| 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 | 37.4 | Very low | 48.4 | Very low | 239 Ų | 239 | 147 Ų | 147 | 100% | 1.177 | 75% | 0.751 | S | S | * | * | 0 | 65.2 | 0 | -71.7 | -71.2 | -158.9 | 0 | 0 | 110.6 | |||||
| 2 | L | 38.1 | Very low | 48.4 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | trans | -137.1 | 45.8 | -177.3 | -78.1 | 170.3 | 0 | 0 | 0 | 112.6 | ||||
| 3 | T | 47.7 | Very low | 49.3 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -129.9 | 70.2 | 177.4 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | N | 48.2 | Very low | 49.4 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -155.3 | 14.5 | 160.8 | -126.3 | -15 | 0 | 0 | 0 | 117 | S7 | N4-S7 PolarHBondContact OD1-OG 3.23Š|
| 5 | Q | 47.5 | Very low | 49.2 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -99.2 | -22.3 | 178.6 | -73.7 | -177.8 | -17.8 | 0 | 0 | 114.4 | ||
| 6 | K | 52 | Low | 48.8 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -78.7 | -23.4 | -179.9 | -81.3 | -173.9 | 176.6 | -178 | 0 | 114.6 | ||
| 7 | S | 50.4 | Low | 49 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 50% | 0.503 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -74.8 | -23.6 | -178.8 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | N4 | N4-S7 PolarHBondContact OD1-OG 3.23Š|
| 8 | Q | 50.6 | Low | 48.8 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -75.6 | -22.6 | -179 | -67.2 | -148.6 | -19 | 0 | 0 | 113.8 | F10 N14 | Q8-F10 VanDerWaalsContact C-N 3.29Å; Q8-F10 PolarHBondContact O-N 3.14Å; Q8-N14 PolarHBondContact O-ND2 3.35Å |
| 9 | L | 50.1 | Low | 48.6 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -72.2 | -22.7 | 178 | -69.7 | 178 | 0 | 0 | 0 | 113.1 | ||
| 10 | F | 53.4 | Low | 48.1 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 77% | 0.772 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -107.5 | 26.1 | -178.7 | -70 | -80.3 | 0 | 0 | 0 | 113.3 | Q8 | Q8-F10 VanDerWaalsContact C-N 3.29Å; Q8-F10 PolarHBondContact O-N 3.14Å |
| 11 | S | 57.6 | Low | 47.5 | Very low | 57 Ų | 57 | 134 Ų | 134 | 40% | 0.399 | 68% | 0.684 | S | S | . | * | trans | -79.2 | 133.8 | 171.4 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | E13 N14 | S11-E13 PolarHBondContact O-N 3.19Å; S11-N14 WeakPolarHBondContact O-CB 3.46Å; S11-N14 PolarHBondContact O-N 3.41Å | ||
| 12 | I | 47.9 | Very low | 47.4 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 66% | 0.662 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -52.4 | -31.8 | -178.4 | -64.7 | 172.6 | 0 | 0 | 0 | 111.8 | N14 I15 L16 | I12-N14 VanDerWaalsContact C-N 3.3Å; I12-N14 PolarHBondContact O-N 3.13Å; I12-I15 PolarHBondContact O-N 3.43Å; I12-L16 HydrophobicContact CG2-CD1 4.01Å; I12-L16 PolarHBondContact O-N 2.8Å |
| 13 | E | 60.2 | Low | 47.3 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -55.8 | -35.7 | 172.9 | -78.7 | -86.7 | 154.4 | 0 | 0 | 113.9 | S11 K17 | S11-E13 PolarHBondContact O-N 3.19Å; E13-K17 PolarHBondContact O-N 3.25Å |
| 14 | N | 50 | Low | 46.6 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 34% | 0.342 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -78.9 | -24.8 | -179.4 | -74.6 | -18.5 | 0 | 0 | 0 | 112.9 | Q8 S11 I12 | Q8-N14 PolarHBondContact O-ND2 3.35Å; S11-N14 WeakPolarHBondContact O-CB 3.46Å; S11-N14 PolarHBondContact O-N 3.41Å; I12-N14 VanDerWaalsContact C-N 3.3Å; I12-N14 PolarHBondContact O-N 3.13Å |
| 15 | I | 47.7 | Very low | 45.9 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 59% | 0.585 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.5 | -37.1 | 178.2 | -60.6 | 175 | 0 | 0 | 0 | 109.7 | I12 K17 Q18 | I12-I15 PolarHBondContact O-N 3.43Å; I15-K17 PolarHBondContact O-N 3.49Å; I15-Q18 PolarHBondContact O-N 2.94Å |
| 16 | L | 42.9 | Very low | 45 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 57% | 0.571 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70 | -27.2 | 177.3 | -78.5 | 155.5 | 0 | 0 | 0 | 113.7 | I12 S19 | I12-L16 HydrophobicContact CG2-CD1 4.01Å; I12-L16 PolarHBondContact O-N 2.8Å; L16-S19 PolarHBondContact O-OG 3.43Å |
| 17 | K | 51.6 | Low | 44.2 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -16.2 | 178.3 | -72.7 | -177.3 | -178.2 | 178.9 | 0 | 114.3 | E13 I15 | E13-K17 PolarHBondContact O-N 3.25Å; I15-K17 PolarHBondContact O-N 3.49Å |
| 18 | Q | 44.8 | Very low | 43.5 | Very low | 153 Ų | 153 | 134 Ų | 134 | 72% | 0.715 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -13.6 | 179.5 | -69.7 | -179.8 | 35.2 | 0 | 0 | 113 | I15 D20 | I15-Q18 PolarHBondContact O-N 2.94Å; Q18-D20 VanDerWaalsContact C-N 3.34Å; Q18-D20 PolarHBondContact O-N 3.5Å |
| 19 | S | 45.1 | Very low | 42.6 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 52% | 0.517 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -79.1 | -8.7 | -176.9 | 44.1 | 0 | 0 | 0 | 0 | 115.2 | L16 N21 | L16-S19 PolarHBondContact O-OG 3.43Å; S19-N21 PolarHBondContact O-N 3.45Å; S19-N21 VanDerWaalsContact O-N 3.13Å |
| 20 | D | 38.4 | Very low | 41.8 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -74.5 | 3.5 | -179.5 | -72.3 | -23.6 | 0 | 0 | 0 | 114.6 | Q18 | Q18-D20 VanDerWaalsContact C-N 3.34Å; Q18-D20 PolarHBondContact O-N 3.5Å |
| 21 | N | 36.9 | Very low | 40.9 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -117.8 | 8.2 | -175.6 | -82.9 | -32.9 | 0 | 0 | 0 | 116.6 | S19 N23 | S19-N21 PolarHBondContact O-N 3.45Å; S19-N21 VanDerWaalsContact O-N 3.13Å; N21-N23 PolarHBondContact O-N 3.45Å |
| 22 | F | 35 | Very low | 39.9 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | -99.7 | 87.9 | 174.3 | -87.9 | -85.3 | 0 | 0 | 0 | 112.1 | H24 | F22-H24 PolarHBondContact O-N 3.48Š| ||
| 23 | N | 35.8 | Very low | 39.6 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -53.3 | 125.3 | 168.2 | -81.1 | -53 | 0 | 0 | 0 | 111.3 | N21 S25 | N21-N23 PolarHBondContact O-N 3.45Å; N23-S25 PolarHBondContact O-N 3.13Å | ||
| 24 | H | 33.6 | Very low | 38.4 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | trans | -59.5 | 114.4 | 171.1 | -85.9 | 10 | 0 | 0 | 0 | 111.7 | F22 | F22-H24 PolarHBondContact O-N 3.48Š| ||
| 25 | S | 31.7 | Very low | 37.7 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -113 | 103.4 | 159.4 | 37.7 | 0 | 0 | 0 | 0 | 110 | N23 | N23-S25 PolarHBondContact O-N 3.13Š| ||
| 26 | N | 30.2 | Very low | 37.1 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 24.8 | 98.4 | 148.1 | -75.2 | -31.3 | 0 | 0 | 0 | 117.7 | ||||
| 27 | I | 34.2 | Very low | 36.6 | Very low | 167 Ų | 167 | 152 Ų | 152 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -102.1 | 108.1 | 149.8 | -68 | 173 | 0 | 0 | 0 | 106.4 | Q29 | I27-Q29 PolarHBondContact O-N 3.29Š| ||
| 28 | N | 35.2 | Very low | 35.7 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -56.3 | 129.8 | 177.5 | -94 | -35.3 | 0 | 0 | 0 | 110.7 | ||||
| 29 | Q | 31.7 | Very low | 34.9 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -62.1 | 132.4 | 160 | -61.7 | 170.3 | -12.3 | 0 | 0 | 108 | I27 | I27-Q29 PolarHBondContact O-N 3.29Š| ||
| 30 | N | 34.2 | Very low | 34.7 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 158.1 | 74.5 | 146.4 | -75.2 | -16.2 | 0 | 0 | 0 | 108.7 | ||||
| 31 | D | 35.5 | Very low | 35.2 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -136.9 | 92.2 | 154 | -92.3 | -31.8 | 0 | 0 | 0 | 106.3 | T33 | D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 2.98Å; D31-T33 PolarHBondContact O-OG1 3.48Å | ||
| 32 | E | 35.1 | Very low | 35.8 | Very low | 196 Ų | 196 | 154.3 Ų | 154.3 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -58.6 | 92.6 | 169.9 | -67.3 | -171.9 | 152.2 | 0 | 0 | 108.3 | E34 | E32-E34 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.36Å | ||
| 33 | T | 41.5 | Very low | 35.9 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -78.1 | 90.6 | 175.1 | -43.4 | 0 | 0 | 0 | 0 | 107.5 | D31 L35 | D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 2.98Å; D31-T33 PolarHBondContact O-OG1 3.48Å; T33-L35 PolarHBondContact O-N 2.96Å; T33-L35 VanDerWaalsContact O-N 3.11Å | ||
| 34 | E | 35.5 | Very low | 35.9 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -53.1 | 112.1 | 173.5 | -104.2 | -175.8 | 155.1 | 0 | 0 | 110.8 | E32 F36 | E32-E34 VanDerWaalsContact C-N 3.34Å; E32-E34 PolarHBondContact O-N 3.36Å; E34-F36 PolarHBondContact O-N 2.92Å | ||
| 35 | L | 35.9 | Very low | 36.2 | Very low | 153 Ų | 153 | 154.3 Ų | 154.3 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -77.9 | 100.2 | 176.2 | -169.6 | 107.1 | 0 | 0 | 0 | 109.2 | T33 T37 | T33-L35 PolarHBondContact O-N 2.96Å; T33-L35 VanDerWaalsContact O-N 3.11Å; L35-T37 PolarHBondContact O-N 3.28Å | ||
| 36 | F | 33.6 | Very low | 36.5 | Very low | 187 Ų | 187 | 156.4 Ų | 156.4 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | trans | -59.7 | 107.8 | 172.7 | -84.8 | -89.2 | 0 | 0 | 0 | 111.1 | E34 I38 | E34-F36 PolarHBondContact O-N 2.92Å; F36-I38 PolarHBondContact O-N 3.49Å | ||
| 37 | T | 32.4 | Very low | 37.1 | Very low | 118 Ų | 118 | 156.6 Ų | 156.6 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -82.7 | 109.2 | 172 | -64.1 | 0 | 0 | 0 | 0 | 109.2 | L35 Q39 | L35-T37 PolarHBondContact O-N 3.28Å; T37-Q39 PolarHBondContact O-N 3.01Å | ||
| 38 | I | 34.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 154.7 Ų | 154.7 | 65% | 0.646 | 79% | 0.785 | S | S | * | * | trans | -79.5 | 98.6 | 174.8 | -56.8 | 173.7 | 0 | 0 | 0 | 108.2 | F36 Y40 | F36-I38 PolarHBondContact O-N 3.49Å; I38-Y40 HydrophobicContact CB-CE2 4.44Å; I38-Y40 HydrophobicContact CG2-CD2 3.98Å; I38-Y40 HydrophobicContact CG2-CE2 3.61Å; I38-Y40 PolarHBondContact O-N 3.12Å | ||
| 39 | Q | 27.6 | Very low | 38.1 | Very low | 179 Ų | 179 | 158.6 Ų | 158.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -80.9 | 101 | 172.7 | -172.1 | 174.2 | -21.2 | 0 | 0 | 109.3 | T37 | T37-Q39 PolarHBondContact O-N 3.01Š| ||
| 40 | Y | 41.1 | Very low | 38.9 | Very low | 185 Ų | 185 | 159 Ų | 159 | 73% | 0.725 | 78% | 0.783 | S | S | * | * | trans | -71.6 | 133.5 | 169.5 | -76.2 | -84 | 0 | 0 | 0 | 109.6 | I38 S42 | I38-Y40 HydrophobicContact CB-CE2 4.44Å; I38-Y40 HydrophobicContact CG2-CD2 3.98Å; I38-Y40 HydrophobicContact CG2-CE2 3.61Å; I38-Y40 PolarHBondContact O-N 3.12Å; Y40-S42 PolarHBondContact O-N 3.29Å | ||
| 41 | P | 49.3 | Very low | 39.8 | Very low | 117 Ų | 117 | 155.1 Ų | 155.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -61.4 | 107.7 | 172.4 | -17.9 | 29.8 | 0 | 0 | 0 | 109 | ||||
| 42 | S | 47.6 | Very low | 40.8 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | -64.5 | 135.1 | 173.6 | -156.5 | 0 | 0 | 0 | 0 | 108.1 | Y40 | Y40-S42 PolarHBondContact O-N 3.29Š| ||
| 43 | D | 38.7 | Very low | 41.7 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | 104.5 | 36.5 | 157.5 | -46.2 | -18.3 | 0 | 0 | 0 | 119.4 | K45 | D43-K45 PolarHBondContact O-N 2.93Š| ||
| 44 | Y | 34.6 | Very low | 42.7 | Very low | 214 Ų | 214 | 147.5 Ų | 147.5 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | trans | -71.3 | 71.5 | 154.3 | 69.8 | -86.7 | 0 | 0 | 0 | 111 | L46 | Y44-L46 PolarHBondContact O-N 3.26Š| ||
| 45 | K | 41.3 | Very low | 44 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -80.8 | 99.5 | 159.4 | -85.8 | -178.9 | 177 | 173.7 | 0 | 107.5 | D43 N47 | D43-K45 PolarHBondContact O-N 2.93Å; K45-N47 VanDerWaalsContact C-N 3.29Å; K45-N47 PolarHBondContact O-N 3.06Å | ||
| 46 | L | 37.4 | Very low | 45.1 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | -58.9 | 93 | 167.2 | -88.4 | 159.8 | 0 | 0 | 0 | 108.8 | Y44 V48 | Y44-L46 PolarHBondContact O-N 3.26Å; L46-V48 HydrophobicContact CB-CG2 4.32Å; L46-V48 PolarHBondContact O-N 3.21Å | ||
| 47 | N | 41.7 | Very low | 46.4 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | -72.6 | 81.5 | 172 | -95.1 | -28.2 | 0 | 0 | 0 | 108.9 | K45 R49 | K45-N47 VanDerWaalsContact C-N 3.29Å; K45-N47 PolarHBondContact O-N 3.06Å; N47-R49 PolarHBondContact O-N 3.32Å | ||
| 48 | V | 40.5 | Very low | 47.6 | Very low | 127 Ų | 127 | 139 Ų | 139 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | trans | -78.8 | 68.7 | 171.8 | -168.8 | 0 | 0 | 0 | 0 | 108.4 | L46 R50 | L46-V48 HydrophobicContact CB-CG2 4.32Å; L46-V48 PolarHBondContact O-N 3.21Å; V48-R50 PolarHBondContact O-N 2.9Å | ||
| 49 | R | 51 | Low | 49 | Very low | 232 Ų | 232 | 135.9 Ų | 135.9 | 88% | 0.875 | 68% | 0.675 | S | S | * | * | trans | -72.1 | 108.8 | 164.7 | -161.4 | 156.3 | -171.3 | 131.9 | -1.5 | 106.1 | N47 V51 | N47-R49 PolarHBondContact O-N 3.32Å; R49-V51 PolarHBondContact O-N 2.87Å | ||
| 50 | R | 48.6 | Very low | 50.6 | Low | 177 Ų | 177 | 132.2 Ų | 132.2 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | trans | -58.5 | 108.1 | -178.2 | -156.5 | -164.1 | -75.4 | 177.2 | -5.1 | 108.4 | V48 V52 L58 | V48-R50 PolarHBondContact O-N 2.9Å; R50-V52 HydrophobicContact CB-CG1 4.48Å; R50-V52 HydrophobicContact CG-CG1 3.6Å; R50-V52 PolarHBondContact O-N 3.48Å; R50-L58 HydrophobicContact CG-CD2 4.19Å | ||
| 51 | V | 52.9 | Low | 51.6 | Low | 72 Ų | 72 | 126.9 Ų | 126.9 | 44% | 0.436 | 65% | 0.647 | S | S | . | * | trans | -84.2 | 94.3 | 170.1 | -177.3 | 0 | 0 | 0 | 0 | 105.9 | R49 | R49-V51 PolarHBondContact O-N 2.87Š| ||
| 52 | V | 55.7 | Low | 52.3 | Low | 56 Ų | 56 | 123.4 Ų | 123.4 | 34% | 0.339 | 63% | 0.626 | S | S | . | * | B | Isolated β-bridge | trans | -104.3 | 146.5 | 172.4 | -65.6 | 0 | 0 | 0 | 0 | 109.4 | R50 S57 L58 | R50-V52 HydrophobicContact CB-CG1 4.48Å; R50-V52 HydrophobicContact CG-CG1 3.6Å; R50-V52 PolarHBondContact O-N 3.48Å; V52-S57 WeakPolarHBondContact CA-O 3.49Å; V52-L58 HydrophobicContact CG1-CD2 4.49Å |
| 53 | D | 53.9 | Low | 53.1 | Low | 64 Ų | 64 | 122 Ų | 122 | 34% | 0.342 | 61% | 0.61 | S | S | . | * | trans | -78.8 | 179.6 | 167.9 | 62 | 19.3 | 0 | 0 | 0 | 111.8 | N55 N56 S57 | D53-N55 PolarHBondContact O-N 3.44Å; D53-N55 VanDerWaalsContact O-N 3.12Å; D53-N55 PolarHBondContact OD1-N 3.37Å; D53-N55 VanDerWaalsContact OD1-N 3.17Å; D53-N56 PolarHBondContact O-N 2.93Å; D53-N56 PolarHBondContact OD1-N 3.45Å; D53-S57 PolarHBondContact N-O 2.87Å; D53-S57 WeakPolarHBondContact OD1-CA 3.31Å; D53-S57 WeakPolarHBondContact OD1-CB 3.12Å; D53-S57 PolarHBondContact OD1-N 2.93Å; D53-S57 VanDerWaalsContact OD1-O 3.12Å | ||
| 54 | E | 63.9 | Low | 54.5 | Low | 201 Ų | 201 | 118 Ų | 118 | 94% | 0.939 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -20.6 | -179.2 | -63.7 | -177.6 | 170.7 | 0 | 0 | 113.5 | N56 | E54-N56 VanDerWaalsContact C-N 3.33Š|
| 55 | N | 61.1 | Low | 56 | Low | 147 Ų | 147 | 111.9 Ų | 111.9 | 79% | 0.786 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 13.4 | 176.4 | -65.7 | -42.4 | 0 | 0 | 0 | 112.6 | D53 S57 | D53-N55 PolarHBondContact O-N 3.44Å; D53-N55 VanDerWaalsContact O-N 3.12Å; D53-N55 PolarHBondContact OD1-N 3.37Å; D53-N55 VanDerWaalsContact OD1-N 3.17Å; N55-S57 PolarHBondContact O-N 3.3Å; N55-S57 VanDerWaalsContact O-N 3.16Å |
| 56 | N | 60.4 | Low | 57.5 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 60% | 0.599 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 58.1 | 23.7 | -179.2 | -160.8 | 31.1 | 0 | 0 | 0 | 113.4 | D53 E54 | D53-N56 PolarHBondContact O-N 2.93Å; D53-N56 PolarHBondContact OD1-N 3.45Å; E54-N56 VanDerWaalsContact C-N 3.33Å |
| 57 | S | 60 | Low | 59.2 | Low | 69 Ų | 69 | 110.1 Ų | 110.1 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | trans | -94.8 | 150.4 | 172.8 | -167.2 | 0 | 0 | 0 | 0 | 110 | V52 D53 N55 N59 | V52-S57 WeakPolarHBondContact CA-O 3.49Å; D53-S57 PolarHBondContact N-O 2.87Å; D53-S57 WeakPolarHBondContact OD1-CA 3.31Å; D53-S57 WeakPolarHBondContact OD1-CB 3.12Å; D53-S57 PolarHBondContact OD1-N 2.93Å; D53-S57 VanDerWaalsContact OD1-O 3.12Å; N55-S57 PolarHBondContact O-N 3.3Å; N55-S57 VanDerWaalsContact O-N 3.16Å; S57-N59 PolarHBondContact O-N 3.41Å | ||
| 58 | L | 57.7 | Low | 60.1 | Low | 115 Ų | 115 | 110.2 Ų | 110.2 | 60% | 0.602 | 56% | 0.557 | S | S | * | * | B | Isolated β-bridge | trans | -71.6 | 116.2 | 179.5 | -69.7 | 168.7 | 0 | 0 | 0 | 109.3 | R50 V52 E60 | R50-L58 HydrophobicContact CG-CD2 4.19Å; V52-L58 HydrophobicContact CG1-CD2 4.49Å; L58-E60 VanDerWaalsContact C-N 3.26Å; L58-E60 PolarHBondContact O-N 2.88Å |
| 59 | N | 63.9 | Low | 61.3 | Low | 62 Ų | 62 | 108.8 Ų | 108.8 | 33% | 0.332 | 55% | 0.545 | S | S | . | . | trans | -78.3 | 79.5 | 172.5 | -174.8 | -7.7 | 0 | 0 | 0 | 109.9 | S57 S61 S62 | S57-N59 PolarHBondContact O-N 3.41Å; N59-S61 PolarHBondContact O-N 2.8Å; N59-S61 PolarHBondContact OD1-N 3.29Å; N59-S62 PolarHBondContact O-N 3.11Å; N59-S62 PolarHBondContact OD1-N 3.32Å; N59-S62 VanDerWaalsContact OD1-N 3.1Å | ||
| 60 | E | 60.3 | Low | 62 | Low | 102 Ų | 102 | 106.4 Ų | 106.4 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.5 | -39.6 | 177.6 | -108.9 | -177 | 157.4 | 0 | 0 | 112.2 | L58 S62 I63 Y64 | L58-E60 VanDerWaalsContact C-N 3.26Å; L58-E60 PolarHBondContact O-N 2.88Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 3.03Å; E60-I63 WeakPolarHBondContact O-CB 3.47Å; E60-I63 PolarHBondContact O-N 3.43Å; E60-Y64 HydrophobicContact CB-CD2 4.25Å; E60-Y64 HydrophobicContact CB-CE2 3.83Å; E60-Y64 HydrophobicContact CG-CE2 3.89Å; E60-Y64 WeakPolarHBondContact O-CD2 3.35Å; E60-Y64 PolarHBondContact O-N 2.91Å |
| 61 | S | 63.8 | Low | 62.4 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -32.6 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 113.5 | N59 I63 S65 | N59-S61 PolarHBondContact O-N 2.8Å; N59-S61 PolarHBondContact OD1-N 3.29Å; S61-I63 VanDerWaalsContact C-N 3.33Å; S61-S65 WeakPolarHBondContact O-CB 3.37Å; S61-S65 PolarHBondContact O-N 3.38Å; S61-S65 VanDerWaalsContact O-N 3.07Å; S61-S65 PolarHBondContact O-OG 2.93Å |
| 62 | S | 62.5 | Low | 62.4 | Low | 45 Ų | 45 | 104.2 Ų | 104.2 | 32% | 0.315 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.8 | -33.2 | 173.8 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | N59 E60 S65 K66 | N59-S62 PolarHBondContact O-N 3.11Å; N59-S62 PolarHBondContact OD1-N 3.32Å; N59-S62 VanDerWaalsContact OD1-N 3.1Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 3.03Å; S62-S65 WeakPolarHBondContact CA-OG 3.34Å; S62-S65 PolarHBondContact O-OG 2.97Å; S62-S65 VanDerWaalsContact O-OG 3.12Å; S62-K66 VanDerWaalsContact O-CB 3.28Å; S62-K66 WeakPolarHBondContact O-CB 3.45Å; S62-K66 PolarHBondContact O-N 3.24Å |
| 63 | I | 64.9 | Low | 62.4 | Low | 68 Ų | 68 | 107.4 Ų | 107.4 | 35% | 0.349 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71 | -47.4 | 177.7 | -58.6 | 175.6 | 0 | 0 | 0 | 109.8 | E60 S61 S65 K66 Y67 | E60-I63 WeakPolarHBondContact O-CB 3.47Å; E60-I63 PolarHBondContact O-N 3.43Å; S61-I63 VanDerWaalsContact C-N 3.33Å; I63-S65 PolarHBondContact O-N 3.34Å; I63-K66 PolarHBondContact O-N 2.8Å; I63-Y67 HydrophobicContact CG2-CD2 4.08Å; I63-Y67 HydrophobicContact CG2-CE2 4.29Å; I63-Y67 WeakPolarHBondContact O-CD2 3.13Å; I63-Y67 PolarHBondContact O-N 2.78Å |
| 64 | Y | 69.4 | Low | 62.6 | Low | 54 Ų | 54 | 109.6 Ų | 109.6 | 21% | 0.212 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -60.5 | -43.5 | 179 | -69.2 | -64 | 0 | 0 | 0 | 111.9 | E60 N68 L69 Q71 | E60-Y64 HydrophobicContact CB-CD2 4.25Å; E60-Y64 HydrophobicContact CB-CE2 3.83Å; E60-Y64 HydrophobicContact CG-CE2 3.89Å; E60-Y64 WeakPolarHBondContact O-CD2 3.35Å; E60-Y64 PolarHBondContact O-N 2.91Å; Y64-N68 CarbonylContact O-C 3.59Å; Y64-N68 WeakPolarHBondContact O-CA 3.32Å; Y64-N68 PolarHBondContact O-N 2.79Å; Y64-L69 WeakPolarHBondContact CB-O 3.32Å; Y64-L69 HydrophobicContact CD1-CB 3.8Å; Y64-L69 PolarHBondContact O-N 2.87Å; Y64-Q71 HydrophobicContact CD2-CB 4.48Å; Y64-Q71 HydrophobicContact CD2-CG 4.38Å; Y64-Q71 HydrophobicContact CE2-CG 4.24Å |
| 65 | S | 65.2 | Low | 62.1 | Low | 85 Ų | 85 | 106.6 Ų | 106.6 | 59% | 0.594 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.6 | -40.9 | 177.4 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | S61 S62 I63 Y67 N68 | S61-S65 WeakPolarHBondContact O-CB 3.37Å; S61-S65 PolarHBondContact O-N 3.38Å; S61-S65 VanDerWaalsContact O-N 3.07Å; S61-S65 PolarHBondContact O-OG 2.93Å; S62-S65 WeakPolarHBondContact CA-OG 3.34Å; S62-S65 PolarHBondContact O-OG 2.97Å; S62-S65 VanDerWaalsContact O-OG 3.12Å; I63-S65 PolarHBondContact O-N 3.34Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.22Å; S65-N68 PolarHBondContact O-N 3.32Å |
| 66 | K | 73.8 | Confident | 61.5 | Low | 151 Ų | 151 | 104.1 Ų | 104.1 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.7 | -37.4 | 178.8 | 178.1 | 176.6 | 176.9 | -177.7 | 0 | 113.2 | S62 I63 | S62-K66 VanDerWaalsContact O-CB 3.28Å; S62-K66 WeakPolarHBondContact O-CB 3.45Å; S62-K66 PolarHBondContact O-N 3.24Å; I63-K66 PolarHBondContact O-N 2.8Å |
| 67 | Y | 71.4 | Confident | 61.1 | Low | 145 Ų | 145 | 104.8 Ų | 104.8 | 57% | 0.569 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 8.5 | -178.2 | -63.9 | -71.9 | 0 | 0 | 0 | 113.2 | I63 S65 L69 | I63-Y67 HydrophobicContact CG2-CD2 4.08Å; I63-Y67 HydrophobicContact CG2-CE2 4.29Å; I63-Y67 WeakPolarHBondContact O-CD2 3.13Å; I63-Y67 PolarHBondContact O-N 2.78Å; S65-Y67 VanDerWaalsContact C-N 3.29Å; S65-Y67 PolarHBondContact O-N 3.22Å; Y67-L69 HydrophobicContact CD2-CD1 4.46Å; Y67-L69 HydrophobicContact CG-CD1 4.32Å; Y67-L69 PolarHBondContact O-N 2.99Å; Y67-L69 VanDerWaalsContact O-N 3.12Å |
| 68 | N | 62 | Low | 60.3 | Low | 159 Ų | 159 | 105.7 Ų | 105.7 | 85% | 0.85 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 32.9 | -177.4 | -130.6 | -1.1 | 0 | 0 | 0 | 112.8 | Y64 S65 | Y64-N68 CarbonylContact O-C 3.59Å; Y64-N68 WeakPolarHBondContact O-CA 3.32Å; Y64-N68 PolarHBondContact O-N 2.79Å; S65-N68 PolarHBondContact O-N 3.32Å |
| 69 | L | 64.3 | Low | 59.9 | Low | 97 Ų | 97 | 103 Ų | 103 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | trans | -84.1 | 129.6 | 176.3 | -71 | 155.3 | 0 | 0 | 0 | 107.6 | Y64 Y67 | Y64-L69 WeakPolarHBondContact CB-O 3.32Å; Y64-L69 HydrophobicContact CD1-CB 3.8Å; Y64-L69 PolarHBondContact O-N 2.87Å; Y67-L69 HydrophobicContact CD2-CD1 4.46Å; Y67-L69 HydrophobicContact CG-CD1 4.32Å; Y67-L69 PolarHBondContact O-N 2.99Å; Y67-L69 VanDerWaalsContact O-N 3.12Å | ||
| 70 | K | 67 | Low | 59.7 | Low | 182 Ų | 182 | 106 Ų | 106 | 79% | 0.791 | 54% | 0.536 | S | S | * | . | trans | -68 | 135.9 | 169.7 | -67.1 | -176.7 | 180 | -178.7 | 0 | 108.5 | L72 | K70-L72 PolarHBondContact O-N 3.49Š| ||
| 71 | Q | 55.4 | Low | 59.7 | Low | 130 Ų | 130 | 107.4 Ų | 107.4 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | trans | -63.9 | 106.5 | 165.4 | -165.9 | 172.7 | 19 | 0 | 0 | 106.2 | Y64 | Y64-Q71 HydrophobicContact CD2-CB 4.48Å; Y64-Q71 HydrophobicContact CD2-CG 4.38Å; Y64-Q71 HydrophobicContact CE2-CG 4.24Å | ||
| 72 | L | 54.4 | Low | 59.5 | Low | 73 Ų | 73 | 110.2 Ų | 110.2 | 38% | 0.382 | 54% | 0.541 | S | S | . | . | trans | -68 | 137.6 | 179 | -55.7 | 175.9 | 0 | 0 | 0 | 107.5 | K70 E76 L80 | K70-L72 PolarHBondContact O-N 3.49Å; L72-E76 HydrophobicContact CB-CB 4.07Å; L72-E76 HydrophobicContact CB-CG 4.3Å; L72-E76 HydrophobicContact CD1-CG 4.34Å; L72-E76 WeakPolarHBondContact CD2-OE2 3.23Å; L72-L80 HydrophobicContact CD1-CD1 4.44Å | ||
| 73 | D | 54.5 | Low | 59.2 | Low | 123 Ų | 123 | 112 Ų | 112 | 66% | 0.658 | 55% | 0.551 | S | S | * | * | trans | -52.7 | 146.7 | 176.8 | -83.6 | -47.5 | 0 | 0 | 0 | 109.6 | I75 E76 | D73-I75 PolarHBondContact O-N 2.8Å; D73-E76 PolarHBondContact O-N 3.38Å | ||
| 74 | P | 58.2 | Low | 58.8 | Low | 109 Ų | 109 | 115.6 Ų | 115.6 | 71% | 0.708 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -50.5 | -23.7 | -175.4 | -29.8 | 35.1 | 0 | 0 | 0 | 115 | ||
| 75 | I | 52.8 | Low | 57.7 | Low | 139 Ų | 139 | 119.8 Ų | 119.8 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.3 | -38.7 | 176.7 | -60.5 | 174.2 | 0 | 0 | 0 | 111.7 | D73 Q78 T79 | D73-I75 PolarHBondContact O-N 2.8Å; I75-Q78 PolarHBondContact O-N 2.81Å; I75-T79 WeakPolarHBondContact O-CG2 3.46Å |
| 76 | E | 50.5 | Low | 56.6 | Low | 95 Ų | 95 | 119.9 Ų | 119.9 | 44% | 0.444 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -77.8 | -29.8 | -174.6 | -168.7 | 175.3 | -162.2 | 0 | 0 | 112.3 | L72 D73 Q78 T79 L80 | L72-E76 HydrophobicContact CB-CB 4.07Å; L72-E76 HydrophobicContact CB-CG 4.3Å; L72-E76 HydrophobicContact CD1-CG 4.34Å; L72-E76 WeakPolarHBondContact CD2-OE2 3.23Å; D73-E76 PolarHBondContact O-N 3.38Å; E76-Q78 VanDerWaalsContact C-N 3.3Å; E76-Q78 PolarHBondContact O-N 3.29Å; E76-T79 PolarHBondContact O-OG1 2.78Å; E76-L80 HydrophobicContact CG-CD1 4.2Å; E76-L80 WeakPolarHBondContact O-CD1 3.29Å; E76-L80 PolarHBondContact O-N 3.45Å |
| 77 | Y | 50.5 | Low | 55.4 | Low | 125 Ų | 125 | 119.3 Ų | 119.3 | 49% | 0.49 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.4 | -33.4 | 174.3 | -172.7 | -103.8 | 0 | 0 | 0 | 112.7 | ||
| 78 | Q | 43.9 | Very low | 54.2 | Low | 88 Ų | 88 | 119.4 Ų | 119.4 | 41% | 0.411 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.5 | -35.4 | -178.2 | -134.1 | 75.9 | 12.7 | 0 | 0 | 112.2 | I75 E76 Y82 Y86 | I75-Q78 PolarHBondContact O-N 2.81Å; E76-Q78 VanDerWaalsContact C-N 3.3Å; E76-Q78 PolarHBondContact O-N 3.29Å; Q78-Y82 PolarHBondContact O-N 2.97Å; Q78-Y86 HydrophobicContact CB-CE2 3.92Å; Q78-Y86 HydrophobicContact CG-CE2 3.52Å; Q78-Y86 WeakPolarHBondContact CG-OH 3.31Å |
| 79 | T | 49.7 | Very low | 53.4 | Low | 60 Ų | 60 | 117.7 Ų | 117.7 | 37% | 0.368 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.2 | -34.1 | -179.8 | 59 | 0 | 0 | 0 | 0 | 112.6 | I75 E76 Y82 P83 | I75-T79 WeakPolarHBondContact O-CG2 3.46Å; E76-T79 PolarHBondContact O-OG1 2.78Å; T79-Y82 CarbonylContact O-C 3.51Å; T79-P83 VanDerWaalsContact O-CA 3.24Å; T79-P83 WeakPolarHBondContact O-CA 3.37Å |
| 80 | L | 59.5 | Low | 52.3 | Low | 124 Ų | 124 | 121.1 Ų | 121.1 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.6 | -32.4 | 177.4 | -94.1 | 114.6 | 0 | 0 | 0 | 113.6 | L72 E76 | L72-L80 HydrophobicContact CD1-CD1 4.44Å; E76-L80 HydrophobicContact CG-CD1 4.2Å; E76-L80 WeakPolarHBondContact O-CD1 3.29Å; E76-L80 PolarHBondContact O-N 3.45Å |
| 81 | K | 61 | Low | 51.2 | Low | 131 Ų | 131 | 118.8 Ų | 118.8 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -81.2 | -28.9 | -176.9 | -139.3 | -175.8 | -171 | -168.8 | 0 | 112.7 | ||
| 82 | Y | 58.4 | Low | 50.4 | Low | 132 Ų | 132 | 119.8 Ų | 119.8 | 52% | 0.518 | 60% | 0.595 | S | S | . | * | trans | -142.9 | 72.7 | -180 | -56.4 | -76.2 | 0 | 0 | 0 | 110.9 | Q78 T79 D84 Y85 | Q78-Y82 PolarHBondContact O-N 2.97Å; T79-Y82 CarbonylContact O-C 3.51Å; Y82-D84 PolarHBondContact O-N 2.73Å; Y82-D84 VanDerWaalsContact O-N 3.17Å; Y82-Y85 PolarHBondContact O-N 2.99Å; Y82-Y85 VanDerWaalsContact O-N 3.11Å | ||
| 83 | P | 56.7 | Low | 49.9 | Very low | 82 Ų | 82 | 127.1 Ų | 127.1 | 53% | 0.532 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.5 | -30.3 | -176.3 | 20.3 | -30.9 | 0 | 0 | 0 | 113.1 | T79 | T79-P83 VanDerWaalsContact O-CA 3.24Å; T79-P83 WeakPolarHBondContact O-CA 3.37Å |
| 84 | D | 56.2 | Low | 49.3 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -17.9 | -180 | -59.7 | -45.6 | 0 | 0 | 0 | 114.1 | Y82 | Y82-D84 PolarHBondContact O-N 2.73Å; Y82-D84 VanDerWaalsContact O-N 3.17Å |
| 85 | Y | 47.4 | Very low | 48.6 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 55% | 0.553 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -29.8 | -172.4 | -169.7 | -97.2 | 0 | 0 | 0 | 113 | Y82 | Y82-Y85 PolarHBondContact O-N 2.99Å; Y82-Y85 VanDerWaalsContact O-N 3.11Å |
| 86 | Y | 41.6 | Very low | 48.1 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 35% | 0.345 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -98.2 | 4 | -176.1 | -66.6 | -73.9 | 0 | 0 | 0 | 114.7 | Q78 N88 | Q78-Y86 HydrophobicContact CB-CE2 3.92Å; Q78-Y86 HydrophobicContact CG-CE2 3.52Å; Q78-Y86 WeakPolarHBondContact CG-OH 3.31Å; Y86-N88 PolarHBondContact O-N 3.48Å; Y86-N88 VanDerWaalsContact O-N 3.09Å |
| 87 | I | 47.3 | Very low | 47.7 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -67.7 | -4.5 | 171.9 | -74.6 | 168.1 | 0 | 0 | 0 | 112 | ||
| 88 | N | 47.7 | Very low | 47.2 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -140.9 | 32.5 | -173.9 | -153.5 | -9.7 | 0 | 0 | 0 | 116.9 | Y86 | Y86-N88 PolarHBondContact O-N 3.48Å; Y86-N88 VanDerWaalsContact O-N 3.09Å |
| 89 | Q | 43.5 | Very low | 47.7 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | trans | -136 | 24.7 | 174.9 | -67.1 | -167.5 | 29.9 | 0 | 0 | 116 | D91 | Q89-D91 VanDerWaalsContact C-N 3.27Å; Q89-D91 PolarHBondContact O-N 3.22Å | ||
| 90 | N | 42.2 | Very low | 47.4 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 91% | 0.909 | 69% | 0.689 | S | S | * | * | trans | -93 | 26.4 | 168.5 | -72.4 | -21.9 | 0 | 0 | 0 | 113.4 | ||||
| 91 | D | 44.6 | Very low | 47.2 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | trans | -96.2 | 82.4 | 158 | -158.5 | 5.5 | 0 | 0 | 0 | 108.2 | Q89 | Q89-D91 VanDerWaalsContact C-N 3.27Å; Q89-D91 PolarHBondContact O-N 3.22Å | ||
| 92 | H | 38.9 | Very low | 47 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 155.6 | 109.2 | 136.8 | -71.2 | -8.8 | 0 | 0 | 0 | 111.7 | ||
| 93 | R | 43.7 | Very low | 47.2 | Very low | 226 Ų | 226 | 146 Ų | 146 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 81.2 | 75 | 158.3 | -50.3 | -64.6 | -179.7 | 179.4 | -1.4 | 117.9 | ||
| 94 | H | 40.9 | Very low | 47.6 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | S | Bend | -169 | 119.4 | 124.1 | -96.5 | -41 | 0 | 0 | 0 | 112.5 | |||
| 95 | H | 42.8 | Very low | 48.2 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | trans | 69.5 | 93.9 | 160.5 | -58.2 | 90.3 | 0 | 0 | 0 | 119 | H97 | H95-H97 PolarHBondContact O-N 2.84Š| ||
| 96 | H | 43.9 | Very low | 49.3 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | -51.3 | 96.9 | 166.1 | -72.5 | -93.7 | 0 | 0 | 0 | 112.7 | H98 | H96-H98 AromaticContact CE1-NE2 3.88Å; H96-H98 AromaticContact ND1-CD2 3.74Å; H96-H98 AromaticContact ND1-NE2 3.2Å; H96-H98 PolarHBondContact ND1-NE2 3.45Å; H96-H98 VanDerWaalsContact ND1-NE2 3.2Å | ||
| 97 | H | 41.5 | Very low | 50.8 | Low | 187 Ų | 187 | 147.7 Ų | 147.7 | 87% | 0.866 | 70% | 0.697 | S | S | * | * | trans | -106 | 102.1 | 139.8 | -103.8 | 63.5 | 0 | 0 | 0 | 106.2 | H95 H99 | H95-H97 PolarHBondContact O-N 2.84Å; H97-H99 PolarHBondContact O-N 2.83Å | ||
| 98 | H | 40.7 | Very low | 52.2 | Low | 130 Ų | 130 | 147.2 Ų | 147.2 | 60% | 0.602 | 69% | 0.692 | S | S | * | * | trans | -66.8 | 75.7 | 168.6 | -82.8 | -72.9 | 0 | 0 | 0 | 108.8 | H96 Y100 | H96-H98 AromaticContact CE1-NE2 3.88Å; H96-H98 AromaticContact ND1-CD2 3.74Å; H96-H98 AromaticContact ND1-NE2 3.2Å; H96-H98 PolarHBondContact ND1-NE2 3.45Å; H96-H98 VanDerWaalsContact ND1-NE2 3.2Å; H98-Y100 VanDerWaalsContact C-N 3.34Å; H98-Y100 HydrophobicContact CB-CD2 4.4Å; H98-Y100 HydrophobicContact CB-CE2 4.02Å; H98-Y100 PolarHBondContact O-N 3.26Å; H98-Y100 VanDerWaalsContact O-N 3.17Å | ||
| 99 | H | 53.4 | Low | 53.7 | Low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.787 | 68% | 0.679 | S | S | * | * | trans | -73.8 | 98.9 | 157.8 | -160.7 | 78.4 | 0 | 0 | 0 | 105.5 | H97 E101 | H97-H99 PolarHBondContact O-N 2.83Å; H99-E101 PolarHBondContact O-N 2.79Å | ||
| 100 | Y | 44.6 | Very low | 55.4 | Low | 196 Ų | 196 | 145.1 Ų | 145.1 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | trans | -63.9 | 91.6 | 171.2 | -69.4 | -88.4 | 0 | 0 | 0 | 107.7 | H98 P102 | H98-Y100 VanDerWaalsContact C-N 3.34Å; H98-Y100 HydrophobicContact CB-CD2 4.4Å; H98-Y100 HydrophobicContact CB-CE2 4.02Å; H98-Y100 PolarHBondContact O-N 3.26Å; H98-Y100 VanDerWaalsContact O-N 3.17Å; Y100-P102 VanDerWaalsContact O-CD 3.31Å; Y100-P102 WeakPolarHBondContact O-CD 3.38Å | ||
| 101 | E | 54.5 | Low | 56.9 | Low | 104 Ų | 104 | 141 Ų | 141 | 49% | 0.486 | 66% | 0.655 | S | S | . | * | trans | -65 | 114.8 | 165.5 | -161.9 | -176.4 | 140.2 | 0 | 0 | 106.4 | H99 Q103 Q106 | H99-E101 PolarHBondContact O-N 2.79Å; E101-Q103 PolarHBondContact O-N 3.49Å; E101-Q106 PolarHBondContact OE1-NE2 3.49Å | ||
| 102 | P | 55.9 | Low | 58.4 | Low | 67 Ų | 67 | 140 Ų | 140 | 44% | 0.435 | 65% | 0.646 | S | S | . | * | trans | -63.8 | 118.7 | -175.3 | 22.6 | -29.1 | 0 | 0 | 0 | 108.2 | Y100 Q104 Q105 | Y100-P102 VanDerWaalsContact O-CD 3.31Å; Y100-P102 WeakPolarHBondContact O-CD 3.38Å; P102-Q104 PolarHBondContact O-N 3.23Å; P102-Q105 HydrophobicContact CG-CG 4.43Å; P102-Q105 PolarHBondContact O-N 2.82Å | ||
| 103 | Q | 63.1 | Low | 60.1 | Low | 176 Ų | 176 | 138.4 Ų | 138.4 | 82% | 0.822 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.1 | -17.6 | 179.8 | -66.9 | 158.6 | 13.7 | 0 | 0 | 113.6 | E101 | E101-Q103 PolarHBondContact O-N 3.49Š|
| 104 | Q | 65.1 | Low | 61.5 | Low | 165 Ų | 165 | 133.4 Ų | 133.4 | 77% | 0.771 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.9 | -32 | 174.4 | -59.8 | -176.3 | 9.9 | 0 | 0 | 113.6 | P102 Q108 | P102-Q104 PolarHBondContact O-N 3.23Å; Q104-Q108 PolarHBondContact O-N 3.39Å |
| 105 | Q | 67.9 | Low | 62.9 | Low | 107 Ų | 107 | 132 Ų | 132 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74.6 | -38.5 | -177.4 | -74.9 | -176.6 | 0.9 | 0 | 0 | 113.4 | P102 Q108 Q109 | P102-Q105 HydrophobicContact CG-CG 4.43Å; P102-Q105 PolarHBondContact O-N 2.82Å; Q105-Q108 PolarHBondContact O-N 2.84Å; Q105-Q109 PolarHBondContact O-N 2.91Å; Q105-Q109 VanDerWaalsContact O-N 3.14Å |
| 106 | Q | 71.1 | Confident | 64.3 | Low | 113 Ų | 113 | 130.9 Ų | 130.9 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68 | -38.2 | 177.2 | -77.4 | -177.8 | 11.1 | 0 | 0 | 112.6 | E101 Q108 Q109 Q110 | E101-Q106 PolarHBondContact OE1-NE2 3.49Å; Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 2.83Å; Q106-Q109 PolarHBondContact O-N 3.47Å; Q106-Q110 PolarHBondContact O-N 3.48Å; Q106-Q110 VanDerWaalsContact O-N 3.07Å |
| 107 | L | 73.4 | Confident | 65.5 | Low | 106 Ų | 106 | 129 Ų | 129 | 56% | 0.555 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.9 | -38.6 | 174.8 | -171.2 | 63.9 | 0 | 0 | 0 | 111 | Q110 L111 | L107-Q110 PolarHBondContact O-N 2.96Å; L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.4Å |
| 108 | Q | 77.5 | Confident | 66.9 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -38.1 | 178.2 | -160.2 | 170.4 | 54.3 | 0 | 0 | 112.4 | Q104 Q105 Q106 L111 Q112 | Q104-Q108 PolarHBondContact O-N 3.39Å; Q105-Q108 PolarHBondContact O-N 2.84Å; Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 2.83Å; Q108-L111 PolarHBondContact O-N 2.87Å; Q108-Q112 PolarHBondContact O-N 2.69Å; Q108-Q112 VanDerWaalsContact O-N 3.08Å |
| 109 | Q | 78.1 | Confident | 68.6 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 52% | 0.523 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.4 | -41.1 | 174.7 | -71.5 | -176 | 36.7 | 0 | 0 | 112.5 | Q105 Q106 Q112 Q113 | Q105-Q109 PolarHBondContact O-N 2.91Å; Q105-Q109 VanDerWaalsContact O-N 3.14Å; Q106-Q109 PolarHBondContact O-N 3.47Å; Q109-Q112 PolarHBondContact O-N 3.26Å; Q109-Q113 WeakPolarHBondContact O-CG 3.23Å; Q109-Q113 PolarHBondContact O-N 2.75Å; Q109-Q113 VanDerWaalsContact O-N 3.08Å |
| 110 | Q | 79.1 | Confident | 70 | Confident | 113 Ų | 113 | 128.4 Ų | 128.4 | 53% | 0.528 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.9 | -40.7 | 175.2 | -77.6 | -173.1 | 9.7 | 0 | 0 | 112.1 | Q106 L107 Q113 Q114 | Q106-Q110 PolarHBondContact O-N 3.48Å; Q106-Q110 VanDerWaalsContact O-N 3.07Å; L107-Q110 PolarHBondContact O-N 2.96Å; Q110-Q113 PolarHBondContact O-N 2.92Å; Q110-Q114 WeakPolarHBondContact O-CG 3.28Å; Q110-Q114 PolarHBondContact O-N 3.31Å |
| 111 | L | 75 | Confident | 71.7 | Confident | 84 Ų | 84 | 129.8 Ų | 129.8 | 44% | 0.44 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64 | -39.5 | 176.8 | -72.9 | 170.1 | 0 | 0 | 0 | 112.2 | L107 Q108 Q114 Q115 | L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.4Å; Q108-L111 PolarHBondContact O-N 2.87Å; L111-Q114 PolarHBondContact O-N 3.07Å; L111-Q115 WeakPolarHBondContact O-CG 3.33Å; L111-Q115 PolarHBondContact O-N 3.31Å; L111-Q115 VanDerWaalsContact O-N 3.1Å |
| 112 | Q | 75.9 | Confident | 73.2 | Confident | 113 Ų | 113 | 134.2 Ų | 134.2 | 53% | 0.528 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.9 | -41.3 | 174.8 | -81.2 | -176.4 | 14.1 | 0 | 0 | 112.3 | Q108 Q109 Q115 Q116 | Q108-Q112 PolarHBondContact O-N 2.69Å; Q108-Q112 VanDerWaalsContact O-N 3.08Å; Q109-Q112 PolarHBondContact O-N 3.26Å; Q112-Q115 PolarHBondContact O-N 3.46Å; Q112-Q116 WeakPolarHBondContact O-CG 3Å; Q112-Q116 PolarHBondContact O-N 3.06Å |
| 113 | Q | 74.1 | Confident | 74.8 | Confident | 117 Ų | 117 | 142.5 Ų | 142.5 | 55% | 0.547 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.7 | -37.7 | 177.5 | -69.6 | -179.3 | 35.5 | 0 | 0 | 112.2 | Q109 Q110 Q116 Q117 | Q109-Q113 WeakPolarHBondContact O-CG 3.23Å; Q109-Q113 PolarHBondContact O-N 2.75Å; Q109-Q113 VanDerWaalsContact O-N 3.08Å; Q110-Q113 PolarHBondContact O-N 2.92Å; Q113-Q116 PolarHBondContact O-N 2.73Å; Q113-Q117 WeakPolarHBondContact O-CG 3.49Å; Q113-Q117 PolarHBondContact O-N 3.49Å |
| 114 | Q | 72.1 | Confident | 76.1 | Confident | 121 Ų | 121 | 139 Ų | 139 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.4 | -40 | 175.1 | -73.5 | -179.5 | 28.9 | 0 | 0 | 112.1 | Q110 L111 Q116 Q117 | Q110-Q114 WeakPolarHBondContact O-CG 3.28Å; Q110-Q114 PolarHBondContact O-N 3.31Å; L111-Q114 PolarHBondContact O-N 3.07Å; Q114-Q116 VanDerWaalsContact C-N 3.34Å; Q114-Q116 PolarHBondContact O-N 2.93Å; Q114-Q117 PolarHBondContact O-N 3.35Å |
| 115 | Q | 71.3 | Confident | 77.5 | Confident | 144 Ų | 144 | 135.7 Ų | 135.7 | 67% | 0.673 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.9 | -37 | 177.4 | -73.9 | 177.8 | 52.5 | 0 | 0 | 112.6 | L111 Q112 Q117 A118 | L111-Q115 WeakPolarHBondContact O-CG 3.33Å; L111-Q115 PolarHBondContact O-N 3.31Å; L111-Q115 VanDerWaalsContact O-N 3.1Å; Q112-Q115 PolarHBondContact O-N 3.46Å; Q115-Q117 VanDerWaalsContact C-N 3.34Å; Q115-Q117 PolarHBondContact O-N 3.05Å; Q115-A118 PolarHBondContact O-N 2.99Å |
| 116 | Q | 71.8 | Confident | 78.9 | Confident | 142 Ų | 142 | 132.9 Ų | 132.9 | 66% | 0.664 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.9 | -28.6 | 178.6 | -68.7 | 178.2 | 20.9 | 0 | 0 | 113.3 | Q112 Q113 Q114 A118 Y119 | Q112-Q116 WeakPolarHBondContact O-CG 3Å; Q112-Q116 PolarHBondContact O-N 3.06Å; Q113-Q116 PolarHBondContact O-N 2.73Å; Q114-Q116 VanDerWaalsContact C-N 3.34Å; Q114-Q116 PolarHBondContact O-N 2.93Å; Q116-A118 VanDerWaalsContact C-N 3.28Å; Q116-A118 PolarHBondContact O-N 3.44Å; Q116-Y119 PolarHBondContact O-N 2.91Å |
| 117 | Q | 69.5 | Low | 80.2 | Confident | 113 Ų | 113 | 131.2 Ų | 131.2 | 53% | 0.528 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.8 | -30.2 | -179.9 | -71.4 | -177.6 | 31.3 | 0 | 0 | 113 | Q113 Q114 Q115 Y119 R120 | Q113-Q117 WeakPolarHBondContact O-CG 3.49Å; Q113-Q117 PolarHBondContact O-N 3.49Å; Q114-Q117 PolarHBondContact O-N 3.35Å; Q115-Q117 VanDerWaalsContact C-N 3.34Å; Q115-Q117 PolarHBondContact O-N 3.05Å; Q117-Y119 VanDerWaalsContact C-N 3.26Å; Q117-Y119 PolarHBondContact O-N 3.5Å; Q117-R120 PolarHBondContact O-N 2.99Å |
| 118 | A | 70 | Confident | 81.4 | Confident | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -25.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q115 Q116 R120 | Q115-A118 PolarHBondContact O-N 2.99Å; Q116-A118 VanDerWaalsContact C-N 3.28Å; Q116-A118 PolarHBondContact O-N 3.44Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.22Å |
| 119 | Y | 77.9 | Confident | 82.3 | Confident | 195 Ų | 195 | 130.7 Ų | 130.7 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 13.1 | -176.6 | -157 | -102.2 | 0 | 0 | 0 | 114.4 | Q116 Q117 R121 | Q116-Y119 PolarHBondContact O-N 2.91Å; Q117-Y119 VanDerWaalsContact C-N 3.26Å; Q117-Y119 PolarHBondContact O-N 3.5Å; Y119-R121 PolarHBondContact O-N 3.06Å |
| 120 | R | 81.2 | Confident | 83.2 | Confident | 189 Ų | 189 | 126.9 Ų | 126.9 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | trans | -66.7 | 115.7 | 172.9 | -71.8 | -158.9 | -102.3 | -155.1 | -3.5 | 109.5 | Q117 A118 K122 | Q117-R120 PolarHBondContact O-N 2.99Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.22Å; R120-K122 PolarHBondContact O-N 3.28Å | ||
| 121 | R | 81.9 | Confident | 84.1 | Confident | 224 Ų | 224 | 124.3 Ų | 124.3 | 85% | 0.845 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 129.4 | 175.8 | -66 | -173.8 | -173.2 | 99.8 | 1.1 | 109.4 | Y119 R123 | Y119-R121 PolarHBondContact O-N 3.06Å; R121-R123 PolarHBondContact O-N 2.85Å |
| 122 | K | 86.2 | Confident | 85.2 | Confident | 197 Ų | 197 | 126.4 Ų | 126.4 | 86% | 0.857 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 131.2 | 176.7 | -171.9 | 174.1 | -178.9 | 176.9 | 0 | 109.1 | R120 T124 | R120-K122 PolarHBondContact O-N 3.28Å; K122-T124 PolarHBondContact O-N 2.94Å |
| 123 | R | 88.7 | Confident | 86.2 | Confident | 242 Ų | 242 | 126 Ų | 126 | 91% | 0.913 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 130.7 | 177 | -66.3 | -176.6 | 178.5 | 179.3 | 0.6 | 109 | R121 | R121-R123 PolarHBondContact O-N 2.85Š|
| 124 | T | 91 | Very high | 87.3 | Confident | 101 Ų | 101 | 120.5 Ų | 120.5 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -90 | 136.4 | 169.8 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | K122 | K122-T124 PolarHBondContact O-N 2.94Š|
| 125 | A | 94.7 | Very high | 88.5 | Confident | 97 Ų | 97 | 117.4 Ų | 117.4 | 80% | 0.802 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 133.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 126 | F | 97.3 | Very high | 89.6 | Confident | 48 Ų | 48 | 113.5 Ų | 113.5 | 21% | 0.211 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 147.4 | 171.7 | -60.4 | -38.4 | 0 | 0 | 0 | 110.2 | Q130 L131 L134 L158 Q162 W166 | F126-Q130 HydrophobicContact CB-CB 4.19Å; F126-L131 HydrophobicContact CB-CD2 3.93Å; F126-L131 HydrophobicContact CB-CG 3.95Å; F126-L131 HydrophobicContact CD2-CD2 4.02Å; F126-L131 HydrophobicContact CG-CD2 4.49Å; F126-L134 HydrophobicContact CD2-CD1 4.2Å; F126-L158 HydrophobicContact CD1-CD1 4.09Å; F126-L158 HydrophobicContact CD1-CD2 3.95Å; F126-L158 HydrophobicContact CE1-CD1 3.97Å; F126-L158 HydrophobicContact CE1-CD2 3.8Å; F126-L158 HydrophobicContact CZ-CD1 4.45Å; F126-Q162 HydrophobicContact CE1-CB 4.39Å; F126-Q162 HydrophobicContact CZ-CB 4.15Å; F126-W166 AromaticContact CD2-CD1 3.76Å; F126-W166 HydrophobicContact CE2-CB 4.07Å; F126-W166 AromaticContact CE2-CD1 3.53Å; F126-W166 HydrophobicContact CE2-CG 4.08Å |
| 127 | T | 97.9 | Very high | 90.8 | Very high | 77 Ų | 77 | 108.2 Ų | 108.2 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 159.8 | 173.8 | 71.4 | 0 | 0 | 0 | 0 | 110.3 | S129 Q130 L131 | T127-S129 VanDerWaalsContact C-N 3.26Å; T127-S129 PolarHBondContact O-N 3.37Å; T127-Q130 WeakPolarHBondContact O-CB 3.25Å; T127-Q130 PolarHBondContact O-N 3.41Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 VanDerWaalsContact OG1-CG 3.29Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.33Å; T127-Q130 PolarHBondContact OG1-N 2.9Å; T127-Q130 PolarHBondContact OG1-OE1 3.37Å; T127-L131 WeakPolarHBondContact O-CG 3.42Å; T127-L131 PolarHBondContact O-N 2.9Å |
| 128 | Q | 97.5 | Very high | 92 | Very high | 155 Ų | 155 | 102.9 Ų | 102.9 | 72% | 0.724 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -36.1 | 178.1 | -62.1 | -65.3 | 29.8 | 0 | 0 | 112.5 | L131 F132 | Q128-L131 PolarHBondContact O-N 3.25Å; Q128-F132 WeakPolarHBondContact O-CB 3.32Å; Q128-F132 PolarHBondContact O-N 3.24Å |
| 129 | S | 97.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 99.4 Ų | 99.4 | 49% | 0.49 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 173.3 | -178 | 0 | 0 | 0 | 0 | 110.9 | T127 L131 F132 Y133 | T127-S129 VanDerWaalsContact C-N 3.26Å; T127-S129 PolarHBondContact O-N 3.37Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.2Å; S129-F132 WeakPolarHBondContact O-CB 3.18Å; S129-F132 PolarHBondContact O-N 3.04Å; S129-Y133 WeakPolarHBondContact O-CD2 3.3Å; S129-Y133 PolarHBondContact O-N 2.89Å; S129-Y133 VanDerWaalsContact O-N 3.07Å |
| 130 | Q | 97.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 92.2 Ų | 92.2 | 15% | 0.145 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 176.6 | -73.5 | 169.8 | -25.3 | 0 | 0 | 111.8 | F126 T127 F132 Y133 L134 L156 | F126-Q130 HydrophobicContact CB-CB 4.19Å; T127-Q130 WeakPolarHBondContact O-CB 3.25Å; T127-Q130 PolarHBondContact O-N 3.41Å; T127-Q130 VanDerWaalsContact O-N 3.16Å; T127-Q130 VanDerWaalsContact OG1-CG 3.29Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.33Å; T127-Q130 PolarHBondContact OG1-N 2.9Å; T127-Q130 PolarHBondContact OG1-OE1 3.37Å; Q130-F132 PolarHBondContact O-N 3.48Å; Q130-Y133 PolarHBondContact O-N 3.38Å; Q130-L134 VanDerWaalsContact O-CB 3.32Å; Q130-L134 WeakPolarHBondContact O-CB 3.13Å; Q130-L134 WeakPolarHBondContact O-CD1 3.18Å; Q130-L134 WeakPolarHBondContact O-CG 3.47Å; Q130-L134 PolarHBondContact O-N 3.19Å; Q130-L156 HydrophobicContact CG-CB 4.42Å; Q130-L156 HydrophobicContact CG-CD2 4.5Å; Q130-L156 PolarHBondContact NE2-O 3.36Å |
| 131 | L | 97.9 | Very high | 94.3 | Very high | 60 Ų | 60 | 86 Ų | 86 | 31% | 0.314 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 178.2 | -69.3 | 174 | 0 | 0 | 0 | 112.6 | F126 T127 Q128 S129 L134 E135 | F126-L131 HydrophobicContact CB-CD2 3.93Å; F126-L131 HydrophobicContact CB-CG 3.95Å; F126-L131 HydrophobicContact CD2-CD2 4.02Å; F126-L131 HydrophobicContact CG-CD2 4.49Å; T127-L131 WeakPolarHBondContact O-CG 3.42Å; T127-L131 PolarHBondContact O-N 2.9Å; Q128-L131 PolarHBondContact O-N 3.25Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.2Å; L131-L134 PolarHBondContact O-N 3.37Å; L131-E135 WeakPolarHBondContact O-CB 3.3Å; L131-E135 PolarHBondContact O-N 3.19Å |
| 132 | F | 96.6 | Very high | 94.9 | Very high | 127 Ų | 127 | 79.4 Ų | 79.4 | 56% | 0.557 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.1 | -51.4 | 176.7 | 174.9 | -95.5 | 0 | 0 | 0 | 111.5 | Q128 S129 Q130 E135 Q136 | Q128-F132 WeakPolarHBondContact O-CB 3.32Å; Q128-F132 PolarHBondContact O-N 3.24Å; S129-F132 WeakPolarHBondContact O-CB 3.18Å; S129-F132 PolarHBondContact O-N 3.04Å; Q130-F132 PolarHBondContact O-N 3.48Å; F132-E135 PolarHBondContact O-N 3.34Å; F132-Q136 WeakPolarHBondContact O-CB 3.48Å; F132-Q136 PolarHBondContact O-N 3.47Å |
| 133 | Y | 96.9 | Very high | 95.4 | Very high | 106 Ų | 106 | 77.4 Ų | 77.4 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 179 | -76.1 | -71.6 | 0 | 0 | 0 | 112.7 | S129 Q130 E135 Q136 S137 L156 | S129-Y133 WeakPolarHBondContact O-CD2 3.3Å; S129-Y133 PolarHBondContact O-N 2.89Å; S129-Y133 VanDerWaalsContact O-N 3.07Å; Q130-Y133 PolarHBondContact O-N 3.38Å; Y133-E135 VanDerWaalsContact C-N 3.34Å; Y133-E135 PolarHBondContact O-N 3.45Å; Y133-Q136 PolarHBondContact O-N 3.07Å; Y133-S137 VanDerWaalsContact O-CB 3.27Å; Y133-S137 WeakPolarHBondContact O-CB 3.43Å; Y133-S137 PolarHBondContact O-N 3.16Å; Y133-L156 HydrophobicContact CD2-CD2 4.21Å; Y133-L156 HydrophobicContact CG-CD2 4.23Å |
| 134 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 174.9 | -76 | 167.4 | 0 | 0 | 0 | 111.6 | F126 Q130 L131 F138 L152 L156 I163 W166 Y167 | F126-L134 HydrophobicContact CD2-CD1 4.2Å; Q130-L134 VanDerWaalsContact O-CB 3.32Å; Q130-L134 WeakPolarHBondContact O-CB 3.13Å; Q130-L134 WeakPolarHBondContact O-CD1 3.18Å; Q130-L134 WeakPolarHBondContact O-CG 3.47Å; Q130-L134 PolarHBondContact O-N 3.19Å; L131-L134 PolarHBondContact O-N 3.37Å; L134-F138 VanDerWaalsContact O-CB 3.3Å; L134-F138 WeakPolarHBondContact O-CB 2.92Å; L134-F138 PolarHBondContact O-N 3.46Å; L134-L152 HydrophobicContact CD2-CD2 4.03Å; L134-L156 HydrophobicContact CD1-CD1 4.42Å; L134-L156 HydrophobicContact CD2-CD1 3.76Å; L134-L156 HydrophobicContact CG-CD1 3.68Å; L134-I163 HydrophobicContact CD2-CD1 3.75Å; L134-W166 VanDerWaalsContact C-CH2 3.43Å; L134-W166 HydrophobicContact CB-CD2 4.01Å; L134-W166 HydrophobicContact CB-CE3 3.99Å; L134-W166 HydrophobicContact CB-CH2 3.61Å; L134-W166 HydrophobicContact CB-CZ2 3.59Å; L134-W166 HydrophobicContact CB-CZ3 3.8Å; L134-W166 HydrophobicContact CD1-CD2 3.89Å; L134-W166 HydrophobicContact CD1-CE3 4.48Å; L134-W166 HydrophobicContact CD1-CG 3.96Å; L134-W166 HydrophobicContact CD2-CD2 4.16Å; L134-W166 HydrophobicContact CD2-CE3 3.95Å; L134-W166 HydrophobicContact CD2-CZ3 4.38Å; L134-W166 HydrophobicContact CG-CD2 4.25Å; L134-W166 HydrophobicContact CG-CE3 4.37Å; L134-W166 WeakPolarHBondContact O-CH2 3.44Å; L134-W166 WeakPolarHBondContact O-CZ3 3.48Å; L134-Y167 HydrophobicContact CD2-CE2 4.23Å |
| 135 | E | 97.3 | Very high | 96 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 177.8 | -166.8 | 65.7 | -158.2 | 0 | 0 | 111.4 | L131 F132 Y133 S137 F138 L139 R170 | L131-E135 WeakPolarHBondContact O-CB 3.3Å; L131-E135 PolarHBondContact O-N 3.19Å; F132-E135 PolarHBondContact O-N 3.34Å; Y133-E135 VanDerWaalsContact C-N 3.34Å; Y133-E135 PolarHBondContact O-N 3.45Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 2.87Å; E135-F138 WeakPolarHBondContact O-CB 3.44Å; E135-F138 PolarHBondContact O-N 3.48Å; E135-F138 VanDerWaalsContact O-N 3.11Å; E135-L139 WeakPolarHBondContact O-CG 3.44Å; E135-L139 PolarHBondContact O-N 2.95Å; E135-R170 VanDerWaalsContact CD-NE 3.32Å; E135-R170 IonicContact OE1-CZ 3.26Å; E135-R170 VanDerWaalsContact OE1-CZ 3.26Å; E135-R170 IonicContact OE1-NE 2.99Å; E135-R170 PolarHBondContact OE1-NE 2.73Å; E135-R170 IonicContact OE1-NH2 2.69Å; E135-R170 PolarHBondContact OE1-NH2 2.85Å; E135-R170 WeakPolarHBondContact OE2-CD 3.43Å; E135-R170 IonicContact OE2-CZ 3.78Å; E135-R170 IonicContact OE2-NE 2.8Å; E135-R170 PolarHBondContact OE2-NE 3.22Å; E135-R170 IonicContact OE2-NH2 3.91Å |
| 136 | Q | 95.3 | Very high | 96.1 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57 | -47.1 | 176.5 | -174.9 | 65.6 | 87.6 | 0 | 0 | 111.2 | F132 Y133 L139 C140 | F132-Q136 WeakPolarHBondContact O-CB 3.48Å; F132-Q136 PolarHBondContact O-N 3.47Å; Y133-Q136 PolarHBondContact O-N 3.07Å; Q136-L139 PolarHBondContact O-N 2.69Å; Q136-C140 PolarHBondContact O-N 2.76Å; Q136-C140 PolarHBondContact O-SG 3.04Å |
| 137 | S | 95 | Very high | 96 | Very high | 30 Ų | 30 | 69.6 Ų | 69.6 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | Y133 E135 C140 Q141 Y167 | Y133-S137 VanDerWaalsContact O-CB 3.27Å; Y133-S137 WeakPolarHBondContact O-CB 3.43Å; Y133-S137 PolarHBondContact O-N 3.16Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 2.87Å; S137-C140 VanDerWaalsContact O-CB 3.26Å; S137-C140 WeakPolarHBondContact O-CB 3.32Å; S137-C140 PolarHBondContact O-N 3.11Å; S137-Q141 PolarHBondContact O-N 2.98Å; S137-Y167 WeakPolarHBondContact CB-OH 3.34Å; S137-Y167 PolarHBondContact OG-OH 2.82Å |
| 138 | F | 95.9 | Very high | 96 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 177.4 | -177.6 | -96.6 | 0 | 0 | 0 | 113.7 | L134 E135 C140 Q141 R142 W166 Y167 R170 R171 W174 | L134-F138 VanDerWaalsContact O-CB 3.3Å; L134-F138 WeakPolarHBondContact O-CB 2.92Å; L134-F138 PolarHBondContact O-N 3.46Å; E135-F138 WeakPolarHBondContact O-CB 3.44Å; E135-F138 PolarHBondContact O-N 3.48Å; E135-F138 VanDerWaalsContact O-N 3.11Å; F138-C140 VanDerWaalsContact C-N 3.28Å; F138-Q141 CarbonylContact O-C 3.31Å; F138-Q141 VanDerWaalsContact O-C 3.31Å; F138-Q141 PolarHBondContact O-N 2.96Å; F138-R142 HydrophobicContact CE1-CG 4.22Å; F138-R142 HydrophobicContact CE2-CB 4.05Å; F138-R142 HydrophobicContact CE2-CG 4.22Å; F138-R142 HydrophobicContact CZ-CB 4.2Å; F138-R142 HydrophobicContact CZ-CG 3.95Å; F138-W166 HydrophobicContact CB-CH2 4.03Å; F138-W166 HydrophobicContact CB-CZ3 3.98Å; F138-W166 HydrophobicContact CD2-CZ3 4.35Å; F138-W166 HydrophobicContact CG-CH2 4.5Å; F138-W166 HydrophobicContact CG-CZ3 4.38Å; F138-Y167 HydrophobicContact CB-CE1 4.33Å; F138-Y167 AromaticContact CD2-CD1 3.86Å; F138-Y167 HydrophobicContact CD2-CD1 3.86Å; F138-Y167 AromaticContact CD2-CE1 3.74Å; F138-Y167 HydrophobicContact CD2-CE1 3.74Å; F138-Y167 HydrophobicContact CE2-CD1 4.42Å; F138-Y167 PolarHBondContact N-OH 2.9Å; F138-R170 HydrophobicContact CD1-CG 3.71Å; F138-R170 HydrophobicContact CD2-CB 4.25Å; F138-R170 HydrophobicContact CD2-CG 3.63Å; F138-R170 HydrophobicContact CE1-CG 3.73Å; F138-R170 HydrophobicContact CE2-CB 4.14Å; F138-R170 HydrophobicContact CE2-CG 3.66Å; F138-R170 HydrophobicContact CG-CG 3.67Å; F138-R170 HydrophobicContact CZ-CB 4.49Å; F138-R170 HydrophobicContact CZ-CG 3.71Å; F138-R171 HydrophobicContact CE2-CG 3.75Å; F138-R171 HydrophobicContact CZ-CG 4.13Å; F138-W174 HydrophobicContact CE1-CB 4.4Å; F138-W174 HydrophobicContact CE1-CG 4.47Å; F138-W174 HydrophobicContact CZ-CB 4.26Å; F138-W174 HydrophobicContact CZ-CG 4.49Å |
| 139 | L | 92.8 | Very high | 96 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -33.8 | 175.9 | -68.5 | 178.2 | 0 | 0 | 0 | 112.3 | E135 Q136 N197 I200 T201 | E135-L139 WeakPolarHBondContact O-CG 3.44Å; E135-L139 PolarHBondContact O-N 2.95Å; Q136-L139 PolarHBondContact O-N 2.69Å; L139-N197 HydrophobicContact CD2-CB 4.33Å; L139-N197 WeakPolarHBondContact CD2-OD1 3.48Å; L139-I200 HydrophobicContact CB-CG2 3.84Å; L139-I200 HydrophobicContact CD1-CG2 4.44Å; L139-T201 PolarHBondContact O-OG1 3.2Å |
| 140 | C | 92.4 | Very high | 96 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.3 | -54.2 | 170.5 | -72.1 | 0 | 0 | 0 | 0 | 110.6 | Q136 S137 F138 C204 | Q136-C140 PolarHBondContact O-N 2.76Å; Q136-C140 PolarHBondContact O-SG 3.04Å; S137-C140 VanDerWaalsContact O-CB 3.26Å; S137-C140 WeakPolarHBondContact O-CB 3.32Å; S137-C140 PolarHBondContact O-N 3.11Å; F138-C140 VanDerWaalsContact C-N 3.28Å; C140-C204 WeakPolarHBondContact CA-SG 3.43Å; C140-C204 HydrophobicContact CB-CB 3.71Å; C140-C204 WeakPolarHBondContact CB-SG 3.16Å; C140-C204 WeakPolarHBondContact SG-CB 3.4Å; C140-C204 VanDerWaalsContact SG-SG 3.68Å |
| 141 | Q | 92.3 | Very high | 96 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | trans | -146 | 118.4 | -173.9 | -178.1 | 168.1 | -19 | 0 | 0 | 112.2 | S137 F138 Y143 L144 E148 Y167 | S137-Q141 PolarHBondContact O-N 2.98Å; F138-Q141 CarbonylContact O-C 3.31Å; F138-Q141 VanDerWaalsContact O-C 3.31Å; F138-Q141 PolarHBondContact O-N 2.96Å; Q141-Y143 VanDerWaalsContact C-N 3.31Å; Q141-Y143 VanDerWaalsContact CG-O 3.24Å; Q141-Y143 WeakPolarHBondContact CG-O 3.21Å; Q141-Y143 PolarHBondContact NE2-O 2.96Å; Q141-Y143 PolarHBondContact O-N 3.32Å; Q141-L144 HydrophobicContact CG-CD2 4.5Å; Q141-E148 PolarHBondContact NE2-OE1 3.13Å; Q141-E148 PolarHBondContact NE2-OE2 3.19Å; Q141-E148 PolarHBondContact OE1-OE1 2.7Å; Q141-E148 VanDerWaalsContact OE1-OE1 3.11Å; Q141-Y167 WeakPolarHBondContact O-CE1 3.45Å | ||
| 142 | R | 94.4 | Very high | 96 | Very high | 86 Ų | 86 | 64.6 Ų | 64.6 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -78 | -14.4 | -175.3 | -62.8 | -178.1 | 176.7 | 122.8 | 1.3 | 114.3 | F138 R171 | F138-R142 HydrophobicContact CE1-CG 4.22Å; F138-R142 HydrophobicContact CE2-CB 4.05Å; F138-R142 HydrophobicContact CE2-CG 4.22Å; F138-R142 HydrophobicContact CZ-CB 4.2Å; F138-R142 HydrophobicContact CZ-CG 3.95Å; R142-R171 WeakPolarHBondContact O-CD 3.22Å; R142-R171 PolarHBondContact O-NH1 2.9Å |
| 143 | Y | 97.5 | Very high | 96.1 | Very high | 156 Ų | 156 | 58.9 Ų | 58.9 | 61% | 0.612 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -136.9 | 108.7 | -176.8 | -66.5 | -92.6 | 0 | 0 | 0 | 109.5 | Q141 | Q141-Y143 VanDerWaalsContact C-N 3.31Å; Q141-Y143 VanDerWaalsContact CG-O 3.24Å; Q141-Y143 WeakPolarHBondContact CG-O 3.21Å; Q141-Y143 PolarHBondContact NE2-O 2.96Å; Q141-Y143 PolarHBondContact O-N 3.32Å |
| 144 | L | 95.4 | Very high | 96.1 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.12 | 30% | 0.302 | C | S | . | . | trans | -81 | 135.8 | 175.5 | -58.6 | -178.8 | 0 | 0 | 0 | 111.3 | Q141 E148 R149 L152 I163 Y167 | Q141-L144 HydrophobicContact CG-CD2 4.5Å; L144-E148 WeakPolarHBondContact CA-OE2 3.12Å; L144-E148 HydrophobicContact CB-CB 4.29Å; L144-E148 HydrophobicContact CD2-CB 4.1Å; L144-R149 HydrophobicContact CB-CB 4.4Å; L144-L152 HydrophobicContact CD1-CD2 3.71Å; L144-I163 HydrophobicContact CD1-CG2 3.84Å; L144-Y167 HydrophobicContact CD1-CD1 4.42Å; L144-Y167 HydrophobicContact CD1-CD2 3.84Å; L144-Y167 HydrophobicContact CD1-CE1 3.96Å; L144-Y167 HydrophobicContact CD1-CE2 3.33Å; L144-Y167 HydrophobicContact CD1-CG 4.36Å; L144-Y167 HydrophobicContact CD2-CE1 4.02Å; L144-Y167 HydrophobicContact CG-CD1 4.07Å; L144-Y167 HydrophobicContact CG-CD2 4.38Å; L144-Y167 HydrophobicContact CG-CE1 3.57Å; L144-Y167 HydrophobicContact CG-CE2 3.93Å; L144-Y167 HydrophobicContact CG-CG 4.45Å; L144-Y167 VanDerWaalsContact CG-CZ 3.49Å | ||
| 145 | N | 95.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | trans | -72.2 | -178.9 | 164.5 | 73.8 | 42.7 | 0 | 0 | 0 | 110.7 | L147 E148 R149 | N145-L147 PolarHBondContact OD1-N 3.44Å; N145-E148 PolarHBondContact N-OE2 3.24Å; N145-E148 PolarHBondContact ND2-OE1 3.43Å; N145-E148 PolarHBondContact ND2-OE2 2.94Å; N145-E148 WeakPolarHBondContact OD1-CG 3.44Å; N145-E148 PolarHBondContact OD1-N 3.23Å; N145-R149 VanDerWaalsContact O-CB 3.31Å; N145-R149 WeakPolarHBondContact O-CB 3.23Å; N145-R149 PolarHBondContact O-N 2.88Å | ||
| 146 | V | 96.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 64.9 Ų | 64.9 | 58% | 0.582 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.3 | -43.6 | -175.9 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | R149 A150 | V146-R149 PolarHBondContact O-N 3.34Å; V146-A150 PolarHBondContact O-N 3.12Å; V146-A150 VanDerWaalsContact O-N 3.12Å |
| 147 | L | 96.9 | Very high | 96.2 | Very high | 128 Ų | 128 | 65 Ų | 65 | 67% | 0.67 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.4 | -49.4 | -177.9 | -61.8 | 178.4 | 0 | 0 | 0 | 111.6 | N145 R149 A150 E151 | N145-L147 PolarHBondContact OD1-N 3.44Å; L147-R149 PolarHBondContact O-N 3.26Å; L147-A150 WeakPolarHBondContact O-CB 3.36Å; L147-A150 PolarHBondContact O-N 2.94Å; L147-E151 WeakPolarHBondContact O-CG 3.25Å; L147-E151 PolarHBondContact O-N 3.32Å |
| 148 | E | 96.1 | Very high | 96.4 | Very high | 49 Ų | 49 | 64.6 Ų | 64.6 | 23% | 0.229 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.6 | -34 | 178.8 | -65.4 | 158.9 | 170.5 | 0 | 0 | 111.8 | Q141 L144 N145 L152 | Q141-E148 PolarHBondContact NE2-OE1 3.13Å; Q141-E148 PolarHBondContact NE2-OE2 3.19Å; Q141-E148 PolarHBondContact OE1-OE1 2.7Å; Q141-E148 VanDerWaalsContact OE1-OE1 3.11Å; L144-E148 WeakPolarHBondContact CA-OE2 3.12Å; L144-E148 HydrophobicContact CB-CB 4.29Å; L144-E148 HydrophobicContact CD2-CB 4.1Å; N145-E148 PolarHBondContact N-OE2 3.24Å; N145-E148 PolarHBondContact ND2-OE1 3.43Å; N145-E148 PolarHBondContact ND2-OE2 2.94Å; N145-E148 WeakPolarHBondContact OD1-CG 3.44Å; N145-E148 PolarHBondContact OD1-N 3.23Å; E148-L152 VanDerWaalsContact O-CB 3.25Å; E148-L152 WeakPolarHBondContact O-CB 3.39Å; E148-L152 PolarHBondContact O-N 2.95Å |
| 149 | R | 97.8 | Very high | 96.4 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 175.6 | -172.6 | -167.8 | -53.4 | 145.3 | 8.6 | 111.4 | L144 N145 V146 L147 A153 E160 I163 | L144-R149 HydrophobicContact CB-CB 4.4Å; N145-R149 VanDerWaalsContact O-CB 3.31Å; N145-R149 WeakPolarHBondContact O-CB 3.23Å; N145-R149 PolarHBondContact O-N 2.88Å; V146-R149 PolarHBondContact O-N 3.34Å; L147-R149 PolarHBondContact O-N 3.26Å; R149-A153 VanDerWaalsContact O-CB 3.23Å; R149-A153 WeakPolarHBondContact O-CB 3.35Å; R149-A153 PolarHBondContact O-N 2.95Å; R149-E160 HydrophobicContact CG-CB 4.18Å; R149-E160 HydrophobicContact CG-CG 4.21Å; R149-I163 HydrophobicContact CG-CB 4.19Å; R149-I163 HydrophobicContact CG-CG2 3.96Å |
| 150 | A | 97.9 | Very high | 96.7 | Very high | 29 Ų | 29 | 70.6 Ų | 70.6 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V146 L147 L152 A153 I154 | V146-A150 PolarHBondContact O-N 3.12Å; V146-A150 VanDerWaalsContact O-N 3.12Å; L147-A150 WeakPolarHBondContact O-CB 3.36Å; L147-A150 PolarHBondContact O-N 2.94Å; A150-L152 PolarHBondContact O-N 3.44Å; A150-A153 WeakPolarHBondContact O-CB 3.49Å; A150-A153 PolarHBondContact O-N 3.4Å; A150-I154 WeakPolarHBondContact O-CG1 3.4Å; A150-I154 PolarHBondContact O-N 3.11Å |
| 151 | E | 97.8 | Very high | 96.9 | Very high | 131 Ų | 131 | 70.2 Ų | 70.2 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 176.1 | -71.4 | 175.3 | 178.4 | 0 | 0 | 112 | L147 A153 I154 H155 | L147-E151 WeakPolarHBondContact O-CG 3.25Å; L147-E151 PolarHBondContact O-N 3.32Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 3.27Å; E151-I154 PolarHBondContact O-N 3.32Å; E151-H155 WeakPolarHBondContact O-CB 3.47Å; E151-H155 PolarHBondContact O-N 2.95Å |
| 152 | L | 97.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67 | -35.1 | 179.8 | -170.6 | 61.4 | 0 | 0 | 0 | 112.3 | L134 L144 E148 A150 H155 L156 I163 Y167 | L134-L152 HydrophobicContact CD2-CD2 4.03Å; L144-L152 HydrophobicContact CD1-CD2 3.71Å; E148-L152 VanDerWaalsContact O-CB 3.25Å; E148-L152 WeakPolarHBondContact O-CB 3.39Å; E148-L152 PolarHBondContact O-N 2.95Å; A150-L152 PolarHBondContact O-N 3.44Å; L152-H155 PolarHBondContact O-N 3.48Å; L152-L156 HydrophobicContact CD1-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CG 4.07Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 HydrophobicContact CG-CG 4.48Å; L152-L156 WeakPolarHBondContact O-CB 3.39Å; L152-L156 WeakPolarHBondContact O-CG 3.17Å; L152-L156 PolarHBondContact O-N 2.94Å; L152-I163 HydrophobicContact CD2-CD1 4.44Å; L152-I163 HydrophobicContact CD2-CG2 3.99Å; L152-I163 HydrophobicContact CG-CD1 4.23Å; L152-Y167 HydrophobicContact CD2-CE2 3.85Å |
| 153 | A | 98.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R149 A150 E151 L156 G157 L158 E160 I163 | R149-A153 VanDerWaalsContact O-CB 3.23Å; R149-A153 WeakPolarHBondContact O-CB 3.35Å; R149-A153 PolarHBondContact O-N 2.95Å; A150-A153 WeakPolarHBondContact O-CB 3.49Å; A150-A153 PolarHBondContact O-N 3.4Å; E151-A153 VanDerWaalsContact C-N 3.32Å; E151-A153 PolarHBondContact O-N 3.27Å; A153-L156 PolarHBondContact O-N 3.48Å; A153-G157 PolarHBondContact O-N 3.39Å; A153-G157 VanDerWaalsContact O-N 3.07Å; A153-L158 CarbonylContact C-O 3.36Å; A153-L158 WeakPolarHBondContact CA-O 3.42Å; A153-L158 VanDerWaalsContact CB-O 3.24Å; A153-L158 WeakPolarHBondContact CB-O 3.31Å; A153-L158 PolarHBondContact O-N 2.9Å; A153-E160 HydrophobicContact CB-CG 3.94Å; A153-I163 HydrophobicContact CB-CG1 4.08Å |
| 154 | I | 98 | Very high | 97.4 | Very high | 143 Ų | 143 | 64.4 Ų | 64.4 | 73% | 0.733 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.4 | -48.7 | 176.3 | -66.6 | 165.1 | 0 | 0 | 0 | 110.4 | A150 E151 L156 G157 | A150-I154 WeakPolarHBondContact O-CG1 3.4Å; A150-I154 PolarHBondContact O-N 3.11Å; E151-I154 PolarHBondContact O-N 3.32Å; I154-L156 VanDerWaalsContact C-N 3.3Å; I154-L156 PolarHBondContact O-N 2.91Å; I154-G157 PolarHBondContact O-N 3.41Å |
| 155 | H | 97.5 | Very high | 97.5 | Very high | 128 Ų | 128 | 66.9 Ų | 66.9 | 59% | 0.593 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.9 | -37.3 | -176.6 | -172.5 | 76.3 | 0 | 0 | 0 | 113.2 | E151 L152 | E151-H155 WeakPolarHBondContact O-CB 3.47Å; E151-H155 PolarHBondContact O-N 2.95Å; L152-H155 PolarHBondContact O-N 3.48Å |
| 156 | L | 97.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.089 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -95 | -3.4 | -177 | -62.8 | -178.1 | 0 | 0 | 0 | 114.4 | Q130 Y133 L134 L152 A153 I154 L158 I163 | Q130-L156 HydrophobicContact CG-CB 4.42Å; Q130-L156 HydrophobicContact CG-CD2 4.5Å; Q130-L156 PolarHBondContact NE2-O 3.36Å; Y133-L156 HydrophobicContact CD2-CD2 4.21Å; Y133-L156 HydrophobicContact CG-CD2 4.23Å; L134-L156 HydrophobicContact CD1-CD1 4.42Å; L134-L156 HydrophobicContact CD2-CD1 3.76Å; L134-L156 HydrophobicContact CG-CD1 3.68Å; L152-L156 HydrophobicContact CD1-CD1 3.8Å; L152-L156 HydrophobicContact CD1-CG 4.07Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 HydrophobicContact CG-CG 4.48Å; L152-L156 WeakPolarHBondContact O-CB 3.39Å; L152-L156 WeakPolarHBondContact O-CG 3.17Å; L152-L156 PolarHBondContact O-N 2.94Å; A153-L156 PolarHBondContact O-N 3.48Å; I154-L156 VanDerWaalsContact C-N 3.3Å; I154-L156 PolarHBondContact O-N 2.91Å; L156-L158 VanDerWaalsContact C-N 3.27Å; L156-L158 HydrophobicContact CB-CB 4.48Å; L156-L158 HydrophobicContact CB-CD1 4.02Å; L156-L158 HydrophobicContact CB-CG 4.02Å; L156-L158 HydrophobicContact CD1-CD1 4.32Å; L156-L158 PolarHBondContact O-N 2.97Å; L156-I163 HydrophobicContact CD1-CD1 4.15Å |
| 157 | G | 97.7 | Very high | 97.7 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 69% | 0.691 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 37.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A153 I154 | A153-G157 PolarHBondContact O-N 3.39Å; A153-G157 VanDerWaalsContact O-N 3.07Å; I154-G157 PolarHBondContact O-N 3.41Å |
| 158 | L | 97.8 | Very high | 97.8 | Very high | 21 Ų | 21 | 59.1 Ų | 59.1 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | trans | -117.8 | 158.5 | 179.1 | -64.4 | 178.3 | 0 | 0 | 0 | 109.5 | F126 A153 L156 Q162 I163 | F126-L158 HydrophobicContact CD1-CD1 4.09Å; F126-L158 HydrophobicContact CD1-CD2 3.95Å; F126-L158 HydrophobicContact CE1-CD1 3.97Å; F126-L158 HydrophobicContact CE1-CD2 3.8Å; F126-L158 HydrophobicContact CZ-CD1 4.45Å; A153-L158 CarbonylContact C-O 3.36Å; A153-L158 WeakPolarHBondContact CA-O 3.42Å; A153-L158 VanDerWaalsContact CB-O 3.24Å; A153-L158 WeakPolarHBondContact CB-O 3.31Å; A153-L158 PolarHBondContact O-N 2.9Å; L156-L158 VanDerWaalsContact C-N 3.27Å; L156-L158 HydrophobicContact CB-CB 4.48Å; L156-L158 HydrophobicContact CB-CD1 4.02Å; L156-L158 HydrophobicContact CB-CG 4.02Å; L156-L158 HydrophobicContact CD1-CD1 4.32Å; L156-L158 PolarHBondContact O-N 2.97Å; L158-Q162 HydrophobicContact CB-CB 4.46Å; L158-I163 HydrophobicContact CB-CD1 4Å; L158-I163 HydrophobicContact CB-CG1 4.37Å; L158-I163 HydrophobicContact CD1-CD1 3.81Å | ||
| 159 | S | 97.8 | Very high | 97.8 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | trans | -76.6 | 150.3 | 170.6 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | G161 Q162 I163 | S159-G161 PolarHBondContact O-N 2.85Å; S159-G161 VanDerWaalsContact O-N 3.13Å; S159-Q162 WeakPolarHBondContact O-CB 3.29Å; S159-Q162 PolarHBondContact O-N 3.38Å; S159-Q162 VanDerWaalsContact OG-CG 3.24Å; S159-Q162 WeakPolarHBondContact OG-CG 3.28Å; S159-Q162 PolarHBondContact OG-N 2.91Å; S159-Q162 PolarHBondContact OG-OE1 3.07Å; S159-I163 PolarHBondContact O-N 3.4Å; S159-I163 VanDerWaalsContact O-N 3.07Å | ||
| 160 | E | 98.2 | Very high | 97.8 | Very high | 86 Ų | 86 | 60.3 Ų | 60.3 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53.7 | -34.3 | 171.9 | -73.1 | -174.1 | -118.4 | 0 | 0 | 112.7 | R149 A153 I163 K164 | R149-E160 HydrophobicContact CG-CB 4.18Å; R149-E160 HydrophobicContact CG-CG 4.21Å; A153-E160 HydrophobicContact CB-CG 3.94Å; E160-I163 PolarHBondContact O-N 2.87Å; E160-K164 VanDerWaalsContact O-CB 3.26Å; E160-K164 WeakPolarHBondContact O-CB 3.36Å; E160-K164 PolarHBondContact O-N 2.77Å |
| 161 | G | 97 | Very high | 97.8 | Very high | 36 Ų | 36 | 60.9 Ų | 60.9 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | S159 T165 | S159-G161 PolarHBondContact O-N 2.85Å; S159-G161 VanDerWaalsContact O-N 3.13Å; G161-T165 WeakPolarHBondContact O-CB 3.27Å; G161-T165 PolarHBondContact O-N 2.78Å; G161-T165 PolarHBondContact O-OG1 2.92Å |
| 162 | Q | 97.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 175 | -75.4 | 166.4 | -62.8 | 0 | 0 | 111.2 | F126 L158 S159 T165 W166 | F126-Q162 HydrophobicContact CE1-CB 4.39Å; F126-Q162 HydrophobicContact CZ-CB 4.15Å; L158-Q162 HydrophobicContact CB-CB 4.46Å; S159-Q162 WeakPolarHBondContact O-CB 3.29Å; S159-Q162 PolarHBondContact O-N 3.38Å; S159-Q162 VanDerWaalsContact OG-CG 3.24Å; S159-Q162 WeakPolarHBondContact OG-CG 3.28Å; S159-Q162 PolarHBondContact OG-N 2.91Å; S159-Q162 PolarHBondContact OG-OE1 3.07Å; Q162-T165 PolarHBondContact O-N 3.24Å; Q162-W166 WeakPolarHBondContact O-CB 3.29Å; Q162-W166 PolarHBondContact O-N 3.34Å |
| 163 | I | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59 | -49.9 | 175.1 | -58.6 | -60.4 | 0 | 0 | 0 | 110.2 | L134 L144 R149 L152 A153 L156 L158 S159 E160 T165 W166 Y167 | L134-I163 HydrophobicContact CD2-CD1 3.75Å; L144-I163 HydrophobicContact CD1-CG2 3.84Å; R149-I163 HydrophobicContact CG-CB 4.19Å; R149-I163 HydrophobicContact CG-CG2 3.96Å; L152-I163 HydrophobicContact CD2-CD1 4.44Å; L152-I163 HydrophobicContact CD2-CG2 3.99Å; L152-I163 HydrophobicContact CG-CD1 4.23Å; A153-I163 HydrophobicContact CB-CG1 4.08Å; L156-I163 HydrophobicContact CD1-CD1 4.15Å; L158-I163 HydrophobicContact CB-CD1 4Å; L158-I163 HydrophobicContact CB-CG1 4.37Å; L158-I163 HydrophobicContact CD1-CD1 3.81Å; S159-I163 PolarHBondContact O-N 3.4Å; S159-I163 VanDerWaalsContact O-N 3.07Å; E160-I163 PolarHBondContact O-N 2.87Å; I163-T165 VanDerWaalsContact C-N 3.32Å; I163-T165 PolarHBondContact O-N 3.31Å; I163-W166 PolarHBondContact O-N 2.78Å; I163-Y167 HydrophobicContact CG2-CD2 3.85Å; I163-Y167 HydrophobicContact CG2-CE2 4.04Å; I163-Y167 WeakPolarHBondContact O-CD2 3.18Å; I163-Y167 PolarHBondContact O-N 2.83Å |
| 164 | K | 97.5 | Very high | 97.5 | Very high | 123 Ų | 123 | 64.6 Ų | 64.6 | 54% | 0.535 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -54.5 | -48.1 | 177.2 | -175.7 | -178.8 | 75 | 178.9 | 0 | 111.7 | E160 Y167 Q168 | E160-K164 VanDerWaalsContact O-CB 3.26Å; E160-K164 WeakPolarHBondContact O-CB 3.36Å; E160-K164 PolarHBondContact O-N 2.77Å; K164-Y167 PolarHBondContact O-N 3.44Å; K164-Q168 WeakPolarHBondContact O-CB 3.26Å; K164-Q168 PolarHBondContact O-N 3.05Å |
| 165 | T | 97.7 | Very high | 97.2 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | -179 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | G161 Q162 I163 Q168 N169 | G161-T165 WeakPolarHBondContact O-CB 3.27Å; G161-T165 PolarHBondContact O-N 2.78Å; G161-T165 PolarHBondContact O-OG1 2.92Å; Q162-T165 PolarHBondContact O-N 3.24Å; I163-T165 VanDerWaalsContact C-N 3.32Å; I163-T165 PolarHBondContact O-N 3.31Å; T165-Q168 PolarHBondContact O-N 2.76Å; T165-N169 WeakPolarHBondContact O-CB 3.39Å; T165-N169 VanDerWaalsContact O-CG 3.27Å; T165-N169 PolarHBondContact O-N 2.98Å; T165-N169 PolarHBondContact O-ND2 3.11Å |
| 166 | W | 98.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 13% | 0.129 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 176.9 | -174.6 | 92.2 | 0 | 0 | 0 | 111.4 | F126 L134 F138 Q162 I163 Q168 N169 R170 | F126-W166 AromaticContact CD2-CD1 3.76Å; F126-W166 HydrophobicContact CE2-CB 4.07Å; F126-W166 AromaticContact CE2-CD1 3.53Å; F126-W166 HydrophobicContact CE2-CG 4.08Å; L134-W166 VanDerWaalsContact C-CH2 3.43Å; L134-W166 HydrophobicContact CB-CD2 4.01Å; L134-W166 HydrophobicContact CB-CE3 3.99Å; L134-W166 HydrophobicContact CB-CH2 3.61Å; L134-W166 HydrophobicContact CB-CZ2 3.59Å; L134-W166 HydrophobicContact CB-CZ3 3.8Å; L134-W166 HydrophobicContact CD1-CD2 3.89Å; L134-W166 HydrophobicContact CD1-CE3 4.48Å; L134-W166 HydrophobicContact CD1-CG 3.96Å; L134-W166 HydrophobicContact CD2-CD2 4.16Å; L134-W166 HydrophobicContact CD2-CE3 3.95Å; L134-W166 HydrophobicContact CD2-CZ3 4.38Å; L134-W166 HydrophobicContact CG-CD2 4.25Å; L134-W166 HydrophobicContact CG-CE3 4.37Å; L134-W166 WeakPolarHBondContact O-CH2 3.44Å; L134-W166 WeakPolarHBondContact O-CZ3 3.48Å; F138-W166 HydrophobicContact CB-CH2 4.03Å; F138-W166 HydrophobicContact CB-CZ3 3.98Å; F138-W166 HydrophobicContact CD2-CZ3 4.35Å; F138-W166 HydrophobicContact CG-CH2 4.5Å; F138-W166 HydrophobicContact CG-CZ3 4.38Å; Q162-W166 WeakPolarHBondContact O-CB 3.29Å; Q162-W166 PolarHBondContact O-N 3.34Å; I163-W166 PolarHBondContact O-N 2.78Å; W166-Q168 VanDerWaalsContact C-N 3.33Å; W166-Q168 PolarHBondContact O-N 2.69Å; W166-N169 PolarHBondContact O-N 3.24Å; W166-R170 HydrophobicContact CD2-CB 4.43Å; W166-R170 HydrophobicContact CE3-CB 4.1Å; W166-R170 HydrophobicContact CH2-CB 4.02Å; W166-R170 HydrophobicContact CH2-CG 3.67Å; W166-R170 HydrophobicContact CZ2-CB 4.37Å; W166-R170 HydrophobicContact CZ2-CG 4.23Å; W166-R170 HydrophobicContact CZ3-CB 3.88Å; W166-R170 HydrophobicContact CZ3-CG 3.9Å; W166-R170 VanDerWaalsContact O-CB 3.27Å; W166-R170 WeakPolarHBondContact O-CB 3.41Å; W166-R170 PolarHBondContact O-N 3.02Å |
| 167 | Y | 98.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 68.8 Ų | 68.8 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 177 | -95.6 | -97.2 | 0 | 0 | 0 | 112.6 | L134 S137 F138 Q141 L144 L152 I163 K164 R170 R171 | L134-Y167 HydrophobicContact CD2-CE2 4.23Å; S137-Y167 WeakPolarHBondContact CB-OH 3.34Å; S137-Y167 PolarHBondContact OG-OH 2.82Å; F138-Y167 HydrophobicContact CB-CE1 4.33Å; F138-Y167 AromaticContact CD2-CD1 3.86Å; F138-Y167 HydrophobicContact CD2-CD1 3.86Å; F138-Y167 AromaticContact CD2-CE1 3.74Å; F138-Y167 HydrophobicContact CD2-CE1 3.74Å; F138-Y167 HydrophobicContact CE2-CD1 4.42Å; F138-Y167 PolarHBondContact N-OH 2.9Å; Q141-Y167 WeakPolarHBondContact O-CE1 3.45Å; L144-Y167 HydrophobicContact CD1-CD1 4.42Å; L144-Y167 HydrophobicContact CD1-CD2 3.84Å; L144-Y167 HydrophobicContact CD1-CE1 3.96Å; L144-Y167 HydrophobicContact CD1-CE2 3.33Å; L144-Y167 HydrophobicContact CD1-CG 4.36Å; L144-Y167 HydrophobicContact CD2-CE1 4.02Å; L144-Y167 HydrophobicContact CG-CD1 4.07Å; L144-Y167 HydrophobicContact CG-CD2 4.38Å; L144-Y167 HydrophobicContact CG-CE1 3.57Å; L144-Y167 HydrophobicContact CG-CE2 3.93Å; L144-Y167 HydrophobicContact CG-CG 4.45Å; L144-Y167 VanDerWaalsContact CG-CZ 3.49Å; L152-Y167 HydrophobicContact CD2-CE2 3.85Å; I163-Y167 HydrophobicContact CG2-CD2 3.85Å; I163-Y167 HydrophobicContact CG2-CE2 4.04Å; I163-Y167 WeakPolarHBondContact O-CD2 3.18Å; I163-Y167 PolarHBondContact O-N 2.83Å; K164-Y167 PolarHBondContact O-N 3.44Å; Y167-R170 PolarHBondContact O-N 3.45Å; Y167-R171 WeakPolarHBondContact O-CG 3.35Å; Y167-R171 PolarHBondContact O-N 2.95Å |
| 168 | Q | 98.3 | Very high | 95.8 | Very high | 97 Ų | 97 | 68 Ų | 68 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.2 | -175.3 | 59.8 | 33.6 | 0 | 0 | 111.9 | K164 T165 W166 R170 T172 | K164-Q168 WeakPolarHBondContact O-CB 3.26Å; K164-Q168 PolarHBondContact O-N 3.05Å; T165-Q168 PolarHBondContact O-N 2.76Å; W166-Q168 VanDerWaalsContact C-N 3.33Å; W166-Q168 PolarHBondContact O-N 2.69Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; Q168-T172 PolarHBondContact O-N 2.8Å; Q168-T172 PolarHBondContact O-OG1 2.93Å |
| 169 | N | 97.5 | Very high | 95.1 | Very high | 101 Ų | 101 | 71.3 Ų | 71.3 | 54% | 0.54 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 176.7 | -70.7 | -20.2 | 0 | 0 | 0 | 111.2 | T165 W166 T172 K173 | T165-N169 WeakPolarHBondContact O-CB 3.39Å; T165-N169 VanDerWaalsContact O-CG 3.27Å; T165-N169 PolarHBondContact O-N 2.98Å; T165-N169 PolarHBondContact O-ND2 3.11Å; W166-N169 PolarHBondContact O-N 3.24Å; N169-T172 WeakPolarHBondContact O-CB 3.36Å; N169-T172 PolarHBondContact O-N 3.06Å; N169-K173 PolarHBondContact O-N 3.38Å |
| 170 | R | 98 | Very high | 94.3 | Very high | 33 Ų | 33 | 72.2 Ų | 72.2 | 13% | 0.125 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 179.7 | -176.5 | 65.2 | -167.6 | 95 | -4.5 | 112.1 | E135 F138 W166 Y167 Q168 T172 K173 W174 | E135-R170 VanDerWaalsContact CD-NE 3.32Å; E135-R170 IonicContact OE1-CZ 3.26Å; E135-R170 VanDerWaalsContact OE1-CZ 3.26Å; E135-R170 IonicContact OE1-NE 2.99Å; E135-R170 PolarHBondContact OE1-NE 2.73Å; E135-R170 IonicContact OE1-NH2 2.69Å; E135-R170 PolarHBondContact OE1-NH2 2.85Å; E135-R170 WeakPolarHBondContact OE2-CD 3.43Å; E135-R170 IonicContact OE2-CZ 3.78Å; E135-R170 IonicContact OE2-NE 2.8Å; E135-R170 PolarHBondContact OE2-NE 3.22Å; E135-R170 IonicContact OE2-NH2 3.91Å; F138-R170 HydrophobicContact CD1-CG 3.71Å; F138-R170 HydrophobicContact CD2-CB 4.25Å; F138-R170 HydrophobicContact CD2-CG 3.63Å; F138-R170 HydrophobicContact CE1-CG 3.73Å; F138-R170 HydrophobicContact CE2-CB 4.14Å; F138-R170 HydrophobicContact CE2-CG 3.66Å; F138-R170 HydrophobicContact CG-CG 3.67Å; F138-R170 HydrophobicContact CZ-CB 4.49Å; F138-R170 HydrophobicContact CZ-CG 3.71Å; W166-R170 HydrophobicContact CD2-CB 4.43Å; W166-R170 HydrophobicContact CE3-CB 4.1Å; W166-R170 HydrophobicContact CH2-CB 4.02Å; W166-R170 HydrophobicContact CH2-CG 3.67Å; W166-R170 HydrophobicContact CZ2-CB 4.37Å; W166-R170 HydrophobicContact CZ2-CG 4.23Å; W166-R170 HydrophobicContact CZ3-CB 3.88Å; W166-R170 HydrophobicContact CZ3-CG 3.9Å; W166-R170 VanDerWaalsContact O-CB 3.27Å; W166-R170 WeakPolarHBondContact O-CB 3.41Å; W166-R170 PolarHBondContact O-N 3.02Å; Y167-R170 PolarHBondContact O-N 3.45Å; Q168-R170 VanDerWaalsContact C-N 3.35Å; R170-T172 VanDerWaalsContact C-N 3.33Å; R170-K173 PolarHBondContact O-N 2.99Å; R170-W174 WeakPolarHBondContact O-CB 3.39Å; R170-W174 PolarHBondContact O-N 3.39Å |
| 171 | R | 97.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 72.4 Ų | 72.4 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 172 | -75.7 | -166.5 | -64.7 | -89 | 1.6 | 112.3 | F138 R142 Y167 W174 K175 | F138-R171 HydrophobicContact CE2-CG 3.75Å; F138-R171 HydrophobicContact CZ-CG 4.13Å; R142-R171 WeakPolarHBondContact O-CD 3.22Å; R142-R171 PolarHBondContact O-NH1 2.9Å; Y167-R171 WeakPolarHBondContact O-CG 3.35Å; Y167-R171 PolarHBondContact O-N 2.95Å; R171-W174 PolarHBondContact O-N 3.36Å; R171-K175 WeakPolarHBondContact O-CB 3.43Å; R171-K175 PolarHBondContact O-N 3.02Å |
| 172 | T | 96.2 | Very high | 92.4 | Very high | 42 Ų | 42 | 76 Ų | 76 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 177.1 | -58 | 0 | 0 | 0 | 0 | 111.1 | Q168 N169 R170 K175 R176 | Q168-T172 PolarHBondContact O-N 2.8Å; Q168-T172 PolarHBondContact O-OG1 2.93Å; N169-T172 WeakPolarHBondContact O-CB 3.36Å; N169-T172 PolarHBondContact O-N 3.06Å; R170-T172 VanDerWaalsContact C-N 3.33Å; T172-K175 PolarHBondContact O-N 3.46Å; T172-R176 WeakPolarHBondContact O-CG 3.25Å; T172-R176 PolarHBondContact O-N 3.39Å |
| 173 | K | 95.2 | Very high | 91.5 | Very high | 124 Ų | 124 | 83.7 Ų | 83.7 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 174.4 | -174.1 | 179.1 | -178.2 | -177.6 | 0 | 111.5 | N169 R170 K175 R176 Q177 | N169-K173 PolarHBondContact O-N 3.38Å; R170-K173 PolarHBondContact O-N 2.99Å; K173-K175 PolarHBondContact O-N 2.78Å; K173-R176 PolarHBondContact O-N 3.32Å; K173-Q177 VanDerWaalsContact O-CG 3.32Å; K173-Q177 WeakPolarHBondContact O-CG 3.45Å; K173-Q177 PolarHBondContact O-N 3.02Å |
| 174 | W | 94.7 | Very high | 90 | Very high | 70 Ų | 70 | 87.7 Ų | 87.7 | 27% | 0.265 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 177.7 | 176.6 | 77.2 | 0 | 0 | 0 | 111.8 | F138 R170 R171 R176 Q177 M178 | F138-W174 HydrophobicContact CE1-CB 4.4Å; F138-W174 HydrophobicContact CE1-CG 4.47Å; F138-W174 HydrophobicContact CZ-CB 4.26Å; F138-W174 HydrophobicContact CZ-CG 4.49Å; R170-W174 WeakPolarHBondContact O-CB 3.39Å; R170-W174 PolarHBondContact O-N 3.39Å; R171-W174 PolarHBondContact O-N 3.36Å; W174-R176 VanDerWaalsContact C-N 3.33Å; W174-R176 PolarHBondContact O-N 3.24Å; W174-Q177 WeakPolarHBondContact O-CB 3.23Å; W174-Q177 PolarHBondContact O-N 3.46Å; W174-Q177 VanDerWaalsContact O-N 3.13Å; W174-M178 HydrophobicContact CD2-CG 4.07Å; W174-M178 HydrophobicContact CH2-CG 4.31Å; W174-M178 HydrophobicContact CZ2-CG 3.79Å; W174-M178 HydrophobicContact CZ2-SD 4.26Å; W174-M178 WeakPolarHBondContact O-CG 3.37Å; W174-M178 PolarHBondContact O-N 3.34Å |
| 175 | K | 92.1 | Very high | 88.2 | Confident | 133 Ų | 133 | 89.4 Ų | 89.4 | 58% | 0.578 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.3 | -45.9 | 176.9 | -176.6 | 174.4 | 65.3 | 170.8 | 0 | 111.6 | R171 T172 K173 Q177 M178 T179 | R171-K175 WeakPolarHBondContact O-CB 3.43Å; R171-K175 PolarHBondContact O-N 3.02Å; T172-K175 PolarHBondContact O-N 3.46Å; K173-K175 PolarHBondContact O-N 2.78Å; K175-Q177 VanDerWaalsContact C-N 3.34Å; K175-Q177 PolarHBondContact O-N 3.22Å; K175-M178 PolarHBondContact O-N 2.93Å; K175-T179 PolarHBondContact O-N 2.98Å; K175-T179 PolarHBondContact O-OG1 3.37Å; K175-T179 VanDerWaalsContact O-OG1 3.04Å |
| 176 | R | 89.7 | Confident | 86.4 | Confident | 175 Ų | 175 | 93.3 Ų | 93.3 | 66% | 0.66 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.1 | -44.9 | 176.1 | -72.5 | 175.1 | 179.5 | 172.1 | 0.1 | 111.6 | T172 K173 W174 M178 T179 T180 | T172-R176 WeakPolarHBondContact O-CG 3.25Å; T172-R176 PolarHBondContact O-N 3.39Å; K173-R176 PolarHBondContact O-N 3.32Å; W174-R176 VanDerWaalsContact C-N 3.33Å; W174-R176 PolarHBondContact O-N 3.24Å; R176-M178 PolarHBondContact O-N 3.21Å; R176-T179 PolarHBondContact O-N 3.06Å; R176-T180 PolarHBondContact O-N 2.88Å; R176-T180 PolarHBondContact O-OG1 3.42Å; R176-T180 VanDerWaalsContact O-OG1 3.06Å |
| 177 | Q | 88.9 | Confident | 84.4 | Confident | 68 Ų | 68 | 96 Ų | 96 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 176.8 | -70.2 | 168.4 | -39.2 | 0 | 0 | 111.6 | K173 W174 K175 T180 I181 | K173-Q177 VanDerWaalsContact O-CG 3.32Å; K173-Q177 WeakPolarHBondContact O-CG 3.45Å; K173-Q177 PolarHBondContact O-N 3.02Å; W174-Q177 WeakPolarHBondContact O-CB 3.23Å; W174-Q177 PolarHBondContact O-N 3.46Å; W174-Q177 VanDerWaalsContact O-N 3.13Å; K175-Q177 VanDerWaalsContact C-N 3.34Å; K175-Q177 PolarHBondContact O-N 3.22Å; Q177-T180 PolarHBondContact O-N 2.87Å; Q177-I181 WeakPolarHBondContact O-CD1 3.4Å; Q177-I181 VanDerWaalsContact O-CG1 3.25Å; Q177-I181 WeakPolarHBondContact O-CG1 3.31Å; Q177-I181 PolarHBondContact O-N 3.33Å |
| 178 | M | 86.1 | Confident | 81.8 | Confident | 51 Ų | 51 | 103.2 Ų | 103.2 | 25% | 0.251 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.9 | -63.4 | -58.2 | 101.5 | 0 | 0 | 111.9 | W174 K175 R176 T180 I181 L182 | W174-M178 HydrophobicContact CD2-CG 4.07Å; W174-M178 HydrophobicContact CH2-CG 4.31Å; W174-M178 HydrophobicContact CZ2-CG 3.79Å; W174-M178 HydrophobicContact CZ2-SD 4.26Å; W174-M178 WeakPolarHBondContact O-CG 3.37Å; W174-M178 PolarHBondContact O-N 3.34Å; K175-M178 PolarHBondContact O-N 2.93Å; R176-M178 PolarHBondContact O-N 3.21Å; M178-T180 PolarHBondContact O-N 3.07Å; M178-I181 HydrophobicContact CE-CD1 3.75Å; M178-I181 PolarHBondContact O-N 3.33Å; M178-L182 VanDerWaalsContact O-CG 3.29Å; M178-L182 WeakPolarHBondContact O-CG 3.24Å; M178-L182 PolarHBondContact O-N 3.02Å |
| 179 | T | 82.5 | Confident | 79.3 | Confident | 89 Ų | 89 | 107.2 Ų | 107.2 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | K175 R176 L182 R183 | K175-T179 PolarHBondContact O-N 2.98Å; K175-T179 PolarHBondContact O-OG1 3.37Å; K175-T179 VanDerWaalsContact O-OG1 3.04Å; R176-T179 PolarHBondContact O-N 3.06Å; T179-L182 PolarHBondContact O-N 3.37Å; T179-R183 PolarHBondContact O-N 3.26Å; T179-R183 VanDerWaalsContact O-N 3.08Å |
| 180 | T | 80.1 | Confident | 76.6 | Confident | 78 Ų | 78 | 109.4 Ų | 109.4 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.3 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | R176 Q177 M178 R183 N184 | R176-T180 PolarHBondContact O-N 2.88Å; R176-T180 PolarHBondContact O-OG1 3.42Å; R176-T180 VanDerWaalsContact O-OG1 3.06Å; Q177-T180 PolarHBondContact O-N 2.87Å; M178-T180 PolarHBondContact O-N 3.07Å; T180-R183 PolarHBondContact O-N 3.43Å; T180-N184 WeakPolarHBondContact O-CB 3.46Å; T180-N184 PolarHBondContact O-N 3.45Å |
| 181 | I | 79.2 | Confident | 74.2 | Confident | 91 Ų | 91 | 116.2 Ų | 116.2 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -43.7 | 176.8 | -68.1 | 163.5 | 0 | 0 | 0 | 110.7 | Q177 M178 R183 N184 K185 | Q177-I181 WeakPolarHBondContact O-CD1 3.4Å; Q177-I181 VanDerWaalsContact O-CG1 3.25Å; Q177-I181 WeakPolarHBondContact O-CG1 3.31Å; Q177-I181 PolarHBondContact O-N 3.33Å; M178-I181 HydrophobicContact CE-CD1 3.75Å; M178-I181 PolarHBondContact O-N 3.33Å; I181-R183 VanDerWaalsContact C-N 3.29Å; I181-R183 PolarHBondContact O-N 3.19Å; I181-N184 PolarHBondContact O-N 3.27Å; I181-K185 PolarHBondContact O-N 3.48Å |
| 182 | L | 77.3 | Confident | 71.7 | Confident | 111 Ų | 111 | 121.1 Ų | 121.1 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.4 | -35.3 | 178.1 | -70.3 | 171.3 | 0 | 0 | 0 | 112.6 | M178 T179 | M178-L182 VanDerWaalsContact O-CG 3.29Å; M178-L182 WeakPolarHBondContact O-CG 3.24Å; M178-L182 PolarHBondContact O-N 3.02Å; T179-L182 PolarHBondContact O-N 3.37Å |
| 183 | R | 78.9 | Confident | 69.5 | Low | 215 Ų | 215 | 125.8 Ų | 125.8 | 81% | 0.811 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72 | -35.8 | 176.1 | -175.1 | -179.5 | 176.1 | -167.8 | -1.6 | 112.8 | T179 T180 I181 | T179-R183 PolarHBondContact O-N 3.26Å; T179-R183 VanDerWaalsContact O-N 3.08Å; T180-R183 PolarHBondContact O-N 3.43Å; I181-R183 VanDerWaalsContact C-N 3.29Å; I181-R183 PolarHBondContact O-N 3.19Å |
| 184 | N | 66.6 | Low | 67.5 | Low | 86 Ų | 86 | 123 Ų | 123 | 46% | 0.46 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | 13.3 | -173.5 | -66.6 | -5.9 | 0 | 0 | 0 | 113.7 | T180 I181 D186 S187 | T180-N184 WeakPolarHBondContact O-CB 3.46Å; T180-N184 PolarHBondContact O-N 3.45Å; I181-N184 PolarHBondContact O-N 3.27Å; N184-D186 PolarHBondContact O-N 2.93Å; N184-S187 PolarHBondContact O-N 3.04Å |
| 185 | K | 58.7 | Low | 65.3 | Low | 158 Ų | 158 | 124 Ų | 124 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -19.5 | 179.1 | -86 | -175.6 | 171.5 | 179.1 | 0 | 114.1 | I181 | I181-K185 PolarHBondContact O-N 3.48Š|
| 186 | D | 61.1 | Low | 63.2 | Low | 157 Ų | 157 | 124.2 Ų | 124.2 | 84% | 0.84 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -10.5 | 176.6 | -60.9 | -37.5 | 0 | 0 | 0 | 114.2 | N184 | N184-D186 PolarHBondContact O-N 2.93Š|
| 187 | S | 55.3 | Low | 61.4 | Low | 90 Ų | 90 | 117.4 Ų | 117.4 | 63% | 0.629 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -112.9 | 95.3 | -178.5 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | N184 K189 | N184-S187 PolarHBondContact O-N 3.04Å; S187-K189 PolarHBondContact O-N 2.93Å |
| 188 | N | 44.9 | Very low | 59.7 | Low | 157 Ų | 157 | 121.7 Ų | 121.7 | 84% | 0.84 | 61% | 0.612 | S | S | * | * | trans | -42.5 | 133.9 | 164.8 | -89.7 | -47.9 | 0 | 0 | 0 | 111.7 | ||||
| 189 | K | 44 | Very low | 58.1 | Low | 181 Ų | 181 | 126.7 Ų | 126.7 | 79% | 0.787 | 63% | 0.632 | S | S | * | * | trans | 83.7 | 108.3 | 171.4 | -50.6 | 176.3 | -176.5 | 179 | 0 | 115.3 | S187 | S187-K189 PolarHBondContact O-N 2.93Š| ||
| 190 | N | 42.4 | Very low | 56.7 | Low | 148 Ų | 148 | 123.8 Ų | 123.8 | 79% | 0.791 | 61% | 0.613 | S | S | * | * | S | Bend | 178.5 | 106.7 | 114 | -79.9 | -30.3 | 0 | 0 | 0 | 110.9 | |||
| 191 | Q | 46.7 | Very low | 55.5 | Low | 175 Ų | 175 | 121 Ų | 121 | 82% | 0.818 | 60% | 0.595 | S | S | * | * | trans | 50.5 | 73.1 | 153.5 | -57.1 | 177.6 | 22.6 | 0 | 0 | 115.8 | L193 | Q191-L193 PolarHBondContact O-N 3.45Š| ||
| 192 | L | 45.6 | Very low | 54.4 | Low | 145 Ų | 145 | 118.9 Ų | 118.9 | 76% | 0.759 | 59% | 0.589 | S | S | * | * | 46 | 54.7 | 87.6 | -97.7 | 162.6 | 0 | 0 | 0 | 114.9 | E194 P195 | L192-E194 VanDerWaalsContact C-N 3.29Å; L192-P195 HydrophobicContact CD2-CG 3.72Å | |||
| 193 | L | 50.1 | Low | 53.4 | Low | 140 Ų | 140 | 118.1 Ų | 118.1 | 73% | 0.733 | 59% | 0.585 | S | S | * | * | trans | -93.3 | 50.2 | 153.6 | -66.9 | 177.8 | 0 | 0 | 0 | 110.3 | Q191 N197 | Q191-L193 PolarHBondContact O-N 3.45Å; L193-N197 PolarHBondContact O-ND2 3.37Å | ||
| 194 | E | 53.4 | Low | 52.1 | Low | 64 Ų | 64 | 108.6 Ų | 108.6 | 30% | 0.299 | 55% | 0.551 | S | S | . | * | trans | -141 | 8.7 | -177.2 | -86.4 | -54.1 | 139.3 | 0 | 0 | 119.1 | L192 N197 | L192-E194 VanDerWaalsContact C-N 3.29Å; E194-N197 PolarHBondContact OE1-ND2 3.28Å | ||
| 195 | P | 46.9 | Very low | 51.6 | Low | 92 Ų | 92 | 110 Ų | 110 | 60% | 0.597 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -80.7 | -35.3 | 163.3 | -17.1 | 32.5 | 0 | 0 | 0 | 112.9 | L192 | L192-P195 HydrophobicContact CD2-CG 3.72Å |
| 196 | F | 48.7 | Very low | 51.4 | Low | 138 Ų | 138 | 107.7 Ų | 107.7 | 61% | 0.605 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -79.3 | -32.9 | -172.5 | -164.2 | -105.2 | 0 | 0 | 0 | 113.1 | K199 I200 | F196-K199 PolarHBondContact O-N 3.5Å; F196-I200 HydrophobicContact CD1-CG1 3.91Å; F196-I200 HydrophobicContact CE1-CD1 4.02Å; F196-I200 HydrophobicContact CE1-CG1 3.55Å; F196-I200 HydrophobicContact CE2-CG1 4.46Å; F196-I200 HydrophobicContact CZ-CD1 3.86Å; F196-I200 HydrophobicContact CZ-CG1 3.86Å; F196-I200 WeakPolarHBondContact O-CG1 3.12Å; F196-I200 PolarHBondContact O-N 3.38Å |
| 197 | N | 52.8 | Low | 50.8 | Low | 32 Ų | 32 | 106.1 Ų | 106.1 | 17% | 0.171 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | -178.7 | -68.8 | -19.9 | 0 | 0 | 0 | 111.9 | L139 L193 E194 K199 T201 | L139-N197 HydrophobicContact CD2-CB 4.33Å; L139-N197 WeakPolarHBondContact CD2-OD1 3.48Å; L193-N197 PolarHBondContact O-ND2 3.37Å; E194-N197 PolarHBondContact OE1-ND2 3.28Å; N197-K199 PolarHBondContact O-N 3.45Å; N197-T201 VanDerWaalsContact O-CB 3.23Å; N197-T201 WeakPolarHBondContact O-CB 3.42Å; N197-T201 PolarHBondContact O-N 3.13Å; N197-T201 PolarHBondContact O-OG1 2.97Å |
| 198 | F | 51.7 | Low | 50.5 | Low | 158 Ų | 158 | 104.1 Ų | 104.1 | 69% | 0.693 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 178.7 | -103.6 | -87.3 | 0 | 0 | 0 | 113 | S202 | F198-S202 WeakPolarHBondContact O-CB 3.48Å; F198-S202 PolarHBondContact O-N 3.07Å; F198-S202 PolarHBondContact O-OG 3.45Å |
| 199 | K | 52.2 | Low | 50.7 | Low | 156 Ų | 156 | 101.1 Ų | 101.1 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.4 | -43.8 | -178.4 | -162.9 | 170.8 | -175.6 | 178.9 | 0 | 111.9 | F196 N197 S202 L203 | F196-K199 PolarHBondContact O-N 3.5Å; N197-K199 PolarHBondContact O-N 3.45Å; K199-S202 PolarHBondContact O-N 2.82Å; K199-S202 PolarHBondContact O-OG 3.31Å; K199-L203 PolarHBondContact O-N 3.33Å |
| 200 | I | 53.7 | Low | 51 | Low | 28 Ų | 28 | 96.2 Ų | 96.2 | 14% | 0.144 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 174.7 | -65 | -60.6 | 0 | 0 | 0 | 111.2 | L139 F196 S202 L203 C204 | L139-I200 HydrophobicContact CB-CG2 3.84Å; L139-I200 HydrophobicContact CD1-CG2 4.44Å; F196-I200 HydrophobicContact CD1-CG1 3.91Å; F196-I200 HydrophobicContact CE1-CD1 4.02Å; F196-I200 HydrophobicContact CE1-CG1 3.55Å; F196-I200 HydrophobicContact CE2-CG1 4.46Å; F196-I200 HydrophobicContact CZ-CD1 3.86Å; F196-I200 HydrophobicContact CZ-CG1 3.86Å; F196-I200 WeakPolarHBondContact O-CG1 3.12Å; F196-I200 PolarHBondContact O-N 3.38Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 3.49Å; I200-L203 PolarHBondContact O-N 3.41Å; I200-C204 WeakPolarHBondContact O-CB 3.45Å; I200-C204 PolarHBondContact O-N 3.22Å |
| 201 | T | 55.2 | Low | 51.4 | Low | 18 Ų | 18 | 91.8 Ų | 91.8 | 11% | 0.11 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 111 | L139 N197 K205 | L139-T201 PolarHBondContact O-OG1 3.2Å; N197-T201 VanDerWaalsContact O-CB 3.23Å; N197-T201 WeakPolarHBondContact O-CB 3.42Å; N197-T201 PolarHBondContact O-N 3.13Å; N197-T201 PolarHBondContact O-OG1 2.97Å; T201-K205 HydrophobicContact CG2-CD 3.88Å; T201-K205 VanDerWaalsContact CG2-CE 3.47Å; T201-K205 HydrophobicContact CG2-CG 4.32Å; T201-K205 WeakPolarHBondContact O-CB 3.21Å; T201-K205 WeakPolarHBondContact O-CG 3.34Å; T201-K205 PolarHBondContact O-N 3.43Å |
| 202 | S | 55.3 | Low | 51.7 | Low | 48 Ų | 48 | 88.9 Ų | 88.9 | 34% | 0.336 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 176.1 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | F198 K199 I200 K205 Q206 | F198-S202 WeakPolarHBondContact O-CB 3.48Å; F198-S202 PolarHBondContact O-N 3.07Å; F198-S202 PolarHBondContact O-OG 3.45Å; K199-S202 PolarHBondContact O-N 2.82Å; K199-S202 PolarHBondContact O-OG 3.31Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 3.49Å; S202-K205 PolarHBondContact O-N 3.36Å; S202-Q206 VanDerWaalsContact O-CG 3.31Å; S202-Q206 WeakPolarHBondContact O-CG 3.48Å; S202-Q206 PolarHBondContact O-N 3.45Å |
| 203 | L | 57.1 | Low | 51.8 | Low | 94 Ų | 94 | 89 Ų | 89 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 179.6 | -172.2 | 67.9 | 0 | 0 | 0 | 111.4 | K199 I200 Q207 | K199-L203 PolarHBondContact O-N 3.33Å; I200-L203 PolarHBondContact O-N 3.41Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 3.38Å |
| 204 | C | 51.8 | Low | 51.7 | Low | 16 Ų | 16 | 88.1 Ų | 88.1 | 11% | 0.108 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 172.8 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | C140 I200 Q206 Q207 T208 | C140-C204 WeakPolarHBondContact CA-SG 3.43Å; C140-C204 HydrophobicContact CB-CB 3.71Å; C140-C204 WeakPolarHBondContact CB-SG 3.16Å; C140-C204 WeakPolarHBondContact SG-CB 3.4Å; C140-C204 VanDerWaalsContact SG-SG 3.68Å; I200-C204 WeakPolarHBondContact O-CB 3.45Å; I200-C204 PolarHBondContact O-N 3.22Å; C204-Q206 VanDerWaalsContact C-N 3.29Å; C204-Q206 PolarHBondContact O-N 2.99Å; C204-Q207 WeakPolarHBondContact O-CA 3.44Å; C204-Q207 WeakPolarHBondContact O-CB 3.49Å; C204-Q207 PolarHBondContact O-N 3.33Å; C204-T208 PolarHBondContact O-N 3.31Å; C204-T208 PolarHBondContact O-OG1 2.96Å |
| 205 | K | 56.9 | Low | 51.7 | Low | 115 Ų | 115 | 89.7 Ų | 89.7 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 175.6 | -80.4 | 175.5 | 177.6 | -174.8 | 0 | 112 | T201 S202 Q207 T208 E209 | T201-K205 HydrophobicContact CG2-CD 3.88Å; T201-K205 VanDerWaalsContact CG2-CE 3.47Å; T201-K205 HydrophobicContact CG2-CG 4.32Å; T201-K205 WeakPolarHBondContact O-CB 3.21Å; T201-K205 WeakPolarHBondContact O-CG 3.34Å; T201-K205 PolarHBondContact O-N 3.43Å; S202-K205 PolarHBondContact O-N 3.36Å; K205-Q207 VanDerWaalsContact C-N 3.3Å; K205-Q207 PolarHBondContact O-N 3.05Å; K205-T208 WeakPolarHBondContact CA-OG1 3.43Å; K205-T208 CarbonylContact O-C 3.6Å; K205-T208 PolarHBondContact O-N 3.1Å; K205-T208 PolarHBondContact O-OG1 3.36Å; K205-E209 VanDerWaalsContact O-CB 3.28Å; K205-E209 WeakPolarHBondContact O-CB 3.41Å; K205-E209 VanDerWaalsContact O-CG 3.29Å; K205-E209 WeakPolarHBondContact O-CG 3.24Å; K205-E209 PolarHBondContact O-N 3.06Å |
| 206 | Q | 52.8 | Low | 52 | Low | 110 Ų | 110 | 88.5 Ų | 88.5 | 51% | 0.514 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 174.3 | -72.5 | 172.3 | 35 | 0 | 0 | 112.2 | S202 C204 T210 | S202-Q206 VanDerWaalsContact O-CG 3.31Å; S202-Q206 WeakPolarHBondContact O-CG 3.48Å; S202-Q206 PolarHBondContact O-N 3.45Å; C204-Q206 VanDerWaalsContact C-N 3.29Å; C204-Q206 PolarHBondContact O-N 2.99Å; Q206-T210 WeakPolarHBondContact O-CB 3.32Å; Q206-T210 VanDerWaalsContact O-CG2 3.3Å; Q206-T210 WeakPolarHBondContact O-CG2 3.37Å; Q206-T210 PolarHBondContact O-N 3.38Å; Q206-T210 PolarHBondContact O-OG1 3.26Å |
| 207 | Q | 48.6 | Very low | 52.1 | Low | 123 Ų | 123 | 84.4 Ų | 84.4 | 58% | 0.575 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.1 | -39.4 | 173.7 | -69.1 | 176.5 | 24.6 | 0 | 0 | 112.3 | L203 C204 K205 T210 S211 | L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 3.38Å; C204-Q207 WeakPolarHBondContact O-CA 3.44Å; C204-Q207 WeakPolarHBondContact O-CB 3.49Å; C204-Q207 PolarHBondContact O-N 3.33Å; K205-Q207 VanDerWaalsContact C-N 3.3Å; K205-Q207 PolarHBondContact O-N 3.05Å; Q207-T210 WeakPolarHBondContact CA-OG1 3.3Å; Q207-T210 PolarHBondContact O-OG1 3.08Å; Q207-S211 WeakPolarHBondContact O-CB 3.23Å; Q207-S211 PolarHBondContact O-N 3.08Å |
| 208 | T | 50.4 | Low | 51.9 | Low | 49 Ų | 49 | 87.4 Ų | 87.4 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72 | -35.4 | 175.1 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | C204 K205 S211 Q212 | C204-T208 PolarHBondContact O-N 3.31Å; C204-T208 PolarHBondContact O-OG1 2.96Å; K205-T208 WeakPolarHBondContact CA-OG1 3.43Å; K205-T208 CarbonylContact O-C 3.6Å; K205-T208 PolarHBondContact O-N 3.1Å; K205-T208 PolarHBondContact O-OG1 3.36Å; T208-S211 PolarHBondContact O-N 3.37Å; T208-Q212 WeakPolarHBondContact O-CB 3.24Å; T208-Q212 WeakPolarHBondContact O-CG 3.41Å; T208-Q212 PolarHBondContact O-N 3.49Å |
| 209 | E | 47.3 | Very low | 52 | Low | 93 Ų | 93 | 87.6 Ų | 87.6 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.6 | -47 | 174.9 | -80 | 171.7 | -159.9 | 0 | 0 | 109.3 | K205 S211 Q212 Y213 | K205-E209 VanDerWaalsContact O-CB 3.28Å; K205-E209 WeakPolarHBondContact O-CB 3.41Å; K205-E209 VanDerWaalsContact O-CG 3.29Å; K205-E209 WeakPolarHBondContact O-CG 3.24Å; K205-E209 PolarHBondContact O-N 3.06Å; E209-S211 PolarHBondContact O-N 3.48Å; E209-Q212 CarbonylContact O-C 3.57Å; E209-Q212 PolarHBondContact O-N 3.33Å; E209-Y213 VanDerWaalsContact C-CD2 3.49Å; E209-Y213 HydrophobicContact CB-CD2 4.16Å; E209-Y213 HydrophobicContact CB-CE2 4.02Å; E209-Y213 VanDerWaalsContact O-CB 3.32Å; E209-Y213 WeakPolarHBondContact O-CB 3.48Å; E209-Y213 WeakPolarHBondContact O-CD2 3.42Å; E209-Y213 PolarHBondContact O-N 2.97Å |
| 210 | T | 50.8 | Low | 52 | Low | 79 Ų | 79 | 87.1 Ų | 87.1 | 49% | 0.485 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 175.4 | 48 | 0 | 0 | 0 | 0 | 112.5 | Q206 Q207 Y213 Q214 | Q206-T210 WeakPolarHBondContact O-CB 3.32Å; Q206-T210 VanDerWaalsContact O-CG2 3.3Å; Q206-T210 WeakPolarHBondContact O-CG2 3.37Å; Q206-T210 PolarHBondContact O-N 3.38Å; Q206-T210 PolarHBondContact O-OG1 3.26Å; Q207-T210 WeakPolarHBondContact CA-OG1 3.3Å; Q207-T210 PolarHBondContact O-OG1 3.08Å; T210-Y213 PolarHBondContact O-N 3.44Å; T210-Q214 WeakPolarHBondContact O-CB 3.26Å; T210-Q214 VanDerWaalsContact O-CG 3.25Å; T210-Q214 WeakPolarHBondContact O-CG 3.38Å; T210-Q214 PolarHBondContact O-N 3.32Å |
| 211 | S | 50.7 | Low | 52.1 | Low | 55 Ų | 55 | 89.7 Ų | 89.7 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | Q207 T208 E209 Q214 I215 | Q207-S211 WeakPolarHBondContact O-CB 3.23Å; Q207-S211 PolarHBondContact O-N 3.08Å; T208-S211 PolarHBondContact O-N 3.37Å; E209-S211 PolarHBondContact O-N 3.48Å; S211-Q214 WeakPolarHBondContact O-CB 3.47Å; S211-Q214 PolarHBondContact O-N 2.96Å; S211-I215 VanDerWaalsContact O-CG1 3.25Å; S211-I215 WeakPolarHBondContact O-CG1 3.13Å; S211-I215 PolarHBondContact O-N 3.32Å |
| 212 | Q | 53.2 | Low | 52.1 | Low | 113 Ų | 113 | 93.7 Ų | 93.7 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 173.8 | -77.6 | -178.3 | 4.8 | 0 | 0 | 112 | T208 E209 Q214 I215 I216 | T208-Q212 WeakPolarHBondContact O-CB 3.24Å; T208-Q212 WeakPolarHBondContact O-CG 3.41Å; T208-Q212 PolarHBondContact O-N 3.49Å; E209-Q212 CarbonylContact O-C 3.57Å; E209-Q212 PolarHBondContact O-N 3.33Å; Q212-Q214 VanDerWaalsContact C-N 3.27Å; Q212-Q214 PolarHBondContact O-N 2.94Å; Q212-I215 PolarHBondContact O-N 3.08Å; Q212-I216 VanDerWaalsContact O-CB 3.23Å; Q212-I216 WeakPolarHBondContact O-CB 3.35Å; Q212-I216 WeakPolarHBondContact O-CD1 3.37Å; Q212-I216 WeakPolarHBondContact O-CG1 3.27Å; Q212-I216 PolarHBondContact O-N 3Å |
| 213 | Y | 48.1 | Very low | 52.2 | Low | 149 Ų | 149 | 96.7 Ų | 96.7 | 58% | 0.584 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.4 | -37.3 | 173.4 | -79.5 | -64.7 | 0 | 0 | 0 | 110.2 | E209 T210 S217 | E209-Y213 VanDerWaalsContact C-CD2 3.49Å; E209-Y213 HydrophobicContact CB-CD2 4.16Å; E209-Y213 HydrophobicContact CB-CE2 4.02Å; E209-Y213 VanDerWaalsContact O-CB 3.32Å; E209-Y213 WeakPolarHBondContact O-CB 3.48Å; E209-Y213 WeakPolarHBondContact O-CD2 3.42Å; E209-Y213 PolarHBondContact O-N 2.97Å; T210-Y213 PolarHBondContact O-N 3.44Å; Y213-S217 WeakPolarHBondContact O-CA 3.44Å; Y213-S217 WeakPolarHBondContact O-CB 3.45Å; Y213-S217 PolarHBondContact O-N 2.83Å; Y213-S217 PolarHBondContact O-OG 3.07Å |
| 214 | Q | 49.2 | Very low | 52.5 | Low | 121 Ų | 121 | 96.9 Ų | 96.9 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 172 | -74.4 | 172.6 | -4.7 | 0 | 0 | 112.2 | T210 S211 Q212 S217 N218 | T210-Q214 WeakPolarHBondContact O-CB 3.26Å; T210-Q214 VanDerWaalsContact O-CG 3.25Å; T210-Q214 WeakPolarHBondContact O-CG 3.38Å; T210-Q214 PolarHBondContact O-N 3.32Å; S211-Q214 WeakPolarHBondContact O-CB 3.47Å; S211-Q214 PolarHBondContact O-N 2.96Å; Q212-Q214 VanDerWaalsContact C-N 3.27Å; Q212-Q214 PolarHBondContact O-N 2.94Å; Q214-S217 WeakPolarHBondContact CA-OG 3.25Å; Q214-S217 PolarHBondContact O-N 3.38Å; Q214-S217 PolarHBondContact O-OG 3.32Å; Q214-N218 WeakPolarHBondContact O-CB 3.47Å; Q214-N218 PolarHBondContact O-N 3Å; Q214-N218 PolarHBondContact O-ND2 3.43Å; Q214-N218 PolarHBondContact O-OD1 3.31Å |
| 215 | I | 53.2 | Low | 52.9 | Low | 96 Ų | 96 | 103.7 Ų | 103.7 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 176.4 | -67 | 162.2 | 0 | 0 | 0 | 110.7 | S211 Q212 R219 | S211-I215 VanDerWaalsContact O-CG1 3.25Å; S211-I215 WeakPolarHBondContact O-CG1 3.13Å; S211-I215 PolarHBondContact O-N 3.32Å; Q212-I215 PolarHBondContact O-N 3.08Å; I215-R219 VanDerWaalsContact O-CB 3.3Å; I215-R219 WeakPolarHBondContact O-CB 3.42Å; I215-R219 PolarHBondContact O-N 3.29Å |
| 216 | I | 52.3 | Low | 53.5 | Low | 68 Ų | 68 | 102 Ų | 102 | 35% | 0.349 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 177.8 | -68.2 | 165.1 | 0 | 0 | 0 | 110.2 | Q212 R219 R220 | Q212-I216 VanDerWaalsContact O-CB 3.23Å; Q212-I216 WeakPolarHBondContact O-CB 3.35Å; Q212-I216 WeakPolarHBondContact O-CD1 3.37Å; Q212-I216 WeakPolarHBondContact O-CG1 3.27Å; Q212-I216 PolarHBondContact O-N 3Å; I216-R219 PolarHBondContact O-N 3.32Å; I216-R220 WeakPolarHBondContact O-CB 3.36Å; I216-R220 WeakPolarHBondContact O-CG 3.48Å; I216-R220 PolarHBondContact O-N 2.91Å |
| 217 | S | 51.1 | Low | 54.3 | Low | 52 Ų | 52 | 101.2 Ų | 101.2 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 175.9 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | Y213 Q214 R219 R220 T221 | Y213-S217 WeakPolarHBondContact O-CA 3.44Å; Y213-S217 WeakPolarHBondContact O-CB 3.45Å; Y213-S217 PolarHBondContact O-N 2.83Å; Y213-S217 PolarHBondContact O-OG 3.07Å; Q214-S217 WeakPolarHBondContact CA-OG 3.25Å; Q214-S217 PolarHBondContact O-N 3.38Å; Q214-S217 PolarHBondContact O-OG 3.32Å; S217-R219 VanDerWaalsContact C-N 3.34Å; S217-R219 PolarHBondContact O-N 2.82Å; S217-R220 CarbonylContact O-C 3.56Å; S217-R220 PolarHBondContact O-N 2.78Å; S217-T221 WeakPolarHBondContact O-CG2 3.39Å; S217-T221 PolarHBondContact O-N 3.17Å; S217-T221 PolarHBondContact O-OG1 3.11Å |
| 218 | N | 48.9 | Very low | 55.5 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 175 | -71.8 | -9.3 | 0 | 0 | 0 | 111.9 | Q214 T221 N222 | Q214-N218 WeakPolarHBondContact O-CB 3.47Å; Q214-N218 PolarHBondContact O-N 3Å; Q214-N218 PolarHBondContact O-ND2 3.43Å; Q214-N218 PolarHBondContact O-OD1 3.31Å; N218-T221 VanDerWaalsContact CA-OG1 3.31Å; N218-T221 WeakPolarHBondContact CA-OG1 3.29Å; N218-T221 PolarHBondContact O-OG1 3.09Å; N218-N222 WeakPolarHBondContact O-CB 3.32Å; N218-N222 PolarHBondContact O-N 3.14Å |
| 219 | R | 54.1 | Low | 56.7 | Low | 161 Ų | 161 | 106 Ų | 106 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -42.6 | 172.7 | -168.2 | -178.7 | -77.7 | 168.2 | -6.1 | 110.9 | I215 I216 S217 N222 E223 | I215-R219 VanDerWaalsContact O-CB 3.3Å; I215-R219 WeakPolarHBondContact O-CB 3.42Å; I215-R219 PolarHBondContact O-N 3.29Å; I216-R219 PolarHBondContact O-N 3.32Å; S217-R219 VanDerWaalsContact C-N 3.34Å; S217-R219 PolarHBondContact O-N 2.82Å; R219-N222 PolarHBondContact O-N 3.44Å; R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 WeakPolarHBondContact O-CG 3.48Å; R219-E223 PolarHBondContact O-N 3.28Å |
| 220 | R | 52.3 | Low | 58.2 | Low | 147 Ų | 147 | 102.9 Ų | 102.9 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -38.6 | 174.6 | -74.9 | -174.1 | -138.4 | -170.1 | 6.4 | 112.3 | I216 S217 N222 E223 N224 | I216-R220 WeakPolarHBondContact O-CB 3.36Å; I216-R220 WeakPolarHBondContact O-CG 3.48Å; I216-R220 PolarHBondContact O-N 2.91Å; S217-R220 CarbonylContact O-C 3.56Å; S217-R220 PolarHBondContact O-N 2.78Å; R220-N222 VanDerWaalsContact C-N 3.33Å; R220-E223 PolarHBondContact O-N 2.91Å; R220-N224 WeakPolarHBondContact O-CB 3.39Å; R220-N224 VanDerWaalsContact O-CG 3.22Å; R220-N224 PolarHBondContact O-N 3.42Å; R220-N224 PolarHBondContact O-ND2 2.84Å |
| 221 | T | 55.8 | Low | 59.9 | Low | 82 Ų | 82 | 106.8 Ų | 106.8 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 175.3 | 53 | 0 | 0 | 0 | 0 | 110.9 | S217 N218 Y225 | S217-T221 WeakPolarHBondContact O-CG2 3.39Å; S217-T221 PolarHBondContact O-N 3.17Å; S217-T221 PolarHBondContact O-OG1 3.11Å; N218-T221 VanDerWaalsContact CA-OG1 3.31Å; N218-T221 WeakPolarHBondContact CA-OG1 3.29Å; N218-T221 PolarHBondContact O-OG1 3.09Å; T221-Y225 VanDerWaalsContact O-CB 3.23Å; T221-Y225 WeakPolarHBondContact O-CB 3.24Å; T221-Y225 PolarHBondContact O-N 3.17Å |
| 222 | N | 53.2 | Low | 61.4 | Low | 101 Ų | 101 | 110.7 Ų | 110.7 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 173.4 | -82.4 | -20.7 | 0 | 0 | 0 | 112.8 | N218 R219 R220 Y225 S226 | N218-N222 WeakPolarHBondContact O-CB 3.32Å; N218-N222 PolarHBondContact O-N 3.14Å; R219-N222 PolarHBondContact O-N 3.44Å; R220-N222 VanDerWaalsContact C-N 3.33Å; N222-Y225 PolarHBondContact O-N 2.94Å; N222-S226 WeakPolarHBondContact O-CB 3.47Å; N222-S226 PolarHBondContact O-N 2.96Å |
| 223 | E | 58.4 | Low | 62.9 | Low | 112 Ų | 112 | 111 Ų | 111 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 173.6 | -75.4 | -179.8 | -174.9 | 0 | 0 | 111.2 | R219 R220 Y225 S226 L227 | R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 WeakPolarHBondContact O-CG 3.48Å; R219-E223 PolarHBondContact O-N 3.28Å; R220-E223 PolarHBondContact O-N 2.91Å; E223-Y225 PolarHBondContact O-N 3.04Å; E223-S226 PolarHBondContact O-N 3.25Å; E223-L227 VanDerWaalsContact O-CB 3.28Å; E223-L227 WeakPolarHBondContact O-CB 3.42Å; E223-L227 VanDerWaalsContact O-CG 3.23Å; E223-L227 WeakPolarHBondContact O-CG 3.31Å; E223-L227 PolarHBondContact O-N 3.04Å |
| 224 | N | 64.3 | Low | 64.6 | Low | 98 Ų | 98 | 108.6 Ų | 108.6 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 174.2 | -78.9 | -53.7 | 0 | 0 | 0 | 111.8 | R220 Q228 | R220-N224 WeakPolarHBondContact O-CB 3.39Å; R220-N224 VanDerWaalsContact O-CG 3.22Å; R220-N224 PolarHBondContact O-N 3.42Å; R220-N224 PolarHBondContact O-ND2 2.84Å; N224-Q228 WeakPolarHBondContact O-CB 3.34Å; N224-Q228 PolarHBondContact O-N 3.04Å |
| 225 | Y | 59.7 | Low | 66.3 | Low | 158 Ų | 158 | 106.1 Ų | 106.1 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 175.5 | -174.4 | -101.1 | 0 | 0 | 0 | 111.6 | T221 N222 E223 Q228 K229 | T221-Y225 VanDerWaalsContact O-CB 3.23Å; T221-Y225 WeakPolarHBondContact O-CB 3.24Å; T221-Y225 PolarHBondContact O-N 3.17Å; N222-Y225 PolarHBondContact O-N 2.94Å; E223-Y225 PolarHBondContact O-N 3.04Å; Y225-Q228 PolarHBondContact O-N 3.41Å; Y225-K229 VanDerWaalsContact O-CB 3.32Å; Y225-K229 WeakPolarHBondContact O-CB 3.31Å; Y225-K229 PolarHBondContact O-N 3.5Å |
| 226 | S | 68.5 | Low | 67.8 | Low | 81 Ų | 81 | 106.5 Ų | 106.5 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -46 | 175.2 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | N222 E223 K229 G230 | N222-S226 WeakPolarHBondContact O-CB 3.47Å; N222-S226 PolarHBondContact O-N 2.96Å; E223-S226 PolarHBondContact O-N 3.25Å; S226-K229 PolarHBondContact O-N 3.12Å; S226-G230 PolarHBondContact O-N 3.17Å |
| 227 | L | 71 | Confident | 69.4 | Low | 92 Ų | 92 | 108.5 Ų | 108.5 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 173.6 | -75.5 | 168.3 | 0 | 0 | 0 | 110.7 | E223 K229 G230 Y231 | E223-L227 VanDerWaalsContact O-CB 3.28Å; E223-L227 WeakPolarHBondContact O-CB 3.42Å; E223-L227 VanDerWaalsContact O-CG 3.23Å; E223-L227 WeakPolarHBondContact O-CG 3.31Å; E223-L227 PolarHBondContact O-N 3.04Å; L227-K229 VanDerWaalsContact C-N 3.3Å; L227-K229 PolarHBondContact O-N 3.32Å; L227-G230 CarbonylContact O-C 3.58Å; L227-G230 WeakPolarHBondContact O-CA 3.12Å; L227-G230 PolarHBondContact O-N 3.3Å; L227-G230 VanDerWaalsContact O-N 3.11Å; L227-Y231 HydrophobicContact CB-CD2 4.31Å; L227-Y231 HydrophobicContact CB-CE2 4.09Å; L227-Y231 HydrophobicContact CD2-CE2 4.44Å; L227-Y231 WeakPolarHBondContact O-CD2 3.5Å; L227-Y231 PolarHBondContact O-N 3.48Å |
| 228 | Q | 72.7 | Confident | 71.1 | Confident | 136 Ų | 136 | 111.2 Ų | 111.2 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.2 | -38.6 | 177.8 | -168.6 | 179 | 10.6 | 0 | 0 | 111.7 | N224 Y225 K232 | N224-Q228 WeakPolarHBondContact O-CB 3.34Å; N224-Q228 PolarHBondContact O-N 3.04Å; Y225-Q228 PolarHBondContact O-N 3.41Å; Q228-K232 WeakPolarHBondContact O-CB 3.35Å; Q228-K232 PolarHBondContact O-N 3.04Å |
| 229 | K | 76.2 | Confident | 72.8 | Confident | 136 Ų | 136 | 112.8 Ų | 112.8 | 59% | 0.591 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 173.1 | -171.4 | 177.1 | -179.6 | -177.9 | 0 | 111.7 | Y225 S226 L227 K232 M233 | Y225-K229 VanDerWaalsContact O-CB 3.32Å; Y225-K229 WeakPolarHBondContact O-CB 3.31Å; Y225-K229 PolarHBondContact O-N 3.5Å; S226-K229 PolarHBondContact O-N 3.12Å; L227-K229 VanDerWaalsContact C-N 3.3Å; L227-K229 PolarHBondContact O-N 3.32Å; K229-K232 PolarHBondContact O-N 3.37Å; K229-M233 PolarHBondContact O-N 2.88Å |
| 230 | G | 79.7 | Confident | 74.2 | Confident | 29 Ų | 29 | 111.3 Ų | 111.3 | 30% | 0.299 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S226 L227 K232 M233 I234 | S226-G230 PolarHBondContact O-N 3.17Å; L227-G230 CarbonylContact O-C 3.58Å; L227-G230 WeakPolarHBondContact O-CA 3.12Å; L227-G230 PolarHBondContact O-N 3.3Å; L227-G230 VanDerWaalsContact O-N 3.11Å; G230-K232 VanDerWaalsContact C-N 3.32Å; G230-K232 PolarHBondContact O-N 3.44Å; G230-M233 PolarHBondContact O-N 3.06Å; G230-I234 WeakPolarHBondContact O-CG1 3.41Å; G230-I234 PolarHBondContact O-N 3.28Å |
| 231 | Y | 85.5 | Confident | 75.7 | Confident | 161 Ų | 161 | 109.4 Ų | 109.4 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | 176 | -74.3 | -62.1 | 0 | 0 | 0 | 112.1 | L227 S235 | L227-Y231 HydrophobicContact CB-CD2 4.31Å; L227-Y231 HydrophobicContact CB-CE2 4.09Å; L227-Y231 HydrophobicContact CD2-CE2 4.44Å; L227-Y231 WeakPolarHBondContact O-CD2 3.5Å; L227-Y231 PolarHBondContact O-N 3.48Å; Y231-S235 VanDerWaalsContact O-CB 3.31Å; Y231-S235 WeakPolarHBondContact O-CB 3.28Å; Y231-S235 PolarHBondContact O-N 2.82Å |
| 232 | K | 81.7 | Confident | 77 | Confident | 136 Ų | 136 | 116.2 Ų | 116.2 | 59% | 0.591 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.9 | -46.1 | 175.1 | -171.3 | 179 | 178.3 | -173.9 | 0 | 111.7 | Q228 K229 G230 I234 S235 E236 | Q228-K232 WeakPolarHBondContact O-CB 3.35Å; Q228-K232 PolarHBondContact O-N 3.04Å; K229-K232 PolarHBondContact O-N 3.37Å; G230-K232 VanDerWaalsContact C-N 3.32Å; G230-K232 PolarHBondContact O-N 3.44Å; K232-I234 PolarHBondContact O-N 3.27Å; K232-S235 PolarHBondContact O-N 2.99Å; K232-E236 WeakPolarHBondContact CE-OE1 3.34Å; K232-E236 WeakPolarHBondContact O-CG 3.01Å; K232-E236 PolarHBondContact O-N 2.76Å |
| 233 | M | 84.5 | Confident | 78.7 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.8 | -44.6 | 178 | -174 | -169.8 | -65.3 | 0 | 0 | 112.1 | K229 G230 S235 E236 L237 | K229-M233 PolarHBondContact O-N 2.88Å; G230-M233 PolarHBondContact O-N 3.06Å; M233-S235 VanDerWaalsContact C-N 3.35Å; M233-E236 PolarHBondContact O-N 3.2Å; M233-L237 WeakPolarHBondContact O-CB 3.46Å; M233-L237 PolarHBondContact O-N 3.12Å |
| 234 | I | 85.1 | Confident | 79.4 | Confident | 99 Ų | 99 | 117.8 Ų | 117.8 | 51% | 0.508 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -42.6 | 177.3 | -66.4 | 167.2 | 0 | 0 | 0 | 110.4 | G230 K232 E236 L237 L238 | G230-I234 WeakPolarHBondContact O-CG1 3.41Å; G230-I234 PolarHBondContact O-N 3.28Å; K232-I234 PolarHBondContact O-N 3.27Å; I234-E236 PolarHBondContact O-N 2.97Å; I234-L237 PolarHBondContact O-N 2.99Å; I234-L238 HydrophobicContact CG2-CD1 3.93Å; I234-L238 HydrophobicContact CG2-CG 4.34Å; I234-L238 WeakPolarHBondContact O-CB 3.34Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 2.8Å |
| 235 | S | 83.6 | Confident | 80.1 | Confident | 68 Ų | 68 | 118.8 Ų | 118.8 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.8 | -42.8 | 176.4 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | Y231 K232 M233 Q239 | Y231-S235 VanDerWaalsContact O-CB 3.31Å; Y231-S235 WeakPolarHBondContact O-CB 3.28Å; Y231-S235 PolarHBondContact O-N 2.82Å; K232-S235 PolarHBondContact O-N 2.99Å; M233-S235 VanDerWaalsContact C-N 3.35Å; S235-Q239 WeakPolarHBondContact O-CB 3.45Å; S235-Q239 PolarHBondContact O-N 3.29Å |
| 236 | E | 85.1 | Confident | 81.2 | Confident | 104 Ų | 104 | 116.7 Ų | 116.7 | 49% | 0.486 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -42.8 | 176.5 | -74 | 170.1 | -178.3 | 0 | 0 | 111.6 | K232 M233 I234 Q239 H240 | K232-E236 WeakPolarHBondContact CE-OE1 3.34Å; K232-E236 WeakPolarHBondContact O-CG 3.01Å; K232-E236 PolarHBondContact O-N 2.76Å; M233-E236 PolarHBondContact O-N 3.2Å; I234-E236 PolarHBondContact O-N 2.97Å; E236-Q239 PolarHBondContact O-N 2.84Å; E236-H240 PolarHBondContact O-N 3.31Å |
| 237 | L | 85.4 | Confident | 81.9 | Confident | 110 Ų | 110 | 118.7 Ų | 118.7 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -44 | 177.7 | -157.9 | 104.6 | 0 | 0 | 0 | 111.6 | M233 I234 Q239 H240 I241 | M233-L237 WeakPolarHBondContact O-CB 3.46Å; M233-L237 PolarHBondContact O-N 3.12Å; I234-L237 PolarHBondContact O-N 2.99Å; L237-Q239 VanDerWaalsContact C-N 3.32Å; L237-Q239 PolarHBondContact O-N 2.93Å; L237-H240 PolarHBondContact O-N 3.1Å; L237-I241 HydrophobicContact CD2-CD1 4.11Å; L237-I241 HydrophobicContact CG-CD1 4.49Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.01Å |
| 238 | L | 87.8 | Confident | 82.5 | Confident | 109 Ų | 109 | 120.2 Ų | 120.2 | 57% | 0.571 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -36.5 | 176.2 | -71.6 | 173.3 | 0 | 0 | 0 | 112 | I234 R242 | I234-L238 HydrophobicContact CG2-CD1 3.93Å; I234-L238 HydrophobicContact CG2-CG 4.34Å; I234-L238 WeakPolarHBondContact O-CB 3.34Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.47Å; I234-L238 PolarHBondContact O-N 2.8Å; L238-R242 WeakPolarHBondContact O-CB 3.46Å; L238-R242 PolarHBondContact O-N 3.16Å; L238-R242 VanDerWaalsContact O-N 3.12Å |
| 239 | Q | 83.6 | Confident | 83.2 | Confident | 129 Ų | 129 | 119.3 Ų | 119.3 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.2 | -40 | 175.5 | -166.7 | 166.6 | 3.5 | 0 | 0 | 111.2 | S235 E236 L237 R242 T243 | S235-Q239 WeakPolarHBondContact O-CB 3.45Å; S235-Q239 PolarHBondContact O-N 3.29Å; E236-Q239 PolarHBondContact O-N 2.84Å; L237-Q239 VanDerWaalsContact C-N 3.32Å; L237-Q239 PolarHBondContact O-N 2.93Å; Q239-R242 PolarHBondContact O-N 3.18Å; Q239-T243 WeakPolarHBondContact O-CG2 3.45Å; Q239-T243 PolarHBondContact O-N 3.27Å; Q239-T243 VanDerWaalsContact O-N 3.13Å; Q239-T243 PolarHBondContact O-OG1 3.17Å |
| 240 | H | 83.1 | Confident | 83.6 | Confident | 129 Ų | 129 | 118.1 Ų | 118.1 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -41.2 | 176.5 | -164 | 68.6 | 0 | 0 | 0 | 112.9 | E236 L237 R242 T243 S244 | E236-H240 PolarHBondContact O-N 3.31Å; L237-H240 PolarHBondContact O-N 3.1Å; H240-R242 VanDerWaalsContact C-N 3.27Å; H240-R242 PolarHBondContact O-N 2.88Å; H240-T243 PolarHBondContact O-N 2.92Å; H240-T243 PolarHBondContact O-OG1 3.12Å; H240-S244 PolarHBondContact O-N 3.07Å; H240-S244 PolarHBondContact O-OG 3.37Å |
| 241 | I | 85.4 | Confident | 83.9 | Confident | 108 Ų | 108 | 124.5 Ų | 124.5 | 55% | 0.554 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.4 | -35.4 | 174.8 | -67.5 | 164.9 | 0 | 0 | 0 | 110.9 | L237 | L237-I241 HydrophobicContact CD2-CD1 4.11Å; L237-I241 HydrophobicContact CG-CD1 4.49Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.42Å; L237-I241 PolarHBondContact O-N 3.01Å |
| 242 | R | 83.1 | Confident | 83.8 | Confident | 224 Ų | 224 | 121.7 Ų | 121.7 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75 | -26.7 | -179.9 | -169.6 | 174.6 | -176.1 | 173.6 | 2.2 | 113.5 | L238 Q239 H240 | L238-R242 WeakPolarHBondContact O-CB 3.46Å; L238-R242 PolarHBondContact O-N 3.16Å; L238-R242 VanDerWaalsContact O-N 3.12Å; Q239-R242 PolarHBondContact O-N 3.18Å; H240-R242 VanDerWaalsContact C-N 3.27Å; H240-R242 PolarHBondContact O-N 2.88Å |
| 243 | T | 87.9 | Confident | 84 | Confident | 110 Ų | 110 | 120.5 Ų | 120.5 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -95.8 | -5.7 | -179 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | Q239 H240 | Q239-T243 WeakPolarHBondContact O-CG2 3.45Å; Q239-T243 PolarHBondContact O-N 3.27Å; Q239-T243 VanDerWaalsContact O-N 3.13Å; Q239-T243 PolarHBondContact O-OG1 3.17Å; H240-T243 PolarHBondContact O-N 2.92Å; H240-T243 PolarHBondContact O-OG1 3.12Å |
| 244 | S | 72.9 | Confident | 83.9 | Confident | 136 Ų | 136 | 120.5 Ų | 120.5 | 95% | 0.951 | 62% | 0.622 | S | S | * | * | trans | -95.2 | 0 | 175.8 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | H240 | H240-S244 PolarHBondContact O-N 3.07Å; H240-S244 PolarHBondContact O-OG 3.37Å |
Retrieved 244 of 244 residues in 60.3 ms
(Link to these results)