 PolarHBondContact O-N 3.27Å |
| 185 | P | 84.6 | Confident | 85.1 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | -178.4 | 20.8 | -31.5 | 0 | 0 | 0 | 113.3 | C23 L187 L188 R189 | C23-P185 VanDerWaalsContact SG-CB 3.58Å; P185-L187 VanDerWaalsContact C-N 3.3Å; P185-L187 PolarHBondContact O-N 3.17Å; P185-L188 PolarHBondContact O-N 3.05Å; P185-R189 WeakPolarHBondContact O-CG 3.39Å; P185-R189 PolarHBondContact O-N 2.98Å |
| 186 | W | 82.8 | Confident | 84.9 | Confident | 106 Ų | 106 | 61.5 Ų | 61.5 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.7 | -29.3 | 178.8 | 72.2 | -89.7 | 0 | 0 | 0 | 112.8 | R184 G190 | R184-W186 VanDerWaalsContact C-N 3.33Å; R184-W186 PolarHBondContact O-N 3.28Å; W186-G190 PolarHBondContact O-N 2.96Å |
| 187 | L | 86.1 | Confident | 85 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 173.4 | -71.2 | 169.9 | 0 | 0 | 0 | 110.2 | F182 R184 P185 R189 G190 H191 | F182-L187 HydrophobicContact CB-CB 4.19Å; F182-L187 HydrophobicContact CD1-CB 3.9Å; F182-L187 HydrophobicContact CG-CB 4.31Å; R184-L187 HydrophobicContact CB-CD1 4.02Å; R184-L187 HydrophobicContact CB-CG 4.25Å; R184-L187 HydrophobicContact CG-CD1 4.38Å; R184-L187 WeakPolarHBondContact O-CB 3.38Å; R184-L187 PolarHBondContact O-N 2.86Å; R184-L187 VanDerWaalsContact O-N 3.16Å; P185-L187 VanDerWaalsContact C-N 3.3Å; P185-L187 PolarHBondContact O-N 3.17Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 2.8Å; L187-G190 PolarHBondContact O-N 2.99Å; L187-H191 WeakPolarHBondContact O-CB 3.45Å; L187-H191 PolarHBondContact O-N 3.26Å |
| 188 | L | 86.3 | Confident | 84.9 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.7 | 174.6 | 57.4 | 0 | 0 | 0 | 111.6 | L21 C173 C175 F182 R184 P185 H191 I192 | L21-L188 HydrophobicContact CD2-CD2 3.66Å; L21-L188 HydrophobicContact CD2-CG 4.16Å; C173-L188 HydrophobicContact CB-CB 4.13Å; C173-L188 HydrophobicContact CB-CD2 3.76Å; C175-L188 HydrophobicContact CB-CD1 3.74Å; F182-L188 HydrophobicContact CB-CB 4.29Å; F182-L188 HydrophobicContact CD2-CB 3.99Å; F182-L188 HydrophobicContact CD2-CD1 3.78Å; F182-L188 HydrophobicContact CD2-CG 4.46Å; F182-L188 HydrophobicContact CE2-CD1 3.98Å; F182-L188 HydrophobicContact CG-CB 4.28Å; R184-L188 PolarHBondContact O-N 3.27Å; P185-L188 PolarHBondContact O-N 3.05Å; L188-H191 WeakPolarHBondContact O-CB 3.38Å; L188-H191 PolarHBondContact O-N 2.81Å; L188-I192 HydrophobicContact CD1-CD1 3.95Å; L188-I192 HydrophobicContact CD1-CG1 4.09Å; L188-I192 HydrophobicContact CG-CD1 4Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 2.95Å |
| 189 | R | 84.1 | Confident | 84.7 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.9 | -74.9 | -173.5 | -68.7 | -152.2 | 1.1 | 112.8 | P185 L187 H191 I192 R193 | P185-R189 WeakPolarHBondContact O-CG 3.39Å; P185-R189 PolarHBondContact O-N 2.98Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-R189 PolarHBondContact O-N 2.8Å; R189-H191 VanDerWaalsContact C-N 3.31Å; R189-I192 PolarHBondContact O-N 3.05Å; R189-R193 PolarHBondContact O-N 3.34Å |
| 190 | G | 84.1 | Confident | 84.7 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W186 L187 R193 | W186-G190 PolarHBondContact O-N 2.96Å; L187-G190 PolarHBondContact O-N 2.99Å; G190-R193 WeakPolarHBondContact O-CB 3.49Å; G190-R193 PolarHBondContact O-N 3.27Å |
| 191 | H | 86.4 | Confident | 84.6 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 13% | 0.125 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 175.1 | 173.4 | 60.1 | 0 | 0 | 0 | 112.8 | C178 F182 L187 L188 R189 R193 T194 H195 | C178-H191 PolarHBondContact SG-NE2 3.28Å; F182-H191 HydrophobicContact CE1-CB 3.97Å; F182-H191 HydrophobicContact CE2-CB 3.88Å; F182-H191 AromaticContact CE2-CD2 3.38Å; F182-H191 WeakPolarHBondContact CE2-CD2 3.41Å; F182-H191 AromaticContact CE2-CG 3.66Å; F182-H191 HydrophobicContact CZ-CB 3.42Å; F182-H191 VanDerWaalsContact CZ-CB 3.42Å; F182-H191 AromaticContact CZ-CD2 3.45Å; F182-H191 VanDerWaalsContact CZ-CD2 3.45Å; F182-H191 WeakPolarHBondContact CZ-CD2 3.27Å; F182-H191 AromaticContact CZ-CG 3.24Å; F182-H191 AromaticContact CZ-ND1 3.85Å; L187-H191 WeakPolarHBondContact O-CB 3.45Å; L187-H191 PolarHBondContact O-N 3.26Å; L188-H191 WeakPolarHBondContact O-CB 3.38Å; L188-H191 PolarHBondContact O-N 2.81Å; R189-H191 VanDerWaalsContact C-N 3.31Å; H191-R193 PolarHBondContact O-N 3.43Å; H191-R193 VanDerWaalsContact O-N 3.17Å; H191-T194 WeakPolarHBondContact O-CB 3.45Å; H191-T194 PolarHBondContact O-N 2.8Å; H191-T194 PolarHBondContact O-OG1 3.24Å; H191-H195 AromaticContact CE1-NE2 3.56Å; H191-H195 AromaticContact NE2-CD2 3.94Å; H191-H195 AromaticContact NE2-NE2 3.17Å; H191-H195 PolarHBondContact NE2-NE2 3Å; H191-H195 VanDerWaalsContact NE2-NE2 3.17Å |
| 192 | I | 84.2 | Confident | 84.5 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -31.5 | 178.8 | -71.8 | 165.9 | 0 | 0 | 0 | 111.7 | P16 Y18 L21 L188 R189 T194 H195 T196 | P16-I192 HydrophobicContact CG-CG2 4.33Å; Y18-I192 HydrophobicContact CE1-CG2 4.05Å; L21-I192 HydrophobicContact CD1-CD1 3.42Å; L21-I192 VanDerWaalsContact CD1-CD1 3.42Å; L21-I192 HydrophobicContact CD2-CD1 3.56Å; L21-I192 HydrophobicContact CG-CD1 4.15Å; L188-I192 HydrophobicContact CD1-CD1 3.95Å; L188-I192 HydrophobicContact CD1-CG1 4.09Å; L188-I192 HydrophobicContact CG-CD1 4Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 2.95Å; R189-I192 PolarHBondContact O-N 3.05Å; I192-T194 PolarHBondContact O-N 2.9Å; I192-T194 VanDerWaalsContact O-N 3.15Å; I192-H195 WeakPolarHBondContact O-CB 3.4Å; I192-H195 PolarHBondContact O-N 3.16Å; I192-T196 HydrophobicContact CG2-CG2 4.35Å; I192-T196 PolarHBondContact O-N 2.88Å; I192-T196 VanDerWaalsContact O-N 3.16Å |
| 193 | R | 85.4 | Confident | 84.6 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 19% | 0.192 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -21 | 173.6 | -63.4 | -178.6 | -167.4 | 116.2 | 10.4 | 113.6 | R189 G190 H191 H195 T196 G197 E198 A211 D212 | R189-R193 PolarHBondContact O-N 3.34Å; G190-R193 WeakPolarHBondContact O-CB 3.49Å; G190-R193 PolarHBondContact O-N 3.27Å; H191-R193 PolarHBondContact O-N 3.43Å; H191-R193 VanDerWaalsContact O-N 3.17Å; R193-H195 VanDerWaalsContact C-N 3.3Å; R193-T196 WeakPolarHBondContact CA-OG1 3.48Å; R193-G197 WeakPolarHBondContact O-CA 3.4Å; R193-G197 PolarHBondContact O-N 3.16Å; R193-E198 HydrophobicContact CG-CB 4.46Å; R193-E198 PolarHBondContact O-N 3.34Å; R193-A211 HydrophobicContact CB-CB 4.11Å; R193-A211 VanDerWaalsContact CD-O 3.27Å; R193-A211 WeakPolarHBondContact CD-O 3.36Å; R193-A211 PolarHBondContact NH1-O 3.35Å; R193-D212 IonicContact NH1-OD1 3.15Å; R193-D212 PolarHBondContact NH1-OD1 3.45Å; R193-D212 VanDerWaalsContact NH1-OD1 3.15Å |
| 194 | T | 84.4 | Confident | 84.5 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 57% | 0.571 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -73.3 | -25.1 | 173.5 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | H191 I192 | H191-T194 WeakPolarHBondContact O-CB 3.45Å; H191-T194 PolarHBondContact O-N 2.8Å; H191-T194 PolarHBondContact O-OG1 3.24Å; I192-T194 PolarHBondContact O-N 2.9Å; I192-T194 VanDerWaalsContact O-N 3.15Å |
| 195 | H | 82.2 | Confident | 84.5 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -82.8 | -38.3 | 174.2 | -62.9 | -56 | 0 | 0 | 0 | 111.7 | T177 C178 H191 I192 R193 | T177-H195 HydrophobicContact CG2-CB 4.4Å; C178-H195 PolarHBondContact SG-NE2 3.27Å; C178-H195 VanDerWaalsContact SG-NE2 3.41Å; H191-H195 AromaticContact CE1-NE2 3.56Å; H191-H195 AromaticContact NE2-CD2 3.94Å; H191-H195 AromaticContact NE2-NE2 3.17Å; H191-H195 PolarHBondContact NE2-NE2 3Å; H191-H195 VanDerWaalsContact NE2-NE2 3.17Å; I192-H195 WeakPolarHBondContact O-CB 3.4Å; I192-H195 PolarHBondContact O-N 3.16Å; R193-H195 VanDerWaalsContact C-N 3.3Å |
| 196 | T | 82.4 | Confident | 84.7 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -84.4 | -18.1 | -179.1 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | P16 I192 R193 E198 | P16-T196 HydrophobicContact CG-CG2 4.25Å; I192-T196 HydrophobicContact CG2-CG2 4.35Å; I192-T196 PolarHBondContact O-N 2.88Å; I192-T196 VanDerWaalsContact O-N 3.16Å; R193-T196 WeakPolarHBondContact CA-OG1 3.48Å; T196-E198 PolarHBondContact O-N 3.42Å; T196-E198 WeakPolarHBondContact OG1-CG 3.47Å; T196-E198 PolarHBondContact OG1-N 2.56Å |
| 197 | G | 82.3 | Confident | 84.8 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 56% | 0.557 | 35% | 0.353 | S | S | * | . | trans | 72 | 9.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | R193 R199 | R193-G197 WeakPolarHBondContact O-CA 3.4Å; R193-G197 PolarHBondContact O-N 3.16Å; G197-R199 PolarHBondContact O-N 3.3Å | ||
| 198 | E | 81.9 | Confident | 84.7 | Confident | 86 Ų | 86 | 72 Ų | 72 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | trans | -67.8 | 125 | 179.7 | -72.7 | -177.9 | 177.2 | 0 | 0 | 111.5 | Y18 R193 T196 P200 | Y18-E198 PolarHBondContact OH-OE2 3.33Å; R193-E198 HydrophobicContact CG-CB 4.46Å; R193-E198 PolarHBondContact O-N 3.34Å; T196-E198 PolarHBondContact O-N 3.42Å; T196-E198 WeakPolarHBondContact OG1-CG 3.47Å; T196-E198 PolarHBondContact OG1-N 2.56Å; E198-P200 WeakPolarHBondContact O-CD 3.49Å | ||
| 199 | R | 83.1 | Confident | 84.8 | Confident | 141 Ų | 141 | 73.2 Ų | 73.2 | 53% | 0.532 | 38% | 0.376 | S | S | . | . | trans | -124.4 | 74.4 | -180 | -62.2 | 173 | 86 | 150.6 | 4.3 | 110.2 | G197 F201 A209 F210 | G197-R199 PolarHBondContact O-N 3.3Å; R199-F201 PolarHBondContact O-N 3.04Å; R199-A209 HydrophobicContact CB-CB 3.49Å; R199-A209 VanDerWaalsContact CB-CB 3.49Å; R199-A209 HydrophobicContact CG-CB 4.47Å; R199-A209 PolarHBondContact NE-O 2.85Å; R199-A209 PolarHBondContact NH2-O 3.1Å; R199-F210 CarbonylContact C-O 3.56Å; R199-F210 WeakPolarHBondContact CA-O 3.12Å | ||
| 200 | P | 82.9 | Confident | 84.7 | Confident | 76 Ų | 76 | 69.7 Ų | 69.7 | 49% | 0.494 | 36% | 0.364 | S | S | . | . | trans | -71.1 | -10.4 | -171.3 | 27.9 | -34.9 | 0 | 0 | 0 | 114.3 | E198 | E198-P200 WeakPolarHBondContact O-CD 3.49Š| ||
| 201 | F | 84.6 | Confident | 84.6 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 18% | 0.184 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 98.4 | -175.6 | -54.7 | -63.4 | 0 | 0 | 0 | 110.6 | R199 A209 F210 A211 D212 R213 L216 | R199-F201 PolarHBondContact O-N 3.04Å; F201-A209 CarbonylContact O-C 3.33Å; F201-A209 WeakPolarHBondContact O-CA 3.44Å; F201-F210 HydrophobicContact CB-CB 4.39Å; F201-F210 PolarHBondContact N-O 2.92Å; F201-F210 VanDerWaalsContact N-O 3.11Å; F201-F210 PolarHBondContact O-N 3.45Å; F201-A211 WeakPolarHBondContact CE2-O 3.29Å; F201-D212 VanDerWaalsContact CD2-C 3.49Å; F201-R213 HydrophobicContact CD1-CG 3.66Å; F201-R213 HydrophobicContact CD2-CG 4.09Å; F201-R213 HydrophobicContact CE1-CG 3.38Å; F201-R213 VanDerWaalsContact CE1-NE 3.32Å; F201-R213 HydrophobicContact CE2-CG 3.81Å; F201-R213 HydrophobicContact CG-CG 4.02Å; F201-R213 HydrophobicContact CZ-CG 3.46Å; F201-R213 VanDerWaalsContact CZ-CG 3.46Å; F201-L216 HydrophobicContact CB-CB 4.26Å; F201-L216 HydrophobicContact CB-CD2 3.91Å |
| 202 | S | 87.1 | Confident | 84.4 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 145.8 | 175.6 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | R208 | S202-R208 CarbonylContact C-O 3.21Å; S202-R208 WeakPolarHBondContact CA-O 3.44Å |
| 203 | C | 89.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | trans | -80.8 | 128.3 | 166.5 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | H205 N207 R208 F210 L216 H219 | C203-H205 VanDerWaalsContact C-N 3.3Å; C203-H205 PolarHBondContact O-N 3.06Å; C203-H205 PolarHBondContact SG-N 3.42Å; C203-H205 VanDerWaalsContact SG-N 3.39Å; C203-N207 WeakPolarHBondContact O-CA 3.3Å; C203-N207 PolarHBondContact O-N 3.38Å; C203-R208 PolarHBondContact N-O 3.46Å; C203-F210 HydrophobicContact CB-CE2 4.44Å; C203-L216 HydrophobicContact CB-CD1 3.96Å; C203-H219 WeakPolarHBondContact CB-NE2 3.21Å; C203-H219 PolarHBondContact SG-NE2 2.04Å | ||
| 204 | Q | 86.3 | Confident | 84.4 | Confident | 153 Ų | 153 | 81.2 Ų | 81.2 | 72% | 0.715 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -21.5 | 177.4 | -62.9 | -64.7 | -12.9 | 0 | 0 | 113.2 | ||
| 205 | H | 84.9 | Confident | 84.4 | Confident | 140 Ų | 140 | 80.9 Ų | 80.9 | 65% | 0.648 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -33 | -178.3 | -60.8 | -66 | 0 | 0 | 0 | 113.6 | C203 | C203-H205 VanDerWaalsContact C-N 3.3Å; C203-H205 PolarHBondContact O-N 3.06Å; C203-H205 PolarHBondContact SG-N 3.42Å; C203-H205 VanDerWaalsContact SG-N 3.39Å |
| 206 | C | 87.5 | Confident | 84.6 | Confident | 57 Ų | 57 | 78.4 Ų | 78.4 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | 10.2 | -176.8 | 67 | 0 | 0 | 0 | 0 | 114.1 | R208 H219 H223 | C206-R208 PolarHBondContact O-N 2.84Å; C206-R208 VanDerWaalsContact SG-CB 3.59Å; C206-H219 VanDerWaalsContact SG-CE1 3.53Å; C206-H219 PolarHBondContact SG-NE2 3.22Å; C206-H223 PolarHBondContact SG-NE2 3.37Å |
| 207 | N | 84.8 | Confident | 84.8 | Confident | 129 Ų | 129 | 84.4 Ų | 84.4 | 69% | 0.69 | 42% | 0.424 | S | S | * | . | trans | 55.1 | 11.5 | -178.6 | -66.8 | -48.3 | 0 | 0 | 0 | 115.7 | C203 A209 | C203-N207 WeakPolarHBondContact O-CA 3.3Å; C203-N207 PolarHBondContact O-N 3.38Å; N207-A209 PolarHBondContact O-N 3.12Å | ||
| 208 | R | 85.4 | Confident | 84.9 | Confident | 152 Ų | 152 | 83.3 Ų | 83.3 | 57% | 0.574 | 41% | 0.41 | S | S | * | . | trans | -71.6 | 126.6 | 178.9 | -166.2 | 168.7 | -176.7 | 164.5 | 2.2 | 110.6 | S202 C203 C206 F210 | S202-R208 CarbonylContact C-O 3.21Å; S202-R208 WeakPolarHBondContact CA-O 3.44Å; C203-R208 PolarHBondContact N-O 3.46Å; C206-R208 PolarHBondContact O-N 2.84Å; C206-R208 VanDerWaalsContact SG-CB 3.59Å; R208-F210 HydrophobicContact CB-CE2 4.07Å; R208-F210 HydrophobicContact CB-CZ 4.3Å; R208-F210 HydrophobicContact CG-CE2 4.05Å; R208-F210 HydrophobicContact CG-CZ 3.9Å; R208-F210 WeakPolarHBondContact O-CD2 3.31Å; R208-F210 VanDerWaalsContact O-CE2 3.26Å; R208-F210 WeakPolarHBondContact O-CE2 3.49Å | ||
| 209 | A | 86.9 | Confident | 85.1 | Confident | 28 Ų | 28 | 80.4 Ų | 80.4 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R199 F201 N207 | R199-A209 HydrophobicContact CB-CB 3.49Å; R199-A209 VanDerWaalsContact CB-CB 3.49Å; R199-A209 HydrophobicContact CG-CB 4.47Å; R199-A209 PolarHBondContact NE-O 2.85Å; R199-A209 PolarHBondContact NH2-O 3.1Å; F201-A209 CarbonylContact O-C 3.33Å; F201-A209 WeakPolarHBondContact O-CA 3.44Å; N207-A209 PolarHBondContact O-N 3.12Å |
| 210 | F | 82.9 | Confident | 85.3 | Confident | 25 Ų | 25 | 76.9 Ų | 76.9 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.3 | -178.5 | -60.8 | -90.1 | 0 | 0 | 0 | 110.8 | R199 F201 C203 R208 D212 N215 L216 H219 | R199-F210 CarbonylContact C-O 3.56Å; R199-F210 WeakPolarHBondContact CA-O 3.12Å; F201-F210 HydrophobicContact CB-CB 4.39Å; F201-F210 PolarHBondContact N-O 2.92Å; F201-F210 VanDerWaalsContact N-O 3.11Å; F201-F210 PolarHBondContact O-N 3.45Å; C203-F210 HydrophobicContact CB-CE2 4.44Å; R208-F210 HydrophobicContact CB-CE2 4.07Å; R208-F210 HydrophobicContact CB-CZ 4.3Å; R208-F210 HydrophobicContact CG-CE2 4.05Å; R208-F210 HydrophobicContact CG-CZ 3.9Å; R208-F210 WeakPolarHBondContact O-CD2 3.31Å; R208-F210 VanDerWaalsContact O-CE2 3.26Å; R208-F210 WeakPolarHBondContact O-CE2 3.49Å; F210-D212 VanDerWaalsContact C-N 3.34Å; F210-N215 HydrophobicContact CB-CB 4.47Å; F210-N215 HydrophobicContact CD1-CB 3.98Å; F210-L216 HydrophobicContact CB-CB 4.35Å; F210-L216 HydrophobicContact CD2-CB 4.08Å; F210-L216 HydrophobicContact CD2-CD1 3.76Å; F210-L216 HydrophobicContact CE2-CD1 3.98Å; F210-L216 HydrophobicContact CG-CB 4.33Å; F210-H219 HydrophobicContact CE1-CB 3.98Å; F210-H219 HydrophobicContact CE2-CB 4.04Å; F210-H219 AromaticContact CE2-CD2 3.28Å; F210-H219 WeakPolarHBondContact CE2-CD2 3.42Å; F210-H219 AromaticContact CE2-CG 3.73Å; F210-H219 AromaticContact CE2-NE2 3.93Å; F210-H219 HydrophobicContact CZ-CB 3.49Å; F210-H219 VanDerWaalsContact CZ-CB 3.49Å; F210-H219 AromaticContact CZ-CD2 3.34Å; F210-H219 WeakPolarHBondContact CZ-CD2 3.4Å; F210-H219 AromaticContact CZ-CG 3.29Å; F210-H219 AromaticContact CZ-ND1 3.94Å; F210-H219 AromaticContact CZ-NE2 3.95Å |
| 211 | A | 81.3 | Confident | 85.3 | Confident | 22 Ų | 22 | 75.9 Ų | 75.9 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -75.1 | -24.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R193 F201 | R193-A211 HydrophobicContact CB-CB 4.11Å; R193-A211 VanDerWaalsContact CD-O 3.27Å; R193-A211 WeakPolarHBondContact CD-O 3.36Å; R193-A211 PolarHBondContact NH1-O 3.35Å; F201-A211 WeakPolarHBondContact CE2-O 3.29Å |
| 212 | D | 82.3 | Confident | 85.1 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -133.6 | 142.9 | -175.2 | -73.3 | -32.6 | 0 | 0 | 0 | 113 | R193 F201 F210 S214 N215 L216 | R193-D212 IonicContact NH1-OD1 3.15Å; R193-D212 PolarHBondContact NH1-OD1 3.45Å; R193-D212 VanDerWaalsContact NH1-OD1 3.15Å; F201-D212 VanDerWaalsContact CD2-C 3.49Å; F210-D212 VanDerWaalsContact C-N 3.34Å; D212-S214 VanDerWaalsContact C-N 3.31Å; D212-S214 PolarHBondContact O-N 3.44Å; D212-N215 PolarHBondContact O-N 3.32Å; D212-L216 PolarHBondContact O-N 3.03Å; D212-L216 VanDerWaalsContact O-N 3.15Å |
| 213 | R | 84.9 | Confident | 84.9 | Confident | 186 Ų | 186 | 78.6 Ų | 78.6 | 70% | 0.702 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.8 | -36.6 | 177.3 | -70.5 | -173.2 | 177.2 | 150.2 | -1.2 | 113.3 | F201 N215 L216 R217 | F201-R213 HydrophobicContact CD1-CG 3.66Å; F201-R213 HydrophobicContact CD2-CG 4.09Å; F201-R213 HydrophobicContact CE1-CG 3.38Å; F201-R213 VanDerWaalsContact CE1-NE 3.32Å; F201-R213 HydrophobicContact CE2-CG 3.81Å; F201-R213 HydrophobicContact CG-CG 4.02Å; F201-R213 HydrophobicContact CZ-CG 3.46Å; F201-R213 VanDerWaalsContact CZ-CG 3.46Å; R213-N215 VanDerWaalsContact C-N 3.27Å; R213-N215 PolarHBondContact O-N 3.23Å; R213-L216 PolarHBondContact O-N 3.02Å; R213-R217 PolarHBondContact O-N 3.45Å |
| 214 | S | 84.4 | Confident | 84 | Confident | 80 Ų | 80 | 81.5 Ų | 81.5 | 56% | 0.559 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | 178.8 | -58 | 0 | 0 | 0 | 0 | 111.3 | D212 R217 A218 | D212-S214 VanDerWaalsContact C-N 3.31Å; D212-S214 PolarHBondContact O-N 3.44Å; S214-R217 PolarHBondContact O-N 2.61Å; S214-A218 WeakPolarHBondContact O-CB 3.46Å; S214-A218 PolarHBondContact O-N 3.06Å |
| 215 | N | 84.4 | Confident | 83.1 | Confident | 86 Ų | 86 | 82.1 Ų | 82.1 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.2 | -40.9 | 177.9 | -66.8 | -8.3 | 0 | 0 | 0 | 111.2 | F210 D212 R213 R217 A218 H219 | F210-N215 HydrophobicContact CB-CB 4.47Å; F210-N215 HydrophobicContact CD1-CB 3.98Å; D212-N215 PolarHBondContact O-N 3.32Å; R213-N215 VanDerWaalsContact C-N 3.27Å; R213-N215 PolarHBondContact O-N 3.23Å; N215-R217 PolarHBondContact O-N 3.39Å; N215-A218 PolarHBondContact O-N 2.85Å; N215-H219 WeakPolarHBondContact O-CB 3.1Å; N215-H219 PolarHBondContact O-N 3.47Å |
| 216 | L | 87.6 | Confident | 82.3 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 171.6 | 175.5 | 63.5 | 0 | 0 | 0 | 111 | F201 C203 F210 D212 R213 A218 H219 L220 | F201-L216 HydrophobicContact CB-CB 4.26Å; F201-L216 HydrophobicContact CB-CD2 3.91Å; C203-L216 HydrophobicContact CB-CD1 3.96Å; F210-L216 HydrophobicContact CB-CB 4.35Å; F210-L216 HydrophobicContact CD2-CB 4.08Å; F210-L216 HydrophobicContact CD2-CD1 3.76Å; F210-L216 HydrophobicContact CE2-CD1 3.98Å; F210-L216 HydrophobicContact CG-CB 4.33Å; D212-L216 PolarHBondContact O-N 3.03Å; D212-L216 VanDerWaalsContact O-N 3.15Å; R213-L216 PolarHBondContact O-N 3.02Å; L216-A218 PolarHBondContact O-N 3.44Å; L216-H219 CarbonylContact O-C 3.57Å; L216-H219 WeakPolarHBondContact O-CB 3.07Å; L216-H219 PolarHBondContact O-N 3.01Å; L216-H219 VanDerWaalsContact O-N 3.14Å; L216-L220 HydrophobicContact CD1-CG 4.25Å; L216-L220 HydrophobicContact CG-CD1 4.26Å; L216-L220 HydrophobicContact CG-CG 4.42Å; L216-L220 WeakPolarHBondContact O-CG 3.27Å; L216-L220 PolarHBondContact O-N 3.12Å |
| 217 | R | 86.8 | Confident | 81.5 | Confident | 186 Ų | 186 | 82 Ų | 82 | 70% | 0.702 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 178.9 | -179.5 | 180 | -74.8 | 163.3 | -4.5 | 112.2 | R213 S214 N215 H219 L220 Q221 | R213-R217 PolarHBondContact O-N 3.45Å; S214-R217 PolarHBondContact O-N 2.61Å; N215-R217 PolarHBondContact O-N 3.39Å; R217-H219 VanDerWaalsContact C-N 3.26Å; R217-H219 PolarHBondContact O-N 3.37Å; R217-L220 PolarHBondContact O-N 3.28Å; R217-Q221 PolarHBondContact O-N 2.84Å |
| 218 | A | 84.1 | Confident | 81.1 | Confident | 30 Ų | 30 | 82.8 Ų | 82.8 | 25% | 0.248 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.3 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S214 N215 L216 Q221 | S214-A218 WeakPolarHBondContact O-CB 3.46Å; S214-A218 PolarHBondContact O-N 3.06Å; N215-A218 PolarHBondContact O-N 2.85Å; L216-A218 PolarHBondContact O-N 3.44Å; A218-Q221 WeakPolarHBondContact O-CB 3.41Å |
| 219 | H | 86.5 | Confident | 80.9 | Confident | 26 Ų | 26 | 79.5 Ų | 79.5 | 12% | 0.12 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 173.5 | 166.7 | 62.4 | 0 | 0 | 0 | 112.5 | C203 C206 F210 N215 L216 R217 Q221 T222 H223 | C203-H219 WeakPolarHBondContact CB-NE2 3.21Å; C203-H219 PolarHBondContact SG-NE2 2.04Å; C206-H219 VanDerWaalsContact SG-CE1 3.53Å; C206-H219 PolarHBondContact SG-NE2 3.22Å; F210-H219 HydrophobicContact CE1-CB 3.98Å; F210-H219 HydrophobicContact CE2-CB 4.04Å; F210-H219 AromaticContact CE2-CD2 3.28Å; F210-H219 WeakPolarHBondContact CE2-CD2 3.42Å; F210-H219 AromaticContact CE2-CG 3.73Å; F210-H219 AromaticContact CE2-NE2 3.93Å; F210-H219 HydrophobicContact CZ-CB 3.49Å; F210-H219 VanDerWaalsContact CZ-CB 3.49Å; F210-H219 AromaticContact CZ-CD2 3.34Å; F210-H219 WeakPolarHBondContact CZ-CD2 3.4Å; F210-H219 AromaticContact CZ-CG 3.29Å; F210-H219 AromaticContact CZ-ND1 3.94Å; F210-H219 AromaticContact CZ-NE2 3.95Å; N215-H219 WeakPolarHBondContact O-CB 3.1Å; N215-H219 PolarHBondContact O-N 3.47Å; L216-H219 CarbonylContact O-C 3.57Å; L216-H219 WeakPolarHBondContact O-CB 3.07Å; L216-H219 PolarHBondContact O-N 3.01Å; L216-H219 VanDerWaalsContact O-N 3.14Å; R217-H219 VanDerWaalsContact C-N 3.26Å; R217-H219 PolarHBondContact O-N 3.37Å; H219-Q221 PolarHBondContact O-N 3.36Å; H219-Q221 VanDerWaalsContact O-N 3.11Å; H219-T222 WeakPolarHBondContact O-CB 3.48Å; H219-T222 PolarHBondContact O-N 2.86Å; H219-T222 PolarHBondContact O-OG1 3.41Å; H219-H223 AromaticContact CE1-CD2 3.96Å; H219-H223 AromaticContact CE1-NE2 3.36Å; H219-H223 PolarHBondContact CE1-NE2 3.06Å; H219-H223 AromaticContact NE2-CD2 3.86Å; H219-H223 AromaticContact NE2-NE2 3.31Å; H219-H223 PolarHBondContact NE2-NE2 2.89Å |
| 220 | L | 85.7 | Confident | 80.7 | Confident | 67 Ų | 67 | 83.8 Ų | 83.8 | 35% | 0.351 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.6 | -26.5 | 176.6 | -69.7 | 172.8 | 0 | 0 | 0 | 112.9 | L216 R217 T222 H223 A224 | L216-L220 HydrophobicContact CD1-CG 4.25Å; L216-L220 HydrophobicContact CG-CD1 4.26Å; L216-L220 HydrophobicContact CG-CG 4.42Å; L216-L220 WeakPolarHBondContact O-CG 3.27Å; L216-L220 PolarHBondContact O-N 3.12Å; R217-L220 PolarHBondContact O-N 3.28Å; L220-T222 PolarHBondContact O-N 2.96Å; L220-H223 PolarHBondContact O-N 2.92Å; L220-H223 VanDerWaalsContact O-N 3.16Å; L220-A224 PolarHBondContact O-N 2.83Å |
| 221 | Q | 83.5 | Confident | 80.8 | Confident | 54 Ų | 54 | 82.9 Ų | 82.9 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.1 | -20.6 | 172.7 | -65 | 174.4 | -18.2 | 0 | 0 | 113.5 | R217 A218 H219 S239 | R217-Q221 PolarHBondContact O-N 2.84Å; A218-Q221 WeakPolarHBondContact O-CB 3.41Å; H219-Q221 PolarHBondContact O-N 3.36Å; H219-Q221 VanDerWaalsContact O-N 3.11Å; Q221-S239 PolarHBondContact OE1-O 3.13Å |
| 222 | T | 81.4 | Confident | 80.8 | Confident | 77 Ų | 77 | 85.9 Ų | 85.9 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -76.7 | -27.2 | 174.7 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | H219 L220 | H219-T222 WeakPolarHBondContact O-CB 3.48Å; H219-T222 PolarHBondContact O-N 2.86Å; H219-T222 PolarHBondContact O-OG1 3.41Å; L220-T222 PolarHBondContact O-N 2.96Å |
| 223 | H | 81.6 | Confident | 80.8 | Confident | 79 Ų | 79 | 88.9 Ų | 88.9 | 37% | 0.366 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -78.5 | -32.5 | 174.5 | -70.6 | -65 | 0 | 0 | 0 | 112.4 | C206 H219 L220 E225 | C206-H223 PolarHBondContact SG-NE2 3.37Å; H219-H223 AromaticContact CE1-CD2 3.96Å; H219-H223 AromaticContact CE1-NE2 3.36Å; H219-H223 PolarHBondContact CE1-NE2 3.06Å; H219-H223 AromaticContact NE2-CD2 3.86Å; H219-H223 AromaticContact NE2-NE2 3.31Å; H219-H223 PolarHBondContact NE2-NE2 2.89Å; L220-H223 PolarHBondContact O-N 2.92Å; L220-H223 VanDerWaalsContact O-N 3.16Å; H223-E225 VanDerWaalsContact C-N 3.31Å; H223-E225 PolarHBondContact O-N 3.12Å |
| 224 | A | 71.9 | Confident | 80.8 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -85.6 | 0.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | L220 V226 | L220-A224 PolarHBondContact O-N 2.83Å; A224-V226 HydrophobicContact CB-CG2 3.76Å; A224-V226 WeakPolarHBondContact O-CG2 3.45Å; A224-V226 PolarHBondContact O-N 3.46Å |
| 225 | E | 66.7 | Low | 80.6 | Confident | 165 Ų | 165 | 82.2 Ų | 82.2 | 77% | 0.771 | 44% | 0.443 | S | S | * | . | trans | 47.7 | 14.4 | -174.3 | -58.9 | -162.8 | 155.7 | 0 | 0 | 116.4 | H223 K227 | H223-E225 VanDerWaalsContact C-N 3.31Å; H223-E225 PolarHBondContact O-N 3.12Å; E225-K227 PolarHBondContact O-N 3.06Å | ||
| 226 | V | 68.2 | Low | 80.4 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 41% | 0.406 | 45% | 0.451 | S | S | . | . | trans | -77 | 90.6 | -173.9 | -162.1 | 0 | 0 | 0 | 0 | 110.2 | A224 K228 | A224-V226 HydrophobicContact CB-CG2 3.76Å; A224-V226 WeakPolarHBondContact O-CG2 3.45Å; A224-V226 PolarHBondContact O-N 3.46Å; V226-K228 HydrophobicContact CB-CG 4.45Å; V226-K228 HydrophobicContact CG1-CD 4.16Å; V226-K228 HydrophobicContact CG1-CG 3.59Å; V226-K228 PolarHBondContact O-N 3.45Å; V226-K228 VanDerWaalsContact O-N 3.17Å | ||
| 227 | K | 70.1 | Confident | 80.2 | Confident | 129 Ų | 129 | 87.4 Ų | 87.4 | 56% | 0.561 | 46% | 0.461 | S | S | * | . | trans | -82.2 | 86.3 | 174.1 | -62.9 | 176.5 | -175.5 | 170.2 | 0 | 110.2 | E225 T237 F238 | E225-K227 PolarHBondContact O-N 3.06Å; K227-T237 WeakPolarHBondContact CD-OG1 3.46Å; K227-F238 CarbonylContact C-O 3.51Å; K227-F238 WeakPolarHBondContact CA-O 3.36Å | ||
| 228 | K | 76.3 | Confident | 79.9 | Confident | 145 Ų | 145 | 80.4 Ų | 80.4 | 63% | 0.63 | 44% | 0.436 | S | S | * | . | trans | -80 | -18.5 | -175.5 | -60.8 | -171.7 | 178.9 | -173.7 | 0 | 114.8 | V226 F238 | V226-K228 HydrophobicContact CB-CG 4.45Å; V226-K228 HydrophobicContact CG1-CD 4.16Å; V226-K228 HydrophobicContact CG1-CG 3.59Å; V226-K228 PolarHBondContact O-N 3.45Å; V226-K228 VanDerWaalsContact O-N 3.17Å; K228-F238 PolarHBondContact N-O 2.78Å | ||
| 229 | Y | 80.7 | Confident | 79.9 | Confident | 83 Ų | 83 | 80 Ų | 80 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 108.8 | -167.8 | -59 | -79.2 | 0 | 0 | 0 | 110.5 | T237 F238 R240 M241 | Y229-T237 CarbonylContact O-C 3.59Å; Y229-T237 WeakPolarHBondContact O-CA 3.34Å; Y229-F238 PolarHBondContact N-O 3.42Å; Y229-F238 PolarHBondContact O-N 2.81Å; Y229-R240 VanDerWaalsContact CD2-C 3.47Å; Y229-M241 HydrophobicContact CD1-CB 4.02Å; Y229-M241 HydrophobicContact CD1-CG 4.39Å; Y229-M241 HydrophobicContact CE1-CB 3.85Å; Y229-M241 HydrophobicContact CE1-CG 4.37Å; Y229-M241 HydrophobicContact CE2-CB 4.44Å; Y229-M241 HydrophobicContact CG-CB 4.39Å |
| 230 | Q | 83.8 | Confident | 79.6 | Confident | 118 Ų | 118 | 83.2 Ų | 83.2 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 140.9 | 179.2 | -168.1 | 173 | 23.2 | 0 | 0 | 111.4 | S235 R236 T237 | Q230-S235 WeakPolarHBondContact CG-O 3.47Å; Q230-S235 PolarHBondContact NE2-O 3.2Å; Q230-R236 CarbonylContact C-O 3.45Å; Q230-R236 WeakPolarHBondContact CA-O 3.44Å; Q230-T237 HydrophobicContact CB-CG2 4.1Å; Q230-T237 HydrophobicContact CG-CG2 3.91Å |
| 231 | C | 84.3 | Confident | 79.6 | Confident | 6 Ų | 6 | 85 Ų | 85 | 4% | 0.041 | 45% | 0.451 | C | S | . | . | trans | -73.3 | 126 | 167.3 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | V233 C234 S235 R236 F238 L244 C252 | C231-V233 PolarHBondContact O-N 2.88Å; C231-V233 PolarHBondContact SG-N 3.12Å; C231-C234 VanDerWaalsContact SG-SG 3.66Å; C231-S235 WeakPolarHBondContact O-CA 3.44Å; C231-S235 PolarHBondContact O-N 3.3Å; C231-R236 PolarHBondContact N-O 3.32Å; C231-F238 HydrophobicContact CB-CE2 4.35Å; C231-L244 HydrophobicContact CB-CD1 3.72Å; C231-C252 VanDerWaalsContact SG-SG 3.69Å | ||
| 232 | G | 81.3 | Confident | 79.7 | Confident | 84 Ų | 84 | 84.8 Ų | 84.8 | 87% | 0.866 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -9.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 233 | V | 82.8 | Confident | 79.8 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 65% | 0.648 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -52.5 | -176.7 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | C231 C252 | C231-V233 PolarHBondContact O-N 2.88Å; C231-V233 PolarHBondContact SG-N 3.12Å; V233-C252 VanDerWaalsContact CB-SG 3.5Å; V233-C252 VanDerWaalsContact CG1-SG 3.53Å |
| 234 | C | 84.9 | Confident | 80.1 | Confident | 47 Ų | 47 | 81.5 Ų | 81.5 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 15.5 | -178.8 | 41 | 0 | 0 | 0 | 0 | 113.7 | C231 R236 H247 C252 | C231-C234 VanDerWaalsContact SG-SG 3.66Å; C234-R236 PolarHBondContact O-N 3.34Å; C234-H247 PolarHBondContact SG-CE1 2.82Å; C234-H247 PolarHBondContact SG-NE2 2.96Å; C234-C252 WeakPolarHBondContact CB-SG 3.31Å; C234-C252 PolarHBondContact N-SG 3.44Å; C234-C252 WeakPolarHBondContact SG-CB 3.39Å; C234-C252 CovalentContact SG-SG 2.06Å; C234-C252 PolarHBondContact SG-SG 3.46Å |
| 235 | S | 80.1 | Confident | 80.7 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | trans | 55.2 | 7.2 | 174.4 | -62.9 | 0 | 0 | 0 | 0 | 116.6 | Q230 C231 | Q230-S235 WeakPolarHBondContact CG-O 3.47Å; Q230-S235 PolarHBondContact NE2-O 3.2Å; C231-S235 WeakPolarHBondContact O-CA 3.44Å; C231-S235 PolarHBondContact O-N 3.3Å | ||
| 236 | R | 80.6 | Confident | 81.6 | Confident | 163 Ų | 163 | 83.2 Ų | 83.2 | 62% | 0.615 | 43% | 0.432 | S | S | * | . | trans | -66.9 | 135.6 | 178 | -73.8 | -175.5 | 177.2 | -176 | 0.6 | 110.9 | Q230 C231 C234 F238 | Q230-R236 CarbonylContact C-O 3.45Å; Q230-R236 WeakPolarHBondContact CA-O 3.44Å; C231-R236 PolarHBondContact N-O 3.32Å; C234-R236 PolarHBondContact O-N 3.34Å; R236-F238 HydrophobicContact CB-CE2 3.84Å; R236-F238 HydrophobicContact CB-CZ 3.99Å; R236-F238 WeakPolarHBondContact O-CE2 3.42Å | ||
| 237 | T | 82.7 | Confident | 82.4 | Confident | 62 Ų | 62 | 81.5 Ų | 81.5 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.1 | -178.8 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | K227 Y229 Q230 | K227-T237 WeakPolarHBondContact CD-OG1 3.46Å; Y229-T237 CarbonylContact O-C 3.59Å; Y229-T237 WeakPolarHBondContact O-CA 3.34Å; Q230-T237 HydrophobicContact CB-CG2 4.1Å; Q230-T237 HydrophobicContact CG-CG2 3.91Å |
| 238 | F | 81.7 | Confident | 82.9 | Confident | 38 Ų | 38 | 78.7 Ų | 78.7 | 17% | 0.167 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146 | -175.6 | -59.9 | -86.9 | 0 | 0 | 0 | 109.9 | K227 K228 Y229 C231 R236 R240 L243 L244 H247 | K227-F238 CarbonylContact C-O 3.51Å; K227-F238 WeakPolarHBondContact CA-O 3.36Å; K228-F238 PolarHBondContact N-O 2.78Å; Y229-F238 PolarHBondContact N-O 3.42Å; Y229-F238 PolarHBondContact O-N 2.81Å; C231-F238 HydrophobicContact CB-CE2 4.35Å; R236-F238 HydrophobicContact CB-CE2 3.84Å; R236-F238 HydrophobicContact CB-CZ 3.99Å; R236-F238 WeakPolarHBondContact O-CE2 3.42Å; F238-R240 VanDerWaalsContact C-N 3.32Å; F238-L243 HydrophobicContact CB-CB 4.25Å; F238-L243 HydrophobicContact CD1-CB 3.83Å; F238-L243 HydrophobicContact CG-CB 4.3Å; F238-L244 HydrophobicContact CB-CB 4.41Å; F238-L244 HydrophobicContact CD2-CB 3.91Å; F238-L244 HydrophobicContact CD2-CD1 3.91Å; F238-L244 HydrophobicContact CE2-CD1 3.97Å; F238-L244 HydrophobicContact CG-CB 4.28Å; F238-H247 HydrophobicContact CE1-CB 4.03Å; F238-H247 HydrophobicContact CE2-CB 4.12Å; F238-H247 AromaticContact CE2-CD2 3.33Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.41Å; F238-H247 AromaticContact CE2-CG 3.81Å; F238-H247 AromaticContact CE2-NE2 3.96Å; F238-H247 HydrophobicContact CZ-CB 3.54Å; F238-H247 AromaticContact CZ-CD2 3.29Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.41Å; F238-H247 AromaticContact CZ-CG 3.29Å; F238-H247 AromaticContact CZ-ND1 3.92Å; F238-H247 AromaticContact CZ-NE2 3.86Å |
| 239 | S | 83 | Confident | 83.1 | Confident | 23 Ų | 23 | 75.7 Ų | 75.7 | 16% | 0.161 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -74.7 | -21.1 | 174.6 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | Q221 | Q221-S239 PolarHBondContact OE1-O 3.13Š|
| 240 | R | 80.9 | Confident | 82.9 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 35% | 0.351 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -135.1 | 140.3 | -176.8 | -61.9 | -175.7 | -67.4 | 127.7 | -10.1 | 112.4 | Y229 F238 S242 L243 L244 | Y229-R240 VanDerWaalsContact CD2-C 3.47Å; F238-R240 VanDerWaalsContact C-N 3.32Å; R240-S242 VanDerWaalsContact C-N 3.28Å; R240-S242 PolarHBondContact NH1-OG 3.03Å; R240-S242 PolarHBondContact O-N 3.29Å; R240-L243 HydrophobicContact CB-CD1 4.25Å; R240-L243 HydrophobicContact CB-CG 4.26Å; R240-L243 WeakPolarHBondContact O-CB 3.49Å; R240-L243 PolarHBondContact O-N 3.06Å; R240-L244 PolarHBondContact O-N 3.11Å |
| 241 | M | 84.9 | Confident | 82 | Confident | 104 Ų | 104 | 73.4 Ų | 73.4 | 51% | 0.512 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.9 | -36.7 | 176.1 | -168.7 | 176.1 | 81.6 | 0 | 0 | 113 | Y229 L243 L244 Q245 | Y229-M241 HydrophobicContact CD1-CB 4.02Å; Y229-M241 HydrophobicContact CD1-CG 4.39Å; Y229-M241 HydrophobicContact CE1-CB 3.85Å; Y229-M241 HydrophobicContact CE1-CG 4.37Å; Y229-M241 HydrophobicContact CE2-CB 4.44Å; Y229-M241 HydrophobicContact CG-CB 4.39Å; M241-L243 PolarHBondContact O-N 3.12Å; M241-L244 WeakPolarHBondContact O-CB 3.35Å; M241-L244 PolarHBondContact O-N 3.06Å; M241-Q245 WeakPolarHBondContact O-CG 3.49Å; M241-Q245 PolarHBondContact O-N 3.01Å |
| 242 | S | 85.6 | Confident | 80.8 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 35% | 0.35 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -30 | 177.5 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | R240 K246 | R240-S242 VanDerWaalsContact C-N 3.28Å; R240-S242 PolarHBondContact NH1-OG 3.03Å; R240-S242 PolarHBondContact O-N 3.29Å; S242-K246 WeakPolarHBondContact O-CG 3.35Å; S242-K246 PolarHBondContact O-N 3.03Å |
| 243 | L | 84.7 | Confident | 79.6 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 29% | 0.288 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74.7 | -42 | 175.9 | -68.8 | 174.2 | 0 | 0 | 0 | 110.5 | F238 R240 M241 Q245 K246 H247 | F238-L243 HydrophobicContact CB-CB 4.25Å; F238-L243 HydrophobicContact CD1-CB 3.83Å; F238-L243 HydrophobicContact CG-CB 4.3Å; R240-L243 HydrophobicContact CB-CD1 4.25Å; R240-L243 HydrophobicContact CB-CG 4.26Å; R240-L243 WeakPolarHBondContact O-CB 3.49Å; R240-L243 PolarHBondContact O-N 3.06Å; M241-L243 PolarHBondContact O-N 3.12Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 2.92Å; L243-K246 PolarHBondContact O-N 2.81Å; L243-H247 WeakPolarHBondContact O-CB 3.26Å; L243-H247 PolarHBondContact O-N 3Å |
| 244 | L | 86.5 | Confident | 78.4 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 17% | 0.168 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 172 | 172.2 | 61.3 | 0 | 0 | 0 | 111.3 | C231 F238 R240 M241 K246 H247 S248 | C231-L244 HydrophobicContact CB-CD1 3.72Å; F238-L244 HydrophobicContact CB-CB 4.41Å; F238-L244 HydrophobicContact CD2-CB 3.91Å; F238-L244 HydrophobicContact CD2-CD1 3.91Å; F238-L244 HydrophobicContact CE2-CD1 3.97Å; F238-L244 HydrophobicContact CG-CB 4.28Å; R240-L244 PolarHBondContact O-N 3.11Å; M241-L244 WeakPolarHBondContact O-CB 3.35Å; M241-L244 PolarHBondContact O-N 3.06Å; L244-K246 PolarHBondContact O-N 3.21Å; L244-H247 CarbonylContact O-C 3.55Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.03Å; L244-H247 VanDerWaalsContact O-N 3.16Å; L244-S248 WeakPolarHBondContact O-CB 3.5Å; L244-S248 PolarHBondContact O-N 3.39Å; L244-S248 PolarHBondContact O-OG 3.34Å |
| 245 | Q | 85.8 | Confident | 76.9 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 51% | 0.514 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 178.3 | -77.1 | -176.6 | -36.2 | 0 | 0 | 112.8 | M241 L243 H247 S248 A249 | M241-Q245 WeakPolarHBondContact O-CG 3.49Å; M241-Q245 PolarHBondContact O-N 3.01Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-Q245 PolarHBondContact O-N 2.92Å; Q245-H247 VanDerWaalsContact C-N 3.33Å; Q245-S248 WeakPolarHBondContact CA-OG 3.29Å; Q245-S248 PolarHBondContact O-N 3.23Å; Q245-S248 PolarHBondContact O-OG 3.18Å; Q245-A249 WeakPolarHBondContact O-CB 3.44Å; Q245-A249 PolarHBondContact O-N 3.18Å |
| 246 | K | 85.3 | Confident | 75.4 | Confident | 153 Ų | 153 | 80.7 Ų | 80.7 | 67% | 0.665 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 173.7 | -75.3 | -178 | 179 | -165.1 | 0 | 111.4 | S242 L243 L244 A249 A250 | S242-K246 WeakPolarHBondContact O-CG 3.35Å; S242-K246 PolarHBondContact O-N 3.03Å; L243-K246 PolarHBondContact O-N 2.81Å; L244-K246 PolarHBondContact O-N 3.21Å; K246-A249 PolarHBondContact O-N 3.01Å; K246-A250 WeakPolarHBondContact O-CB 3.1Å; K246-A250 PolarHBondContact O-N 3.06Å |
| 247 | H | 84.1 | Confident | 73.4 | Confident | 32 Ų | 32 | 81.4 Ų | 81.4 | 15% | 0.148 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 178.1 | 168.2 | 65.4 | 0 | 0 | 0 | 112.9 | C234 F238 L243 L244 Q245 | C234-H247 PolarHBondContact SG-CE1 2.82Å; C234-H247 PolarHBondContact SG-NE2 2.96Å; F238-H247 HydrophobicContact CE1-CB 4.03Å; F238-H247 HydrophobicContact CE2-CB 4.12Å; F238-H247 AromaticContact CE2-CD2 3.33Å; F238-H247 WeakPolarHBondContact CE2-CD2 3.41Å; F238-H247 AromaticContact CE2-CG 3.81Å; F238-H247 AromaticContact CE2-NE2 3.96Å; F238-H247 HydrophobicContact CZ-CB 3.54Å; F238-H247 AromaticContact CZ-CD2 3.29Å; F238-H247 WeakPolarHBondContact CZ-CD2 3.41Å; F238-H247 AromaticContact CZ-CG 3.29Å; F238-H247 AromaticContact CZ-ND1 3.92Å; F238-H247 AromaticContact CZ-NE2 3.86Å; L243-H247 WeakPolarHBondContact O-CB 3.26Å; L243-H247 PolarHBondContact O-N 3Å; L244-H247 CarbonylContact O-C 3.55Å; L244-H247 WeakPolarHBondContact O-CB 3.34Å; L244-H247 PolarHBondContact O-N 3.03Å; L244-H247 VanDerWaalsContact O-N 3.16Å; Q245-H247 VanDerWaalsContact C-N 3.33Å |
| 248 | S | 80.5 | Confident | 72.9 | Confident | 69 Ų | 69 | 82.4 Ų | 82.4 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72 | -33.6 | 176 | 63 | 0 | 0 | 0 | 0 | 112.3 | L244 Q245 | L244-S248 WeakPolarHBondContact O-CB 3.5Å; L244-S248 PolarHBondContact O-N 3.39Å; L244-S248 PolarHBondContact O-OG 3.34Å; Q245-S248 WeakPolarHBondContact CA-OG 3.29Å; Q245-S248 PolarHBondContact O-N 3.23Å; Q245-S248 PolarHBondContact O-OG 3.18Å |
| 249 | A | 81.5 | Confident | 72.4 | Confident | 83 Ų | 83 | 84.7 Ų | 84.7 | 69% | 0.686 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.6 | -30.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q245 K246 S251 | Q245-A249 WeakPolarHBondContact O-CB 3.44Å; Q245-A249 PolarHBondContact O-N 3.18Å; K246-A249 PolarHBondContact O-N 3.01Å; A249-S251 PolarHBondContact O-N 3.41Å; A249-S251 VanDerWaalsContact O-N 3.15Å |
| 250 | A | 76.1 | Confident | 71.8 | Confident | 76 Ų | 76 | 88.2 Ų | 88.2 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 25.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K246 | K246-A250 WeakPolarHBondContact O-CB 3.1Å; K246-A250 PolarHBondContact O-N 3.06Å |
| 251 | S | 64.3 | Low | 71.3 | Confident | 76 Ų | 76 | 87.9 Ų | 87.9 | 53% | 0.531 | 57% | 0.566 | S | S | . | * | trans | 55.9 | 95.9 | -176.5 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | A249 C253 | A249-S251 PolarHBondContact O-N 3.41Å; A249-S251 VanDerWaalsContact O-N 3.15Å; S251-C253 PolarHBondContact O-N 3.28Å | ||
| 252 | C | 60.1 | Low | 70.5 | Confident | 32 Ų | 32 | 86.9 Ų | 86.9 | 22% | 0.216 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -62.3 | 4.8 | 161.8 | 166.3 | 0 | 0 | 0 | 0 | 112.2 | C231 V233 C234 | C231-C252 VanDerWaalsContact SG-SG 3.69Å; V233-C252 VanDerWaalsContact CB-SG 3.5Å; V233-C252 VanDerWaalsContact CG1-SG 3.53Å; C234-C252 WeakPolarHBondContact CB-SG 3.31Å; C234-C252 PolarHBondContact N-SG 3.44Å; C234-C252 WeakPolarHBondContact SG-CB 3.39Å; C234-C252 CovalentContact SG-SG 2.06Å; C234-C252 PolarHBondContact SG-SG 3.46Å |
| 253 | C | 55.1 | Low | 69.5 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | trans | -128.5 | 94.3 | 178.2 | -53 | 0 | 0 | 0 | 0 | 111.4 | S251 | S251-C253 PolarHBondContact O-N 3.28Š| ||
| 254 | S | 58.8 | Low | 68.4 | Low | 106 Ų | 106 | 91.8 Ų | 91.8 | 74% | 0.741 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -125.3 | 16.1 | 159.9 | -45.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 255 | S | 53.7 | Low | 67 | Low | 107 Ų | 107 | 96.4 Ų | 96.4 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -162.9 | 112.1 | 172.6 | -56.1 | 0 | 0 | 0 | 0 | 104.3 | ||
| 256 | T | 46.9 | Very low | 65.4 | Low | 142 Ų | 142 | 95.3 Ų | 95.3 | 87% | 0.871 | 65% | 0.649 | S | S | * | * | -157.8 | 130.4 | 63.1 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 257 | A | 38.6 | Very low | 63.6 | Low | 178 Ų | 178 | 90 Ų | 90 | 100% | 1.471 | 65% | 0.648 | S | S | * | * | trans | -120.3 | 0 | 154 | 0 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 257 of 257 residues in 662.2 ms
(Link to these results)