| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.9 | Very low | 35.5 | Very low | 250 Ų | 250 | 177.8 Ų | 177.8 | 100% | 1.232 | 87% | 0.869 | S | S | * | * | 0 | 106.4 | 0 | -76.5 | 171.7 | 157.4 | 0 | 0 | 108.7 | |||||
| 2 | K | 34.3 | Very low | 35 | Very low | 203 Ų | 203 | 184.5 Ų | 184.5 | 88% | 0.883 | 88% | 0.878 | S | S | * | * | trans | -106.6 | 133.9 | 173.8 | -73.1 | 176.7 | 175.9 | 177.1 | 0 | 107.4 | ||||
| 3 | P | 37.7 | Very low | 35.1 | Very low | 131 Ų | 131 | 182.8 Ų | 182.8 | 85% | 0.851 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 135.3 | 170.8 | 30.3 | -29.1 | 0 | 0 | 0 | 110.2 | ||
| 4 | R | 34.4 | Very low | 35 | Very low | 236 Ų | 236 | 173.8 Ų | 173.8 | 89% | 0.891 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 147.4 | 173.9 | -65.1 | -178.4 | -179.6 | -156.3 | 0.2 | 109.8 | ||
| 5 | P | 35.6 | Very low | 35.2 | Very low | 127 Ų | 127 | 170.1 Ų | 170.1 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 133.5 | 173.2 | 30.7 | -28.9 | 0 | 0 | 0 | 111 | R7 | P5-R7 PolarHBondContact O-N 3.36Š|
| 6 | I | 35.3 | Very low | 35.2 | Very low | 163 Ų | 163 | 173.7 Ų | 173.7 | 84% | 0.836 | 85% | 0.849 | S | S | * | * | trans | -75.6 | 114.4 | 177.7 | -66 | 164.6 | 0 | 0 | 0 | 108.4 | S8 | I6-S8 PolarHBondContact O-N 3.27Š| ||
| 7 | R | 33.9 | Very low | 35.1 | Very low | 243 Ų | 243 | 171.7 Ų | 171.7 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | trans | -82.4 | 100.6 | 164.4 | -89 | -177.7 | 170.2 | -173.1 | -3.7 | 108.4 | P5 R9 | P5-R7 PolarHBondContact O-N 3.36Å; R7-R9 PolarHBondContact O-N 3.02Å | ||
| 8 | S | 32.6 | Very low | 35 | Very low | 106 Ų | 106 | 174.5 Ų | 174.5 | 74% | 0.741 | 84% | 0.841 | S | S | * | * | trans | -80.6 | 104.8 | 164.9 | 51.6 | 0 | 0 | 0 | 0 | 109.4 | I6 | I6-S8 PolarHBondContact O-N 3.27Š| ||
| 9 | R | 35.7 | Very low | 35 | Very low | 237 Ų | 237 | 172.2 Ų | 172.2 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | trans | -73.5 | 124.9 | 161.6 | -72.6 | 178.9 | 177 | -145.9 | -0.6 | 107.9 | R7 | R7-R9 PolarHBondContact O-N 3.02Š| ||
| 10 | L | 34.2 | Very low | 34.9 | Very low | 158 Ų | 158 | 168.3 Ų | 168.3 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | trans | -130.7 | 146.8 | 156.6 | -79.5 | 173.7 | 0 | 0 | 0 | 109.7 | ||||
| 11 | P | 36.2 | Very low | 34.8 | Very low | 102 Ų | 102 | 168.5 Ų | 168.5 | 66% | 0.662 | 83% | 0.826 | S | S | * | * | trans | -91.1 | 137.3 | -159.7 | 31.4 | -23.5 | 0 | 0 | 0 | 111.9 | I13 | P11-I13 PolarHBondContact O-N 3.01Š| ||
| 12 | W | 29.7 | Very low | 34.4 | Very low | 258 Ų | 258 | 167.9 Ų | 167.9 | 98% | 0.977 | 81% | 0.81 | S | S | * | * | trans | -65.2 | 109.9 | 169.1 | -74.3 | 69.1 | 0 | 0 | 0 | 109.5 | ||||
| 13 | I | 35.7 | Very low | 34.4 | Very low | 163 Ų | 163 | 166.1 Ų | 166.1 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -99.2 | 103.5 | 166.5 | -64.6 | 166.6 | 0 | 0 | 0 | 106.2 | P11 | P11-I13 PolarHBondContact O-N 3.01Š| ||
| 14 | G | 33.4 | Very low | 34.3 | Very low | 56 Ų | 56 | 166.2 Ų | 166.2 | 58% | 0.577 | 81% | 0.807 | S | S | * | * | trans | -121.3 | 139.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R16 | G14-R16 PolarHBondContact O-N 3.44Š| ||
| 15 | P | 38.7 | Very low | 34.4 | Very low | 119 Ų | 119 | 159.8 Ų | 159.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -70.4 | 114 | -174.9 | 27.4 | -31.3 | 0 | 0 | 0 | 110.4 | I17 | P15-I17 PolarHBondContact O-N 3.33Š| ||
| 16 | R | 34.8 | Very low | 34.2 | Very low | 227 Ų | 227 | 159.2 Ų | 159.2 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 91 | 165.4 | -87.5 | 179.3 | 157 | 172.8 | -4.9 | 108.8 | G14 R18 | G14-R16 PolarHBondContact O-N 3.44Å; R16-R18 PolarHBondContact O-N 2.79Å | ||
| 17 | I | 33.8 | Very low | 35 | Very low | 140 Ų | 140 | 156.8 Ų | 156.8 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -70.9 | 98.3 | 164.6 | -61.7 | 172.5 | 0 | 0 | 0 | 107.1 | P15 L19 | P15-I17 PolarHBondContact O-N 3.33Å; I17-L19 HydrophobicContact CG2-CD1 3.79Å; I17-L19 PolarHBondContact O-N 3.01Å | ||
| 18 | R | 33.2 | Very low | 35 | Very low | 222 Ų | 222 | 156.3 Ų | 156.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -78.8 | 97 | 165.5 | -78.1 | -176.7 | 176.7 | -177 | -0.5 | 107.9 | R16 A20 | R16-R18 PolarHBondContact O-N 2.79Å; R18-A20 PolarHBondContact O-N 3.21Å | ||
| 19 | L | 34.3 | Very low | 35.1 | Very low | 130 Ų | 130 | 160.5 Ų | 160.5 | 68% | 0.681 | 80% | 0.795 | S | S | * | * | trans | -77.7 | 99.2 | 160.2 | -116.9 | 92.2 | 0 | 0 | 0 | 108 | I17 F21 | I17-L19 HydrophobicContact CG2-CD1 3.79Å; I17-L19 PolarHBondContact O-N 3.01Å; L19-F21 HydrophobicContact CD2-CD2 4.24Å; L19-F21 HydrophobicContact CD2-CE2 3.65Å; L19-F21 HydrophobicContact CD2-CZ 4.36Å; L19-F21 PolarHBondContact O-N 3.45Å | ||
| 20 | A | 32.7 | Very low | 35.4 | Very low | 94 Ų | 94 | 154.3 Ų | 154.3 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -78.5 | 98.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | R18 R22 | R18-A20 PolarHBondContact O-N 3.21Å; A20-R22 PolarHBondContact O-N 2.95Å | ||
| 21 | F | 33.3 | Very low | 35.9 | Very low | 173 Ų | 173 | 150.8 Ų | 150.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -76.5 | 101.9 | 162.4 | -90.7 | -83.6 | 0 | 0 | 0 | 108.4 | L19 L23 | L19-F21 HydrophobicContact CD2-CD2 4.24Å; L19-F21 HydrophobicContact CD2-CE2 3.65Å; L19-F21 HydrophobicContact CD2-CZ 4.36Å; L19-F21 PolarHBondContact O-N 3.45Å; F21-L23 PolarHBondContact O-N 3.11Å; F21-L23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | R | 32.3 | Very low | 36.6 | Very low | 237 Ų | 237 | 153.9 Ų | 153.9 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -66.1 | 103.1 | 162.6 | -92.6 | -176.7 | 172.9 | -174.1 | -1.6 | 107.8 | A20 V24 | A20-R22 PolarHBondContact O-N 2.95Å; R22-V24 PolarHBondContact O-N 3.05Å | ||
| 23 | L | 35.1 | Very low | 37.4 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -67 | 110.6 | 161.6 | -95.8 | 132.1 | 0 | 0 | 0 | 108.5 | F21 | F21-L23 PolarHBondContact O-N 3.11Å; F21-L23 VanDerWaalsContact O-N 3.13Å | ||
| 24 | V | 36.2 | Very low | 38.1 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -86.7 | 108.5 | 165.1 | 175.7 | 0 | 0 | 0 | 0 | 107 | R22 | R22-V24 PolarHBondContact O-N 3.05Š| ||
| 25 | S | 36.7 | Very low | 39.2 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -62.5 | 143.1 | 160.3 | -64.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 26 | C | 30.1 | Very low | 40.1 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | cis | -177.7 | -171.9 | 33.1 | -120.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 27 | P | 53.2 | Low | 41.4 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | cis | -136.4 | 173.2 | -29.3 | 34.1 | -14.1 | 0 | 0 | 0 | 115.2 | ||||
| 28 | R | 33.5 | Very low | 42.8 | Very low | 233 Ų | 233 | 139.9 Ų | 139.9 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | 94.9 | 88.9 | 146.8 | -119.9 | 168.5 | -170.8 | 164.8 | 1.5 | 120.5 | ||||
| 29 | F | 33.5 | Very low | 44.3 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 85% | 0.851 | 71% | 0.708 | S | S | * | * | trans | 7.1 | 153.2 | 144.7 | -75.7 | -80.3 | 0 | 0 | 0 | 121.8 | ||||
| 30 | P | 43.1 | Very low | 45.8 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | cis | -136.9 | 133.5 | 40.9 | 42 | -23.5 | 0 | 0 | 0 | 116.5 | ||||
| 31 | S | 44.6 | Very low | 47.4 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | 94.5 | 96.4 | 98.5 | 72.7 | 0 | 0 | 0 | 0 | 116.1 | L33 | S31-L33 PolarHBondContact O-N 2.79Å; S31-L33 VanDerWaalsContact O-N 3.16Å | |||
| 32 | E | 50 | Low | 48.8 | Very low | 167 Ų | 167 | 125.9 Ų | 125.9 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 75.3 | -19.4 | 141.6 | -62.4 | -171.7 | 162.1 | 0 | 0 | 122.1 | ||
| 33 | L | 47.3 | Very low | 50.2 | Low | 144 Ų | 144 | 118.3 Ų | 118.3 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -89.4 | -27.5 | 173.8 | -104 | 94.8 | 0 | 0 | 0 | 114.6 | S31 | S31-L33 PolarHBondContact O-N 2.79Å; S31-L33 VanDerWaalsContact O-N 3.16Å |
| 34 | Q | 51.6 | Low | 51.6 | Low | 145 Ų | 145 | 116.1 Ų | 116.1 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -83.4 | -25 | -177.8 | -83.5 | 160.6 | -4.5 | 0 | 0 | 113.4 | D37 I38 | Q34-D37 PolarHBondContact O-N 3.07Å; Q34-I38 WeakPolarHBondContact O-CB 3.38Å; Q34-I38 WeakPolarHBondContact O-CD1 3.46Å; Q34-I38 WeakPolarHBondContact O-CG1 3.25Å; Q34-I38 PolarHBondContact O-N 3.25Å |
| 35 | D | 54.4 | Low | 52.7 | Low | 113 Ų | 113 | 114.6 Ų | 114.6 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.6 | -34.1 | 179.7 | -68.7 | -34 | 0 | 0 | 0 | 112.1 | A39 | D35-A39 WeakPolarHBondContact O-CB 3.3Å; D35-A39 PolarHBondContact O-N 3.41Å |
| 36 | A | 58.7 | Low | 53.8 | Low | 63 Ų | 63 | 112.1 Ų | 112.1 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.9 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A39 L40 | A36-A39 PolarHBondContact O-N 3.01Å; A36-L40 WeakPolarHBondContact O-CB 3.33Å; A36-L40 PolarHBondContact O-N 3.43Å |
| 37 | D | 61.9 | Low | 55.1 | Low | 106 Ų | 106 | 109.2 Ų | 109.2 | 57% | 0.567 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.4 | -39.1 | 177.4 | -77.8 | -24.9 | 0 | 0 | 0 | 112.1 | Q34 H41 | Q34-D37 PolarHBondContact O-N 3.07Å; D37-H41 WeakPolarHBondContact O-CB 3.47Å; D37-H41 PolarHBondContact O-N 3.34Å |
| 38 | I | 63 | Low | 55.4 | Low | 99 Ų | 99 | 108.9 Ų | 108.9 | 51% | 0.508 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.8 | -42.6 | 174.7 | -67.1 | 165 | 0 | 0 | 0 | 110.6 | Q34 L40 H41 C42 | Q34-I38 WeakPolarHBondContact O-CB 3.38Å; Q34-I38 WeakPolarHBondContact O-CD1 3.46Å; Q34-I38 WeakPolarHBondContact O-CG1 3.25Å; Q34-I38 PolarHBondContact O-N 3.25Å; I38-L40 VanDerWaalsContact C-N 3.35Å; I38-L40 PolarHBondContact O-N 3.07Å; I38-H41 PolarHBondContact O-N 3.35Å; I38-C42 VanDerWaalsContact O-CB 3.27Å; I38-C42 WeakPolarHBondContact O-CB 3.22Å; I38-C42 PolarHBondContact O-N 3.24Å; I38-C42 PolarHBondContact O-SG 3.07Å; I38-C42 VanDerWaalsContact O-SG 3.34Å |
| 39 | A | 64 | Low | 56.5 | Low | 53 Ų | 53 | 102.2 Ų | 102.2 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.6 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D35 A36 S43 | D35-A39 WeakPolarHBondContact O-CB 3.3Å; D35-A39 PolarHBondContact O-N 3.41Å; A36-A39 PolarHBondContact O-N 3.01Å; A39-S43 VanDerWaalsContact O-CB 3.23Å; A39-S43 WeakPolarHBondContact O-CB 3.46Å; A39-S43 PolarHBondContact O-N 3.29Å; A39-S43 PolarHBondContact O-OG 3.42Å |
| 40 | L | 67.2 | Low | 57.7 | Low | 86 Ų | 86 | 98 Ų | 98 | 45% | 0.45 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.5 | -40.2 | 174.6 | -176.1 | 63.8 | 0 | 0 | 0 | 111.2 | A36 I38 S43 K44 | A36-L40 WeakPolarHBondContact O-CB 3.33Å; A36-L40 PolarHBondContact O-N 3.43Å; I38-L40 VanDerWaalsContact C-N 3.35Å; I38-L40 PolarHBondContact O-N 3.07Å; L40-S43 PolarHBondContact O-N 3.03Å; L40-K44 HydrophobicContact CG-CD 4.18Å; L40-K44 VanDerWaalsContact O-CB 3.29Å; L40-K44 WeakPolarHBondContact O-CB 3.43Å; L40-K44 WeakPolarHBondContact O-CG 3.49Å; L40-K44 PolarHBondContact O-N 3.03Å |
| 41 | H | 66.6 | Low | 58.4 | Low | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 176.3 | -170.8 | -166.5 | 0 | 0 | 0 | 111.7 | D37 I38 K44 M45 | D37-H41 WeakPolarHBondContact O-CB 3.47Å; D37-H41 PolarHBondContact O-N 3.34Å; I38-H41 PolarHBondContact O-N 3.35Å; H41-K44 PolarHBondContact O-N 3.33Å; H41-M45 WeakPolarHBondContact NE2-CE 3.48Å; H41-M45 WeakPolarHBondContact O-CB 3.35Å; H41-M45 WeakPolarHBondContact O-CG 3.31Å; H41-M45 PolarHBondContact O-N 3.29Å |
| 42 | C | 60.9 | Low | 59.1 | Low | 76 Ų | 76 | 97.3 Ų | 97.3 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 173.1 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | I38 A46 | I38-C42 VanDerWaalsContact O-CB 3.27Å; I38-C42 WeakPolarHBondContact O-CB 3.22Å; I38-C42 PolarHBondContact O-N 3.24Å; I38-C42 PolarHBondContact O-SG 3.07Å; I38-C42 VanDerWaalsContact O-SG 3.34Å; C42-A46 VanDerWaalsContact O-CB 3.23Å; C42-A46 WeakPolarHBondContact O-CB 3.25Å; C42-A46 PolarHBondContact O-N 3.07Å |
| 43 | S | 61.9 | Low | 59.6 | Low | 77 Ų | 77 | 94.2 Ų | 94.2 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 175.2 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | A39 L40 A46 A47 | A39-S43 VanDerWaalsContact O-CB 3.23Å; A39-S43 WeakPolarHBondContact O-CB 3.46Å; A39-S43 PolarHBondContact O-N 3.29Å; A39-S43 PolarHBondContact O-OG 3.42Å; L40-S43 PolarHBondContact O-N 3.03Å; S43-A46 PolarHBondContact O-N 3.37Å; S43-A47 WeakPolarHBondContact O-CB 3.07Å; S43-A47 PolarHBondContact O-N 3.07Å |
| 44 | K | 64.6 | Low | 60.3 | Low | 121 Ų | 121 | 93.5 Ų | 93.5 | 53% | 0.526 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 172.7 | -77 | 170.2 | 179.9 | 172.8 | 0 | 111.4 | L40 H41 A47 V48 | L40-K44 HydrophobicContact CG-CD 4.18Å; L40-K44 VanDerWaalsContact O-CB 3.29Å; L40-K44 WeakPolarHBondContact O-CB 3.43Å; L40-K44 WeakPolarHBondContact O-CG 3.49Å; L40-K44 PolarHBondContact O-N 3.03Å; H41-K44 PolarHBondContact O-N 3.33Å; K44-A47 PolarHBondContact O-N 3.45Å; K44-V48 VanDerWaalsContact O-CB 3.3Å; K44-V48 WeakPolarHBondContact O-CB 3.24Å; K44-V48 WeakPolarHBondContact O-CG2 3.41Å; K44-V48 PolarHBondContact O-N 3.06Å |
| 45 | M | 60.4 | Low | 60.8 | Low | 100 Ų | 100 | 89.2 Ų | 89.2 | 49% | 0.493 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.9 | -73.5 | -104.3 | -167.1 | 0 | 0 | 111.3 | H41 V48 I49 | H41-M45 WeakPolarHBondContact NE2-CE 3.48Å; H41-M45 WeakPolarHBondContact O-CB 3.35Å; H41-M45 WeakPolarHBondContact O-CG 3.31Å; H41-M45 PolarHBondContact O-N 3.29Å; M45-V48 PolarHBondContact O-N 3.34Å; M45-I49 WeakPolarHBondContact O-CB 3.19Å; M45-I49 WeakPolarHBondContact O-CD1 3.32Å; M45-I49 WeakPolarHBondContact O-CG1 3.25Å; M45-I49 PolarHBondContact O-N 3.4Å |
| 46 | A | 58.3 | Low | 61.3 | Low | 50 Ų | 50 | 89.4 Ų | 89.4 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C42 S43 I49 Q50 | C42-A46 VanDerWaalsContact O-CB 3.23Å; C42-A46 WeakPolarHBondContact O-CB 3.25Å; C42-A46 PolarHBondContact O-N 3.07Å; S43-A46 PolarHBondContact O-N 3.37Å; A46-I49 PolarHBondContact O-N 3.29Å; A46-Q50 WeakPolarHBondContact O-CB 3.28Å; A46-Q50 WeakPolarHBondContact O-CG 3.29Å; A46-Q50 PolarHBondContact O-N 3.1Å |
| 47 | A | 58.3 | Low | 62.2 | Low | 55 Ų | 55 | 88.2 Ų | 88.2 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S43 K44 I49 Q50 N51 | S43-A47 WeakPolarHBondContact O-CB 3.07Å; S43-A47 PolarHBondContact O-N 3.07Å; K44-A47 PolarHBondContact O-N 3.45Å; A47-I49 VanDerWaalsContact C-N 3.29Å; A47-I49 PolarHBondContact O-N 3.21Å; A47-Q50 PolarHBondContact O-N 3.26Å; A47-N51 WeakPolarHBondContact O-CB 3.05Å; A47-N51 PolarHBondContact O-N 2.95Å |
| 48 | V | 58.8 | Low | 63.3 | Low | 104 Ų | 104 | 87.9 Ų | 87.9 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -27.9 | 176.2 | 168 | 0 | 0 | 0 | 0 | 112.2 | K44 M45 P52 | K44-V48 VanDerWaalsContact O-CB 3.3Å; K44-V48 WeakPolarHBondContact O-CB 3.24Å; K44-V48 WeakPolarHBondContact O-CG2 3.41Å; K44-V48 PolarHBondContact O-N 3.06Å; M45-V48 PolarHBondContact O-N 3.34Å; V48-P52 WeakPolarHBondContact O-CD 3.24Å; V48-P52 WeakPolarHBondContact O-CG 3.14Å |
| 49 | I | 58 | Low | 64.6 | Low | 93 Ų | 93 | 87.7 Ų | 87.7 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -90.1 | -33.2 | 177 | -65.2 | 165 | 0 | 0 | 0 | 111.7 | M45 A46 A47 P52 L53 | M45-I49 WeakPolarHBondContact O-CB 3.19Å; M45-I49 WeakPolarHBondContact O-CD1 3.32Å; M45-I49 WeakPolarHBondContact O-CG1 3.25Å; M45-I49 PolarHBondContact O-N 3.4Å; A46-I49 PolarHBondContact O-N 3.29Å; A47-I49 VanDerWaalsContact C-N 3.29Å; A47-I49 PolarHBondContact O-N 3.21Å; I49-P52 WeakPolarHBondContact O-CD 3.49Å; I49-P52 WeakPolarHBondContact O-CG 3.45Å; I49-L53 HydrophobicContact CG2-CD1 4.06Å; I49-L53 WeakPolarHBondContact O-CD1 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.29Å |
| 50 | Q | 57.2 | Low | 65.9 | Low | 104 Ų | 104 | 92.7 Ų | 92.7 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.2 | -31.1 | 178.3 | -70.3 | -74.2 | -37.4 | 0 | 0 | 112.8 | A46 A47 K54 | A46-Q50 WeakPolarHBondContact O-CB 3.28Å; A46-Q50 WeakPolarHBondContact O-CG 3.29Å; A46-Q50 PolarHBondContact O-N 3.1Å; A47-Q50 PolarHBondContact O-N 3.26Å; Q50-K54 WeakPolarHBondContact O-CB 3.4Å; Q50-K54 WeakPolarHBondContact O-CG 3.11Å; Q50-K54 PolarHBondContact O-N 3.02Å |
| 51 | N | 59.3 | Low | 67.2 | Low | 116 Ų | 116 | 95.9 Ų | 95.9 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -51.2 | 175.4 | -105.8 | -12.7 | 0 | 0 | 0 | 114.3 | A47 L53 K54 A55 | A47-N51 WeakPolarHBondContact O-CB 3.05Å; A47-N51 PolarHBondContact O-N 2.95Å; N51-L53 PolarHBondContact O-N 3.23Å; N51-K54 PolarHBondContact O-N 2.89Å; N51-A55 VanDerWaalsContact O-CB 3.27Å; N51-A55 WeakPolarHBondContact O-CB 3.25Å; N51-A55 PolarHBondContact O-N 3.29Å |
| 52 | P | 59.4 | Low | 68.4 | Low | 62 Ų | 62 | 96.3 Ų | 96.3 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.7 | -33.9 | 178.9 | 25 | -33.1 | 0 | 0 | 0 | 111.8 | V48 I49 A55 L56 | V48-P52 WeakPolarHBondContact O-CD 3.24Å; V48-P52 WeakPolarHBondContact O-CG 3.14Å; I49-P52 WeakPolarHBondContact O-CD 3.49Å; I49-P52 WeakPolarHBondContact O-CG 3.45Å; P52-A55 PolarHBondContact O-N 3.48Å; P52-L56 WeakPolarHBondContact O-CB 3.46Å; P52-L56 WeakPolarHBondContact O-CD1 3.35Å; P52-L56 WeakPolarHBondContact O-CG 3.24Å; P52-L56 PolarHBondContact O-N 2.91Å |
| 53 | L | 59.2 | Low | 70 | Confident | 101 Ų | 101 | 95.7 Ų | 95.7 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 177 | -69.1 | 174.8 | 0 | 0 | 0 | 112.8 | I49 N51 L56 G57 | I49-L53 HydrophobicContact CG2-CD1 4.06Å; I49-L53 WeakPolarHBondContact O-CD1 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.29Å; N51-L53 PolarHBondContact O-N 3.23Å; L53-L56 HydrophobicContact CD2-CD1 4.34Å; L53-G57 PolarHBondContact O-N 3.31Å |
| 54 | K | 62 | Low | 71.6 | Confident | 130 Ų | 130 | 93.5 Ų | 93.5 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.5 | -42.9 | 170.4 | -73.5 | 179.1 | -178.6 | -177.8 | 0 | 111.6 | Q50 N51 L56 G57 D58 | Q50-K54 WeakPolarHBondContact O-CB 3.4Å; Q50-K54 WeakPolarHBondContact O-CG 3.11Å; Q50-K54 PolarHBondContact O-N 3.02Å; N51-K54 PolarHBondContact O-N 2.89Å; K54-L56 VanDerWaalsContact C-N 3.28Å; K54-L56 PolarHBondContact O-N 2.94Å; K54-G57 PolarHBondContact O-N 3.31Å; K54-G57 VanDerWaalsContact O-N 3.14Å; K54-D58 WeakPolarHBondContact O-CB 3.04Å; K54-D58 PolarHBondContact O-N 3.43Å |
| 55 | A | 63.1 | Low | 73.1 | Confident | 55 Ų | 55 | 90.4 Ų | 90.4 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -34.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N51 P52 Q59 | N51-A55 VanDerWaalsContact O-CB 3.27Å; N51-A55 WeakPolarHBondContact O-CB 3.25Å; N51-A55 PolarHBondContact O-N 3.29Å; P52-A55 PolarHBondContact O-N 3.48Å; A55-Q59 VanDerWaalsContact O-CB 3.31Å; A55-Q59 WeakPolarHBondContact O-CB 3.15Å; A55-Q59 PolarHBondContact O-N 3.34Å |
| 56 | L | 65.3 | Low | 74.8 | Confident | 117 Ų | 117 | 90.8 Ų | 90.8 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.9 | -40.2 | 173.6 | -75.4 | 166.3 | 0 | 0 | 0 | 112.1 | P52 L53 K54 F60 | P52-L56 WeakPolarHBondContact O-CB 3.46Å; P52-L56 WeakPolarHBondContact O-CD1 3.35Å; P52-L56 WeakPolarHBondContact O-CG 3.24Å; P52-L56 PolarHBondContact O-N 2.91Å; L53-L56 HydrophobicContact CD2-CD1 4.34Å; K54-L56 VanDerWaalsContact C-N 3.28Å; K54-L56 PolarHBondContact O-N 2.94Å; L56-F60 WeakPolarHBondContact O-CB 3.41Å; L56-F60 PolarHBondContact O-N 3.4Å |
| 57 | G | 77.6 | Confident | 76.6 | Confident | 38 Ų | 38 | 95 Ų | 95 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L53 K54 F60 Y61 | L53-G57 PolarHBondContact O-N 3.31Å; K54-G57 PolarHBondContact O-N 3.31Å; K54-G57 VanDerWaalsContact O-N 3.14Å; G57-F60 PolarHBondContact O-N 3.44Å; G57-Y61 WeakPolarHBondContact O-CB 3.08Å; G57-Y61 PolarHBondContact O-N 3.2Å |
| 58 | D | 85.3 | Confident | 78.4 | Confident | 99 Ų | 99 | 96 Ų | 96 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 175.7 | -71.4 | -13.8 | 0 | 0 | 0 | 111.3 | K54 Y61 K62 | K54-D58 WeakPolarHBondContact O-CB 3.04Å; K54-D58 PolarHBondContact O-N 3.43Å; D58-Y61 PolarHBondContact O-N 3.47Å; D58-K62 WeakPolarHBondContact O-CB 3.48Å; D58-K62 VanDerWaalsContact O-CG 3.27Å; D58-K62 WeakPolarHBondContact O-CG 3.37Å; D58-K62 PolarHBondContact O-N 3.17Å |
| 59 | Q | 88.3 | Confident | 80.2 | Confident | 94 Ų | 94 | 99.2 Ų | 99.2 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 174.1 | -168.7 | 59.9 | 48.2 | 0 | 0 | 111.1 | A55 Y61 K62 D63 | A55-Q59 VanDerWaalsContact O-CB 3.31Å; A55-Q59 WeakPolarHBondContact O-CB 3.15Å; A55-Q59 PolarHBondContact O-N 3.34Å; Q59-Y61 VanDerWaalsContact C-N 3.28Å; Q59-Y61 PolarHBondContact O-N 3.05Å; Q59-K62 PolarHBondContact O-N 3.04Å; Q59-D63 PolarHBondContact NE2-OD1 2.92Å; Q59-D63 PolarHBondContact O-N 2.81Å |
| 60 | F | 92.4 | Very high | 81.9 | Confident | 159 Ų | 159 | 98.1 Ų | 98.1 | 70% | 0.697 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.3 | -40.3 | 174.6 | 177.2 | -95.5 | 0 | 0 | 0 | 112.4 | L56 G57 A64 | L56-F60 WeakPolarHBondContact O-CB 3.41Å; L56-F60 PolarHBondContact O-N 3.4Å; G57-F60 PolarHBondContact O-N 3.44Å; F60-A64 VanDerWaalsContact O-CB 3.31Å; F60-A64 WeakPolarHBondContact O-CB 3.45Å; F60-A64 PolarHBondContact O-N 3.11Å |
| 61 | Y | 93.7 | Very high | 83.8 | Confident | 153 Ų | 153 | 99.2 Ų | 99.2 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.6 | -39.4 | 177.8 | -175.3 | -106.9 | 0 | 0 | 0 | 112.5 | G57 D58 Q59 A64 I65 | G57-Y61 WeakPolarHBondContact O-CB 3.08Å; G57-Y61 PolarHBondContact O-N 3.2Å; D58-Y61 PolarHBondContact O-N 3.47Å; Q59-Y61 VanDerWaalsContact C-N 3.28Å; Q59-Y61 PolarHBondContact O-N 3.05Å; Y61-A64 PolarHBondContact O-N 2.9Å; Y61-I65 HydrophobicContact CD1-CD1 3.8Å; Y61-I65 HydrophobicContact CE1-CD1 3.26Å; Y61-I65 HydrophobicContact CE1-CG1 4.22Å; Y61-I65 HydrophobicContact CE2-CD1 4.37Å; Y61-I65 WeakPolarHBondContact O-CG1 3.29Å; Y61-I65 PolarHBondContact O-N 3.12Å |
| 62 | K | 93.6 | Very high | 85.6 | Confident | 118 Ų | 118 | 98 Ų | 98 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -49.8 | 172.7 | -75.6 | 173.7 | -177.7 | 179.6 | 0 | 111.1 | D58 Q59 A64 I65 E66 | D58-K62 WeakPolarHBondContact O-CB 3.48Å; D58-K62 VanDerWaalsContact O-CG 3.27Å; D58-K62 WeakPolarHBondContact O-CG 3.37Å; D58-K62 PolarHBondContact O-N 3.17Å; Q59-K62 PolarHBondContact O-N 3.04Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 2.92Å; K62-I65 PolarHBondContact O-N 2.91Å; K62-I65 VanDerWaalsContact O-N 3.12Å; K62-E66 WeakPolarHBondContact O-CG 3.36Å; K62-E66 PolarHBondContact O-N 2.94Å |
| 63 | D | 93.3 | Very high | 87.3 | Confident | 64 Ų | 64 | 97 Ų | 97 | 34% | 0.342 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 178.4 | -63.6 | -5.8 | 0 | 0 | 0 | 110.7 | Q59 E66 Q67 | Q59-D63 PolarHBondContact NE2-OD1 2.92Å; Q59-D63 PolarHBondContact O-N 2.81Å; D63-E66 PolarHBondContact O-N 2.78Å; D63-Q67 WeakPolarHBondContact O-CB 3.41Å; D63-Q67 VanDerWaalsContact O-CG 3.28Å; D63-Q67 WeakPolarHBondContact O-CG 3.37Å; D63-Q67 PolarHBondContact O-N 2.96Å |
| 64 | A | 95.7 | Very high | 89 | Confident | 31 Ų | 31 | 95.5 Ų | 95.5 | 26% | 0.256 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F60 Y61 K62 C68 | F60-A64 VanDerWaalsContact O-CB 3.31Å; F60-A64 WeakPolarHBondContact O-CB 3.45Å; F60-A64 PolarHBondContact O-N 3.11Å; Y61-A64 PolarHBondContact O-N 2.9Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 2.92Å; A64-C68 WeakPolarHBondContact O-CB 3.44Å; A64-C68 PolarHBondContact O-N 3.1Å; A64-C68 PolarHBondContact O-SG 2.97Å |
| 65 | I | 96.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 93.1 Ų | 93.1 | 29% | 0.287 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 174.3 | -72.7 | 174.4 | 0 | 0 | 0 | 110.5 | Y61 K62 C68 R69 | Y61-I65 HydrophobicContact CD1-CD1 3.8Å; Y61-I65 HydrophobicContact CE1-CD1 3.26Å; Y61-I65 HydrophobicContact CE1-CG1 4.22Å; Y61-I65 HydrophobicContact CE2-CD1 4.37Å; Y61-I65 WeakPolarHBondContact O-CG1 3.29Å; Y61-I65 PolarHBondContact O-N 3.12Å; K62-I65 PolarHBondContact O-N 2.91Å; K62-I65 VanDerWaalsContact O-N 3.12Å; I65-C68 WeakPolarHBondContact O-CB 3.25Å; I65-C68 PolarHBondContact O-N 2.93Å; I65-R69 HydrophobicContact CG2-CG 4.39Å; I65-R69 WeakPolarHBondContact O-CG 3.34Å; I65-R69 PolarHBondContact O-N 3.37Å |
| 66 | E | 95.1 | Very high | 92.1 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 178.6 | -74.1 | 177.4 | -168.9 | 0 | 0 | 111.2 | K62 D63 C68 R69 S70 | K62-E66 WeakPolarHBondContact O-CG 3.36Å; K62-E66 PolarHBondContact O-N 2.94Å; D63-E66 PolarHBondContact O-N 2.78Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 2.94Å; E66-R69 WeakPolarHBondContact O-CB 3.38Å; E66-R69 PolarHBondContact O-N 3.08Å; E66-R69 VanDerWaalsContact O-N 3.11Å; E66-S70 PolarHBondContact O-N 3.45Å; E66-S70 PolarHBondContact O-OG 3.42Å |
| 67 | Q | 96.3 | Very high | 93.4 | Very high | 139 Ų | 139 | 89.4 Ų | 89.4 | 65% | 0.65 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.1 | -42.1 | 172.1 | -72.5 | 173.8 | 9.6 | 0 | 0 | 112.1 | D63 R69 S70 Y71 | D63-Q67 WeakPolarHBondContact O-CB 3.41Å; D63-Q67 VanDerWaalsContact O-CG 3.28Å; D63-Q67 WeakPolarHBondContact O-CG 3.37Å; D63-Q67 PolarHBondContact O-N 2.96Å; Q67-R69 VanDerWaalsContact C-N 3.35Å; Q67-R69 PolarHBondContact O-N 3.34Å; Q67-S70 PolarHBondContact O-N 3.45Å; Q67-Y71 WeakPolarHBondContact O-CB 3.03Å; Q67-Y71 PolarHBondContact O-N 3.33Å |
| 68 | C | 97.2 | Very high | 94.2 | Very high | 76 Ų | 76 | 90.6 Ų | 90.6 | 51% | 0.514 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 175.7 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | A64 I65 E66 N72 | A64-C68 WeakPolarHBondContact O-CB 3.44Å; A64-C68 PolarHBondContact O-N 3.1Å; A64-C68 PolarHBondContact O-SG 2.97Å; I65-C68 WeakPolarHBondContact O-CB 3.25Å; I65-C68 PolarHBondContact O-N 2.93Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 2.94Å; C68-N72 WeakPolarHBondContact O-CB 3.3Å; C68-N72 PolarHBondContact O-N 2.97Å; C68-N72 PolarHBondContact O-ND2 3.31Å |
| 69 | R | 95.8 | Very high | 94.6 | Very high | 171 Ų | 171 | 92.4 Ų | 92.4 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.2 | -46.8 | 175.8 | -72.9 | 172.2 | -179.2 | 176 | 1.2 | 111.1 | I65 E66 Q67 Y71 N72 A73 | I65-R69 HydrophobicContact CG2-CG 4.39Å; I65-R69 WeakPolarHBondContact O-CG 3.34Å; I65-R69 PolarHBondContact O-N 3.37Å; E66-R69 WeakPolarHBondContact O-CB 3.38Å; E66-R69 PolarHBondContact O-N 3.08Å; E66-R69 VanDerWaalsContact O-N 3.11Å; Q67-R69 VanDerWaalsContact C-N 3.35Å; Q67-R69 PolarHBondContact O-N 3.34Å; R69-Y71 PolarHBondContact O-N 3.33Å; R69-N72 PolarHBondContact O-N 3.46Å; R69-A73 WeakPolarHBondContact O-CB 3.18Å; R69-A73 PolarHBondContact O-N 2.75Å |
| 70 | S | 94.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 90 Ų | 90 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 177 | -62 | 0 | 0 | 0 | 0 | 111.8 | E66 Q67 A73 R74 | E66-S70 PolarHBondContact O-N 3.45Å; E66-S70 PolarHBondContact O-OG 3.42Å; Q67-S70 PolarHBondContact O-N 3.45Å; S70-A73 PolarHBondContact O-N 3.48Å; S70-R74 PolarHBondContact O-N 3.37Å |
| 71 | Y | 97.1 | Very high | 94.8 | Very high | 127 Ų | 127 | 86.8 Ų | 86.8 | 50% | 0.498 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 174 | 176.6 | -98.5 | 0 | 0 | 0 | 112.2 | Q67 R69 A73 R74 L75 | Q67-Y71 WeakPolarHBondContact O-CB 3.03Å; Q67-Y71 PolarHBondContact O-N 3.33Å; R69-Y71 PolarHBondContact O-N 3.33Å; Y71-A73 VanDerWaalsContact C-N 3.33Å; Y71-A73 PolarHBondContact O-N 2.74Å; Y71-R74 PolarHBondContact O-N 3.36Å; Y71-L75 HydrophobicContact CE1-CD2 4.34Å; Y71-L75 WeakPolarHBondContact O-CB 3.26Å; Y71-L75 PolarHBondContact O-N 3.49Å |
| 72 | N | 96.8 | Very high | 94.7 | Very high | 90 Ų | 90 | 87.2 Ų | 87.2 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 177.7 | -75.2 | -20.3 | 0 | 0 | 0 | 112.2 | C68 R69 L75 C76 | C68-N72 WeakPolarHBondContact O-CB 3.3Å; C68-N72 PolarHBondContact O-N 2.97Å; C68-N72 PolarHBondContact O-ND2 3.31Å; R69-N72 PolarHBondContact O-N 3.46Å; N72-L75 PolarHBondContact O-N 3.46Å; N72-C76 PolarHBondContact O-N 3.29Å; N72-C76 PolarHBondContact O-SG 3.29Å |
| 73 | A | 94.4 | Very high | 94.6 | Very high | 42 Ų | 42 | 84 Ų | 84 | 35% | 0.347 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | R69 S70 Y71 L75 C76 A77 | R69-A73 WeakPolarHBondContact O-CB 3.18Å; R69-A73 PolarHBondContact O-N 2.75Å; S70-A73 PolarHBondContact O-N 3.48Å; Y71-A73 VanDerWaalsContact C-N 3.33Å; Y71-A73 PolarHBondContact O-N 2.74Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 PolarHBondContact O-N 3.34Å; A73-C76 PolarHBondContact O-N 3.01Å; A73-A77 PolarHBondContact O-N 3.47Å |
| 74 | R | 94.7 | Very high | 94.7 | Very high | 68 Ų | 68 | 84.9 Ų | 84.9 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 174.7 | -163.1 | -169.6 | -59.5 | 125.8 | -6.8 | 112 | S70 Y71 C76 A77 E78 V189 D193 | S70-R74 PolarHBondContact O-N 3.37Å; Y71-R74 PolarHBondContact O-N 3.36Å; R74-C76 VanDerWaalsContact C-N 3.32Å; R74-C76 PolarHBondContact O-N 3.37Å; R74-A77 PolarHBondContact O-N 3.49Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 3.48Å; R74-V189 HydrophobicContact CB-CG1 3.99Å; R74-V189 HydrophobicContact CG-CG1 4.15Å; R74-D193 IonicContact CZ-OD1 2.8Å; R74-D193 IonicContact NE-OD1 3.27Å; R74-D193 PolarHBondContact NE-OD1 3.34Å; R74-D193 IonicContact NE-OD2 2.83Å; R74-D193 IonicContact NH2-OD1 3.68Å; R74-D193 PolarHBondContact NH2-OD1 3.41Å |
| 75 | L | 96 | Very high | 94.6 | Very high | 81 Ų | 81 | 89 Ų | 89 | 42% | 0.424 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 178.8 | -171.3 | 68.4 | 0 | 0 | 0 | 112.2 | Y71 N72 A73 R79 | Y71-L75 HydrophobicContact CE1-CD2 4.34Å; Y71-L75 WeakPolarHBondContact O-CB 3.26Å; Y71-L75 PolarHBondContact O-N 3.49Å; N72-L75 PolarHBondContact O-N 3.46Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 PolarHBondContact O-N 3.34Å; L75-R79 VanDerWaalsContact O-CB 3.24Å; L75-R79 WeakPolarHBondContact O-CB 3.49Å; L75-R79 PolarHBondContact O-N 2.83Å |
| 76 | C | 94.9 | Very high | 94.6 | Very high | 85 Ų | 85 | 92.2 Ų | 92.2 | 57% | 0.574 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.8 | -43.5 | 176.2 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | N72 A73 R74 R79 S80 | N72-C76 PolarHBondContact O-N 3.29Å; N72-C76 PolarHBondContact O-SG 3.29Å; A73-C76 PolarHBondContact O-N 3.01Å; R74-C76 VanDerWaalsContact C-N 3.32Å; R74-C76 PolarHBondContact O-N 3.37Å; C76-R79 PolarHBondContact O-N 2.89Å; C76-S80 PolarHBondContact O-N 3.41Å |
| 77 | A | 91.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 88.4 Ų | 88.4 | 7% | 0.066 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.7 | -53.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A73 R74 R79 S80 V81 I186 V189 | A73-A77 PolarHBondContact O-N 3.47Å; R74-A77 PolarHBondContact O-N 3.49Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.1Å; A77-S80 PolarHBondContact O-N 3.5Å; A77-S80 VanDerWaalsContact O-N 3.08Å; A77-S80 PolarHBondContact O-OG 3.33Å; A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.47Å; A77-V81 VanDerWaalsContact O-N 3.1Å; A77-I186 HydrophobicContact CB-CB 4.3Å; A77-I186 HydrophobicContact CB-CG1 3.84Å; A77-I186 HydrophobicContact CB-CG2 4.36Å; A77-V189 HydrophobicContact CB-CB 4.48Å; A77-V189 HydrophobicContact CB-CG1 4.32Å |
| 78 | E | 94.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 87.4 Ų | 87.4 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 177.9 | -71.5 | -174.2 | -161 | 0 | 0 | 113.2 | R74 S80 V81 R82 | R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 3.48Å; E78-S80 VanDerWaalsContact C-N 3.28Å; E78-S80 PolarHBondContact O-N 2.93Å; E78-V81 PolarHBondContact O-N 3.42Å; E78-R82 WeakPolarHBondContact O-CG 3.46Å; E78-R82 PolarHBondContact O-N 2.87Å; E78-R82 IonicContact OE2-CZ 3.31Å; E78-R82 VanDerWaalsContact OE2-CZ 3.27Å; E78-R82 IonicContact OE2-NH1 3.07Å; E78-R82 PolarHBondContact OE2-NH1 3.24Å; E78-R82 IonicContact OE2-NH2 3.36Å; E78-R82 PolarHBondContact OE2-NH2 3.39Å |
| 79 | R | 94.9 | Very high | 94.6 | Very high | 137 Ų | 137 | 92.3 Ų | 92.3 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 176.4 | -178.9 | -178 | -171.1 | -90 | -4.7 | 111.2 | L75 C76 A77 R82 L83 N96 | L75-R79 VanDerWaalsContact O-CB 3.24Å; L75-R79 WeakPolarHBondContact O-CB 3.49Å; L75-R79 PolarHBondContact O-N 2.83Å; C76-R79 PolarHBondContact O-N 2.89Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.1Å; R79-R82 PolarHBondContact O-N 2.93Å; R79-L83 WeakPolarHBondContact O-CG 3.24Å; R79-L83 PolarHBondContact O-N 2.95Å; R79-N96 VanDerWaalsContact CZ-OD1 3.29Å; R79-N96 PolarHBondContact NH1-OD1 3.39Å; R79-N96 PolarHBondContact NH2-OD1 2.85Å |
| 80 | S | 91.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 88.2 Ų | 88.2 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | -179.4 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | C76 A77 E78 R82 L83 I186 | C76-S80 PolarHBondContact O-N 3.41Å; A77-S80 PolarHBondContact O-N 3.5Å; A77-S80 VanDerWaalsContact O-N 3.08Å; A77-S80 PolarHBondContact O-OG 3.33Å; E78-S80 VanDerWaalsContact C-N 3.28Å; E78-S80 PolarHBondContact O-N 2.93Å; S80-R82 VanDerWaalsContact C-N 3.31Å; S80-R82 PolarHBondContact O-N 2.84Å; S80-L83 PolarHBondContact O-N 3.47Å; S80-I186 WeakPolarHBondContact OG-CD1 3.37Å |
| 81 | V | 91.7 | Very high | 94.6 | Very high | 91 Ų | 91 | 87.5 Ų | 87.5 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.1 | -30.2 | 177.6 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | A77 E78 I186 | A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.47Å; A77-V81 VanDerWaalsContact O-N 3.1Å; E78-V81 PolarHBondContact O-N 3.42Å; V81-I186 HydrophobicContact CG2-CD1 3.94Å; V81-I186 HydrophobicContact CG2-CG1 4.34Å; V81-I186 HydrophobicContact CG2-CG2 3.45Å; V81-I186 VanDerWaalsContact CG2-CG2 3.45Å |
| 82 | R | 93 | Very high | 94.6 | Very high | 162 Ų | 162 | 85.1 Ų | 85.1 | 61% | 0.611 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.7 | 179.7 | -68.2 | 179.9 | -172.5 | 117.9 | 4.6 | 113.9 | E78 R79 S80 | E78-R82 WeakPolarHBondContact O-CG 3.46Å; E78-R82 PolarHBondContact O-N 2.87Å; E78-R82 IonicContact OE2-CZ 3.31Å; E78-R82 VanDerWaalsContact OE2-CZ 3.27Å; E78-R82 IonicContact OE2-NH1 3.07Å; E78-R82 PolarHBondContact OE2-NH1 3.24Å; E78-R82 IonicContact OE2-NH2 3.36Å; E78-R82 PolarHBondContact OE2-NH2 3.39Å; R79-R82 PolarHBondContact O-N 2.93Å; S80-R82 VanDerWaalsContact C-N 3.31Å; S80-R82 PolarHBondContact O-N 2.84Å |
| 83 | L | 91.5 | Very high | 94.6 | Very high | 52 Ų | 52 | 83.8 Ų | 83.8 | 27% | 0.272 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 144.3 | 177.7 | -73 | 172.5 | 0 | 0 | 0 | 110.9 | R79 S80 | R79-L83 WeakPolarHBondContact O-CG 3.24Å; R79-L83 PolarHBondContact O-N 2.95Å; S80-L83 PolarHBondContact O-N 3.47Å |
| 84 | P | 94.6 | Very high | 94.6 | Very high | 82 Ų | 82 | 85.9 Ų | 85.9 | 53% | 0.532 | 47% | 0.469 | S | S | . | . | S | Bend | cis | -78.8 | 142.4 | -0.7 | 32.1 | -34.4 | 0 | 0 | 0 | 113.2 | A93 Q94 | P84-A93 HydrophobicContact CB-CB 4.22Å; P84-A93 HydrophobicContact CG-CB 4.5Å; P84-Q94 CarbonylContact C-O 3.53Å; P84-Q94 WeakPolarHBondContact CA-O 3.48Å |
| 85 | F | 94.1 | Very high | 94.7 | Very high | 117 Ų | 117 | 87.1 Ų | 87.1 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.6 | 177.4 | 173.5 | -103.2 | 0 | 0 | 0 | 110.8 | D87 A93 Q94 | F85-D87 HydrophobicContact CE1-CB 4.08Å; F85-A93 CarbonylContact O-C 3.48Å; F85-A93 WeakPolarHBondContact O-CA 3.17Å; F85-Q94 HydrophobicContact CB-CB 4.48Å; F85-Q94 HydrophobicContact CD1-CB 4.41Å; F85-Q94 PolarHBondContact N-O 2.9Å; F85-Q94 PolarHBondContact O-N 3.04Å |
| 86 | L | 96 | Very high | 94.6 | Very high | 124 Ų | 124 | 87.1 Ų | 87.1 | 65% | 0.649 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 107.4 | 179.2 | -169.3 | 66.6 | 0 | 0 | 0 | 110.8 | S88 A93 | L86-S88 PolarHBondContact O-N 2.87Å; L86-A93 HydrophobicContact CD1-CB 4.3Å |
| 87 | D | 95.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 86.3 Ų | 86.3 | 14% | 0.144 | 48% | 0.476 | C | S | . | . | trans | -77 | 115.9 | 176.8 | 174.9 | 13.9 | 0 | 0 | 0 | 111 | F85 Q89 T90 G91 V92 | F85-D87 HydrophobicContact CE1-CB 4.08Å; D87-Q89 VanDerWaalsContact C-N 3.29Å; D87-Q89 PolarHBondContact O-N 3.37Å; D87-Q89 PolarHBondContact OD1-N 2.87Å; D87-T90 WeakPolarHBondContact CB-OG1 3.43Å; D87-T90 VanDerWaalsContact CG-OG1 3.27Å; D87-T90 WeakPolarHBondContact OD2-CB 3.4Å; D87-T90 VanDerWaalsContact OD2-CG2 3.24Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.24Å; D87-T90 PolarHBondContact OD2-OG1 3.48Å; D87-G91 VanDerWaalsContact O-CA 3.25Å; D87-G91 WeakPolarHBondContact O-CA 3.5Å; D87-G91 PolarHBondContact O-N 3.43Å; D87-V92 PolarHBondContact N-O 3.37Å | ||
| 88 | S | 95.9 | Very high | 94.7 | Very high | 117 Ų | 117 | 92.5 Ų | 92.5 | 82% | 0.818 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.3 | -179.4 | 64 | 0 | 0 | 0 | 0 | 115 | L86 | L86-S88 PolarHBondContact O-N 2.87Š|
| 89 | Q | 97 | Very high | 94.7 | Very high | 180 Ų | 180 | 95.5 Ų | 95.5 | 84% | 0.841 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -39 | -176.3 | -65.4 | -177.1 | 9.1 | 0 | 0 | 111.9 | D87 | D87-Q89 VanDerWaalsContact C-N 3.29Å; D87-Q89 PolarHBondContact O-N 3.37Å; D87-Q89 PolarHBondContact OD1-N 2.87Å |
| 90 | T | 95.7 | Very high | 94.7 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -16.5 | -176.8 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | D87 V92 | D87-T90 WeakPolarHBondContact CB-OG1 3.43Å; D87-T90 VanDerWaalsContact CG-OG1 3.27Å; D87-T90 WeakPolarHBondContact OD2-CB 3.4Å; D87-T90 VanDerWaalsContact OD2-CG2 3.24Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.24Å; D87-T90 PolarHBondContact OD2-OG1 3.48Å; T90-V92 PolarHBondContact O-N 3.35Å; T90-V92 WeakPolarHBondContact OG1-CB 3.4Å; T90-V92 WeakPolarHBondContact OG1-CG2 3.37Å; T90-V92 PolarHBondContact OG1-N 3.1Å |
| 91 | G | 95.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 100.1 Ų | 100.1 | 58% | 0.577 | 53% | 0.53 | S | S | * | . | trans | 68.2 | 9.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D87 | D87-G91 VanDerWaalsContact O-CA 3.25Å; D87-G91 WeakPolarHBondContact O-CA 3.5Å; D87-G91 PolarHBondContact O-N 3.43Å | ||
| 92 | V | 96.7 | Very high | 95.2 | Very high | 76 Ų | 76 | 101.4 Ų | 101.4 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | trans | -83.1 | 126.5 | -178 | 178 | 0 | 0 | 0 | 0 | 109.6 | D87 T90 Q94 | D87-V92 PolarHBondContact N-O 3.37Å; T90-V92 PolarHBondContact O-N 3.35Å; T90-V92 WeakPolarHBondContact OG1-CB 3.4Å; T90-V92 WeakPolarHBondContact OG1-CG2 3.37Å; T90-V92 PolarHBondContact OG1-N 3.1Å; V92-Q94 HydrophobicContact CB-CG 4.42Å; V92-Q94 HydrophobicContact CG1-CG 4Å; V92-Q94 PolarHBondContact O-N 3.39Å | ||
| 93 | A | 96.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 103.7 Ų | 103.7 | 51% | 0.512 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 97 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | P84 F85 L86 | P84-A93 HydrophobicContact CB-CB 4.22Å; P84-A93 HydrophobicContact CG-CB 4.5Å; F85-A93 CarbonylContact O-C 3.48Å; F85-A93 WeakPolarHBondContact O-CA 3.17Å; L86-A93 HydrophobicContact CD1-CB 4.3Å |
| 94 | Q | 94.8 | Very high | 95.6 | Very high | 87 Ų | 87 | 107.5 Ų | 107.5 | 41% | 0.407 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 139.7 | -177.2 | -61.9 | -178.1 | -10 | 0 | 0 | 111.1 | P84 F85 V92 | P84-Q94 CarbonylContact C-O 3.53Å; P84-Q94 WeakPolarHBondContact CA-O 3.48Å; F85-Q94 HydrophobicContact CB-CB 4.48Å; F85-Q94 HydrophobicContact CD1-CB 4.41Å; F85-Q94 PolarHBondContact N-O 2.9Å; F85-Q94 PolarHBondContact O-N 3.04Å; V92-Q94 HydrophobicContact CB-CG 4.42Å; V92-Q94 HydrophobicContact CG1-CG 4Å; V92-Q94 PolarHBondContact O-N 3.39Å |
| 95 | N | 94.8 | Very high | 95.7 | Very high | 94 Ų | 94 | 106.8 Ų | 106.8 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | trans | -129.1 | -170.1 | 170.6 | -155.5 | -34.4 | 0 | 0 | 0 | 108.4 | C97 | N95-C97 PolarHBondContact O-N 3.49Š| ||
| 96 | N | 95.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 106.1 Ų | 106.1 | 43% | 0.428 | 54% | 0.538 | S | S | . | . | trans | -50.4 | 126.1 | 170.9 | -63.4 | -37.9 | 0 | 0 | 0 | 110.2 | R79 | R79-N96 VanDerWaalsContact CZ-OD1 3.29Å; R79-N96 PolarHBondContact NH1-OD1 3.39Å; R79-N96 PolarHBondContact NH2-OD1 2.85Å | ||
| 97 | C | 93 | Very high | 95.9 | Very high | 68 Ų | 68 | 102.9 Ų | 102.9 | 46% | 0.459 | 53% | 0.526 | S | S | . | . | trans | -119 | 153.7 | 177.1 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | N95 I99 | N95-C97 PolarHBondContact O-N 3.49Å; C97-I99 HydrophobicContact CB-CG1 4.39Å; C97-I99 HydrophobicContact CB-CG2 4.5Å | ||
| 98 | Y | 94.9 | Very high | 96 | Very high | 138 Ų | 138 | 106.7 Ų | 106.7 | 54% | 0.541 | 55% | 0.552 | S | S | . | * | trans | -116.1 | 30.5 | -179.2 | -55 | -84.4 | 0 | 0 | 0 | 111 | W100 R121 | Y98-W100 VanDerWaalsContact C-N 3.34Å; Y98-R121 VanDerWaalsContact CE2-CZ 3.47Å | ||
| 99 | I | 94.6 | Very high | 96.1 | Very high | 126 Ų | 126 | 102.5 Ų | 102.5 | 65% | 0.646 | 53% | 0.527 | S | S | * | . | trans | -79.4 | -23.3 | -179.8 | 63.3 | 178.5 | 0 | 0 | 0 | 111.9 | C97 M101 | C97-I99 HydrophobicContact CB-CG1 4.39Å; C97-I99 HydrophobicContact CB-CG2 4.5Å; I99-M101 PolarHBondContact O-N 3.27Å | ||
| 100 | W | 95.9 | Very high | 96 | Very high | 213 Ų | 213 | 100 Ų | 100 | 81% | 0.807 | 52% | 0.523 | S | S | * | . | trans | -84.4 | 107.5 | 179.1 | -57.5 | 108.4 | 0 | 0 | 0 | 108.8 | Y98 | Y98-W100 VanDerWaalsContact C-N 3.34Š| ||
| 101 | M | 96.6 | Very high | 96 | Very high | 66 Ų | 66 | 98.8 Ų | 98.8 | 33% | 0.325 | 52% | 0.522 | S | S | . | . | trans | -119.3 | 135.4 | -179.8 | -63.6 | -66.9 | -95.2 | 0 | 0 | 110.1 | I99 H105 Y118 P119 | I99-M101 PolarHBondContact O-N 3.27Å; M101-H105 HydrophobicContact CE-CB 4.18Å; M101-Y118 HydrophobicContact CB-CD1 3.53Å; M101-Y118 HydrophobicContact CB-CE1 3.65Å; M101-Y118 HydrophobicContact CB-CG 4.41Å; M101-Y118 HydrophobicContact CE-CD1 4.18Å; M101-Y118 HydrophobicContact CG-CD1 3.98Å; M101-Y118 HydrophobicContact CG-CG 4.48Å; M101-P119 HydrophobicContact CE-CB 4.05Å; M101-P119 HydrophobicContact CE-CG 4.08Å | ||
| 102 | E | 96.6 | Very high | 96.1 | Very high | 118 Ų | 118 | 101.5 Ų | 101.5 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | trans | -75.8 | 163.5 | 179.2 | -61.8 | -169.8 | -147.4 | 0 | 0 | 112.9 | H104 H105 | E102-H104 VanDerWaalsContact C-N 3.27Å; E102-H104 PolarHBondContact O-N 3.43Å; E102-H104 IonicContact OE2-CD2 3.64Å; E102-H104 IonicContact OE2-CE1 2.76Å; E102-H104 IonicContact OE2-NE2 3.02Å; E102-H104 PolarHBondContact OE2-NE2 2.99Å; E102-H105 PolarHBondContact N-ND1 3.31Å; E102-H105 WeakPolarHBondContact O-CB 3.13Å; E102-H105 PolarHBondContact O-N 3.28Å; E102-H105 VanDerWaalsContact O-N 3.09Å | ||
| 103 | R | 96.7 | Very high | 96.1 | Very high | 210 Ų | 210 | 101.9 Ų | 101.9 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -60.8 | -36.7 | 179.2 | -178.9 | -178.5 | -109.7 | -168.3 | -4.1 | 111.9 | H105 R106 | R103-H105 PolarHBondContact O-N 3.33Å; R103-R106 WeakPolarHBondContact O-CB 3.35Å; R103-R106 PolarHBondContact O-N 3.04Å; R103-R106 VanDerWaalsContact O-N 3.09Å |
| 104 | H | 96.9 | Very high | 96.1 | Very high | 132 Ų | 132 | 102.6 Ų | 102.6 | 61% | 0.611 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -70.5 | -17.1 | 178.6 | 60.9 | 50.6 | 0 | 0 | 0 | 113.4 | E102 R106 | E102-H104 VanDerWaalsContact C-N 3.27Å; E102-H104 PolarHBondContact O-N 3.43Å; E102-H104 IonicContact OE2-CD2 3.64Å; E102-H104 IonicContact OE2-CE1 2.76Å; E102-H104 IonicContact OE2-NE2 3.02Å; E102-H104 PolarHBondContact OE2-NE2 2.99Å; H104-R106 PolarHBondContact O-N 3.37Å |
| 105 | H | 97.3 | Very high | 96.2 | Very high | 67 Ų | 67 | 105.4 Ų | 105.4 | 31% | 0.31 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -79.5 | -3.3 | 171.7 | -62.9 | 150.4 | 0 | 0 | 0 | 112.9 | M101 E102 R103 S107 Y118 P119 | M101-H105 HydrophobicContact CE-CB 4.18Å; E102-H105 PolarHBondContact N-ND1 3.31Å; E102-H105 WeakPolarHBondContact O-CB 3.13Å; E102-H105 PolarHBondContact O-N 3.28Å; E102-H105 VanDerWaalsContact O-N 3.09Å; R103-H105 PolarHBondContact O-N 3.33Å; H105-S107 PolarHBondContact O-N 2.81Å; H105-Y118 HydrophobicContact CB-CD1 4Å; H105-Y118 HydrophobicContact CB-CE1 4.36Å; H105-Y118 WeakPolarHBondContact O-CD1 3.43Å; H105-P119 HydrophobicContact CB-CG 4.39Å; H105-P119 WeakPolarHBondContact O-CD 3.48Å |
| 106 | R | 97.6 | Very high | 96.4 | Very high | 102 Ų | 102 | 106.4 Ų | 106.4 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | trans | -81.5 | 109.4 | 179.1 | -173.7 | -173.3 | -73.9 | -167.7 | -0.2 | 109.7 | R103 H104 Y116 Y118 | R103-R106 WeakPolarHBondContact O-CB 3.35Å; R103-R106 PolarHBondContact O-N 3.04Å; R103-R106 VanDerWaalsContact O-N 3.09Å; H104-R106 PolarHBondContact O-N 3.37Å; R106-Y116 VanDerWaalsContact CD-CD1 3.43Å; R106-Y116 HydrophobicContact CG-CD1 3.5Å; R106-Y116 VanDerWaalsContact CG-CD1 3.5Å; R106-Y116 HydrophobicContact CG-CD2 4.25Å; R106-Y116 HydrophobicContact CG-CE1 4.16Å; R106-Y116 HydrophobicContact CG-CG 3.55Å; R106-Y118 HydrophobicContact CB-CE1 3.99Å; R106-Y118 PolarHBondContact NE-OH 3.43Å; R106-Y118 VanDerWaalsContact NE-OH 3.17Å | ||
| 107 | S | 96.7 | Very high | 96.5 | Very high | 57 Ų | 57 | 104.1 Ų | 104.1 | 40% | 0.399 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 162.4 | 171.5 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | H105 Y116 T117 | H105-S107 PolarHBondContact O-N 2.81Å; S107-Y116 CarbonylContact O-C 3.55Å; S107-Y116 VanDerWaalsContact O-CA 3.25Å; S107-Y116 WeakPolarHBondContact O-CA 3.48Å; S107-T117 WeakPolarHBondContact CA-O 3.47Å; S107-T117 WeakPolarHBondContact CB-O 3.45Å; S107-T117 PolarHBondContact N-O 3.11Å; S107-T117 PolarHBondContact O-N 3.46Å |
| 108 | P | 97.2 | Very high | 96.7 | Very high | 107 Ų | 107 | 104.9 Ų | 104.9 | 70% | 0.695 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 153.9 | 168.9 | -24.5 | 34.9 | 0 | 0 | 0 | 112.5 | T117 | P108-T117 WeakPolarHBondContact O-CB 3.28Å; P108-T117 PolarHBondContact O-OG1 3.41Å |
| 109 | G | 97.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 102 Ų | 102 | 29% | 0.289 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -61 | 137.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q114 M115 T117 | G109-Q114 WeakPolarHBondContact CA-O 3.44Å; G109-M115 PolarHBondContact N-O 3.18Å; G109-T117 VanDerWaalsContact CA-OG1 3.31Å; G109-T117 WeakPolarHBondContact CA-OG1 3.27Å |
| 110 | V | 96 | Very high | 96.7 | Very high | 127 Ų | 127 | 100.6 Ų | 100.6 | 77% | 0.77 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -95 | -34.1 | 178 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | T117 | V110-T117 HydrophobicContact CG2-CG2 4.19Å; V110-T117 PolarHBondContact N-OG1 3.36Å; V110-T117 VanDerWaalsContact N-OG1 3.13Å |
| 111 | A | 96.5 | Very high | 96.6 | Very high | 60 Ų | 60 | 98.5 Ų | 98.5 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -93.1 | 153.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G113 Q114 | A111-G113 PolarHBondContact O-N 3.25Å; A111-Q114 HydrophobicContact CB-CB 4.3Å; A111-Q114 VanDerWaalsContact N-OE1 3.12Å; A111-Q114 WeakPolarHBondContact O-CB 3.4Å; A111-Q114 PolarHBondContact O-N 3.36Å |
| 112 | A | 96.5 | Very high | 96.6 | Very high | 113 Ų | 113 | 101.5 Ų | 101.5 | 93% | 0.934 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 130.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q114 | A112-Q114 PolarHBondContact O-N 3.43Š|
| 113 | G | 96.6 | Very high | 96.4 | Very high | 84 Ų | 84 | 106.2 Ų | 106.2 | 87% | 0.866 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.4 | -3.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A111 | A111-G113 PolarHBondContact O-N 3.25Š|
| 114 | Q | 97.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 107.4 Ų | 107.4 | 36% | 0.36 | 59% | 0.587 | S | S | . | * | trans | -82.2 | 124.9 | 172.9 | -169.1 | 178.5 | 0.5 | 0 | 0 | 109.7 | G109 A111 A112 Y116 T117 | G109-Q114 WeakPolarHBondContact CA-O 3.44Å; A111-Q114 HydrophobicContact CB-CB 4.3Å; A111-Q114 VanDerWaalsContact N-OE1 3.12Å; A111-Q114 WeakPolarHBondContact O-CB 3.4Å; A111-Q114 PolarHBondContact O-N 3.36Å; A112-Q114 PolarHBondContact O-N 3.43Å; Q114-Y116 VanDerWaalsContact CG-O 3.27Å; Q114-Y116 WeakPolarHBondContact CG-O 3.44Å; Q114-Y116 PolarHBondContact NE2-O 3.43Å; Q114-T117 PolarHBondContact NE2-OG1 3.43Å | ||
| 115 | M | 96.8 | Very high | 96.2 | Very high | 147 Ų | 147 | 109.4 Ų | 109.4 | 72% | 0.724 | 59% | 0.594 | S | S | * | * | trans | -78.6 | -43 | 176.5 | -61.9 | -58.9 | -68.7 | 0 | 0 | 111.6 | G109 | G109-M115 PolarHBondContact N-O 3.18Š| ||
| 116 | Y | 97.6 | Very high | 95.7 | Very high | 115 Ų | 115 | 114 Ų | 114 | 45% | 0.451 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141 | 150 | -175.4 | -56.1 | -58.7 | 0 | 0 | 0 | 112.1 | R106 S107 Q114 | R106-Y116 VanDerWaalsContact CD-CD1 3.43Å; R106-Y116 HydrophobicContact CG-CD1 3.5Å; R106-Y116 VanDerWaalsContact CG-CD1 3.5Å; R106-Y116 HydrophobicContact CG-CD2 4.25Å; R106-Y116 HydrophobicContact CG-CE1 4.16Å; R106-Y116 HydrophobicContact CG-CG 3.55Å; S107-Y116 CarbonylContact O-C 3.55Å; S107-Y116 VanDerWaalsContact O-CA 3.25Å; S107-Y116 WeakPolarHBondContact O-CA 3.48Å; Q114-Y116 VanDerWaalsContact CG-O 3.27Å; Q114-Y116 WeakPolarHBondContact CG-O 3.44Å; Q114-Y116 PolarHBondContact NE2-O 3.43Å |
| 117 | T | 97.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 120 Ų | 120 | 20% | 0.196 | 64% | 0.636 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 144 | 172.7 | -47.1 | 0 | 0 | 0 | 0 | 108.9 | S107 P108 G109 V110 Q114 | S107-T117 WeakPolarHBondContact CA-O 3.47Å; S107-T117 WeakPolarHBondContact CB-O 3.45Å; S107-T117 PolarHBondContact N-O 3.11Å; S107-T117 PolarHBondContact O-N 3.46Å; P108-T117 WeakPolarHBondContact O-CB 3.28Å; P108-T117 PolarHBondContact O-OG1 3.41Å; G109-T117 VanDerWaalsContact CA-OG1 3.31Å; G109-T117 WeakPolarHBondContact CA-OG1 3.27Å; V110-T117 HydrophobicContact CG2-CG2 4.19Å; V110-T117 PolarHBondContact N-OG1 3.36Å; V110-T117 VanDerWaalsContact N-OG1 3.13Å; Q114-T117 PolarHBondContact NE2-OG1 3.43Å |
| 118 | Y | 97.3 | Very high | 94.5 | Very high | 84 Ų | 84 | 128.6 Ų | 128.6 | 33% | 0.329 | 66% | 0.659 | S | S | . | * | trans | -116.9 | 151 | 173.9 | -75 | -89.5 | 0 | 0 | 0 | 109.5 | M101 H105 R106 A120 | M101-Y118 HydrophobicContact CB-CD1 3.53Å; M101-Y118 HydrophobicContact CB-CE1 3.65Å; M101-Y118 HydrophobicContact CB-CG 4.41Å; M101-Y118 HydrophobicContact CE-CD1 4.18Å; M101-Y118 HydrophobicContact CG-CD1 3.98Å; M101-Y118 HydrophobicContact CG-CG 4.48Å; H105-Y118 HydrophobicContact CB-CD1 4Å; H105-Y118 HydrophobicContact CB-CE1 4.36Å; H105-Y118 WeakPolarHBondContact O-CD1 3.43Å; R106-Y118 HydrophobicContact CB-CE1 3.99Å; R106-Y118 PolarHBondContact NE-OH 3.43Å; R106-Y118 VanDerWaalsContact NE-OH 3.17Å; Y118-A120 PolarHBondContact O-N 3.01Å; Y118-A120 VanDerWaalsContact O-N 3.15Å | ||
| 119 | P | 96.4 | Very high | 93 | Very high | 77 Ų | 77 | 130.9 Ų | 130.9 | 50% | 0.5 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -49 | 120.1 | 174.6 | -29.1 | 31.6 | 0 | 0 | 0 | 112.1 | M101 H105 | M101-P119 HydrophobicContact CE-CB 4.05Å; M101-P119 HydrophobicContact CE-CG 4.08Å; H105-P119 HydrophobicContact CB-CG 4.39Å; H105-P119 WeakPolarHBondContact O-CD 3.48Å |
| 120 | A | 93.9 | Very high | 91.3 | Very high | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 139.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y118 | Y118-A120 PolarHBondContact O-N 3.01Å; Y118-A120 VanDerWaalsContact O-N 3.15Å |
| 121 | R | 93.6 | Very high | 89.5 | Confident | 170 Ų | 170 | 138.4 Ų | 138.4 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 125.2 | 176.5 | -167.6 | 168.7 | -179.6 | -120.7 | 3.8 | 110.1 | Y98 | Y98-R121 VanDerWaalsContact CE2-CZ 3.47Š|
| 122 | C | 95.4 | Very high | 87.7 | Confident | 129 Ų | 129 | 142 Ų | 142 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 135.1 | 173.7 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 123 | W | 93.7 | Very high | 85.7 | Confident | 216 Ų | 216 | 141.3 Ų | 141.3 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -141.9 | 153.6 | 177.2 | 61.5 | -83.7 | 0 | 0 | 0 | 109.9 | K125 | W123-K125 HydrophobicContact CZ3-CB 4.16Š| ||
| 124 | R | 94.5 | Very high | 83.4 | Confident | 236 Ų | 236 | 141.1 Ų | 141.1 | 89% | 0.891 | 67% | 0.667 | S | S | * | * | trans | -133.8 | 123.8 | 178.6 | -174.5 | 167.6 | 64.1 | -172.2 | 1 | 109.9 | K126 | R124-K126 PolarHBondContact O-N 3.47Š| ||
| 125 | K | 93.6 | Very high | 81.4 | Confident | 174 Ų | 174 | 143.2 Ų | 143.2 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 122.6 | 174.9 | -168.1 | 175.1 | -178.8 | 178.3 | 0 | 109.6 | W123 R127 | W123-K125 HydrophobicContact CZ3-CB 4.16Å; K125-R127 PolarHBondContact O-N 3.27Å |
| 126 | K | 88.1 | Confident | 79.4 | Confident | 162 Ų | 162 | 147 Ų | 147 | 70% | 0.704 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129.1 | 172.1 | -168.1 | 166.8 | -174.5 | 165.9 | 0 | 109.5 | R124 R128 | R124-K126 PolarHBondContact O-N 3.47Å; K126-R128 PolarHBondContact O-N 3.19Å |
| 127 | R | 87.8 | Confident | 77.4 | Confident | 230 Ų | 230 | 147.5 Ų | 147.5 | 87% | 0.868 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 126.7 | 169.4 | -78.9 | -170 | -66.6 | 140.8 | -0.7 | 108.3 | K125 L129 | K125-R127 PolarHBondContact O-N 3.27Å; R127-L129 PolarHBondContact O-N 3.43Å |
| 128 | R | 80.4 | Confident | 75.2 | Confident | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.891 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 121.7 | 171.2 | -61.5 | -173.6 | -169.3 | -83.3 | 2.1 | 106.7 | K126 H130 | K126-R128 PolarHBondContact O-N 3.19Å; R128-H130 PolarHBondContact O-N 2.9Å |
| 129 | L | 66.1 | Low | 73.1 | Confident | 156 Ų | 156 | 151.7 Ų | 151.7 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135.7 | 162.1 | -71.8 | 163.9 | 0 | 0 | 0 | 106.2 | R127 N131 | R127-L129 PolarHBondContact O-N 3.43Å; L129-N131 PolarHBondContact O-N 2.8Å; L129-N131 VanDerWaalsContact O-N 3.1Å |
| 130 | H | 62.1 | Low | 70.7 | Confident | 177 Ų | 177 | 159.1 Ų | 159.1 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120.4 | 171.4 | -154.2 | 75.3 | 0 | 0 | 0 | 106.1 | R128 T132 | R128-H130 PolarHBondContact O-N 2.9Å; H130-T132 PolarHBondContact O-N 2.66Å |
| 131 | N | 58.3 | Low | 68.5 | Low | 136 Ų | 136 | 157.7 Ų | 157.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -57.9 | 114.2 | 170 | -72.1 | -7.8 | 0 | 0 | 0 | 104.6 | L129 T133 | L129-N131 PolarHBondContact O-N 2.8Å; L129-N131 VanDerWaalsContact O-N 3.1Å; N131-T133 PolarHBondContact O-N 3.07Å | ||
| 132 | T | 58 | Low | 66.1 | Low | 135 Ų | 135 | 157.5 Ų | 157.5 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -62.3 | 92.2 | 159.8 | 50 | 0 | 0 | 0 | 0 | 104.1 | H130 D134 | H130-T132 PolarHBondContact O-N 2.66Å; T132-D134 PolarHBondContact O-N 2.94Å | ||
| 133 | T | 53.8 | Low | 63.3 | Low | 99 Ų | 99 | 160.7 Ų | 160.7 | 61% | 0.607 | 77% | 0.767 | S | S | * | * | trans | -50 | 112 | 172.8 | -52.1 | 0 | 0 | 0 | 0 | 105.7 | N131 P135 | N131-T133 PolarHBondContact O-N 3.07Å; T133-P135 WeakPolarHBondContact O-CD 3.31Å; T133-P135 VanDerWaalsContact O-N 3.1Å | ||
| 134 | D | 48 | Very low | 60.9 | Low | 79 Ų | 79 | 158.2 Ų | 158.2 | 42% | 0.422 | 77% | 0.769 | S | S | . | * | trans | -54.9 | 117.5 | 168.3 | -179.7 | -8.9 | 0 | 0 | 0 | 105.9 | T132 R136 L137 | T132-D134 PolarHBondContact O-N 2.94Å; D134-R136 PolarHBondContact O-N 3.28Å; D134-R136 VanDerWaalsContact OD1-CB 3.31Å; D134-R136 WeakPolarHBondContact OD1-CB 3.31Å; D134-R136 WeakPolarHBondContact OD1-CG 3.45Å; D134-R136 PolarHBondContact OD1-N 3.41Å; D134-L137 HydrophobicContact CB-CB 4.5Å; D134-L137 HydrophobicContact CB-CD1 4.46Å; D134-L137 HydrophobicContact CB-CG 4.42Å; D134-L137 PolarHBondContact O-N 3.2Å | ||
| 135 | P | 56.9 | Low | 58.4 | Low | 121 Ų | 121 | 154.4 Ų | 154.4 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -16.1 | 179.1 | -24.5 | 34.3 | 0 | 0 | 0 | 113 | T133 | T133-P135 WeakPolarHBondContact O-CD 3.31Å; T133-P135 VanDerWaalsContact O-N 3.1Å |
| 136 | R | 54.8 | Low | 55.7 | Low | 227 Ų | 227 | 149.4 Ų | 149.4 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -14.8 | 178 | -51.4 | -175.2 | 104.3 | -173.8 | 5.8 | 113.7 | D134 G138 | D134-R136 PolarHBondContact O-N 3.28Å; D134-R136 VanDerWaalsContact OD1-CB 3.31Å; D134-R136 WeakPolarHBondContact OD1-CB 3.31Å; D134-R136 WeakPolarHBondContact OD1-CG 3.45Å; D134-R136 PolarHBondContact OD1-N 3.41Å; R136-G138 VanDerWaalsContact C-N 3.3Å |
| 137 | L | 56.1 | Low | 53.4 | Low | 125 Ų | 125 | 145 Ų | 145 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -101.3 | 48.3 | 169.1 | -64 | 176.2 | 0 | 0 | 0 | 109.7 | D134 I139 | D134-L137 HydrophobicContact CB-CB 4.5Å; D134-L137 HydrophobicContact CB-CD1 4.46Å; D134-L137 HydrophobicContact CB-CG 4.42Å; D134-L137 PolarHBondContact O-N 3.2Å; L137-I139 PolarHBondContact O-N 3.47Å |
| 138 | G | 50.1 | Low | 51.1 | Low | 44 Ų | 44 | 141.9 Ų | 141.9 | 45% | 0.454 | 76% | 0.764 | S | S | . | * | trans | -55.5 | 103.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | R136 Y140 | R136-G138 VanDerWaalsContact C-N 3.3Å; G138-Y140 VanDerWaalsContact C-N 3.35Å; G138-Y140 WeakPolarHBondContact O-CD2 3.27Å; G138-Y140 PolarHBondContact O-N 2.71Å | ||
| 139 | I | 52.9 | Low | 49 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -57.3 | 106.2 | 164.5 | -61.6 | -171.4 | 0 | 0 | 0 | 105.4 | L137 G141 | L137-I139 PolarHBondContact O-N 3.47Å; I139-G141 PolarHBondContact O-N 2.65Å; I139-G141 VanDerWaalsContact O-N 3.12Å | ||
| 140 | Y | 46 | Very low | 47.9 | Very low | 233 Ų | 233 | 136.4 Ų | 136.4 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -55.4 | 118 | 179 | -78.7 | -95.7 | 0 | 0 | 0 | 109.4 | G138 | G138-Y140 VanDerWaalsContact C-N 3.35Å; G138-Y140 WeakPolarHBondContact O-CD2 3.27Å; G138-Y140 PolarHBondContact O-N 2.71Å |
| 141 | G | 47.9 | Very low | 46.8 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | 102.8 | 47.3 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | I139 | I139-G141 PolarHBondContact O-N 2.65Å; I139-G141 VanDerWaalsContact O-N 3.12Å | ||
| 142 | L | 43.7 | Very low | 45.6 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -132.8 | 85.2 | 149.3 | -69.3 | 177.1 | 0 | 0 | 0 | 109.8 | L144 | L142-L144 PolarHBondContact O-N 3.08Å; L142-L144 VanDerWaalsContact O-N 3.11Å | ||
| 143 | Q | 36.9 | Very low | 44.8 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | trans | -71.1 | 94.3 | 164.8 | -170.9 | 160.1 | 23.6 | 0 | 0 | 107.6 | ||||
| 144 | L | 43.6 | Very low | 44 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -92.2 | 97.7 | 162.2 | -101.6 | 155.1 | 0 | 0 | 0 | 106.9 | L142 | L142-L144 PolarHBondContact O-N 3.08Å; L142-L144 VanDerWaalsContact O-N 3.11Å | ||
| 145 | D | 40.8 | Very low | 44 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -56 | 130.4 | 164.7 | -175.8 | 27.6 | 0 | 0 | 0 | 109.7 | ||||
| 146 | G | 36.9 | Very low | 43.2 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 166.2 | 69.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 147 | G | 41.1 | Very low | 42.6 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -62.6 | 138.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 148 | L | 39.3 | Very low | 42.2 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -153.5 | 101.4 | 153.2 | -166.2 | 61.4 | 0 | 0 | 0 | 110.8 | ||||
| 149 | M | 36.3 | Very low | 42.6 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 21.1 | 110.3 | 151.5 | -50.3 | -57.5 | 92.2 | 0 | 0 | 118.6 | ||||
| 150 | S | 42.8 | Very low | 42.7 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -58.7 | 126.9 | 152.3 | -158.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 151 | R | 39.6 | Very low | 42.8 | Very low | 214 Ų | 214 | 131.2 Ų | 131.2 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -140.1 | 120.6 | 157.1 | -96.1 | -158.3 | 163.5 | -148 | 1.8 | 111.9 | ||||
| 152 | D | 32.2 | Very low | 43.3 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | trans | 74.1 | 92.9 | 133.6 | -51 | -20.2 | 0 | 0 | 0 | 118.4 | ||||
| 153 | T | 41.4 | Very low | 44 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | trans | -40.7 | 131.6 | 138 | 33.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 154 | L | 36.1 | Very low | 45 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | -173.9 | 159.4 | 128.6 | -92.6 | -179.4 | 0 | 0 | 0 | 110.5 | |||||
| 155 | P | 47.8 | Very low | 45.6 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | trans | -97.1 | 137.7 | -143.8 | 36.7 | -34.2 | 0 | 0 | 0 | 112.8 | ||||
| 156 | T | 40 | Very low | 46.4 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -146.3 | 102.9 | 171.8 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 157 | Q | 43.7 | Very low | 47.3 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | 47 | 111.7 | 147.3 | -52.9 | -164.5 | 20.2 | 0 | 0 | 117.6 | T159 | Q157-T159 PolarHBondContact O-N 2.99Š| ||
| 158 | G | 47.4 | Very low | 47.6 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | -51.3 | 101.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 159 | T | 58.4 | Low | 48.2 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | trans | -84.8 | 161.8 | 166.9 | 55.1 | 0 | 0 | 0 | 0 | 109 | Q157 L161 E162 | Q157-T159 PolarHBondContact O-N 2.99Å; T159-L161 PolarHBondContact O-N 3.42Å; T159-E162 PolarHBondContact O-N 3.25Å | ||
| 160 | T | 54.7 | Low | 49.1 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.1 | -13 | 177 | 52 | 0 | 0 | 0 | 0 | 115.7 | A163 L164 | T160-A163 PolarHBondContact O-N 3.34Å; T160-L164 PolarHBondContact O-N 2.6Å |
| 161 | L | 49.2 | Very low | 49.5 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 56% | 0.56 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -57.8 | -39.8 | 168.2 | -162.7 | 102.5 | 0 | 0 | 0 | 113.5 | T159 L164 L165 | T159-L161 PolarHBondContact O-N 3.42Å; L161-L164 PolarHBondContact O-N 3.31Å; L161-L165 HydrophobicContact CD2-CD1 4.01Å; L161-L165 HydrophobicContact CG-CD1 4.3Å; L161-L165 WeakPolarHBondContact O-CD1 3.31Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.14Å; L161-L165 PolarHBondContact O-N 2.93Å; L161-L165 VanDerWaalsContact O-N 3.08Å |
| 162 | E | 58.3 | Low | 50.1 | Low | 118 Ų | 118 | 123.2 Ų | 123.2 | 55% | 0.551 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.3 | -29.1 | -179.9 | -70.3 | -151.7 | 174.1 | 0 | 0 | 112.9 | T159 L165 R166 | T159-E162 PolarHBondContact O-N 3.25Å; E162-L165 PolarHBondContact O-N 3Å; E162-R166 PolarHBondContact O-N 3.31Å |
| 163 | A | 57.1 | Low | 50.8 | Low | 69 Ų | 69 | 125.3 Ų | 125.3 | 57% | 0.57 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -69 | -38.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T160 L165 R166 | T160-A163 PolarHBondContact O-N 3.34Å; A163-L165 VanDerWaalsContact C-N 3.35Å; A163-R166 PolarHBondContact O-N 2.76Å |
| 164 | L | 58.3 | Low | 51.3 | Low | 137 Ų | 137 | 124.2 Ų | 124.2 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69.2 | -32.7 | 175.3 | -69.9 | 165.4 | 0 | 0 | 0 | 112.5 | T160 L161 R166 G167 | T160-L164 PolarHBondContact O-N 2.6Å; L161-L164 PolarHBondContact O-N 3.31Å; L164-R166 VanDerWaalsContact C-N 3.29Å; L164-R166 PolarHBondContact O-N 2.8Å; L164-G167 PolarHBondContact O-N 2.83Å |
| 165 | L | 55.4 | Low | 51.9 | Low | 133 Ų | 133 | 121.3 Ų | 121.3 | 70% | 0.696 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.5 | -20.2 | 176.3 | -73.2 | 164.6 | 0 | 0 | 0 | 113.2 | L161 E162 A163 G167 | L161-L165 HydrophobicContact CD2-CD1 4.01Å; L161-L165 HydrophobicContact CG-CD1 4.3Å; L161-L165 WeakPolarHBondContact O-CD1 3.31Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.14Å; L161-L165 PolarHBondContact O-N 2.93Å; L161-L165 VanDerWaalsContact O-N 3.08Å; E162-L165 PolarHBondContact O-N 3Å; A163-L165 VanDerWaalsContact C-N 3.35Å; L165-G167 VanDerWaalsContact C-N 3.26Å; L165-G167 PolarHBondContact O-N 2.9Å |
| 166 | R | 58 | Low | 52.1 | Low | 214 Ų | 214 | 118.8 Ų | 118.8 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 1.8 | 172.6 | -67.2 | -165.5 | -148.2 | 163.4 | 6.4 | 114.7 | E162 A163 L164 | E162-R166 PolarHBondContact O-N 3.31Å; A163-R166 PolarHBondContact O-N 2.76Å; L164-R166 VanDerWaalsContact C-N 3.29Å; L164-R166 PolarHBondContact O-N 2.8Å |
| 167 | G | 56.1 | Low | 53 | Low | 59 Ų | 59 | 117.2 Ų | 117.2 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | trans | 80 | 51.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L164 L165 G169 | L164-G167 PolarHBondContact O-N 2.83Å; L165-G167 VanDerWaalsContact C-N 3.26Å; L165-G167 PolarHBondContact O-N 2.9Å; G167-G169 VanDerWaalsContact C-N 3.27Å; G167-G169 PolarHBondContact O-N 3.07Å | ||
| 168 | E | 47.3 | Very low | 53.9 | Low | 162 Ų | 162 | 113.6 Ų | 113.6 | 76% | 0.757 | 62% | 0.621 | S | S | * | * | trans | -74.2 | 85 | 161.1 | -164.1 | 167.2 | -170.5 | 0 | 0 | 109.5 | L170 | E168-L170 HydrophobicContact CG-CD1 4.22Å; E168-L170 HydrophobicContact CG-CG 4.26Å; E168-L170 PolarHBondContact O-N 3.2Å | ||
| 169 | G | 53.3 | Low | 54.8 | Low | 56 Ų | 56 | 114.1 Ų | 114.1 | 58% | 0.577 | 61% | 0.607 | S | S | * | * | trans | -85.1 | 93 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G167 | G167-G169 VanDerWaalsContact C-N 3.27Å; G167-G169 PolarHBondContact O-N 3.07Å | ||
| 170 | L | 54.9 | Low | 55.3 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 61% | 0.607 | 61% | 0.606 | S | S | * | * | trans | -100.1 | -21.7 | 178.5 | -69.7 | 173.3 | 0 | 0 | 0 | 114.6 | E168 | E168-L170 HydrophobicContact CG-CD1 4.22Å; E168-L170 HydrophobicContact CG-CG 4.26Å; E168-L170 PolarHBondContact O-N 3.2Å | ||
| 171 | D | 49.8 | Very low | 56 | Low | 140 Ų | 140 | 115.5 Ų | 115.5 | 75% | 0.749 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -102.3 | -23.1 | -172.7 | -61.6 | -65.4 | 0 | 0 | 0 | 115.4 | ||
| 172 | K | 53.4 | Low | 57.1 | Low | 170 Ų | 170 | 112.7 Ų | 112.7 | 74% | 0.739 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -84.7 | -19.2 | -176.1 | -148.9 | 172.2 | -179 | -173.5 | 0 | 112.5 | S176 | K172-S176 PolarHBondContact O-OG 3.22Å |
| 173 | R | 47 | Very low | 57.9 | Low | 159 Ų | 159 | 111.5 Ų | 111.5 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -81.9 | -29.3 | -178.1 | -157.2 | 178.4 | -177.8 | -167.2 | -1.5 | 112.3 | S176 K177 | R173-S176 PolarHBondContact O-OG 2.71Å; R173-K177 HydrophobicContact CG-CD 3.86Å; R173-K177 VanDerWaalsContact CG-CE 3.46Å; R173-K177 HydrophobicContact CG-CG 4.23Å; R173-K177 WeakPolarHBondContact O-CB 3.37Å; R173-K177 VanDerWaalsContact O-CD 3.29Å; R173-K177 WeakPolarHBondContact O-CD 3.46Å; R173-K177 WeakPolarHBondContact O-CG 3.14Å; R173-K177 PolarHBondContact O-N 3.01Å |
| 174 | N | 51.4 | Low | 59 | Low | 109 Ų | 109 | 113 Ų | 113 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -75 | -39.8 | -177.7 | -79.7 | -1.4 | 0 | 0 | 0 | 113.3 | N178 | N174-N178 VanDerWaalsContact O-CB 3.3Å; N174-N178 WeakPolarHBondContact O-CB 3.27Å; N174-N178 PolarHBondContact O-N 3.42Å; N174-N178 VanDerWaalsContact O-N 3.1Å |
| 175 | N | 47.6 | Very low | 59.8 | Low | 105 Ų | 105 | 110.4 Ų | 110.4 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.4 | -44.7 | 178 | -148 | 89.6 | 0 | 0 | 0 | 111.3 | K177 N178 D179 | N175-K177 PolarHBondContact O-N 3.19Å; N175-N178 PolarHBondContact O-N 3.38Å; N175-D179 PolarHBondContact ND2-OD2 3Å; N175-D179 WeakPolarHBondContact O-CB 3.35Å; N175-D179 PolarHBondContact O-N 3.21Å |
| 176 | S | 53.5 | Low | 60.8 | Low | 57 Ų | 57 | 104.8 Ų | 104.8 | 40% | 0.399 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 177.8 | 68.5 | 0 | 0 | 0 | 0 | 112.1 | K172 R173 N178 D179 E180 | K172-S176 PolarHBondContact O-OG 3.22Å; R173-S176 PolarHBondContact O-OG 2.71Å; S176-N178 VanDerWaalsContact C-N 3.34Å; S176-N178 PolarHBondContact O-N 2.88Å; S176-D179 PolarHBondContact O-N 3.42Å; S176-E180 WeakPolarHBondContact O-CB 3.49Å; S176-E180 WeakPolarHBondContact O-CG 3.43Å; S176-E180 PolarHBondContact O-N 3.45Å |
| 177 | K | 59.3 | Low | 61.7 | Low | 94 Ų | 94 | 99.3 Ų | 99.3 | 41% | 0.409 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 175.6 | -79.3 | 171.8 | 169.9 | 173 | 0 | 112.4 | R173 N175 E180 E181 | R173-K177 HydrophobicContact CG-CD 3.86Å; R173-K177 VanDerWaalsContact CG-CE 3.46Å; R173-K177 HydrophobicContact CG-CG 4.23Å; R173-K177 WeakPolarHBondContact O-CB 3.37Å; R173-K177 VanDerWaalsContact O-CD 3.29Å; R173-K177 WeakPolarHBondContact O-CD 3.46Å; R173-K177 WeakPolarHBondContact O-CG 3.14Å; R173-K177 PolarHBondContact O-N 3.01Å; N175-K177 PolarHBondContact O-N 3.19Å; K177-E180 PolarHBondContact O-N 2.89Å; K177-E181 VanDerWaalsContact O-CB 3.24Å; K177-E181 WeakPolarHBondContact O-CB 3.4Å; K177-E181 PolarHBondContact O-N 3.32Å |
| 178 | N | 62.2 | Low | 62.9 | Low | 97 Ų | 97 | 103.6 Ų | 103.6 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 177.7 | -170.8 | 10.3 | 0 | 0 | 0 | 111.3 | N174 N175 S176 E181 S182 | N174-N178 VanDerWaalsContact O-CB 3.3Å; N174-N178 WeakPolarHBondContact O-CB 3.27Å; N174-N178 PolarHBondContact O-N 3.42Å; N174-N178 VanDerWaalsContact O-N 3.1Å; N175-N178 PolarHBondContact O-N 3.38Å; S176-N178 VanDerWaalsContact C-N 3.34Å; S176-N178 PolarHBondContact O-N 2.88Å; N178-E181 PolarHBondContact O-N 2.86Å; N178-S182 WeakPolarHBondContact O-CB 3.34Å; N178-S182 PolarHBondContact O-N 3.3Å |
| 179 | D | 65.3 | Low | 64.3 | Low | 81 Ų | 81 | 97.1 Ų | 97.1 | 43% | 0.433 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 175.6 | -61.4 | -31 | 0 | 0 | 0 | 110.7 | N175 S176 S182 L183 | N175-D179 PolarHBondContact ND2-OD2 3Å; N175-D179 WeakPolarHBondContact O-CB 3.35Å; N175-D179 PolarHBondContact O-N 3.21Å; S176-D179 PolarHBondContact O-N 3.42Å; D179-S182 PolarHBondContact O-N 2.97Å; D179-L183 WeakPolarHBondContact O-CB 3.48Å; D179-L183 VanDerWaalsContact O-CG 3.25Å; D179-L183 WeakPolarHBondContact O-CG 3.15Å; D179-L183 PolarHBondContact O-N 2.98Å |
| 180 | E | 69.3 | Low | 65.3 | Low | 118 Ų | 118 | 98.6 Ų | 98.6 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.5 | -40.7 | 175.6 | -64.6 | -70.7 | 140.3 | 0 | 0 | 112.3 | S176 K177 L183 L184 | S176-E180 WeakPolarHBondContact O-CB 3.49Å; S176-E180 WeakPolarHBondContact O-CG 3.43Å; S176-E180 PolarHBondContact O-N 3.45Å; K177-E180 PolarHBondContact O-N 2.89Å; E180-L183 PolarHBondContact O-N 2.89Å; E180-L184 VanDerWaalsContact O-CG 3.24Å; E180-L184 WeakPolarHBondContact O-CG 3.47Å; E180-L184 PolarHBondContact O-N 3.41Å |
| 181 | E | 68.6 | Low | 66.2 | Low | 124 Ų | 124 | 98.2 Ų | 98.2 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.6 | -40.2 | 174.7 | -177 | 173.6 | -169.7 | 0 | 0 | 111.6 | K177 N178 L183 L184 E185 | K177-E181 VanDerWaalsContact O-CB 3.24Å; K177-E181 WeakPolarHBondContact O-CB 3.4Å; K177-E181 PolarHBondContact O-N 3.32Å; N178-E181 PolarHBondContact O-N 2.86Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.16Å; E181-L184 PolarHBondContact O-N 3.5Å; E181-E185 WeakPolarHBondContact O-CB 3.18Å; E181-E185 PolarHBondContact O-N 3.04Å |
| 182 | S | 74.1 | Confident | 67.2 | Low | 49 Ų | 49 | 94.7 Ų | 94.7 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -39 | 172.3 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | N178 D179 E185 I186 | N178-S182 WeakPolarHBondContact O-CB 3.34Å; N178-S182 PolarHBondContact O-N 3.3Å; D179-S182 PolarHBondContact O-N 2.97Å; S182-E185 PolarHBondContact O-N 3.48Å; S182-I186 WeakPolarHBondContact O-CB 3.4Å; S182-I186 WeakPolarHBondContact O-CD1 3.17Å; S182-I186 WeakPolarHBondContact O-CG1 3.35Å; S182-I186 PolarHBondContact O-N 2.99Å |
| 183 | L | 73.6 | Confident | 67.7 | Low | 93 Ų | 93 | 89.7 Ų | 89.7 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 175.6 | -75.8 | 170.9 | 0 | 0 | 0 | 112.4 | D179 E180 E181 E185 I186 Q187 | D179-L183 WeakPolarHBondContact O-CB 3.48Å; D179-L183 VanDerWaalsContact O-CG 3.25Å; D179-L183 WeakPolarHBondContact O-CG 3.15Å; D179-L183 PolarHBondContact O-N 2.98Å; E180-L183 PolarHBondContact O-N 2.89Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.16Å; L183-E185 VanDerWaalsContact C-N 3.32Å; L183-I186 HydrophobicContact CD2-CD1 4.31Å; L183-I186 PolarHBondContact O-N 3.37Å; L183-Q187 WeakPolarHBondContact O-CB 3.34Å; L183-Q187 PolarHBondContact O-N 3.48Å |
| 184 | L | 80.1 | Confident | 68.5 | Low | 100 Ų | 100 | 85.4 Ų | 85.4 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 174.8 | -68.5 | 170 | 0 | 0 | 0 | 111.5 | E180 E181 Q187 R188 | E180-L184 VanDerWaalsContact O-CG 3.24Å; E180-L184 WeakPolarHBondContact O-CG 3.47Å; E180-L184 PolarHBondContact O-N 3.41Å; E181-L184 PolarHBondContact O-N 3.5Å; L184-Q187 PolarHBondContact O-N 3.22Å; L184-R188 WeakPolarHBondContact O-CG 3.32Å; L184-R188 PolarHBondContact O-N 3.33Å |
| 185 | E | 75.9 | Confident | 68.9 | Low | 82 Ų | 82 | 82.4 Ų | 82.4 | 38% | 0.383 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 174.3 | -177.8 | 61.3 | -172 | 0 | 0 | 111.9 | E181 S182 L183 Q187 R188 V189 | E181-E185 WeakPolarHBondContact O-CB 3.18Å; E181-E185 PolarHBondContact O-N 3.04Å; S182-E185 PolarHBondContact O-N 3.48Å; L183-E185 VanDerWaalsContact C-N 3.32Å; E185-Q187 VanDerWaalsContact C-N 3.29Å; E185-Q187 PolarHBondContact O-N 2.88Å; E185-R188 PolarHBondContact O-N 3.11Å; E185-R188 IonicContact OE2-CZ 3.74Å; E185-R188 VanDerWaalsContact OE2-CZ 3.27Å; E185-R188 IonicContact OE2-NE 2.66Å; E185-R188 PolarHBondContact OE2-NE 2.9Å; E185-R188 VanDerWaalsContact OE2-NE 3.07Å; E185-R188 IonicContact OE2-NH2 3.27Å; E185-R188 PolarHBondContact OE2-NH2 3.31Å; E185-V189 WeakPolarHBondContact O-CB 3.25Å; E185-V189 VanDerWaalsContact O-CG2 3.26Å; E185-V189 WeakPolarHBondContact O-CG2 3.14Å; E185-V189 PolarHBondContact O-N 3.22Å |
| 186 | I | 76.8 | Confident | 69.3 | Low | 15 Ų | 15 | 84.2 Ų | 84.2 | 8% | 0.077 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 172.2 | -69 | 156.3 | 0 | 0 | 0 | 110.4 | A77 S80 V81 S182 L183 V189 L190 | A77-I186 HydrophobicContact CB-CB 4.3Å; A77-I186 HydrophobicContact CB-CG1 3.84Å; A77-I186 HydrophobicContact CB-CG2 4.36Å; S80-I186 WeakPolarHBondContact OG-CD1 3.37Å; V81-I186 HydrophobicContact CG2-CD1 3.94Å; V81-I186 HydrophobicContact CG2-CG1 4.34Å; V81-I186 HydrophobicContact CG2-CG2 3.45Å; V81-I186 VanDerWaalsContact CG2-CG2 3.45Å; S182-I186 WeakPolarHBondContact O-CB 3.4Å; S182-I186 WeakPolarHBondContact O-CD1 3.17Å; S182-I186 WeakPolarHBondContact O-CG1 3.35Å; S182-I186 PolarHBondContact O-N 2.99Å; L183-I186 HydrophobicContact CD2-CD1 4.31Å; L183-I186 PolarHBondContact O-N 3.37Å; I186-V189 PolarHBondContact O-N 2.86Å; I186-L190 HydrophobicContact CG2-CD1 3.95Å; I186-L190 VanDerWaalsContact O-CG 3.29Å; I186-L190 WeakPolarHBondContact O-CG 3.42Å; I186-L190 PolarHBondContact O-N 3.28Å |
| 187 | Q | 75.9 | Confident | 69.3 | Low | 100 Ų | 100 | 87.9 Ų | 87.9 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 178.4 | -178.1 | 173.2 | -9.1 | 0 | 0 | 111.4 | L183 L184 E185 V189 L190 E191 | L183-Q187 WeakPolarHBondContact O-CB 3.34Å; L183-Q187 PolarHBondContact O-N 3.48Å; L184-Q187 PolarHBondContact O-N 3.22Å; E185-Q187 VanDerWaalsContact C-N 3.29Å; E185-Q187 PolarHBondContact O-N 2.88Å; Q187-V189 VanDerWaalsContact C-N 3.35Å; Q187-V189 PolarHBondContact O-N 3.4Å; Q187-L190 PolarHBondContact O-N 2.94Å; Q187-E191 HydrophobicContact CG-CG 4.24Å; Q187-E191 VanDerWaalsContact CG-OE1 3.23Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.36Å; Q187-E191 PolarHBondContact NE2-OE1 2.89Å; Q187-E191 WeakPolarHBondContact O-CB 3.37Å; Q187-E191 VanDerWaalsContact O-CG 3.28Å; Q187-E191 WeakPolarHBondContact O-CG 2.83Å; Q187-E191 PolarHBondContact O-N 3.12Å |
| 188 | R | 82 | Confident | 69.2 | Low | 149 Ų | 149 | 86.7 Ų | 86.7 | 56% | 0.562 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.3 | -43.9 | 175.8 | -77.2 | -164.6 | -65.3 | -139.1 | 2.1 | 112.7 | L184 E185 L190 E191 A192 | L184-R188 WeakPolarHBondContact O-CG 3.32Å; L184-R188 PolarHBondContact O-N 3.33Å; E185-R188 PolarHBondContact O-N 3.11Å; E185-R188 IonicContact OE2-CZ 3.74Å; E185-R188 VanDerWaalsContact OE2-CZ 3.27Å; E185-R188 IonicContact OE2-NE 2.66Å; E185-R188 PolarHBondContact OE2-NE 2.9Å; E185-R188 VanDerWaalsContact OE2-NE 3.07Å; E185-R188 IonicContact OE2-NH2 3.27Å; E185-R188 PolarHBondContact OE2-NH2 3.31Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 2.91Å; R188-E191 PolarHBondContact O-N 2.99Å; R188-A192 WeakPolarHBondContact O-CB 3.49Å; R188-A192 PolarHBondContact O-N 2.84Å |
| 189 | V | 76.3 | Confident | 68.5 | Low | 26 Ų | 26 | 90.3 Ų | 90.3 | 16% | 0.158 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | -180 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | R74 A77 E185 I186 Q187 | R74-V189 HydrophobicContact CB-CG1 3.99Å; R74-V189 HydrophobicContact CG-CG1 4.15Å; A77-V189 HydrophobicContact CB-CB 4.48Å; A77-V189 HydrophobicContact CB-CG1 4.32Å; E185-V189 WeakPolarHBondContact O-CB 3.25Å; E185-V189 VanDerWaalsContact O-CG2 3.26Å; E185-V189 WeakPolarHBondContact O-CG2 3.14Å; E185-V189 PolarHBondContact O-N 3.22Å; I186-V189 PolarHBondContact O-N 2.86Å; Q187-V189 VanDerWaalsContact C-N 3.35Å; Q187-V189 PolarHBondContact O-N 3.4Å |
| 190 | L | 74.4 | Confident | 67.8 | Low | 87 Ų | 87 | 93 Ų | 93 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.8 | -35.8 | 176.3 | -66.8 | 173.2 | 0 | 0 | 0 | 112.8 | I186 Q187 R188 D193 A194 | I186-L190 HydrophobicContact CG2-CD1 3.95Å; I186-L190 VanDerWaalsContact O-CG 3.29Å; I186-L190 WeakPolarHBondContact O-CG 3.42Å; I186-L190 PolarHBondContact O-N 3.28Å; Q187-L190 PolarHBondContact O-N 2.94Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 2.91Å; L190-D193 PolarHBondContact O-N 3.15Å; L190-A194 PolarHBondContact O-N 3.39Å |
| 191 | E | 73.9 | Confident | 66.9 | Low | 108 Ų | 108 | 94.5 Ų | 94.5 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.6 | -34.5 | 177.5 | -76.3 | 174.8 | 179.3 | 0 | 0 | 112.6 | Q187 R188 D193 A194 A195 | Q187-E191 HydrophobicContact CG-CG 4.24Å; Q187-E191 VanDerWaalsContact CG-OE1 3.23Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.36Å; Q187-E191 PolarHBondContact NE2-OE1 2.89Å; Q187-E191 WeakPolarHBondContact O-CB 3.37Å; Q187-E191 VanDerWaalsContact O-CG 3.28Å; Q187-E191 WeakPolarHBondContact O-CG 2.83Å; Q187-E191 PolarHBondContact O-N 3.12Å; R188-E191 PolarHBondContact O-N 2.99Å; E191-D193 VanDerWaalsContact C-N 3.29Å; E191-D193 PolarHBondContact O-N 3.12Å; E191-A194 PolarHBondContact O-N 2.92Å; E191-A195 PolarHBondContact O-N 2.89Å; E191-A195 VanDerWaalsContact O-N 3.11Å |
| 192 | A | 71.5 | Confident | 66 | Low | 65 Ų | 65 | 95.9 Ų | 95.9 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R188 A195 E196 | R188-A192 WeakPolarHBondContact O-CB 3.49Å; R188-A192 PolarHBondContact O-N 2.84Å; A192-A195 PolarHBondContact O-N 3.2Å; A192-E196 PolarHBondContact O-N 2.89Å |
| 193 | D | 63.7 | Low | 64.5 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 35% | 0.348 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.5 | -41.1 | 177.4 | -139.3 | 52.8 | 0 | 0 | 0 | 111.2 | R74 L190 E191 A195 E196 D197 | R74-D193 IonicContact CZ-OD1 2.8Å; R74-D193 IonicContact NE-OD1 3.27Å; R74-D193 PolarHBondContact NE-OD1 3.34Å; R74-D193 IonicContact NE-OD2 2.83Å; R74-D193 IonicContact NH2-OD1 3.68Å; R74-D193 PolarHBondContact NH2-OD1 3.41Å; L190-D193 PolarHBondContact O-N 3.15Å; E191-D193 VanDerWaalsContact C-N 3.29Å; E191-D193 PolarHBondContact O-N 3.12Å; D193-A195 VanDerWaalsContact C-N 3.28Å; D193-A195 PolarHBondContact O-N 2.93Å; D193-E196 PolarHBondContact O-N 3.17Å; D193-D197 PolarHBondContact O-N 2.93Å |
| 194 | A | 64.1 | Low | 63.5 | Low | 69 Ų | 69 | 103.6 Ų | 103.6 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.6 | -26.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L190 E191 | L190-A194 PolarHBondContact O-N 3.39Å; E191-A194 PolarHBondContact O-N 2.92Å |
| 195 | A | 58.3 | Low | 61.8 | Low | 47 Ų | 47 | 108.7 Ų | 108.7 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -78.3 | -34.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E191 A192 D193 A198 F199 | E191-A195 PolarHBondContact O-N 2.89Å; E191-A195 VanDerWaalsContact O-N 3.11Å; A192-A195 PolarHBondContact O-N 3.2Å; D193-A195 VanDerWaalsContact C-N 3.28Å; D193-A195 PolarHBondContact O-N 2.93Å; A195-A198 PolarHBondContact O-N 3.33Å; A195-F199 WeakPolarHBondContact O-CD2 3.3Å; A195-F199 WeakPolarHBondContact O-CE2 3.35Å |
| 196 | E | 57.3 | Low | 60.5 | Low | 143 Ų | 143 | 114.5 Ų | 114.5 | 67% | 0.668 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.4 | -39.2 | 176.8 | -165.5 | -140.7 | 179 | 0 | 0 | 111.9 | A192 D193 A198 F199 | A192-E196 PolarHBondContact O-N 2.89Å; D193-E196 PolarHBondContact O-N 3.17Å; E196-A198 PolarHBondContact O-N 3.45Å; E196-F199 PolarHBondContact O-N 2.98Å |
| 197 | D | 53.5 | Low | 58.9 | Low | 133 Ų | 133 | 119.3 Ų | 119.3 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -16.7 | -178.6 | -140.6 | 19.8 | 0 | 0 | 0 | 113.2 | D193 | D193-D197 PolarHBondContact O-N 2.93Š|
| 198 | A | 55.4 | Low | 57.4 | Low | 70 Ų | 70 | 121.5 Ų | 121.5 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -10.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A195 E196 | A195-A198 PolarHBondContact O-N 3.33Å; E196-A198 PolarHBondContact O-N 3.45Å |
| 199 | F | 48.5 | Very low | 55.3 | Low | 172 Ų | 172 | 120.7 Ų | 120.7 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -103.4 | 2.2 | -178.5 | -67.2 | -73.1 | 0 | 0 | 0 | 114 | A195 E196 | A195-F199 WeakPolarHBondContact O-CD2 3.3Å; A195-F199 WeakPolarHBondContact O-CE2 3.35Å; E196-F199 PolarHBondContact O-N 2.98Å |
| 200 | N | 51.6 | Low | 53.9 | Low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -105.5 | 7.1 | -177 | -167.3 | 53.6 | 0 | 0 | 0 | 114.2 | ||
| 201 | D | 49.8 | Very low | 52.6 | Low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -114.8 | 4.7 | -177.3 | -159.6 | 37.9 | 0 | 0 | 0 | 114 | ||
| 202 | D | 48.9 | Very low | 51.2 | Low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -107.2 | 12.3 | -171.8 | -139.5 | 21.9 | 0 | 0 | 0 | 114.7 | D204 | D202-D204 PolarHBondContact O-N 3.38Š| ||
| 203 | D | 43.9 | Very low | 49.7 | Very low | 168 Ų | 168 | 146 Ų | 146 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | -95.5 | 40 | 174.9 | -82.7 | -42.4 | 0 | 0 | 0 | 112.9 | ||||
| 204 | D | 50.6 | Low | 48.7 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -117.9 | 97.4 | 171.6 | -164.3 | 25.5 | 0 | 0 | 0 | 112.5 | D202 | D202-D204 PolarHBondContact O-N 3.38Š|
| 205 | Y | 44.9 | Very low | 47.7 | Very low | 207 Ų | 207 | 160.2 Ų | 160.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | 42.9 | 100.2 | 157.3 | -85.7 | -92 | 0 | 0 | 0 | 120 | V207 | Y205-V207 HydrophobicContact CD1-CG2 4.27Š| ||
| 206 | E | 48.1 | Very low | 47 | Very low | 204 Ų | 204 | 160.5 Ų | 160.5 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | -116.6 | 104.5 | 151.5 | -149.1 | -178.3 | -158.7 | 0 | 0 | 111.3 | ||||
| 207 | V | 43.2 | Very low | 46.5 | Very low | 117 Ų | 117 | 164 Ų | 164 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | -75.9 | 126.1 | 173.8 | 164.3 | 0 | 0 | 0 | 0 | 110.2 | Y205 | Y205-V207 HydrophobicContact CD1-CG2 4.27Š| ||
| 208 | D | 45.2 | Very low | 45.8 | Very low | 146 Ų | 146 | 161 Ų | 161 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -33.8 | 118.7 | 176.3 | -156.6 | 2.1 | 0 | 0 | 0 | 116.4 | ||||
| 209 | T | 37.7 | Very low | 45.3 | Very low | 131 Ų | 131 | 170.1 Ų | 170.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -138.9 | 134.6 | 153.3 | 49 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 210 | P | 47.8 | Very low | 44.7 | Very low | 117 Ų | 117 | 165.8 Ų | 165.8 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -94.3 | 134.9 | -160.5 | 34.7 | -34.3 | 0 | 0 | 0 | 115.9 | ||||
| 211 | K | 47 | Very low | 44.4 | Very low | 207 Ų | 207 | 171.2 Ų | 171.2 | 90% | 0.9 | 84% | 0.838 | S | S | * | * | trans | 23.1 | 120.7 | 147.1 | -69 | -179.6 | 178.5 | 169.4 | 0 | 119.9 | ||||
| 212 | R | 44.7 | Very low | 43.7 | Very low | 254 Ų | 254 | 167.7 Ų | 167.7 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | trans | -126.1 | 124.7 | 151.1 | -136.8 | 179.1 | 84.6 | 150.7 | 2 | 112.4 | ||||
| 213 | R | 38.5 | Very low | 43.4 | Very low | 240 Ų | 240 | 166.9 Ų | 166.9 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | trans | -77.3 | 135.6 | -173.4 | -76.3 | 178.2 | 161.8 | -137.7 | -1.4 | 114.7 | ||||
| 214 | H | 43.7 | Very low | 42.9 | Very low | 182 Ų | 182 | 162 Ų | 162 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | 44.1 | 123.7 | 131.8 | -139.6 | -90.9 | 0 | 0 | 0 | 122.5 | ||||
| 215 | R | 43.6 | Very low | 42.9 | Very low | 251 Ų | 251 | 167.4 Ų | 167.4 | 95% | 0.947 | 84% | 0.843 | S | S | * | * | trans | -154.5 | 120.5 | 140.9 | -141.8 | 177.4 | -171.5 | -172.8 | 2.8 | 110.8 | ||||
| 216 | G | 44 | Very low | 42.8 | Very low | 52 Ų | 52 | 168.8 Ų | 168.8 | 54% | 0.536 | 85% | 0.847 | S | S | . | * | trans | -99 | 155.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 217 | K | 45.8 | Very low | 42.4 | Very low | 218 Ų | 218 | 170.7 Ų | 170.7 | 95% | 0.948 | 85% | 0.845 | S | S | * | * | trans | 175.8 | 133.1 | 159 | -125.3 | 80.4 | 169.2 | -178.6 | 0 | 104.8 | ||||
| 218 | G | 39.4 | Very low | 42.4 | Very low | 70 Ų | 70 | 170.1 Ų | 170.1 | 72% | 0.722 | 84% | 0.842 | S | S | * | * | cis | 137.7 | 108.5 | 18 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 219 | R | 45.1 | Very low | 42.5 | Very low | 260 Ų | 260 | 170.2 Ų | 170.2 | 98% | 0.981 | 84% | 0.843 | S | S | * | * | trans | 39.5 | 130.7 | 155.6 | -58.7 | -175.7 | 175.7 | -152.1 | -2.6 | 121.7 | ||||
| 220 | G | 36.4 | Very low | 43 | Very low | 82 Ų | 82 | 170.7 Ų | 170.7 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | 173.9 | 102.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 221 | R | 44.2 | Very low | 43.1 | Very low | 253 Ų | 253 | 171.9 Ų | 171.9 | 96% | 0.955 | 84% | 0.839 | S | S | * | * | trans | -27.1 | 130.2 | 169.7 | -61.4 | 172.6 | 176.5 | -155.8 | -2.8 | 119.8 | ||||
| 222 | G | 35.8 | Very low | 43.4 | Very low | 74 Ų | 74 | 169.8 Ų | 169.8 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | 63.9 | 119.4 | 108.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 223 | S | 41.6 | Very low | 44.1 | Very low | 136 Ų | 136 | 164.8 Ų | 164.8 | 95% | 0.951 | 83% | 0.83 | S | S | * | * | trans | 77.6 | 132.7 | 134.5 | -160.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 224 | G | 34.7 | Very low | 45.1 | Very low | 67 Ų | 67 | 162.4 Ų | 162.4 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | 147.9 | 83.1 | 147.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 225 | R | 49.8 | Very low | 46.2 | Very low | 247 Ų | 247 | 156.6 Ų | 156.6 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -8.6 | 119.4 | 154.7 | -64.8 | 173.5 | 177.9 | -166 | -1.7 | 116.8 | ||||
| 226 | R | 42.7 | Very low | 47.6 | Very low | 237 Ų | 237 | 149.4 Ų | 149.4 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -132.3 | 96.5 | 143 | -70.1 | -163.8 | -179.5 | -168.9 | 1.2 | 108.9 | ||||
| 227 | R | 39.4 | Very low | 49.1 | Very low | 243 Ų | 243 | 149.5 Ų | 149.5 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | -97.7 | 91.5 | 158.3 | -83.6 | -93.4 | 178.3 | 163.3 | -1.8 | 105 | ||||
| 228 | T | 43 | Very low | 50.6 | Low | 105 Ų | 105 | 139.2 Ų | 139.2 | 64% | 0.644 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 139.4 | 162.8 | -46.2 | 0 | 0 | 0 | 0 | 107.4 | L230 | T228-L230 PolarHBondContact O-N 3.41Š| ||
| 229 | D | 48.5 | Very low | 52.1 | Low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | trans | -41 | 119 | 172.7 | -53.7 | -72.6 | 0 | 0 | 0 | 111.4 | ||||
| 230 | L | 47.6 | Very low | 53 | Low | 140 Ų | 140 | 131 Ų | 131 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | -115.3 | 90.2 | 169.4 | -70.3 | 179.1 | 0 | 0 | 0 | 107.4 | T228 D232 | T228-L230 PolarHBondContact O-N 3.41Å; L230-D232 PolarHBondContact O-N 3.28Å | ||
| 231 | D | 49.9 | Very low | 54 | Low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -3.4 | 90.8 | 143 | -147.1 | -36.7 | 0 | 0 | 0 | 114 | D233 | D231-D233 PolarHBondContact O-N 3.4Š| ||
| 232 | D | 54.4 | Low | 54.1 | Low | 163 Ų | 163 | 134.3 Ų | 134.3 | 87% | 0.872 | 67% | 0.672 | S | S | * | * | trans | -85.5 | 19.4 | -178.3 | -99.2 | -49 | 0 | 0 | 0 | 112.6 | L230 | L230-D232 PolarHBondContact O-N 3.28Š| ||
| 233 | D | 57.6 | Low | 54.8 | Low | 149 Ų | 149 | 139.2 Ų | 139.2 | 80% | 0.797 | 67% | 0.672 | S | S | * | * | trans | -105 | 17.5 | -178.7 | -94.7 | -42.4 | 0 | 0 | 0 | 114.4 | D231 P235 | D231-D233 PolarHBondContact O-N 3.4Å; D233-P235 WeakPolarHBondContact O-CD 3.21Å | ||
| 234 | K | 59.8 | Low | 55.2 | Low | 189 Ų | 189 | 139.2 Ų | 139.2 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -95.9 | 108.6 | 167.9 | -155.5 | 160.8 | -171.8 | 173.5 | 0 | 110.6 | Y236 | K234-Y236 PolarHBondContact O-N 3.13Š|
| 235 | P | 67.3 | Low | 55.7 | Low | 61 Ų | 61 | 145.5 Ų | 145.5 | 40% | 0.396 | 67% | 0.665 | S | S | . | * | trans | -60.1 | 137.7 | -176.4 | 21.8 | -31.6 | 0 | 0 | 0 | 111.1 | D233 V237 R258 | D233-P235 WeakPolarHBondContact O-CD 3.21Å; P235-V237 VanDerWaalsContact O-CG2 3.25Å; P235-V237 WeakPolarHBondContact O-CG2 3.29Å; P235-V237 PolarHBondContact O-N 2.97Å; P235-R258 HydrophobicContact CB-CB 4.36Å | ||
| 236 | Y | 73.8 | Confident | 55.4 | Low | 99 Ų | 99 | 142.4 Ų | 142.4 | 39% | 0.388 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 109.8 | -176.4 | -159.6 | -128.2 | 0 | 0 | 0 | 108.9 | K234 Y259 R262 L265 | K234-Y236 PolarHBondContact O-N 3.13Å; Y236-Y259 PolarHBondContact N-O 3.14Å; Y236-Y259 PolarHBondContact O-N 3.38Å; Y236-R262 HydrophobicContact CD1-CB 4.3Å; Y236-R262 HydrophobicContact CD1-CG 4.28Å; Y236-R262 HydrophobicContact CE1-CB 4.11Å; Y236-R262 HydrophobicContact CE1-CG 3.6Å; Y236-R262 HydrophobicContact CE2-CG 4.46Å; Y236-L265 HydrophobicContact CD1-CB 3.09Å; Y236-L265 HydrophobicContact CD1-CD2 3.17Å; Y236-L265 HydrophobicContact CD1-CG 3.66Å; Y236-L265 HydrophobicContact CD2-CD2 4.25Å; Y236-L265 HydrophobicContact CE1-CB 3.33Å; Y236-L265 HydrophobicContact CE1-CD2 3.08Å; Y236-L265 HydrophobicContact CE1-CG 3.62Å; Y236-L265 HydrophobicContact CE2-CD2 4.18Å; Y236-L265 HydrophobicContact CG-CB 4.21Å; Y236-L265 HydrophobicContact CG-CD2 3.74Å |
| 237 | V | 75.6 | Confident | 55.2 | Low | 54 Ų | 54 | 137.6 Ų | 137.6 | 33% | 0.327 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.4 | -168.8 | -169 | 0 | 0 | 0 | 0 | 110.9 | P235 D239 R258 L265 | P235-V237 VanDerWaalsContact O-CG2 3.25Å; P235-V237 WeakPolarHBondContact O-CG2 3.29Å; P235-V237 PolarHBondContact O-N 2.97Å; V237-D239 PolarHBondContact O-N 2.86Å; V237-R258 HydrophobicContact CB-CG 4.47Å; V237-R258 HydrophobicContact CG1-CG 4.14Å; V237-R258 HydrophobicContact CG2-CB 4.42Å; V237-R258 HydrophobicContact CG2-CG 3.8Å; V237-L265 WeakPolarHBondContact O-CD2 3.03Å |
| 238 | C | 76.6 | Confident | 55.4 | Low | 2 Ų | 2 | 129.9 Ų | 129.9 | 1% | 0.014 | 64% | 0.637 | C | S | . | * | trans | -73 | 118.7 | 167 | -167.1 | 0 | 0 | 0 | 0 | 108.9 | C255 K257 L265 H273 | C238-C255 HydrophobicContact CB-CB 4.42Å; C238-K257 PolarHBondContact N-O 2.89Å; C238-L265 HydrophobicContact CB-CD1 3.53Å; C238-H273 PolarHBondContact SG-NE2 2.86Å | ||
| 239 | D | 69.9 | Low | 56 | Low | 109 Ų | 109 | 135 Ų | 135 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | trans | -128.6 | 80.2 | 177.7 | -144.7 | -7 | 0 | 0 | 0 | 108.6 | V237 R241 | V237-D239 PolarHBondContact O-N 2.86Å; D239-R241 PolarHBondContact O-N 2.86Å; D239-R241 IonicContact OD1-NE 3.81Å | ||
| 240 | N | 65.4 | Low | 55.6 | Low | 48 Ų | 48 | 132.5 Ų | 132.5 | 26% | 0.257 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | 41.2 | -167.6 | -145.7 | -10.3 | 0 | 0 | 0 | 113.5 | Y269 H273 | N240-Y269 PolarHBondContact OD1-OH 3.45Å; N240-H273 PolarHBondContact ND2-CD2 2.82Å; N240-H273 VanDerWaalsContact ND2-CD2 3.29Å; N240-H273 PolarHBondContact ND2-CE1 3.06Å; N240-H273 VanDerWaalsContact ND2-CE1 3.33Å; N240-H273 PolarHBondContact ND2-ND1 3.37Å; N240-H273 PolarHBondContact ND2-NE2 3.26Å |
| 241 | R | 55.7 | Low | 55.8 | Low | 188 Ų | 188 | 135 Ų | 135 | 71% | 0.709 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -9.9 | 179.1 | -65.1 | -169 | -153.3 | -155 | 2.1 | 114.5 | D239 | D239-R241 PolarHBondContact O-N 2.86Å; D239-R241 IonicContact OD1-NE 3.81Å |
| 242 | Y | 48 | Very low | 55.8 | Low | 218 Ų | 218 | 132.9 Ų | 132.9 | 86% | 0.855 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -83.1 | -18.2 | -165.6 | -167.2 | -105.2 | 0 | 0 | 0 | 115 | ||
| 243 | K | 50.4 | Low | 55.9 | Low | 177 Ų | 177 | 130.2 Ų | 130.2 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -100.7 | -9.1 | 179.8 | -68.4 | -153.5 | 177.3 | -171.4 | 0 | 115.6 | K245 | K243-K245 PolarHBondContact O-N 3.45Š|
| 244 | Q | 49 | Very low | 56.1 | Low | 136 Ų | 136 | 126.9 Ų | 126.9 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | trans | -87.2 | 56 | 179.1 | -156.6 | 176.5 | 29.9 | 0 | 0 | 112.1 | ||||
| 245 | K | 45 | Very low | 56.6 | Low | 198 Ų | 198 | 118.8 Ų | 118.8 | 86% | 0.861 | 59% | 0.592 | S | S | * | * | trans | -108 | 80.6 | 162.4 | -99.1 | -172 | 176.8 | -177.9 | 0 | 108.3 | K243 | K243-K245 PolarHBondContact O-N 3.45Š| ||
| 246 | Q | 43.6 | Very low | 56.7 | Low | 183 Ų | 183 | 121.1 Ų | 121.1 | 86% | 0.855 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 158.2 | 120.4 | 142.3 | -78.1 | -99.7 | 11.1 | 0 | 0 | 107.4 | ||
| 247 | N | 39 | Very low | 56.8 | Low | 136 Ų | 136 | 121.6 Ų | 121.6 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | trans | 89.2 | 113.8 | 160.5 | -143.6 | -18.9 | 0 | 0 | 0 | 119.8 | ||||
| 248 | S | 44.5 | Very low | 57.1 | Low | 81 Ų | 81 | 127.3 Ų | 127.3 | 57% | 0.566 | 62% | 0.624 | S | S | * | * | trans | 57.6 | 108.7 | 151.9 | 47.3 | 0 | 0 | 0 | 0 | 122.9 | T250 | S248-T250 PolarHBondContact O-N 3.17Š| ||
| 249 | K | 54.2 | Low | 57.3 | Low | 213 Ų | 213 | 129.8 Ų | 129.8 | 93% | 0.926 | 63% | 0.634 | S | S | * | * | trans | 15.6 | 80 | 130.8 | -66.2 | 173.4 | -178.8 | 171.1 | 0 | 116.1 | ||||
| 250 | T | 41 | Very low | 57.5 | Low | 96 Ų | 96 | 136.4 Ų | 136.4 | 59% | 0.589 | 65% | 0.651 | S | S | * | * | trans | -137.2 | 131.1 | 151.8 | 40.8 | 0 | 0 | 0 | 0 | 107 | S248 T252 | S248-T250 PolarHBondContact O-N 3.17Å; T250-T252 PolarHBondContact O-N 3.34Å | ||
| 251 | L | 50.6 | Low | 58 | Low | 193 Ų | 193 | 138.9 Ų | 138.9 | 100% | 1.01 | 66% | 0.664 | S | S | * | * | trans | -70.1 | 68.4 | 175.2 | -87.8 | 157.2 | 0 | 0 | 0 | 108.9 | ||||
| 252 | T | 50.7 | Low | 59.2 | Low | 97 Ų | 97 | 139 Ų | 139 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | trans | -82.8 | 120.8 | 174.2 | -51.2 | 0 | 0 | 0 | 0 | 107.4 | T250 V254 | T250-T252 PolarHBondContact O-N 3.34Å; T252-V254 PolarHBondContact O-N 3.02Å | ||
| 253 | S | 56.9 | Low | 60.9 | Low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | trans | -50 | 111.1 | -174.3 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | C255 | S253-C255 PolarHBondContact O-N 3.42Å; S253-C255 VanDerWaalsContact O-N 3.11Å | ||
| 254 | V | 62 | Low | 62.5 | Low | 79 Ų | 79 | 126.5 Ų | 126.5 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | trans | -59.6 | 116.6 | 170.2 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | T252 T256 | T252-V254 PolarHBondContact O-N 3.02Å; V254-T256 HydrophobicContact CG1-CG2 4.44Å; V254-T256 PolarHBondContact O-N 2.83Å | ||
| 255 | C | 68.9 | Low | 64.2 | Low | 20 Ų | 20 | 120.7 Ų | 120.7 | 14% | 0.135 | 60% | 0.603 | C | S | . | * | trans | -67.3 | 118.1 | 177.5 | -175 | 0 | 0 | 0 | 0 | 109 | C238 S253 H268 | C238-C255 HydrophobicContact CB-CB 4.42Å; S253-C255 PolarHBondContact O-N 3.42Å; S253-C255 VanDerWaalsContact O-N 3.11Å; C255-H268 PolarHBondContact SG-NE2 3.45Å | ||
| 256 | T | 69.3 | Low | 66 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | trans | -112.1 | 25 | -178.9 | 41.9 | 0 | 0 | 0 | 0 | 112 | V254 | V254-T256 HydrophobicContact CG1-CG2 4.44Å; V254-T256 PolarHBondContact O-N 2.83Å | ||
| 257 | K | 77.2 | Confident | 68.1 | Low | 109 Ų | 109 | 112.9 Ų | 112.9 | 47% | 0.474 | 57% | 0.572 | S | S | . | * | trans | -72 | 133 | -178.4 | -69.7 | -174.9 | -174.7 | 175.4 | 0 | 111.3 | C238 Y259 | C238-K257 PolarHBondContact N-O 2.89Å; K257-Y259 HydrophobicContact CB-CE2 3.7Å; K257-Y259 VanDerWaalsContact CD-OH 3.3Å; K257-Y259 WeakPolarHBondContact CD-OH 3.18Å | ||
| 258 | R | 80.9 | Confident | 70.5 | Confident | 174 Ų | 174 | 106.8 Ų | 106.8 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.7 | 178.3 | -54.7 | -168.6 | 175.2 | -145.9 | -1.6 | 109.7 | P235 V237 | P235-R258 HydrophobicContact CB-CB 4.36Å; V237-R258 HydrophobicContact CB-CG 4.47Å; V237-R258 HydrophobicContact CG1-CG 4.14Å; V237-R258 HydrophobicContact CG2-CB 4.42Å; V237-R258 HydrophobicContact CG2-CG 3.8Å |
| 259 | Y | 81.9 | Confident | 72.3 | Confident | 55 Ų | 55 | 107.7 Ų | 107.7 | 22% | 0.216 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.3 | -179.1 | -62.7 | -85.8 | 0 | 0 | 0 | 110.4 | Y236 K257 N261 L265 H268 | Y236-Y259 PolarHBondContact N-O 3.14Å; Y236-Y259 PolarHBondContact O-N 3.38Å; K257-Y259 HydrophobicContact CB-CE2 3.7Å; K257-Y259 VanDerWaalsContact CD-OH 3.3Å; K257-Y259 WeakPolarHBondContact CD-OH 3.18Å; Y259-N261 VanDerWaalsContact C-N 3.29Å; Y259-L265 HydrophobicContact CD2-CB 3.74Å; Y259-L265 HydrophobicContact CD2-CD1 3.52Å; Y259-L265 HydrophobicContact CD2-CG 4.26Å; Y259-L265 HydrophobicContact CE2-CB 4.43Å; Y259-L265 HydrophobicContact CE2-CD1 3.65Å; Y259-L265 HydrophobicContact CG-CB 4.18Å; Y259-H268 HydrophobicContact CE1-CB 4.23Å; Y259-H268 HydrophobicContact CE2-CB 3.73Å; Y259-H268 AromaticContact CE2-CD2 3.67Å; Y259-H268 AromaticContact CE2-CG 3.73Å; Y259-H268 VanDerWaalsContact CZ-CB 3.46Å; Y259-H268 AromaticContact CZ-CD2 3.92Å; Y259-H268 AromaticContact CZ-CG 3.54Å; Y259-H268 WeakPolarHBondContact OH-CB 3.23Å; Y259-H268 PolarHBondContact OH-CD2 3.36Å; Y259-H268 PolarHBondContact OH-ND1 3.19Å; Y259-H268 VanDerWaalsContact OH-ND1 3.07Å |
| 260 | R | 73.3 | Confident | 73.6 | Confident | 248 Ų | 248 | 100.6 Ų | 100.6 | 94% | 0.936 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -76.7 | -18.2 | -179.7 | -163.1 | 170.4 | -176.1 | 177.3 | 0.8 | 112.6 | ||
| 261 | N | 76.5 | Confident | 75.3 | Confident | 99 Ų | 99 | 101 Ų | 101 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -146.1 | 148.2 | -174.6 | 41.6 | 11 | 0 | 0 | 0 | 111.8 | Y259 T263 G264 | Y259-N261 VanDerWaalsContact C-N 3.29Å; N261-T263 VanDerWaalsContact C-N 3.26Å; N261-T263 PolarHBondContact O-N 2.82Å; N261-G264 PolarHBondContact O-N 3.45Å; N261-G264 VanDerWaalsContact O-N 3.07Å |
| 262 | R | 80.3 | Confident | 76.4 | Confident | 192 Ų | 192 | 94 Ų | 94 | 73% | 0.725 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56 | -39.2 | -175.7 | -170.7 | 173.5 | -175.4 | -150.4 | -1.8 | 113.2 | Y236 G264 L265 S266 | Y236-R262 HydrophobicContact CD1-CB 4.3Å; Y236-R262 HydrophobicContact CD1-CG 4.28Å; Y236-R262 HydrophobicContact CE1-CB 4.11Å; Y236-R262 HydrophobicContact CE1-CG 3.6Å; Y236-R262 HydrophobicContact CE2-CG 4.46Å; R262-G264 VanDerWaalsContact C-N 3.31Å; R262-G264 PolarHBondContact O-N 3.18Å; R262-L265 PolarHBondContact O-N 3.32Å; R262-S266 PolarHBondContact O-N 3.3Å |
| 263 | T | 82.8 | Confident | 77.2 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 69% | 0.693 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.7 | -39.3 | 178.7 | -40.4 | 0 | 0 | 0 | 0 | 112 | N261 S266 Y267 | N261-T263 VanDerWaalsContact C-N 3.26Å; N261-T263 PolarHBondContact O-N 2.82Å; T263-S266 PolarHBondContact O-N 3.34Å; T263-Y267 PolarHBondContact O-N 2.99Å |
| 264 | G | 85.6 | Confident | 77.4 | Confident | 19 Ų | 19 | 91 Ų | 91 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N261 R262 H268 | N261-G264 PolarHBondContact O-N 3.45Å; N261-G264 VanDerWaalsContact O-N 3.07Å; R262-G264 VanDerWaalsContact C-N 3.31Å; R262-G264 PolarHBondContact O-N 3.18Å; G264-H268 WeakPolarHBondContact O-CB 3.18Å; G264-H268 PolarHBondContact O-N 3.02Å; G264-H268 VanDerWaalsContact O-N 3.07Å |
| 265 | L | 84.5 | Confident | 77 | Confident | 13 Ų | 13 | 89.5 Ų | 89.5 | 7% | 0.068 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72 | -35.4 | 174.6 | -178.4 | 67.3 | 0 | 0 | 0 | 112.1 | Y236 V237 C238 Y259 R262 Y267 H268 Y269 | Y236-L265 HydrophobicContact CD1-CB 3.09Å; Y236-L265 HydrophobicContact CD1-CD2 3.17Å; Y236-L265 HydrophobicContact CD1-CG 3.66Å; Y236-L265 HydrophobicContact CD2-CD2 4.25Å; Y236-L265 HydrophobicContact CE1-CB 3.33Å; Y236-L265 HydrophobicContact CE1-CD2 3.08Å; Y236-L265 HydrophobicContact CE1-CG 3.62Å; Y236-L265 HydrophobicContact CE2-CD2 4.18Å; Y236-L265 HydrophobicContact CG-CB 4.21Å; Y236-L265 HydrophobicContact CG-CD2 3.74Å; V237-L265 WeakPolarHBondContact O-CD2 3.03Å; C238-L265 HydrophobicContact CB-CD1 3.53Å; Y259-L265 HydrophobicContact CD2-CB 3.74Å; Y259-L265 HydrophobicContact CD2-CD1 3.52Å; Y259-L265 HydrophobicContact CD2-CG 4.26Å; Y259-L265 HydrophobicContact CE2-CB 4.43Å; Y259-L265 HydrophobicContact CE2-CD1 3.65Å; Y259-L265 HydrophobicContact CG-CB 4.18Å; R262-L265 PolarHBondContact O-N 3.32Å; L265-Y267 VanDerWaalsContact C-N 3.35Å; L265-H268 WeakPolarHBondContact O-CB 3.33Å; L265-H268 PolarHBondContact O-N 2.82Å; L265-Y269 PolarHBondContact O-N 3.09Å |
| 266 | S | 81.6 | Confident | 76.3 | Confident | 71 Ų | 71 | 93.9 Ų | 93.9 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 176.8 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | R262 T263 H268 Y269 T270 | R262-S266 PolarHBondContact O-N 3.3Å; T263-S266 PolarHBondContact O-N 3.34Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-N 3.37Å; S266-Y269 PolarHBondContact O-N 3.45Å; S266-T270 WeakPolarHBondContact O-CG2 3.4Å; S266-T270 PolarHBondContact O-N 3.34Å; S266-T270 VanDerWaalsContact O-N 3.1Å; S266-T270 PolarHBondContact O-OG1 3.09Å |
| 267 | Y | 89.1 | Confident | 75.6 | Confident | 147 Ų | 147 | 95.3 Ų | 95.3 | 58% | 0.576 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 174.2 | -178.6 | -91 | 0 | 0 | 0 | 111.8 | T263 L265 Y269 T270 H271 | T263-Y267 PolarHBondContact O-N 2.99Å; L265-Y267 VanDerWaalsContact C-N 3.35Å; Y267-Y269 VanDerWaalsContact C-N 3.31Å; Y267-Y269 PolarHBondContact O-N 3.5Å; Y267-T270 PolarHBondContact O-N 3.45Å; Y267-T270 PolarHBondContact O-OG1 3.48Å; Y267-T270 VanDerWaalsContact O-OG1 3.06Å; Y267-H271 AromaticContact CD2-CD2 3.24Å; Y267-H271 WeakPolarHBondContact CD2-CD2 3.12Å; Y267-H271 AromaticContact CD2-NE2 3.57Å; Y267-H271 HydrophobicContact CE1-CB 4.21Å; Y267-H271 AromaticContact CE1-CD2 3.89Å; Y267-H271 AromaticContact CE2-CD2 3.07Å; Y267-H271 WeakPolarHBondContact CE2-CD2 3.23Å; Y267-H271 AromaticContact CE2-CG 3.9Å; Y267-H271 AromaticContact CE2-NE2 3.25Å; Y267-H271 VanDerWaalsContact CE2-NE2 3.25Å; Y267-H271 WeakPolarHBondContact CE2-NE2 3.18Å; Y267-H271 AromaticContact CG-CD2 3.71Å; Y267-H271 AromaticContact CZ-CD2 3.41Å; Y267-H271 VanDerWaalsContact CZ-CD2 3.41Å; Y267-H271 AromaticContact CZ-CG 3.8Å; Y267-H271 AromaticContact CZ-NE2 3.93Å; Y267-H271 WeakPolarHBondContact O-CB 3.17Å; Y267-H271 PolarHBondContact O-CD2 3Å; Y267-H271 VanDerWaalsContact O-CD2 3.26Å; Y267-H271 PolarHBondContact O-N 3.43Å |
| 268 | H | 87.9 | Confident | 74.2 | Confident | 7 Ų | 7 | 97 Ų | 97 | 3% | 0.032 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.2 | 176.1 | 57 | 0 | 0 | 0 | 112.8 | C255 Y259 G264 L265 S266 S272 H273 | C255-H268 PolarHBondContact SG-NE2 3.45Å; Y259-H268 HydrophobicContact CE1-CB 4.23Å; Y259-H268 HydrophobicContact CE2-CB 3.73Å; Y259-H268 AromaticContact CE2-CD2 3.67Å; Y259-H268 AromaticContact CE2-CG 3.73Å; Y259-H268 VanDerWaalsContact CZ-CB 3.46Å; Y259-H268 AromaticContact CZ-CD2 3.92Å; Y259-H268 AromaticContact CZ-CG 3.54Å; Y259-H268 WeakPolarHBondContact OH-CB 3.23Å; Y259-H268 PolarHBondContact OH-CD2 3.36Å; Y259-H268 PolarHBondContact OH-ND1 3.19Å; Y259-H268 VanDerWaalsContact OH-ND1 3.07Å; G264-H268 WeakPolarHBondContact O-CB 3.18Å; G264-H268 PolarHBondContact O-N 3.02Å; G264-H268 VanDerWaalsContact O-N 3.07Å; L265-H268 WeakPolarHBondContact O-CB 3.33Å; L265-H268 PolarHBondContact O-N 2.82Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-N 3.37Å; H268-S272 WeakPolarHBondContact CE1-CB 3.15Å; H268-S272 PolarHBondContact CE1-OG 2.9Å; H268-S272 WeakPolarHBondContact ND1-CB 3.1Å; H268-S272 PolarHBondContact ND1-OG 3.17Å; H268-S272 VanDerWaalsContact O-CB 3.25Å; H268-S272 WeakPolarHBondContact O-CB 3.27Å; H268-S272 PolarHBondContact O-N 3.18Å; H268-H273 AromaticContact NE2-NE2 3.99Å |
| 269 | Y | 83 | Confident | 72.6 | Confident | 101 Ų | 101 | 97.6 Ų | 97.6 | 40% | 0.396 | 47% | 0.468 | S | S | . | . | I | π-helix | trans | -64.4 | -43.3 | 178.3 | -152 | -85.7 | 0 | 0 | 0 | 111.3 | N240 L265 S266 Y267 | N240-Y269 PolarHBondContact OD1-OH 3.45Å; L265-Y269 PolarHBondContact O-N 3.09Å; S266-Y269 PolarHBondContact O-N 3.45Å; Y267-Y269 VanDerWaalsContact C-N 3.31Å; Y267-Y269 PolarHBondContact O-N 3.5Å |
| 270 | T | 80.6 | Confident | 70.8 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | I | π-helix | trans | -74.9 | -28.9 | -178.4 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | S266 Y267 L274 | S266-T270 WeakPolarHBondContact O-CG2 3.4Å; S266-T270 PolarHBondContact O-N 3.34Å; S266-T270 VanDerWaalsContact O-N 3.1Å; S266-T270 PolarHBondContact O-OG1 3.09Å; Y267-T270 PolarHBondContact O-N 3.45Å; Y267-T270 PolarHBondContact O-OG1 3.48Å; Y267-T270 VanDerWaalsContact O-OG1 3.06Å; T270-L274 WeakPolarHBondContact O-CD1 3.39Å |
| 271 | H | 76.6 | Confident | 69.3 | Low | 103 Ų | 103 | 92 Ų | 92 | 48% | 0.477 | 48% | 0.48 | S | S | . | . | I | π-helix | trans | -107.6 | -19.9 | -174 | -69 | -73.8 | 0 | 0 | 0 | 115.3 | Y267 | Y267-H271 AromaticContact CD2-CD2 3.24Å; Y267-H271 WeakPolarHBondContact CD2-CD2 3.12Å; Y267-H271 AromaticContact CD2-NE2 3.57Å; Y267-H271 HydrophobicContact CE1-CB 4.21Å; Y267-H271 AromaticContact CE1-CD2 3.89Å; Y267-H271 AromaticContact CE2-CD2 3.07Å; Y267-H271 WeakPolarHBondContact CE2-CD2 3.23Å; Y267-H271 AromaticContact CE2-CG 3.9Å; Y267-H271 AromaticContact CE2-NE2 3.25Å; Y267-H271 VanDerWaalsContact CE2-NE2 3.25Å; Y267-H271 WeakPolarHBondContact CE2-NE2 3.18Å; Y267-H271 AromaticContact CG-CD2 3.71Å; Y267-H271 AromaticContact CZ-CD2 3.41Å; Y267-H271 VanDerWaalsContact CZ-CD2 3.41Å; Y267-H271 AromaticContact CZ-CG 3.8Å; Y267-H271 AromaticContact CZ-NE2 3.93Å; Y267-H271 WeakPolarHBondContact O-CB 3.17Å; Y267-H271 PolarHBondContact O-CD2 3Å; Y267-H271 VanDerWaalsContact O-CD2 3.26Å; Y267-H271 PolarHBondContact O-N 3.43Å |
| 272 | S | 74.9 | Confident | 67.6 | Low | 48 Ų | 48 | 95.6 Ų | 95.6 | 34% | 0.336 | 49% | 0.494 | S | S | . | . | I | π-helix | trans | -107.2 | -26.4 | -177.9 | -56.3 | 0 | 0 | 0 | 0 | 114.5 | H268 | H268-S272 WeakPolarHBondContact CE1-CB 3.15Å; H268-S272 PolarHBondContact CE1-OG 2.9Å; H268-S272 WeakPolarHBondContact ND1-CB 3.1Å; H268-S272 PolarHBondContact ND1-OG 3.17Å; H268-S272 VanDerWaalsContact O-CB 3.25Å; H268-S272 WeakPolarHBondContact O-CB 3.27Å; H268-S272 PolarHBondContact O-N 3.18Å |
| 273 | H | 67.6 | Low | 65.4 | Low | 44 Ų | 44 | 94.6 Ų | 94.6 | 20% | 0.204 | 49% | 0.49 | C | S | . | . | I | π-helix | trans | -96.1 | -33 | 177.9 | -75.2 | -62.1 | 0 | 0 | 0 | 113.3 | C238 N240 H268 E276 E277 | C238-H273 PolarHBondContact SG-NE2 2.86Å; N240-H273 PolarHBondContact ND2-CD2 2.82Å; N240-H273 VanDerWaalsContact ND2-CD2 3.29Å; N240-H273 PolarHBondContact ND2-CE1 3.06Å; N240-H273 VanDerWaalsContact ND2-CE1 3.33Å; N240-H273 PolarHBondContact ND2-ND1 3.37Å; N240-H273 PolarHBondContact ND2-NE2 3.26Å; H268-H273 AromaticContact NE2-NE2 3.99Å; H273-E276 PolarHBondContact O-N 3.04Å; H273-E277 PolarHBondContact O-N 3.38Å |
| 274 | L | 60 | Low | 62.9 | Low | 95 Ų | 95 | 94.2 Ų | 94.2 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.2 | -30.6 | 174.4 | -63.7 | 178.3 | 0 | 0 | 0 | 112.6 | T270 E276 E277 D278 | T270-L274 WeakPolarHBondContact O-CD1 3.39Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-E276 PolarHBondContact O-N 3.34Å; L274-E277 PolarHBondContact O-N 2.83Å; L274-D278 PolarHBondContact O-N 2.86Å |
| 275 | A | 53.7 | Low | 60.6 | Low | 49 Ų | 49 | 98.5 Ų | 98.5 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74 | -20.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 276 | E | 55.2 | Low | 58.2 | Low | 112 Ų | 112 | 103.3 Ų | 103.3 | 52% | 0.523 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -87 | -32.4 | 172.8 | -71.1 | -72.9 | 137 | 0 | 0 | 111.1 | H273 L274 D278 R279 T280 | H273-E276 PolarHBondContact O-N 3.04Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-E276 PolarHBondContact O-N 3.34Å; E276-D278 VanDerWaalsContact C-N 3.28Å; E276-D278 PolarHBondContact O-N 3.38Å; E276-R279 PolarHBondContact O-N 3.32Å; E276-T280 PolarHBondContact O-N 3.33Å; E276-T280 VanDerWaalsContact O-N 3.17Å; E276-T280 PolarHBondContact O-OG1 3.44Å |
| 277 | E | 54.3 | Low | 55.9 | Low | 139 Ų | 139 | 103.7 Ų | 103.7 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -36.6 | 175.3 | -152.7 | 164.4 | -159.1 | 0 | 0 | 111.3 | H273 L274 R279 T280 | H273-E277 PolarHBondContact O-N 3.38Å; L274-E277 PolarHBondContact O-N 2.83Å; E277-R279 VanDerWaalsContact C-N 3.25Å; E277-R279 PolarHBondContact O-N 3.29Å; E277-T280 PolarHBondContact O-N 2.82Å; E277-T280 PolarHBondContact O-OG1 2.83Å |
| 278 | D | 48.2 | Very low | 53.3 | Low | 145 Ų | 145 | 102 Ų | 102 | 78% | 0.775 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -13.5 | 174.8 | -151 | 31.8 | 0 | 0 | 0 | 113.8 | L274 E276 | L274-D278 PolarHBondContact O-N 2.86Å; E276-D278 VanDerWaalsContact C-N 3.28Å; E276-D278 PolarHBondContact O-N 3.38Å |
| 279 | R | 46.7 | Very low | 50.7 | Low | 185 Ų | 185 | 113.5 Ų | 113.5 | 70% | 0.698 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -16.2 | 176.9 | -72 | -177.7 | 175.9 | 169.9 | 0.7 | 114.1 | E276 E277 | E276-R279 PolarHBondContact O-N 3.32Å; E277-R279 VanDerWaalsContact C-N 3.25Å; E277-R279 PolarHBondContact O-N 3.29Å |
| 280 | T | 43.5 | Very low | 48.2 | Very low | 120 Ų | 120 | 113.9 Ų | 113.9 | 74% | 0.736 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -85.3 | -8.1 | 173.6 | 24.3 | 0 | 0 | 0 | 0 | 114.2 | E276 E277 | E276-T280 PolarHBondContact O-N 3.33Å; E276-T280 VanDerWaalsContact O-N 3.17Å; E276-T280 PolarHBondContact O-OG1 3.44Å; E277-T280 PolarHBondContact O-N 2.82Å; E277-T280 PolarHBondContact O-OG1 2.83Å |
| 281 | G | 42.8 | Very low | 45.9 | Very low | 65 Ų | 65 | 117.1 Ų | 117.1 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -81.7 | -21 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 282 | E | 40 | Very low | 43.8 | Very low | 175 Ų | 175 | 118.5 Ų | 118.5 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | -137.8 | 91.7 | -175.1 | -71.5 | -169.7 | 153.1 | 0 | 0 | 111.8 | ||||
| 283 | R | 34.2 | Very low | 42.1 | Very low | 172 Ų | 172 | 120.4 Ų | 120.4 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | trans | -139.7 | 105.5 | 152.2 | -170.3 | 64.2 | -173.5 | -174.9 | -2.7 | 112.5 | V286 | R283-V286 VanDerWaalsContact CZ-O 3.31Å; R283-V286 PolarHBondContact NH1-O 3.23Å; R283-V286 VanDerWaalsContact NH2-CA 3.35Å; R283-V286 PolarHBondContact NH2-O 3.24Å | ||
| 284 | S | 31.7 | Very low | 40.6 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -140.4 | 117.4 | 136.2 | -159.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 285 | T | 36.9 | Very low | 39.2 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 70.6 | 133.5 | 170.5 | 82.2 | 0 | 0 | 0 | 0 | 114 | ||
| 286 | V | 33.4 | Very low | 38.4 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | cis | -146.5 | 159.3 | 20.7 | 172.3 | 0 | 0 | 0 | 0 | 108.9 | R283 | R283-V286 VanDerWaalsContact CZ-O 3.31Å; R283-V286 PolarHBondContact NH1-O 3.23Å; R283-V286 VanDerWaalsContact NH2-CA 3.35Å; R283-V286 PolarHBondContact NH2-O 3.24Å | ||
| 287 | A | 32.9 | Very low | 37.1 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | trans | -46.1 | 142.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 288 | S | 34.3 | Very low | 36.1 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 7.7 | 129 | 143.7 | -43.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 289 | R | 33.3 | Very low | 35.6 | Very low | 250 Ų | 250 | 137.8 Ų | 137.8 | 94% | 0.943 | 76% | 0.759 | S | S | * | * | -177.5 | 124.5 | 121.1 | -97.1 | 171 | 122.6 | -154.7 | -7 | 111.8 | |||||
| 290 | S | 31.3 | Very low | 34.8 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 149.1 | 175.5 | -40.5 | 0 | 0 | 0 | 0 | 112 | ||
| 291 | P | 32.2 | Very low | 34.4 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 118.1 | 164.8 | 30.9 | -22.9 | 0 | 0 | 0 | 110.4 | ||
| 292 | T | 32.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 142.1 | 168.1 | -40.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 293 | A | 39.6 | Very low | 33.6 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 141.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 294 | P | 35.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 119 | 166.8 | 18.6 | -4.8 | 0 | 0 | 0 | 111.4 | ||
| 295 | Q | 30.9 | Very low | 33.4 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 156.3 | 157.2 | -88.5 | -155.8 | -20 | 0 | 0 | 111.5 | ||
| 296 | T | 36.6 | Very low | 33.1 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -37.3 | 131.4 | 159.8 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 297 | D | 27.8 | Very low | 33.2 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | 176.9 | 164.4 | 109.4 | -132.8 | -42.5 | 0 | 0 | 0 | 112.4 | |||||
| 298 | R | 32.6 | Very low | 33.5 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -61.7 | 148.7 | -167.2 | -76.3 | 170.2 | 158.3 | -179.4 | -6 | 118 | ||||
| 299 | H | 37.8 | Very low | 33.7 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | 70.4 | 105.4 | 143.7 | -57.3 | -16.7 | 0 | 0 | 0 | 120.7 | ||||
| 300 | K | 30.5 | Very low | 34.3 | Very low | 212 Ų | 212 | 141.8 Ų | 141.8 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | -161.7 | 136.9 | 123.9 | -121.1 | 172 | -177.2 | 177.2 | 0 | 112.1 | |||||
| 301 | R | 35.1 | Very low | 34.8 | Very low | 237 Ų | 237 | 142 Ų | 142 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | -81.5 | 133.9 | 178.6 | -176 | -174.2 | -158 | -154.2 | 8.3 | 110.4 | ||||
| 302 | S | 33.2 | Very low | 35.5 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -151.1 | 146.3 | 152 | 48.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 303 | K | 31.8 | Very low | 36.3 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -99.9 | 166.9 | -163.8 | -178.1 | 162.4 | 177.3 | 171.1 | 0 | 110.4 | ||||
| 304 | V | 28.8 | Very low | 37.5 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 91.4 | 130 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 305 | S | 33.9 | Very low | 39.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | cis | -172.3 | 145.7 | -8.8 | 47.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 306 | G | 30.6 | Very low | 40.8 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 157.6 | 67.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 307 | G | 34.7 | Very low | 41.7 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | -85 | 116 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 308 | T | 40.3 | Very low | 43.1 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -71.3 | 120.8 | 163.2 | -49.7 | 0 | 0 | 0 | 0 | 108.4 | I310 | T308-I310 PolarHBondContact O-N 3.42Š| ||
| 309 | T | 38 | Very low | 44.2 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -65.8 | 109.9 | -174.7 | -42.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 310 | I | 45.9 | Very low | 44.7 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | trans | -72.2 | 127.3 | 161.4 | -61 | 165.5 | 0 | 0 | 0 | 106.8 | T308 N312 | T308-I310 PolarHBondContact O-N 3.42Å; I310-N312 PolarHBondContact O-N 2.84Å | ||
| 311 | P | 41.4 | Very low | 45.7 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -67.8 | 110 | 177.1 | 26.6 | -31 | 0 | 0 | 0 | 109.1 | ||||
| 312 | N | 47.9 | Very low | 46.3 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | -90.2 | 123.2 | -179.9 | -156.4 | 4.7 | 0 | 0 | 0 | 109 | I310 Y314 | I310-N312 PolarHBondContact O-N 2.84Å; N312-Y314 PolarHBondContact O-N 2.85Å; N312-Y314 WeakPolarHBondContact OD1-CD2 3.17Å; N312-Y314 WeakPolarHBondContact OD1-CE2 3.38Å | ||
| 313 | N | 50.1 | Low | 47.2 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 87% | 0.872 | 73% | 0.726 | S | S | * | * | trans | -77.2 | 51.6 | -177 | -78.1 | -60.1 | 0 | 0 | 0 | 113 | ||||
| 314 | Y | 65.1 | Low | 48.1 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 55% | 0.553 | 73% | 0.727 | S | S | * | * | trans | -125.5 | 139.6 | 174.4 | -62.4 | -78.8 | 0 | 0 | 0 | 111.5 | N312 | N312-Y314 PolarHBondContact O-N 2.85Å; N312-Y314 WeakPolarHBondContact OD1-CD2 3.17Å; N312-Y314 WeakPolarHBondContact OD1-CE2 3.38Å | ||
| 315 | C | 70.1 | Confident | 48.8 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 45% | 0.446 | 72% | 0.721 | S | S | . | * | trans | -75.1 | 140.2 | 178.1 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | K317 C318 H319 | C315-K317 PolarHBondContact O-N 3.47Å; C315-C318 PolarHBondContact O-N 2.85Å; C315-H319 PolarHBondContact O-CD2 2.8Å | ||
| 316 | N | 63.9 | Low | 49.5 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -22.5 | 178.3 | -79.1 | -29.6 | 0 | 0 | 0 | 114.8 | ||
| 317 | K | 55.7 | Low | 50 | Low | 192 Ų | 192 | 128.9 Ų | 128.9 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -24.3 | 177.1 | -140.3 | 73.2 | 156.1 | -170.6 | 0 | 113.7 | C315 | C315-K317 PolarHBondContact O-N 3.47Š|
| 318 | C | 57.6 | Low | 50.5 | Low | 71 Ų | 71 | 131.5 Ų | 131.5 | 48% | 0.48 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -88.2 | -10.4 | -177.3 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | C315 G320 | C315-C318 PolarHBondContact O-N 2.85Å; C318-G320 PolarHBondContact O-N 3.32Å |
| 319 | H | 55.3 | Low | 50.3 | Low | 108 Ų | 108 | 128.3 Ų | 128.3 | 50% | 0.5 | 73% | 0.726 | S | S | . | * | G | 310 helix | trans | -72.9 | -12.6 | -178.6 | -79.6 | -87.6 | 0 | 0 | 0 | 114.3 | C315 | C315-H319 PolarHBondContact O-CD2 2.8Š|
| 320 | G | 49.8 | Very low | 50.4 | Low | 69 Ų | 69 | 127.4 Ų | 127.4 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -86.7 | -21.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | C318 | C318-G320 PolarHBondContact O-N 3.32Š|
| 321 | A | 50.6 | Low | 50.2 | Low | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -92.8 | -14.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 322 | N | 47.8 | Very low | 50.1 | Low | 128 Ų | 128 | 125.2 Ų | 125.2 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | trans | -102.3 | 24.4 | -165.7 | -146.2 | 5.7 | 0 | 0 | 0 | 116 | ||||
| 323 | R | 51.5 | Low | 49.9 | Very low | 231 Ų | 231 | 125.3 Ų | 125.3 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -92.7 | 5.5 | 175.9 | -66 | -160.8 | -161.1 | -122.8 | 6.2 | 115 | ||
| 324 | K | 50.3 | Low | 49.5 | Very low | 192 Ų | 192 | 121.5 Ų | 121.5 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -140.4 | 49.4 | -178 | -63.8 | -170.1 | -178.4 | -179 | 0 | 114.3 | ||
| 325 | T | 44.3 | Very low | 48.6 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | trans | -173.7 | 112.7 | 149.6 | 16.2 | 0 | 0 | 0 | 0 | 109 | K327 | T325-K327 PolarHBondContact O-N 2.84Å; T325-K327 VanDerWaalsContact O-N 3.07Å | ||
| 326 | G | 47.9 | Very low | 47.4 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -67.5 | 103.7 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 327 | K | 41 | Very low | 46.1 | Very low | 194 Ų | 194 | 121.5 Ų | 121.5 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | trans | -164.1 | 115.5 | 161.2 | -100.3 | 155 | -171.4 | -173.5 | 0 | 107.8 | T325 G329 | T325-K327 PolarHBondContact O-N 2.84Å; T325-K327 VanDerWaalsContact O-N 3.07Å; K327-G329 PolarHBondContact O-N 3.5Å | ||
| 328 | S | 46.4 | Very low | 45.2 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | -63.7 | 123 | 170.4 | 48 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 329 | G | 34.9 | Very low | 44.3 | Very low | 69 Ų | 69 | 121.6 Ų | 121.6 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -170.4 | 121 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | K327 | K327-G329 PolarHBondContact O-N 3.5Š| ||
| 330 | S | 40.9 | Very low | 43.1 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 39.3 | 138.8 | 162.8 | 69.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 331 | P | 40.8 | Very low | 42.1 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | -65.2 | 136.1 | 170.7 | -12.1 | 27.1 | 0 | 0 | 0 | 111.8 | A333 | P331-A333 PolarHBondContact O-N 3.34Å; P331-A333 VanDerWaalsContact O-N 3.17Å | ||
| 332 | C | 40.1 | Very low | 41.1 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | -64.2 | 109 | 179.8 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | A334 | C332-A334 PolarHBondContact O-N 3.27Š| ||
| 333 | A | 42.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -82.9 | 12 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P331 | P331-A333 PolarHBondContact O-N 3.34Å; P331-A333 VanDerWaalsContact O-N 3.17Å |
| 334 | A | 43.2 | Very low | 39.7 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | -130 | 36.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | C332 Q336 | C332-A334 PolarHBondContact O-N 3.27Å; A334-Q336 PolarHBondContact O-N 3.13Å | ||
| 335 | C | 46.5 | Very low | 38.9 | Very low | 74 Ų | 74 | 121.5 Ų | 121.5 | 50% | 0.5 | 79% | 0.793 | S | S | . | * | trans | -93.3 | 89.2 | 171.4 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | C337 | C335-C337 PolarHBondContact O-N 2.84Š| ||
| 336 | Q | 43.1 | Very low | 38.6 | Very low | 188 Ų | 188 | 122.6 Ų | 122.6 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -83.3 | 95 | 168.9 | -65.7 | -179.2 | 14.7 | 0 | 0 | 109.1 | A334 | A334-Q336 PolarHBondContact O-N 3.13Š| ||
| 337 | C | 36.7 | Very low | 37.9 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 68% | 0.676 | 79% | 0.79 | S | S | * | * | trans | -126.7 | 82.5 | 168.4 | -67.5 | 0 | 0 | 0 | 0 | 108.8 | C335 | C335-C337 PolarHBondContact O-N 2.84Š| ||
| 338 | T | 37 | Very low | 37.4 | Very low | 124 Ų | 124 | 120.7 Ų | 120.7 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -116.1 | 109.9 | 162 | 51 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 339 | T | 40 | Very low | 36.8 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | 38.3 | 113 | 139.1 | 56.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 340 | G | 30.3 | Very low | 36.5 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -134.9 | 146.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 341 | G | 28.4 | Very low | 36.2 | Very low | 85 Ų | 85 | 126.6 Ų | 126.6 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | cis | -174.6 | 165.7 | 2.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 342 | G | 28.5 | Very low | 35.5 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -178.8 | 105.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 343 | E | 36 | Very low | 35.2 | Very low | 190 Ų | 190 | 126 Ų | 126 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -71.8 | 153.6 | -172.2 | -58.9 | 165.5 | 135 | 0 | 0 | 112.7 | ||||
| 344 | E | 34.1 | Very low | 35.1 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -171.4 | 135.2 | 130.9 | -100.8 | 169.2 | -158.9 | 0 | 0 | 112.2 | ||||
| 345 | K | 34.7 | Very low | 35.3 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | trans | -60.2 | 169 | 172.8 | -86.7 | 170.6 | 150.5 | -147.2 | 0 | 112.6 | ||||
| 346 | E | 37 | Very low | 35.1 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 63% | 0.626 | 82% | 0.823 | S | S | * | * | cis | -168.3 | 153.4 | 19.2 | -122 | 158.9 | -155.4 | 0 | 0 | 109.2 | ||||
| 347 | D | 33.3 | Very low | 34.9 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | 53.6 | 132.6 | 145.1 | -57.4 | -19.6 | 0 | 0 | 0 | 125.7 | ||||
| 348 | G | 30.8 | Very low | 34.9 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | 166.5 | 74 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 349 | T | 33.9 | Very low | 35.1 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 83% | 0.828 | 83% | 0.83 | S | S | * | * | trans | -67 | 134 | 169.8 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 350 | F | 29.1 | Very low | 35 | Very low | 214 Ų | 214 | 137.2 Ų | 137.2 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -164.6 | 142.6 | 136.1 | -110.7 | -78.1 | 0 | 0 | 0 | 111.4 | ||||
| 351 | A | 33.3 | Very low | 35.5 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | -91.3 | 169.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 352 | A | 27.8 | Very low | 36.2 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 76.6 | 112.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 353 | A | 32.5 | Very low | 36.8 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | 172 | 112.4 | 103.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 354 | E | 40.6 | Very low | 36.7 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -70 | 169.8 | 157.7 | -72.5 | -161.1 | 142.8 | 0 | 0 | 110.3 | ||||
| 355 | E | 47.7 | Very low | 36.9 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 91.1 | 88.4 | 177.8 | -57.8 | -162.7 | 159.3 | 0 | 0 | 116.6 | ||||
| 356 | L | 42.8 | Very low | 37.4 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | trans | -153.5 | 137.1 | 143 | -145.3 | 63.5 | 0 | 0 | 0 | 111 | ||||
| 357 | F | 39.4 | Very low | 37.7 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | 93.5 | 69.1 | 172.8 | -46.1 | -67 | 0 | 0 | 0 | 117.3 | ||||
| 358 | G | 35.9 | Very low | 37.6 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | 62.3 | 103.1 | 89.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 359 | T | 41.4 | Very low | 38.1 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -70.3 | 119.3 | 161.6 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 360 | T | 38.6 | Very low | 38.2 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -151.1 | 115.9 | 152.4 | 53.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 361 | S | 39.3 | Very low | 38.4 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | 102.2 | 123.3 | 86 | -161.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 362 | E | 44.6 | Very low | 38.9 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -46.7 | 148.1 | 170.5 | 60 | -141.8 | 105.7 | 0 | 0 | 115.8 | ||||
| 363 | S | 39.7 | Very low | 39.3 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 170.5 | 133.2 | 133.3 | -66.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 364 | D | 35.1 | Very low | 39.7 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | 64.3 | 90.6 | 147.7 | -61.8 | -16.3 | 0 | 0 | 0 | 122.6 | ||||
| 365 | T | 38 | Very low | 39.7 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -98 | 98.1 | 149.7 | 59.9 | 0 | 0 | 0 | 0 | 110 | T367 | T365-T367 PolarHBondContact O-N 3.49Š| ||
| 366 | S | 45.2 | Very low | 39.4 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -63.1 | 123.5 | 171.1 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 367 | T | 42.9 | Very low | 39.2 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | trans | -87.6 | 111.4 | 170.9 | -67.5 | 0 | 0 | 0 | 0 | 108.2 | T365 H369 | T365-T367 PolarHBondContact O-N 3.49Å; T367-H369 PolarHBondContact O-N 2.84Å | ||
| 368 | F | 31.2 | Very low | 39.2 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -71.3 | 107.8 | 170.7 | -179.2 | -102 | 0 | 0 | 0 | 109.1 | F371 | F368-F371 HydrophobicContact CE2-CE2 4.18Å; F368-F371 HydrophobicContact CZ-CD2 4.29Å; F368-F371 HydrophobicContact CZ-CE2 4.04Å | ||
| 369 | H | 42.2 | Very low | 39.5 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 73% | 0.731 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 134.7 | 165.9 | -86.3 | 10.3 | 0 | 0 | 0 | 109.5 | T367 | T367-H369 PolarHBondContact O-N 2.84Š|
| 370 | G | 34 | Very low | 39.1 | Very low | 57 Ų | 57 | 142.7 Ų | 142.7 | 59% | 0.588 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 144.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E372 | G370-E372 PolarHBondContact O-N 2.94Š|
| 371 | F | 34.5 | Very low | 38.9 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 118.2 | 169.8 | -72.7 | -93.9 | 0 | 0 | 0 | 108.5 | F368 | F368-F371 HydrophobicContact CE2-CE2 4.18Å; F368-F371 HydrophobicContact CZ-CD2 4.29Å; F368-F371 HydrophobicContact CZ-CE2 4.04Å |
| 372 | E | 42.6 | Very low | 38.6 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 123.4 | 162.5 | -63.7 | 176.9 | 146.9 | 0 | 0 | 106.4 | G370 D374 | G370-E372 PolarHBondContact O-N 2.94Å; E372-D374 PolarHBondContact O-N 3.45Å |
| 373 | D | 37.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -70.8 | 106.8 | 171.1 | -68.9 | -55.5 | 0 | 0 | 0 | 108.1 | ||||
| 374 | D | 40.3 | Very low | 37.7 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -89.2 | 104 | 169.3 | -103.3 | -37.8 | 0 | 0 | 0 | 109.2 | E372 | E372-D374 PolarHBondContact O-N 3.45Š| ||
| 375 | D | 40.6 | Very low | 37.7 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -63.8 | 129.2 | 168.7 | -84.4 | -54.9 | 0 | 0 | 0 | 110.8 | E377 | D375-E377 PolarHBondContact O-N 3.16Š| ||
| 376 | L | 40.4 | Very low | 37.4 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -63.9 | 118.9 | 171.2 | -78.9 | 155.4 | 0 | 0 | 0 | 111.2 | ||||
| 377 | E | 39.3 | Very low | 37.1 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -135.1 | 108.7 | 156.9 | -161 | 167.3 | -159.7 | 0 | 0 | 111 | D375 | D375-E377 PolarHBondContact O-N 3.16Š| ||
| 378 | E | 39.3 | Very low | 36.8 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -77.3 | 141.9 | 163.9 | -155.4 | -166.2 | 142.1 | 0 | 0 | 108.2 | ||||
| 379 | P | 42.7 | Very low | 37.1 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | -145.5 | 160.8 | 102 | 32.9 | -14.6 | 0 | 0 | 0 | 115.6 | |||||
| 380 | A | 33.6 | Very low | 37 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | -58.8 | 157.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 381 | A | 32.9 | Very low | 37.2 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 77.4 | 115.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 382 | A | 33.6 | Very low | 37.5 | Very low | 86 Ų | 86 | 148.9 Ų | 148.9 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | 134.7 | 118 | 118.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 383 | N | 33.3 | Very low | 37.2 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 70.8 | 105.6 | 136.7 | -65.5 | -8.1 | 0 | 0 | 0 | 121 | ||||
| 384 | S | 31.8 | Very low | 37.2 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | 68 | 128.5 | 120.9 | 74.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 385 | N | 34.7 | Very low | 37 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | 76 | 117.2 | 140.1 | -63.8 | -13.3 | 0 | 0 | 0 | 118.5 | ||||
| 386 | G | 33.1 | Very low | 36.8 | Very low | 64 Ų | 64 | 145.6 Ų | 145.6 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | 128.6 | 100.7 | 116.4 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 387 | I | 39.3 | Very low | 36.6 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | trans | 20.3 | 120.4 | 130.4 | 34.3 | 166.5 | 0 | 0 | 0 | 117.5 | ||||
| 388 | S | 36.1 | Very low | 36.4 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | 178.2 | 134.6 | 101.6 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 389 | S | 37.5 | Very low | 36.2 | Very low | 89 Ų | 89 | 138.8 Ų | 138.8 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | trans | -42 | 146.1 | 159 | 56.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 390 | R | 40.4 | Very low | 35.7 | Very low | 223 Ų | 223 | 140 Ų | 140 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | 156.2 | 129.9 | 110.9 | -90.5 | -179.8 | 174.1 | -178.8 | -2.5 | 112.4 | |||||
| 391 | H | 38.5 | Very low | 35.9 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | trans | 23.9 | 122.8 | 137.7 | -76.7 | -74.5 | 0 | 0 | 0 | 119 | ||||
| 392 | R | 39.8 | Very low | 36.2 | Very low | 313 Ų | 313 | 149.3 Ų | 149.3 | 100% | 1.181 | 80% | 0.801 | S | S | * | * | -158.8 | 0 | 88.9 | -154.6 | 176.6 | -165.6 | 174.8 | 3.6 | 111.2 |
Retrieved 392 of 392 residues in 521.1 ms
(Link to these results)