| 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 | 38.5 | Very low | 32.9 | Very low | 223 Ų | 223 | 134.2 Ų | 134.2 | 100% | 1.099 | 83% | 0.828 | S | S | * | * | 0 | 76.4 | 0 | -66 | -169.9 | 172.8 | 0 | 0 | 105.6 | |||||
| 2 | D | 36.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | 82.7 | 126.9 | 97.7 | -62.4 | -41.2 | 0 | 0 | 0 | 107.8 | |||||
| 3 | E | 31.7 | Very low | 32.4 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | cis | -159.4 | 140 | -3 | -99.4 | 174.9 | 102.6 | 0 | 0 | 102.2 | ||||
| 4 | Q | 30.8 | Very low | 32.2 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | 44.5 | 115.4 | 98.5 | -119.5 | 104.6 | 32.3 | 0 | 0 | 112.3 | |||||
| 5 | T | 32.7 | Very low | 31.9 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | -179.6 | 150.3 | 50.6 | 37.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 6 | G | 31.1 | Very low | 31.9 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 130.9 | 77.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 7 | S | 29.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -83.2 | -166.5 | 155.2 | -39.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 8 | P | 43.4 | Very low | 32 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | cis | -138.6 | -168.6 | -18.7 | 28.1 | -3.7 | 0 | 0 | 0 | 113 | ||||
| 9 | A | 29.9 | Very low | 32 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | 115.5 | 129 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 10 | G | 29.3 | Very low | 32.1 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | cis | 166.7 | 133.4 | 9.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 11 | N | 27.6 | Very low | 32.4 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -78.6 | 167.6 | -169.9 | -153.3 | 13 | 0 | 0 | 0 | 112.3 | ||||
| 12 | T | 29.8 | Very low | 32.4 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 64% | 0.644 | 79% | 0.79 | S | S | * | * | trans | 82.1 | 115.5 | 153.4 | 46.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 13 | D | 29.9 | Very low | 32.8 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | 93.7 | 99.4 | 124.4 | -76.3 | -11.5 | 0 | 0 | 0 | 122.7 | |||||
| 14 | N | 29.2 | Very low | 33.1 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | 100.4 | 121.2 | 107.6 | -146.6 | 9.1 | 0 | 0 | 0 | 119.2 | |||||
| 15 | N | 27.9 | Very low | 33.7 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | 112.4 | 132.3 | 137.4 | -156.7 | 24.3 | 0 | 0 | 0 | 118.9 | ||||
| 16 | S | 31.5 | Very low | 34.1 | Very low | 84 Ų | 84 | 145.4 Ų | 145.4 | 59% | 0.587 | 81% | 0.806 | S | S | * | * | trans | 77.9 | 90.5 | 167.4 | -62 | 0 | 0 | 0 | 0 | 118 | ||||
| 17 | Q | 31.7 | Very low | 34.3 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | -169.6 | 125.4 | 96.7 | -135.2 | 105.3 | -69.3 | 0 | 0 | 110.2 | |||||
| 18 | R | 34.4 | Very low | 34.9 | Very low | 229 Ų | 229 | 144.5 Ų | 144.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -55.4 | 138.7 | 163.3 | -73.6 | 170.5 | 161.4 | -163.7 | -4.8 | 109.7 | ||||
| 19 | N | 32.1 | Very low | 34.6 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | -177.6 | 121.4 | 120.5 | -86.5 | -28.1 | 0 | 0 | 0 | 110.1 | |||||
| 20 | G | 33.6 | Very low | 35.3 | Very low | 73 Ų | 73 | 150.1 Ų | 150.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -82.8 | 130.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | E22 | G20-E22 VanDerWaalsContact C-N 3.33Å; G20-E22 PolarHBondContact O-N 3.24Å | ||
| 21 | D | 38.2 | Very low | 36.2 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 84.6 | 170.9 | -72.8 | -49.1 | 0 | 0 | 0 | 110.3 | K23 | D21-K23 PolarHBondContact O-N 3.14Š| ||
| 22 | E | 39.5 | Very low | 36.9 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -68.3 | 114.3 | 157.4 | -77.7 | -168.7 | 151.9 | 0 | 0 | 109.1 | G20 | G20-E22 VanDerWaalsContact C-N 3.33Å; G20-E22 PolarHBondContact O-N 3.24Å | ||
| 23 | K | 45.6 | Very low | 37.9 | Very low | 195 Ų | 195 | 158.6 Ų | 158.6 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 130.7 | 170.6 | -70 | 178.6 | 177.7 | 178.1 | 0 | 110.2 | D21 R25 | D21-K23 PolarHBondContact O-N 3.14Å; K23-R25 PolarHBondContact O-N 3.41Å; K23-R25 VanDerWaalsContact O-N 3.15Å |
| 24 | P | 37.2 | Very low | 39 | Very low | 124 Ų | 124 | 161.3 Ų | 161.3 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 121.5 | -172.9 | 23.8 | -27.9 | 0 | 0 | 0 | 109.9 | R26 | P24-R26 PolarHBondContact O-N 2.68Å; P24-R26 VanDerWaalsContact O-N 3.16Å |
| 25 | R | 43.6 | Very low | 40.2 | Very low | 232 Ų | 232 | 164.5 Ų | 164.5 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 118.8 | 171.6 | -68.1 | -177.2 | 176.9 | -171.4 | -0.3 | 108.4 | K23 G27 | K23-R25 PolarHBondContact O-N 3.41Å; K23-R25 VanDerWaalsContact O-N 3.15Å; R25-G27 PolarHBondContact O-N 3.35Å; R25-G27 VanDerWaalsContact O-N 3.1Å |
| 26 | R | 41 | Very low | 41.2 | Very low | 244 Ų | 244 | 167.5 Ų | 167.5 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 120.6 | 173.7 | -70.8 | -173.4 | -167.4 | -149.4 | 2.6 | 108.6 | P24 | P24-R26 PolarHBondContact O-N 2.68Å; P24-R26 VanDerWaalsContact O-N 3.16Å |
| 27 | G | 35.5 | Very low | 42.2 | Very low | 63 Ų | 63 | 172.8 Ų | 172.8 | 65% | 0.649 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 137.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R25 W29 | R25-G27 PolarHBondContact O-N 3.35Å; R25-G27 VanDerWaalsContact O-N 3.1Å; G27-W29 PolarHBondContact O-N 3.43Å |
| 28 | S | 41.7 | Very low | 43.3 | Very low | 114 Ų | 114 | 169.6 Ų | 169.6 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -42.3 | 106.4 | 172.7 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | T30 | S28-T30 PolarHBondContact O-N 3.42Š| ||
| 29 | W | 37.3 | Very low | 44.3 | Very low | 223 Ų | 223 | 164.1 Ų | 164.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -55.8 | 110.6 | 167.7 | -96.3 | 76.9 | 0 | 0 | 0 | 109 | G27 K31 | G27-W29 PolarHBondContact O-N 3.43Å; W29-K31 PolarHBondContact O-N 3.37Å; W29-K31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | T | 44.9 | Very low | 45.6 | Very low | 123 Ų | 123 | 165.2 Ų | 165.2 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -62 | 118.4 | 163.2 | 52.2 | 0 | 0 | 0 | 0 | 106.4 | S28 G32 | S28-T30 PolarHBondContact O-N 3.42Å; T30-G32 VanDerWaalsContact C-N 3.3Å; T30-G32 PolarHBondContact O-N 3.12Å | ||
| 31 | K | 49.3 | Very low | 47.1 | Very low | 209 Ų | 209 | 163 Ų | 163 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -55.1 | 96 | 178.6 | -83.8 | 178 | 179.8 | 168.1 | 0 | 108.7 | W29 R33 | W29-K31 PolarHBondContact O-N 3.37Å; W29-K31 VanDerWaalsContact O-N 3.12Å; K31-R33 PolarHBondContact O-N 3.03Å; K31-R33 VanDerWaalsContact O-N 3.1Å | ||
| 32 | G | 40.9 | Very low | 48.7 | Very low | 62 Ų | 62 | 160.5 Ų | 160.5 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -50.5 | 119.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T30 K34 | T30-G32 VanDerWaalsContact C-N 3.3Å; T30-G32 PolarHBondContact O-N 3.12Å; G32-K34 PolarHBondContact O-N 3.32Å | ||
| 33 | R | 52 | Low | 50.1 | Low | 239 Ų | 239 | 157.4 Ų | 157.4 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -45.7 | 114.2 | -177.5 | -153.1 | 176.5 | -174.4 | -142.7 | 5 | 108.7 | K31 R35 | K31-R33 PolarHBondContact O-N 3.03Å; K31-R33 VanDerWaalsContact O-N 3.1Å; R33-R35 PolarHBondContact O-N 3.21Å | ||
| 34 | K | 51.3 | Low | 51.5 | Low | 203 Ų | 203 | 150 Ų | 150 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -45.3 | 109.7 | 179.9 | -80.6 | -177.5 | 177.1 | 176.5 | 0 | 108.6 | G32 K36 | G32-K34 PolarHBondContact O-N 3.32Å; K34-K36 PolarHBondContact O-N 2.68Å | ||
| 35 | R | 54.4 | Low | 53.6 | Low | 214 Ų | 214 | 145.2 Ų | 145.2 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | trans | -53.9 | 119.7 | 174.2 | -78.1 | -179.4 | 164.2 | 163.5 | -1.3 | 106.7 | R33 K37 | R33-R35 PolarHBondContact O-N 3.21Å; R35-K37 PolarHBondContact O-N 3.23Å | ||
| 36 | K | 48.7 | Very low | 55.3 | Low | 203 Ų | 203 | 143 Ų | 143 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -57.7 | 115.8 | 176.8 | -70.5 | -167.4 | 176.9 | -172.7 | 0 | 106.9 | K34 | K34-K36 PolarHBondContact O-N 2.68Š| ||
| 37 | K | 53.8 | Low | 57.3 | Low | 195 Ų | 195 | 134.4 Ų | 134.4 | 85% | 0.848 | 68% | 0.684 | S | S | * | * | trans | -51.7 | 133.6 | 175.2 | -78.5 | 174.2 | 177 | 177.4 | 0 | 107.6 | R35 M39 | R35-K37 PolarHBondContact O-N 3.23Å; K37-M39 PolarHBondContact O-N 3.47Å | ||
| 38 | P | 54.4 | Low | 59.7 | Low | 117 Ų | 117 | 133.3 Ų | 133.3 | 76% | 0.76 | 67% | 0.666 | S | S | * | * | trans | -53.1 | 142.5 | 174.6 | 23 | -31.5 | 0 | 0 | 0 | 108.4 | K40 | P38-K40 VanDerWaalsContact C-N 3.34Å; P38-K40 PolarHBondContact O-N 2.96Å | ||
| 39 | M | 56.3 | Low | 61.9 | Low | 113 Ų | 113 | 131.4 Ų | 131.4 | 56% | 0.557 | 65% | 0.646 | S | S | * | * | trans | -61.6 | 100.3 | -177 | -151.5 | 176.2 | 116.4 | 0 | 0 | 107 | K37 K124 | K37-M39 PolarHBondContact O-N 3.47Å; M39-K124 HydrophobicContact CE-CD 4.19Å | ||
| 40 | K | 59.3 | Low | 64.4 | Low | 181 Ų | 181 | 124.7 Ų | 124.7 | 79% | 0.787 | 63% | 0.63 | S | S | * | * | trans | -80.2 | 123.7 | 178.6 | -166.3 | 143.7 | -175.5 | 176.4 | 0 | 106.1 | P38 S42 | P38-K40 VanDerWaalsContact C-N 3.34Å; P38-K40 PolarHBondContact O-N 2.96Å; K40-S42 PolarHBondContact O-N 2.89Å | ||
| 41 | D | 64.7 | Low | 66.5 | Low | 25 Ų | 25 | 119 Ų | 119 | 13% | 0.134 | 60% | 0.595 | C | S | . | * | trans | -62.7 | 119.5 | 175.6 | -164.3 | -25.6 | 0 | 0 | 0 | 108.8 | N43 A44 Y112 F121 | D41-N43 PolarHBondContact O-N 3.26Å; D41-N43 PolarHBondContact OD1-N 2.99Å; D41-A44 HydrophobicContact CB-CB 3.86Å; D41-A44 PolarHBondContact O-N 3.42Å; D41-Y112 PolarHBondContact OD1-OH 3.45Å; D41-Y112 PolarHBondContact OD2-OH 2.88Å; D41-F121 HydrophobicContact CB-CD1 4.39Å; D41-F121 HydrophobicContact CB-CD2 3.8Å; D41-F121 HydrophobicContact CB-CE1 4.28Å; D41-F121 HydrophobicContact CB-CE2 3.67Å; D41-F121 HydrophobicContact CB-CG 4.17Å; D41-F121 HydrophobicContact CB-CZ 3.92Å; D41-F121 VanDerWaalsContact OD2-CB 3.25Å; D41-F121 WeakPolarHBondContact OD2-CB 3.33Å; D41-F121 WeakPolarHBondContact OD2-CD2 3.43Å; D41-F121 WeakPolarHBondContact OD2-CG 3.26Å | ||
| 42 | S | 71.1 | Confident | 68.3 | Low | 118 Ų | 118 | 112.8 Ų | 112.8 | 83% | 0.825 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -19.6 | -179.9 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | K40 | K40-S42 PolarHBondContact O-N 2.89Š|
| 43 | N | 69.8 | Low | 70.6 | Confident | 109 Ų | 109 | 112.5 Ų | 112.5 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -6.8 | -179.1 | -62.1 | -28.4 | 0 | 0 | 0 | 112.6 | D41 Y112 | D41-N43 PolarHBondContact O-N 3.26Å; D41-N43 PolarHBondContact OD1-N 2.99Å; N43-Y112 HydrophobicContact CB-CE2 3.78Å; N43-Y112 WeakPolarHBondContact O-CD2 3.4Å; N43-Y112 WeakPolarHBondContact O-CE2 3.39Å |
| 44 | A | 74.6 | Confident | 72.4 | Confident | 38 Ų | 38 | 102.7 Ų | 102.7 | 31% | 0.314 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -72.3 | 139.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D41 Y112 | D41-A44 HydrophobicContact CB-CB 3.86Å; D41-A44 PolarHBondContact O-N 3.42Å; A44-Y112 HydrophobicContact CB-CD1 4.3Å; A44-Y112 HydrophobicContact CB-CE1 3.85Å |
| 45 | P | 80.3 | Confident | 74.3 | Confident | 24 Ų | 24 | 93.1 Ų | 93.1 | 16% | 0.156 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 143.5 | 171.4 | -26.4 | 34.9 | 0 | 0 | 0 | 111.3 | Y105 E108 Y112 | P45-Y105 HydrophobicContact CB-CD2 3.77Å; P45-Y105 HydrophobicContact CB-CE2 3.81Å; P45-Y105 WeakPolarHBondContact O-CE2 3.44Å; P45-E108 HydrophobicContact CB-CB 3.95Å; P45-E108 HydrophobicContact CG-CB 3.75Å; P45-Y112 HydrophobicContact CG-CG 4.41Å |
| 46 | K | 80.6 | Confident | 76 | Confident | 186 Ų | 186 | 83.8 Ų | 83.8 | 81% | 0.809 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 132 | 178.1 | -71 | 177.5 | -176.4 | 171.1 | 0 | 109.2 | Y105 | K46-Y105 WeakPolarHBondContact O-CD2 3.1Š|
| 47 | A | 81.8 | Confident | 77.9 | Confident | 63 Ų | 63 | 76.4 Ų | 76.4 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 140.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 48 | P | 86.1 | Confident | 79.5 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 143 | -176.6 | 30.2 | -34 | 0 | 0 | 0 | 109.8 | D101 K102 Y105 | P48-D101 WeakPolarHBondContact CA-OD1 3.33Å; P48-D101 HydrophobicContact CB-CB 4.44Å; P48-D101 WeakPolarHBondContact CB-OD1 3.48Å; P48-K102 HydrophobicContact CB-CB 4.29Å; P48-K102 HydrophobicContact CG-CB 4.28Å; P48-Y105 HydrophobicContact CG-CD1 4.06Å; P48-Y105 HydrophobicContact CG-CG 4.13Å |
| 49 | L | 88 | Confident | 81.1 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 38% | 0.382 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 135.1 | 174.6 | -65.2 | 142.3 | 0 | 0 | 0 | 109.5 | V53 R54 A98 | L49-V53 HydrophobicContact CD2-CB 4.33Å; L49-V53 HydrophobicContact CD2-CG1 3.49Å; L49-V53 VanDerWaalsContact CD2-CG1 3.49Å; L49-R54 HydrophobicContact CB-CG 3.83Å; L49-R54 PolarHBondContact O-NE 3.09Å; L49-R54 PolarHBondContact O-NH2 3.21Å; L49-A98 WeakPolarHBondContact O-CB 3.4Å |
| 50 | T | 90.8 | Very high | 82.6 | Confident | 83 Ų | 83 | 67.1 Ų | 67.1 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 157.5 | 172.1 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | Y52 V53 R54 | T50-Y52 PolarHBondContact O-N 2.91Å; T50-V53 PolarHBondContact O-N 3.33Å; T50-V53 VanDerWaalsContact OG1-CG2 3.31Å; T50-V53 WeakPolarHBondContact OG1-CG2 3.28Å; T50-V53 PolarHBondContact OG1-N 3.04Å; T50-R54 WeakPolarHBondContact O-CG 3.25Å; T50-R54 PolarHBondContact O-N 3.31Å |
| 51 | G | 88.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.4 | -39.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R54 F55 Y94 | G51-R54 WeakPolarHBondContact O-CB 3.38Å; G51-R54 PolarHBondContact O-N 3.4Å; G51-F55 PolarHBondContact O-N 3.27Å; G51-F55 VanDerWaalsContact O-N 3.07Å; G51-Y94 VanDerWaalsContact CA-O 3.25Å; G51-Y94 WeakPolarHBondContact CA-O 3.47Å |
| 52 | Y | 87.5 | Confident | 84.8 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 31% | 0.306 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 173.6 | 176.8 | -120.1 | 0 | 0 | 0 | 112.8 | T50 R54 F55 M56 W83 | T50-Y52 PolarHBondContact O-N 2.91Å; Y52-R54 VanDerWaalsContact C-N 3.3Å; Y52-R54 PolarHBondContact O-N 3.06Å; Y52-F55 PolarHBondContact O-N 3.42Å; Y52-M56 HydrophobicContact CD1-CG 4.37Å; Y52-M56 HydrophobicContact CD2-CG 3.98Å; Y52-M56 HydrophobicContact CE1-CG 4.05Å; Y52-M56 HydrophobicContact CE2-CG 3.64Å; Y52-M56 HydrophobicContact CE2-SD 3.76Å; Y52-M56 HydrophobicContact CG-CG 4.36Å; Y52-M56 WeakPolarHBondContact O-CB 3.37Å; Y52-M56 WeakPolarHBondContact O-CG 3.48Å; Y52-M56 PolarHBondContact O-N 2.71Å; Y52-W83 HydrophobicContact CD2-CB 3.99Å; Y52-W83 AromaticContact CD2-CD1 3.3Å; Y52-W83 AromaticContact CD2-CD2 3.64Å; Y52-W83 HydrophobicContact CD2-CD2 3.64Å; Y52-W83 AromaticContact CD2-CE2 3.68Å; Y52-W83 HydrophobicContact CD2-CE3 4.46Å; Y52-W83 AromaticContact CD2-CG 3.37Å; Y52-W83 HydrophobicContact CD2-CG 3.37Å; Y52-W83 HydrophobicContact CD2-CZ2 4.49Å; Y52-W83 AromaticContact CD2-NE1 3.46Å; Y52-W83 HydrophobicContact CE2-CB 3.75Å; Y52-W83 AromaticContact CE2-CD1 3.57Å; Y52-W83 HydrophobicContact CE2-CD2 4.33Å; Y52-W83 AromaticContact CE2-CG 3.61Å; Y52-W83 HydrophobicContact CE2-CG 3.61Å |
| 53 | V | 88.9 | Confident | 85.5 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 34% | 0.339 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.1 | -30.9 | -178.2 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | L49 T50 N57 | L49-V53 HydrophobicContact CD2-CB 4.33Å; L49-V53 HydrophobicContact CD2-CG1 3.49Å; L49-V53 VanDerWaalsContact CD2-CG1 3.49Å; T50-V53 PolarHBondContact O-N 3.33Å; T50-V53 VanDerWaalsContact OG1-CG2 3.31Å; T50-V53 WeakPolarHBondContact OG1-CG2 3.28Å; T50-V53 PolarHBondContact OG1-N 3.04Å; V53-N57 WeakPolarHBondContact O-CB 3.2Å; V53-N57 VanDerWaalsContact O-CG 3.26Å; V53-N57 PolarHBondContact O-N 3.2Å; V53-N57 PolarHBondContact O-ND2 3.36Å |
| 54 | R | 88.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -57.3 | 171 | -71 | 177.7 | -177.3 | -79.6 | -25.8 | 111.2 | L49 T50 G51 Y52 M56 N57 D58 Y94 D101 | L49-R54 HydrophobicContact CB-CG 3.83Å; L49-R54 PolarHBondContact O-NE 3.09Å; L49-R54 PolarHBondContact O-NH2 3.21Å; T50-R54 WeakPolarHBondContact O-CG 3.25Å; T50-R54 PolarHBondContact O-N 3.31Å; G51-R54 WeakPolarHBondContact O-CB 3.38Å; G51-R54 PolarHBondContact O-N 3.4Å; Y52-R54 VanDerWaalsContact C-N 3.3Å; Y52-R54 PolarHBondContact O-N 3.06Å; R54-M56 VanDerWaalsContact C-N 3.27Å; R54-M56 PolarHBondContact O-N 2.92Å; R54-N57 PolarHBondContact O-N 2.84Å; R54-D58 PolarHBondContact O-N 3.37Å; R54-Y94 HydrophobicContact CB-CD1 4.27Å; R54-D101 IonicContact CZ-OD2 3.06Å; R54-D101 IonicContact NH1-OD2 3.68Å; R54-D101 IonicContact NH2-OD1 3.72Å; R54-D101 IonicContact NH2-OD2 2.91Å; R54-D101 PolarHBondContact NH2-OD2 2.98Å |
| 55 | F | 91 | Very high | 86.8 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.1 | -47.8 | 176.9 | 169.3 | -95.3 | 0 | 0 | 0 | 111.9 | G51 Y52 N57 D58 R59 E82 W83 L86 Y94 | G51-F55 PolarHBondContact O-N 3.27Å; G51-F55 VanDerWaalsContact O-N 3.07Å; Y52-F55 PolarHBondContact O-N 3.42Å; F55-N57 VanDerWaalsContact C-N 3.32Å; F55-N57 PolarHBondContact O-N 3.44Å; F55-D58 PolarHBondContact O-N 3.44Å; F55-R59 HydrophobicContact CD2-CG 4.09Å; F55-R59 HydrophobicContact CE1-CG 4.43Å; F55-R59 HydrophobicContact CE2-CG 3.64Å; F55-R59 HydrophobicContact CZ-CG 3.83Å; F55-R59 WeakPolarHBondContact O-CB 3.39Å; F55-R59 PolarHBondContact O-N 2.88Å; F55-E82 HydrophobicContact CE1-CB 4.43Å; F55-E82 HydrophobicContact CZ-CB 4.07Å; F55-E82 HydrophobicContact CZ-CG 3.86Å; F55-W83 HydrophobicContact CB-CE3 3.64Å; F55-W83 HydrophobicContact CB-CZ3 3.56Å; F55-W83 HydrophobicContact CD1-CB 3.89Å; F55-W83 HydrophobicContact CD1-CD2 4.17Å; F55-W83 AromaticContact CD1-CE3 3.52Å; F55-W83 HydrophobicContact CD1-CE3 3.52Å; F55-W83 HydrophobicContact CD1-CG 4.36Å; F55-W83 HydrophobicContact CD1-CZ3 4.34Å; F55-W83 AromaticContact CD2-CE3 3.95Å; F55-W83 HydrophobicContact CD2-CE3 3.95Å; F55-W83 HydrophobicContact CD2-CZ3 4.25Å; F55-W83 HydrophobicContact CE1-CB 3.68Å; F55-W83 HydrophobicContact CE1-CE3 4.16Å; F55-W83 HydrophobicContact CG-CD2 4.44Å; F55-W83 AromaticContact CG-CE3 3.4Å; F55-W83 HydrophobicContact CG-CE3 3.4Å; F55-W83 AromaticContact CG-CZ3 3.79Å; F55-W83 HydrophobicContact CG-CZ3 3.79Å; F55-W83 HydrophobicContact CZ-CB 4.48Å; F55-L86 HydrophobicContact CD2-CD2 4.13Å; F55-L86 HydrophobicContact CE2-CD1 4.17Å; F55-L86 HydrophobicContact CE2-CD2 4.04Å; F55-Y94 HydrophobicContact CB-CD1 4.18Å; F55-Y94 HydrophobicContact CB-CD2 4.23Å; F55-Y94 HydrophobicContact CB-CE1 4.25Å; F55-Y94 HydrophobicContact CB-CE2 4.32Å; F55-Y94 HydrophobicContact CB-CG 4.17Å; F55-Y94 HydrophobicContact CD2-CD2 4.2Å; F55-Y94 AromaticContact CD2-CE2 3.64Å; F55-Y94 HydrophobicContact CD2-CE2 3.64Å; F55-Y94 AromaticContact CD2-CZ 3.84Å; F55-Y94 HydrophobicContact CG-CE2 4.45Å |
| 56 | M | 90.4 | Very high | 87.1 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 178 | -71.1 | -72.1 | -66.5 | 0 | 0 | 112.3 | Y52 R54 R60 T76 L79 | Y52-M56 HydrophobicContact CD1-CG 4.37Å; Y52-M56 HydrophobicContact CD2-CG 3.98Å; Y52-M56 HydrophobicContact CE1-CG 4.05Å; Y52-M56 HydrophobicContact CE2-CG 3.64Å; Y52-M56 HydrophobicContact CE2-SD 3.76Å; Y52-M56 HydrophobicContact CG-CG 4.36Å; Y52-M56 WeakPolarHBondContact O-CB 3.37Å; Y52-M56 WeakPolarHBondContact O-CG 3.48Å; Y52-M56 PolarHBondContact O-N 2.71Å; R54-M56 VanDerWaalsContact C-N 3.27Å; R54-M56 PolarHBondContact O-N 2.92Å; M56-R60 WeakPolarHBondContact O-CB 3.44Å; M56-R60 PolarHBondContact O-N 3.42Å; M56-T76 HydrophobicContact CE-CG2 3.54Å; M56-L79 HydrophobicContact CE-CB 3.74Å; M56-L79 HydrophobicContact CE-CD1 4.2Å; M56-L79 HydrophobicContact SD-CB 3.31Å; M56-L79 WeakPolarHBondContact SD-CB 3.45Å; M56-L79 HydrophobicContact SD-CD1 4.32Å; M56-L79 HydrophobicContact SD-CG 4.45Å |
| 57 | N | 88.8 | Confident | 87.2 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.3 | -46 | 178.7 | -76.8 | -26.8 | 0 | 0 | 0 | 111.6 | V53 R54 F55 R60 E61 | V53-N57 WeakPolarHBondContact O-CB 3.2Å; V53-N57 VanDerWaalsContact O-CG 3.26Å; V53-N57 PolarHBondContact O-N 3.2Å; V53-N57 PolarHBondContact O-ND2 3.36Å; R54-N57 PolarHBondContact O-N 2.84Å; F55-N57 VanDerWaalsContact C-N 3.32Å; F55-N57 PolarHBondContact O-N 3.44Å; N57-R60 PolarHBondContact O-N 2.74Å; N57-R60 PolarHBondContact OD1-NH2 3.29Å; N57-E61 PolarHBondContact O-N 3.38Å |
| 58 | D | 87.8 | Confident | 87.3 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 42% | 0.422 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | -177.4 | -63.7 | -9.6 | 0 | 0 | 0 | 110.9 | R54 F55 | R54-D58 PolarHBondContact O-N 3.37Å; F55-D58 PolarHBondContact O-N 3.44Å |
| 59 | R | 87.8 | Confident | 87.3 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 31% | 0.306 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.8 | -31.2 | 179.5 | -72.5 | -59.8 | -138 | -171.8 | -0.9 | 113.7 | F55 E61 Q62 L63 L79 E82 | F55-R59 HydrophobicContact CD2-CG 4.09Å; F55-R59 HydrophobicContact CE1-CG 4.43Å; F55-R59 HydrophobicContact CE2-CG 3.64Å; F55-R59 HydrophobicContact CZ-CG 3.83Å; F55-R59 WeakPolarHBondContact O-CB 3.39Å; F55-R59 PolarHBondContact O-N 2.88Å; R59-E61 VanDerWaalsContact C-N 3.28Å; R59-E61 PolarHBondContact O-N 2.96Å; R59-Q62 WeakPolarHBondContact O-CB 3.44Å; R59-Q62 PolarHBondContact O-N 2.94Å; R59-L63 WeakPolarHBondContact O-CD1 3.3Å; R59-L63 PolarHBondContact O-N 3.5Å; R59-L79 HydrophobicContact CB-CD2 3.34Å; R59-L79 HydrophobicContact CG-CD2 4.34Å; R59-E82 IonicContact CZ-OE1 2.72Å; R59-E82 IonicContact NE-OE1 3.2Å; R59-E82 PolarHBondContact NE-OE1 3.49Å; R59-E82 IonicContact NH2-OE1 3.69Å; R59-E82 PolarHBondContact NH2-OE1 3.09Å |
| 60 | R | 87.1 | Confident | 87.1 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 26% | 0.264 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 179 | -178.3 | -177.9 | 69.7 | -154 | -12.3 | 112.8 | M56 N57 R64 I75 L79 | M56-R60 WeakPolarHBondContact O-CB 3.44Å; M56-R60 PolarHBondContact O-N 3.42Å; N57-R60 PolarHBondContact O-N 2.74Å; N57-R60 PolarHBondContact OD1-NH2 3.29Å; R60-R64 VanDerWaalsContact O-CB 3.25Å; R60-R64 WeakPolarHBondContact O-CB 3.25Å; R60-R64 PolarHBondContact O-N 3.39Å; R60-R64 VanDerWaalsContact O-N 3.08Å; R60-I75 HydrophobicContact CG-CG2 4.18Å; R60-L79 HydrophobicContact CB-CD1 3.59Å; R60-L79 HydrophobicContact CG-CD1 4.29Å |
| 61 | E | 85.8 | Confident | 86.9 | Confident | 151 Ų | 151 | 74.7 Ų | 74.7 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | 175.8 | -172.5 | 160.1 | -147.6 | 0 | 0 | 111.1 | N57 R59 R64 A65 | N57-E61 PolarHBondContact O-N 3.38Å; R59-E61 VanDerWaalsContact C-N 3.28Å; R59-E61 PolarHBondContact O-N 2.96Å; E61-R64 PolarHBondContact O-N 3.3Å; E61-A65 PolarHBondContact O-N 2.89Å; E61-A65 VanDerWaalsContact O-N 3.08Å |
| 62 | Q | 85.7 | Confident | 86.5 | Confident | 81 Ų | 81 | 79.3 Ų | 79.3 | 38% | 0.379 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.9 | -51.9 | 176 | -62.8 | 169.7 | 10.3 | 0 | 0 | 111.7 | R59 R64 A65 E66 | R59-Q62 WeakPolarHBondContact O-CB 3.44Å; R59-Q62 PolarHBondContact O-N 2.94Å; Q62-R64 VanDerWaalsContact C-N 3.27Å; Q62-R64 PolarHBondContact O-N 3.46Å; Q62-A65 WeakPolarHBondContact O-CB 3.44Å; Q62-A65 PolarHBondContact O-N 3.32Å; Q62-A65 VanDerWaalsContact O-N 3.07Å; Q62-E66 WeakPolarHBondContact O-CG 3.43Å; Q62-E66 PolarHBondContact O-N 2.97Å |
| 63 | L | 85.1 | Confident | 86.3 | Confident | 22 Ų | 22 | 79.5 Ų | 79.5 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.4 | -31.2 | -179.9 | -91.4 | 71.2 | 0 | 0 | 0 | 112.8 | R59 R67 I75 M78 L79 | R59-L63 WeakPolarHBondContact O-CD1 3.3Å; R59-L63 PolarHBondContact O-N 3.5Å; L63-R67 WeakPolarHBondContact O-CA 3.37Å; L63-R67 WeakPolarHBondContact O-CB 3.28Å; L63-R67 PolarHBondContact O-N 3.49Å; L63-I75 HydrophobicContact CB-CG2 3.92Å; L63-I75 HydrophobicContact CD2-CG2 4.17Å; L63-M78 HydrophobicContact CD2-CB 4.39Å; L63-L79 HydrophobicContact CD1-CD2 3.93Å; L63-L79 HydrophobicContact CD2-CD2 3.69Å; L63-L79 HydrophobicContact CD2-CG 4.07Å; L63-L79 HydrophobicContact CG-CD2 4.36Å |
| 64 | R | 85.4 | Confident | 86.1 | Confident | 122 Ų | 122 | 80.3 Ų | 80.3 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -71 | -34.3 | 175.2 | -170.8 | -175.4 | -57.8 | 165.4 | 3.6 | 111.9 | R60 E61 Q62 P68 I75 | R60-R64 VanDerWaalsContact O-CB 3.25Å; R60-R64 WeakPolarHBondContact O-CB 3.25Å; R60-R64 PolarHBondContact O-N 3.39Å; R60-R64 VanDerWaalsContact O-N 3.08Å; E61-R64 PolarHBondContact O-N 3.3Å; Q62-R64 VanDerWaalsContact C-N 3.27Å; Q62-R64 PolarHBondContact O-N 3.46Å; R64-P68 WeakPolarHBondContact O-CA 3.47Å; R64-I75 HydrophobicContact CB-CD1 4.44Å |
| 65 | A | 86.3 | Confident | 85.9 | Confident | 83 Ų | 83 | 79 Ų | 79 | 69% | 0.686 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -71.6 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E61 Q62 | E61-A65 PolarHBondContact O-N 2.89Å; E61-A65 VanDerWaalsContact O-N 3.08Å; Q62-A65 WeakPolarHBondContact O-CB 3.44Å; Q62-A65 PolarHBondContact O-N 3.32Å; Q62-A65 VanDerWaalsContact O-N 3.07Å |
| 66 | E | 86.6 | Confident | 85.7 | Confident | 127 Ų | 127 | 79.5 Ų | 79.5 | 59% | 0.593 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.7 | -34.7 | 178.7 | -69.5 | 172.8 | -164.1 | 0 | 0 | 113.1 | Q62 | Q62-E66 WeakPolarHBondContact O-CG 3.43Å; Q62-E66 PolarHBondContact O-N 2.97Å |
| 67 | R | 82.9 | Confident | 85.5 | Confident | 158 Ų | 158 | 84.6 Ų | 84.6 | 60% | 0.596 | 42% | 0.42 | S | S | * | . | trans | -133.6 | 69.8 | -174.2 | -57.9 | -64.6 | 176.2 | 178 | -0.8 | 110.6 | L63 D69 V70 | L63-R67 WeakPolarHBondContact O-CA 3.37Å; L63-R67 WeakPolarHBondContact O-CB 3.28Å; L63-R67 PolarHBondContact O-N 3.49Å; R67-D69 PolarHBondContact O-N 2.9Å; R67-V70 HydrophobicContact CB-CB 4.25Å; R67-V70 HydrophobicContact CB-CG2 3.78Å; R67-V70 PolarHBondContact O-N 3.25Å | ||
| 68 | P | 84.7 | Confident | 85.3 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 58% | 0.584 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.8 | 179.9 | 26.5 | -34 | 0 | 0 | 0 | 113 | R64 V70 | R64-P68 WeakPolarHBondContact O-CA 3.47Å; P68-V70 VanDerWaalsContact C-N 3.3Å; P68-V70 PolarHBondContact O-N 3.36Å |
| 69 | D | 85.1 | Confident | 85.4 | Confident | 143 Ų | 143 | 83.1 Ų | 83.1 | 77% | 0.765 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -16.3 | -176.9 | -37 | -43.6 | 0 | 0 | 0 | 112.9 | R67 | R67-D69 PolarHBondContact O-N 2.9Š|
| 70 | V | 84.6 | Confident | 85.4 | Confident | 40 Ų | 40 | 79.8 Ų | 79.8 | 24% | 0.242 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -86.2 | 127.5 | -174.2 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | R67 P68 E74 I75 | R67-V70 HydrophobicContact CB-CB 4.25Å; R67-V70 HydrophobicContact CB-CG2 3.78Å; R67-V70 PolarHBondContact O-N 3.25Å; P68-V70 VanDerWaalsContact C-N 3.3Å; P68-V70 PolarHBondContact O-N 3.36Å; V70-E74 HydrophobicContact CG1-CB 3.57Å; V70-E74 HydrophobicContact CG1-CG 3.49Å; V70-E74 VanDerWaalsContact CG1-CG 3.49Å; V70-I75 HydrophobicContact CB-CD1 4.44Å; V70-I75 HydrophobicContact CB-CG1 4.06Å; V70-I75 HydrophobicContact CG1-CG1 3.67Å; V70-I75 WeakPolarHBondContact O-CD1 3.28Å |
| 71 | P | 86.1 | Confident | 85.5 | Confident | 84 Ų | 84 | 81 Ų | 81 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | trans | -69 | 147 | -176.9 | 27.3 | -33.5 | 0 | 0 | 0 | 111.6 | P73 E74 I75 | P71-P73 VanDerWaalsContact C-N 3.34Å; P71-P73 VanDerWaalsContact O-N 3.12Å; P71-E74 HydrophobicContact CG-CB 3.99Å; P71-E74 WeakPolarHBondContact O-CA 3.47Å; P71-E74 VanDerWaalsContact O-CB 3.26Å; P71-E74 WeakPolarHBondContact O-CB 3.42Å; P71-E74 PolarHBondContact O-N 2.81Å; P71-I75 PolarHBondContact O-N 3.3Å | ||
| 72 | F | 79.4 | Confident | 85.7 | Confident | 99 Ų | 99 | 76.4 Ų | 76.4 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -47.8 | -41.6 | -175.7 | 175.3 | -90 | 0 | 0 | 0 | 115.9 | E74 I75 T76 | F72-E74 VanDerWaalsContact C-N 3.31Å; F72-E74 PolarHBondContact O-N 2.61Å; F72-I75 PolarHBondContact O-N 3.45Å; F72-T76 WeakPolarHBondContact O-CB 3.48Å; F72-T76 PolarHBondContact O-N 3.42Å; F72-T76 PolarHBondContact O-OG1 3.19Å |
| 73 | P | 84.8 | Confident | 85.9 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -34.1 | 177 | -22.3 | 35.3 | 0 | 0 | 0 | 113.4 | P71 T76 R77 | P71-P73 VanDerWaalsContact C-N 3.34Å; P71-P73 VanDerWaalsContact O-N 3.12Å; P73-T76 PolarHBondContact O-N 3.41Å; P73-R77 PolarHBondContact O-N 3.36Å; P73-R77 VanDerWaalsContact O-N 3.11Å |
| 74 | E | 84.6 | Confident | 86.1 | Confident | 72 Ų | 72 | 77 Ų | 77 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.8 | -47.9 | 178.3 | -171.5 | 67.1 | -145.7 | 0 | 0 | 110.3 | V70 P71 F72 T76 R77 M78 | V70-E74 HydrophobicContact CG1-CB 3.57Å; V70-E74 HydrophobicContact CG1-CG 3.49Å; V70-E74 VanDerWaalsContact CG1-CG 3.49Å; P71-E74 HydrophobicContact CG-CB 3.99Å; P71-E74 WeakPolarHBondContact O-CA 3.47Å; P71-E74 VanDerWaalsContact O-CB 3.26Å; P71-E74 WeakPolarHBondContact O-CB 3.42Å; P71-E74 PolarHBondContact O-N 2.81Å; F72-E74 VanDerWaalsContact C-N 3.31Å; F72-E74 PolarHBondContact O-N 2.61Å; E74-T76 VanDerWaalsContact C-N 3.28Å; E74-T76 PolarHBondContact O-N 3.48Å; E74-R77 PolarHBondContact O-N 2.96Å; E74-R77 VanDerWaalsContact O-N 3.12Å; E74-R77 IonicContact OE1-CZ 3.14Å; E74-R77 IonicContact OE1-NH1 3.47Å; E74-R77 PolarHBondContact OE1-NH1 2.89Å; E74-R77 IonicContact OE2-CZ 2.73Å; E74-R77 IonicContact OE2-NH1 2.75Å; E74-R77 PolarHBondContact OE2-NH1 2.97Å; E74-R77 IonicContact OE2-NH2 2.65Å; E74-R77 PolarHBondContact OE2-NH2 3.03Å; E74-M78 WeakPolarHBondContact O-CG 3.48Å; E74-M78 PolarHBondContact O-N 3.11Å |
| 75 | I | 84.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 79.9 Ų | 79.9 | 3% | 0.031 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -55.2 | -46.6 | 173.9 | -59.4 | -179.5 | 0 | 0 | 0 | 110.3 | R60 L63 R64 V70 P71 F72 R77 M78 L79 | R60-I75 HydrophobicContact CG-CG2 4.18Å; L63-I75 HydrophobicContact CB-CG2 3.92Å; L63-I75 HydrophobicContact CD2-CG2 4.17Å; R64-I75 HydrophobicContact CB-CD1 4.44Å; V70-I75 HydrophobicContact CB-CD1 4.44Å; V70-I75 HydrophobicContact CB-CG1 4.06Å; V70-I75 HydrophobicContact CG1-CG1 3.67Å; V70-I75 WeakPolarHBondContact O-CD1 3.28Å; P71-I75 PolarHBondContact O-N 3.3Å; F72-I75 PolarHBondContact O-N 3.45Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 PolarHBondContact O-N 3.45Å; I75-M78 PolarHBondContact O-N 3Å; I75-L79 HydrophobicContact CG2-CD1 3.98Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L79 VanDerWaalsContact O-CG 3.27Å; I75-L79 WeakPolarHBondContact O-CG 3.3Å; I75-L79 PolarHBondContact O-N 3.31Å |
| 76 | T | 85.6 | Confident | 86.5 | Confident | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.08 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | -178.3 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | M56 F72 P73 E74 G80 F165 | M56-T76 HydrophobicContact CE-CG2 3.54Å; F72-T76 WeakPolarHBondContact O-CB 3.48Å; F72-T76 PolarHBondContact O-N 3.42Å; F72-T76 PolarHBondContact O-OG1 3.19Å; P73-T76 PolarHBondContact O-N 3.41Å; E74-T76 VanDerWaalsContact C-N 3.28Å; E74-T76 PolarHBondContact O-N 3.48Å; T76-G80 PolarHBondContact O-N 3.28Å; T76-G80 VanDerWaalsContact O-N 3.1Å; T76-F165 HydrophobicContact CG2-CE2 3.6Å; T76-F165 HydrophobicContact CG2-CZ 3.79Å |
| 77 | R | 86.9 | Confident | 86.8 | Confident | 126 Ų | 126 | 73.6 Ų | 73.6 | 48% | 0.475 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.8 | -42.9 | 176.2 | -162.8 | -174.4 | -31.2 | 95.1 | 4.7 | 112.1 | P73 E74 I75 L79 G80 N81 | P73-R77 PolarHBondContact O-N 3.36Å; P73-R77 VanDerWaalsContact O-N 3.11Å; E74-R77 PolarHBondContact O-N 2.96Å; E74-R77 VanDerWaalsContact O-N 3.12Å; E74-R77 IonicContact OE1-CZ 3.14Å; E74-R77 IonicContact OE1-NH1 3.47Å; E74-R77 PolarHBondContact OE1-NH1 2.89Å; E74-R77 IonicContact OE2-CZ 2.73Å; E74-R77 IonicContact OE2-NH1 2.75Å; E74-R77 PolarHBondContact OE2-NH1 2.97Å; E74-R77 IonicContact OE2-NH2 2.65Å; E74-R77 PolarHBondContact OE2-NH2 3.03Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 PolarHBondContact O-N 3.45Å; R77-L79 VanDerWaalsContact C-N 3.29Å; R77-L79 PolarHBondContact O-N 3.33Å; R77-G80 PolarHBondContact O-N 2.79Å; R77-N81 PolarHBondContact O-N 3.45Å; R77-N81 VanDerWaalsContact O-N 3.11Å |
| 78 | M | 85.2 | Confident | 87.1 | Confident | 94 Ų | 94 | 70.8 Ų | 70.8 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 176.3 | -67.7 | 176.3 | 70.4 | 0 | 0 | 111.1 | L63 E74 I75 N81 E82 | L63-M78 HydrophobicContact CD2-CB 4.39Å; E74-M78 WeakPolarHBondContact O-CG 3.48Å; E74-M78 PolarHBondContact O-N 3.11Å; I75-M78 PolarHBondContact O-N 3Å; M78-N81 WeakPolarHBondContact O-CB 3.49Å; M78-N81 PolarHBondContact O-N 3.45Å; M78-E82 PolarHBondContact O-N 3.26Å |
| 79 | L | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.3 | -37.2 | 178.4 | -64.9 | 174 | 0 | 0 | 0 | 113.5 | M56 R59 R60 L63 I75 R77 N81 E82 W83 | M56-L79 HydrophobicContact CE-CB 3.74Å; M56-L79 HydrophobicContact CE-CD1 4.2Å; M56-L79 HydrophobicContact SD-CB 3.31Å; M56-L79 WeakPolarHBondContact SD-CB 3.45Å; M56-L79 HydrophobicContact SD-CD1 4.32Å; M56-L79 HydrophobicContact SD-CG 4.45Å; R59-L79 HydrophobicContact CB-CD2 3.34Å; R59-L79 HydrophobicContact CG-CD2 4.34Å; R60-L79 HydrophobicContact CB-CD1 3.59Å; R60-L79 HydrophobicContact CG-CD1 4.29Å; L63-L79 HydrophobicContact CD1-CD2 3.93Å; L63-L79 HydrophobicContact CD2-CD2 3.69Å; L63-L79 HydrophobicContact CD2-CG 4.07Å; L63-L79 HydrophobicContact CG-CD2 4.36Å; I75-L79 HydrophobicContact CG2-CD1 3.98Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L79 VanDerWaalsContact O-CG 3.27Å; I75-L79 WeakPolarHBondContact O-CG 3.3Å; I75-L79 PolarHBondContact O-N 3.31Å; R77-L79 VanDerWaalsContact C-N 3.29Å; R77-L79 PolarHBondContact O-N 3.33Å; L79-N81 VanDerWaalsContact C-N 3.27Å; L79-N81 PolarHBondContact O-N 3.34Å; L79-E82 PolarHBondContact O-N 3.46Å; L79-W83 PolarHBondContact O-N 2.91Å |
| 80 | G | 88.8 | Confident | 87.5 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T76 R77 S84 | T76-G80 PolarHBondContact O-N 3.28Å; T76-G80 VanDerWaalsContact O-N 3.1Å; R77-G80 PolarHBondContact O-N 2.79Å; G80-S84 PolarHBondContact O-N 3.4Å; G80-S84 PolarHBondContact O-OG 2.95Å |
| 81 | N | 89.1 | Confident | 87.7 | Confident | 96 Ų | 96 | 72.1 Ų | 72.1 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 173.8 | -69.5 | -17 | 0 | 0 | 0 | 111.9 | R77 M78 L79 S84 K85 | R77-N81 PolarHBondContact O-N 3.45Å; R77-N81 VanDerWaalsContact O-N 3.11Å; M78-N81 WeakPolarHBondContact O-CB 3.49Å; M78-N81 PolarHBondContact O-N 3.45Å; L79-N81 VanDerWaalsContact C-N 3.27Å; L79-N81 PolarHBondContact O-N 3.34Å; N81-S84 PolarHBondContact O-N 2.87Å; N81-K85 WeakPolarHBondContact O-CG 3.36Å; N81-K85 PolarHBondContact O-N 2.99Å |
| 82 | E | 89.4 | Confident | 87.9 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 176.3 | -166.3 | -175.8 | 157.7 | 0 | 0 | 111.3 | F55 R59 M78 L79 S84 K85 L86 | F55-E82 HydrophobicContact CE1-CB 4.43Å; F55-E82 HydrophobicContact CZ-CB 4.07Å; F55-E82 HydrophobicContact CZ-CG 3.86Å; R59-E82 IonicContact CZ-OE1 2.72Å; R59-E82 IonicContact NE-OE1 3.2Å; R59-E82 PolarHBondContact NE-OE1 3.49Å; R59-E82 IonicContact NH2-OE1 3.69Å; R59-E82 PolarHBondContact NH2-OE1 3.09Å; M78-E82 PolarHBondContact O-N 3.26Å; L79-E82 PolarHBondContact O-N 3.46Å; E82-S84 VanDerWaalsContact C-N 3.26Å; E82-S84 PolarHBondContact O-N 3.43Å; E82-K85 CarbonylContact O-C 3.53Å; E82-K85 PolarHBondContact O-N 2.92Å; E82-K85 VanDerWaalsContact O-N 3.1Å; E82-L86 PolarHBondContact O-N 3.44Å |
| 83 | W | 90.1 | Very high | 88.6 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 10% | 0.095 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59 | -37.2 | 175.9 | 177 | -107.5 | 0 | 0 | 0 | 113.2 | Y52 F55 L79 K85 L86 K91 Y94 | Y52-W83 HydrophobicContact CD2-CB 3.99Å; Y52-W83 AromaticContact CD2-CD1 3.3Å; Y52-W83 AromaticContact CD2-CD2 3.64Å; Y52-W83 HydrophobicContact CD2-CD2 3.64Å; Y52-W83 AromaticContact CD2-CE2 3.68Å; Y52-W83 HydrophobicContact CD2-CE3 4.46Å; Y52-W83 AromaticContact CD2-CG 3.37Å; Y52-W83 HydrophobicContact CD2-CG 3.37Å; Y52-W83 HydrophobicContact CD2-CZ2 4.49Å; Y52-W83 AromaticContact CD2-NE1 3.46Å; Y52-W83 HydrophobicContact CE2-CB 3.75Å; Y52-W83 AromaticContact CE2-CD1 3.57Å; Y52-W83 HydrophobicContact CE2-CD2 4.33Å; Y52-W83 AromaticContact CE2-CG 3.61Å; Y52-W83 HydrophobicContact CE2-CG 3.61Å; F55-W83 HydrophobicContact CB-CE3 3.64Å; F55-W83 HydrophobicContact CB-CZ3 3.56Å; F55-W83 HydrophobicContact CD1-CB 3.89Å; F55-W83 HydrophobicContact CD1-CD2 4.17Å; F55-W83 AromaticContact CD1-CE3 3.52Å; F55-W83 HydrophobicContact CD1-CE3 3.52Å; F55-W83 HydrophobicContact CD1-CG 4.36Å; F55-W83 HydrophobicContact CD1-CZ3 4.34Å; F55-W83 AromaticContact CD2-CE3 3.95Å; F55-W83 HydrophobicContact CD2-CE3 3.95Å; F55-W83 HydrophobicContact CD2-CZ3 4.25Å; F55-W83 HydrophobicContact CE1-CB 3.68Å; F55-W83 HydrophobicContact CE1-CE3 4.16Å; F55-W83 HydrophobicContact CG-CD2 4.44Å; F55-W83 AromaticContact CG-CE3 3.4Å; F55-W83 HydrophobicContact CG-CE3 3.4Å; F55-W83 AromaticContact CG-CZ3 3.79Å; F55-W83 HydrophobicContact CG-CZ3 3.79Å; F55-W83 HydrophobicContact CZ-CB 4.48Å; L79-W83 PolarHBondContact O-N 2.91Å; W83-K85 VanDerWaalsContact C-N 3.27Å; W83-K85 PolarHBondContact O-N 3.28Å; W83-L86 HydrophobicContact CE3-CD2 3.82Å; W83-L86 HydrophobicContact CZ3-CD2 3.92Å; W83-L86 WeakPolarHBondContact O-CB 3.38Å; W83-L86 PolarHBondContact O-N 3.14Å; W83-K91 HydrophobicContact CH2-CB 4.46Å; W83-K91 HydrophobicContact CH2-CG 3.52Å; W83-K91 HydrophobicContact CZ2-CD 4.15Å; W83-K91 HydrophobicContact CZ2-CG 3.57Å; W83-K91 HydrophobicContact CZ3-CG 4.03Å; W83-Y94 AromaticContact CZ3-CD2 3.9Å; W83-Y94 HydrophobicContact CZ3-CD2 3.9Å; W83-Y94 HydrophobicContact CZ3-CG 4.22Å |
| 84 | S | 89.3 | Confident | 88.9 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 64% | 0.643 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.4 | -25.9 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | G80 N81 E82 | G80-S84 PolarHBondContact O-N 3.4Å; G80-S84 PolarHBondContact O-OG 2.95Å; N81-S84 PolarHBondContact O-N 2.87Å; E82-S84 VanDerWaalsContact C-N 3.26Å; E82-S84 PolarHBondContact O-N 3.43Å |
| 85 | K | 90.3 | Very high | 89.1 | Confident | 181 Ų | 181 | 71.8 Ų | 71.8 | 79% | 0.787 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -97.5 | -1.5 | 178 | -65.6 | 178 | -178.8 | -177.3 | 0 | 113.3 | N81 E82 W83 | N81-K85 WeakPolarHBondContact O-CG 3.36Å; N81-K85 PolarHBondContact O-N 2.99Å; E82-K85 CarbonylContact O-C 3.53Å; E82-K85 PolarHBondContact O-N 2.92Å; E82-K85 VanDerWaalsContact O-N 3.1Å; W83-K85 VanDerWaalsContact C-N 3.27Å; W83-K85 PolarHBondContact O-N 3.28Å |
| 86 | L | 90 | Very high | 89.4 | Confident | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.12 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -68.1 | 139.1 | -175.6 | -161.7 | 70.7 | 0 | 0 | 0 | 110.7 | F55 E82 W83 E90 K91 Y94 | F55-L86 HydrophobicContact CD2-CD2 4.13Å; F55-L86 HydrophobicContact CE2-CD1 4.17Å; F55-L86 HydrophobicContact CE2-CD2 4.04Å; E82-L86 PolarHBondContact O-N 3.44Å; W83-L86 HydrophobicContact CE3-CD2 3.82Å; W83-L86 HydrophobicContact CZ3-CD2 3.92Å; W83-L86 WeakPolarHBondContact O-CB 3.38Å; W83-L86 PolarHBondContact O-N 3.14Å; L86-E90 HydrophobicContact CD1-CB 4.28Å; L86-E90 WeakPolarHBondContact CD1-OE2 3.4Å; L86-E90 HydrophobicContact CD2-CB 3.96Å; L86-E90 HydrophobicContact CG-CB 3.89Å; L86-K91 HydrophobicContact CD2-CB 4.3Å; L86-Y94 HydrophobicContact CD2-CD2 4.27Å; L86-Y94 HydrophobicContact CD2-CE2 4.22Å |
| 87 | P | 92.8 | Very high | 89.6 | Confident | 55 Ų | 55 | 77.8 Ų | 77.8 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | trans | -55.6 | 145.2 | 174.8 | -25.9 | 34.5 | 0 | 0 | 0 | 112.1 | E89 E90 K91 | P87-E89 PolarHBondContact O-N 3.5Å; P87-E90 PolarHBondContact O-N 3.02Å; P87-K91 WeakPolarHBondContact O-CB 3.24Å; P87-K91 PolarHBondContact O-N 3.38Å | ||
| 88 | P | 89.1 | Confident | 89.8 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 65% | 0.649 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -55.3 | -37 | 178.2 | -25.6 | 34.7 | 0 | 0 | 0 | 113.2 | K91 Q92 | P88-K91 PolarHBondContact O-N 2.96Å; P88-Q92 VanDerWaalsContact O-CB 3.25Å; P88-Q92 WeakPolarHBondContact O-CB 3.26Å; P88-Q92 PolarHBondContact O-N 2.88Å |
| 89 | E | 89.6 | Confident | 89.9 | Confident | 147 Ų | 147 | 71.9 Ų | 71.9 | 69% | 0.687 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | -179.8 | -57.3 | 93.8 | 175.7 | 0 | 0 | 112 | P87 Q92 R93 | P87-E89 PolarHBondContact O-N 3.5Å; E89-Q92 PolarHBondContact O-N 3.36Å; E89-R93 PolarHBondContact O-N 3.05Å; E89-R93 VanDerWaalsContact O-N 3.08Å |
| 90 | E | 87.2 | Confident | 89.9 | Confident | 77 Ų | 77 | 78.1 Ų | 78.1 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 178.1 | -70.4 | -164.5 | -165.1 | 0 | 0 | 111.7 | L86 P87 Q92 R93 Y94 | L86-E90 HydrophobicContact CD1-CB 4.28Å; L86-E90 WeakPolarHBondContact CD1-OE2 3.4Å; L86-E90 HydrophobicContact CD2-CB 3.96Å; L86-E90 HydrophobicContact CG-CB 3.89Å; P87-E90 PolarHBondContact O-N 3.02Å; E90-Q92 VanDerWaalsContact C-N 3.31Å; E90-Q92 PolarHBondContact O-N 3.32Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.03Å; E90-Y94 WeakPolarHBondContact O-CD2 3.48Å; E90-Y94 PolarHBondContact O-N 3.33Å |
| 91 | K | 90.6 | Very high | 90 | Very high | 76 Ų | 76 | 78.1 Ų | 78.1 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.7 | -166 | 176.6 | -175.5 | 171.4 | 0 | 111 | W83 L86 P87 P88 R93 Y94 L95 | W83-K91 HydrophobicContact CH2-CB 4.46Å; W83-K91 HydrophobicContact CH2-CG 3.52Å; W83-K91 HydrophobicContact CZ2-CD 4.15Å; W83-K91 HydrophobicContact CZ2-CG 3.57Å; W83-K91 HydrophobicContact CZ3-CG 4.03Å; L86-K91 HydrophobicContact CD2-CB 4.3Å; P87-K91 WeakPolarHBondContact O-CB 3.24Å; P87-K91 PolarHBondContact O-N 3.38Å; P88-K91 PolarHBondContact O-N 2.96Å; K91-R93 VanDerWaalsContact C-N 3.35Å; K91-R93 PolarHBondContact O-N 2.89Å; K91-Y94 PolarHBondContact O-N 3.38Å; K91-L95 WeakPolarHBondContact O-CG 3.36Å; K91-L95 PolarHBondContact O-N 2.91Å; K91-L95 VanDerWaalsContact O-N 3.13Å |
| 92 | Q | 90.3 | Very high | 89.9 | Confident | 95 Ų | 95 | 77.7 Ų | 77.7 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 178.5 | -168.8 | 61.4 | 33.3 | 0 | 0 | 111.4 | P88 E89 E90 Y94 L95 D96 | P88-Q92 VanDerWaalsContact O-CB 3.25Å; P88-Q92 WeakPolarHBondContact O-CB 3.26Å; P88-Q92 PolarHBondContact O-N 2.88Å; E89-Q92 PolarHBondContact O-N 3.36Å; E90-Q92 VanDerWaalsContact C-N 3.31Å; E90-Q92 PolarHBondContact O-N 3.32Å; Q92-Y94 VanDerWaalsContact C-N 3.27Å; Q92-Y94 PolarHBondContact O-N 3.38Å; Q92-L95 CarbonylContact O-C 3.59Å; Q92-L95 WeakPolarHBondContact O-CA 3.34Å; Q92-L95 WeakPolarHBondContact O-CB 3.41Å; Q92-L95 PolarHBondContact O-N 3.21Å; Q92-D96 PolarHBondContact NE2-OD1 3.28Å; Q92-D96 VanDerWaalsContact O-CG 3.27Å; Q92-D96 PolarHBondContact O-N 2.87Å |
| 93 | R | 92.8 | Very high | 89.7 | Confident | 134 Ų | 134 | 79.6 Ų | 79.6 | 51% | 0.506 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -53.2 | -43.2 | 175.2 | -170.4 | -176.4 | 71.6 | -152.5 | 0.3 | 112.7 | E89 E90 K91 E97 | E89-R93 PolarHBondContact O-N 3.05Å; E89-R93 VanDerWaalsContact O-N 3.08Å; E90-R93 WeakPolarHBondContact O-CB 3.46Å; E90-R93 PolarHBondContact O-N 3.03Å; K91-R93 VanDerWaalsContact C-N 3.35Å; K91-R93 PolarHBondContact O-N 2.89Å; R93-E97 WeakPolarHBondContact O-CB 3.39Å; R93-E97 PolarHBondContact O-N 3.24Å; R93-E97 VanDerWaalsContact O-N 3.1Å |
| 94 | Y | 91.3 | Very high | 89.7 | Confident | 29 Ų | 29 | 82.9 Ų | 82.9 | 11% | 0.114 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.7 | -32.6 | 177.5 | -70.4 | -73 | 0 | 0 | 0 | 113.1 | G51 R54 F55 W83 L86 E90 K91 Q92 A98 | G51-Y94 VanDerWaalsContact CA-O 3.25Å; G51-Y94 WeakPolarHBondContact CA-O 3.47Å; R54-Y94 HydrophobicContact CB-CD1 4.27Å; F55-Y94 HydrophobicContact CB-CD1 4.18Å; F55-Y94 HydrophobicContact CB-CD2 4.23Å; F55-Y94 HydrophobicContact CB-CE1 4.25Å; F55-Y94 HydrophobicContact CB-CE2 4.32Å; F55-Y94 HydrophobicContact CB-CG 4.17Å; F55-Y94 HydrophobicContact CD2-CD2 4.2Å; F55-Y94 AromaticContact CD2-CE2 3.64Å; F55-Y94 HydrophobicContact CD2-CE2 3.64Å; F55-Y94 AromaticContact CD2-CZ 3.84Å; F55-Y94 HydrophobicContact CG-CE2 4.45Å; W83-Y94 AromaticContact CZ3-CD2 3.9Å; W83-Y94 HydrophobicContact CZ3-CD2 3.9Å; W83-Y94 HydrophobicContact CZ3-CG 4.22Å; L86-Y94 HydrophobicContact CD2-CD2 4.27Å; L86-Y94 HydrophobicContact CD2-CE2 4.22Å; E90-Y94 WeakPolarHBondContact O-CD2 3.48Å; E90-Y94 PolarHBondContact O-N 3.33Å; K91-Y94 PolarHBondContact O-N 3.38Å; Q92-Y94 VanDerWaalsContact C-N 3.27Å; Q92-Y94 PolarHBondContact O-N 3.38Å; Y94-A98 WeakPolarHBondContact O-CB 3.39Å; Y94-A98 PolarHBondContact O-N 3.19Å |
| 95 | L | 89.9 | Confident | 89.6 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 38% | 0.382 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 174.8 | -65.9 | 174.1 | 0 | 0 | 0 | 111.1 | K91 Q92 E97 A98 E99 | K91-L95 WeakPolarHBondContact O-CG 3.36Å; K91-L95 PolarHBondContact O-N 2.91Å; K91-L95 VanDerWaalsContact O-N 3.13Å; Q92-L95 CarbonylContact O-C 3.59Å; Q92-L95 WeakPolarHBondContact O-CA 3.34Å; Q92-L95 WeakPolarHBondContact O-CB 3.41Å; Q92-L95 PolarHBondContact O-N 3.21Å; L95-E97 PolarHBondContact O-N 3Å; L95-A98 WeakPolarHBondContact O-CB 3.37Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-A98 VanDerWaalsContact O-N 3.13Å; L95-E99 PolarHBondContact O-N 3.43Å |
| 96 | D | 90.8 | Very high | 89.1 | Confident | 74 Ų | 74 | 76.6 Ų | 76.6 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 178.2 | -64.3 | -17.4 | 0 | 0 | 0 | 111.6 | Q92 A98 E99 R100 | Q92-D96 PolarHBondContact NE2-OD1 3.28Å; Q92-D96 VanDerWaalsContact O-CG 3.27Å; Q92-D96 PolarHBondContact O-N 2.87Å; D96-A98 VanDerWaalsContact C-N 3.31Å; D96-E99 PolarHBondContact O-N 3.32Å; D96-R100 WeakPolarHBondContact O-CG 3.46Å; D96-R100 PolarHBondContact O-N 2.9Å |
| 97 | E | 89.1 | Confident | 88.8 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 173.6 | -169.2 | 66.1 | -120.1 | 0 | 0 | 111.8 | R93 L95 R100 D101 | R93-E97 WeakPolarHBondContact O-CB 3.39Å; R93-E97 PolarHBondContact O-N 3.24Å; R93-E97 VanDerWaalsContact O-N 3.1Å; L95-E97 PolarHBondContact O-N 3Å; E97-R100 IonicContact OE1-CZ 2.66Å; E97-R100 IonicContact OE1-NH1 2.81Å; E97-R100 PolarHBondContact OE1-NH1 3.37Å; E97-R100 IonicContact OE1-NH2 3.59Å; E97-R100 IonicContact OE2-CZ 3Å; E97-R100 IonicContact OE2-NH1 3.38Å; E97-R100 PolarHBondContact OE2-NH1 3.39Å; E97-R100 IonicContact OE2-NH2 2.87Å; E97-R100 PolarHBondContact OE2-NH2 3.03Å; E97-D101 WeakPolarHBondContact O-CB 3.48Å; E97-D101 PolarHBondContact O-N 2.94Å |
| 98 | A | 90.3 | Very high | 88.4 | Confident | 11 Ų | 11 | 83.3 Ų | 83.3 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L49 Y94 L95 D96 D101 K102 | L49-A98 WeakPolarHBondContact O-CB 3.4Å; Y94-A98 WeakPolarHBondContact O-CB 3.39Å; Y94-A98 PolarHBondContact O-N 3.19Å; L95-A98 WeakPolarHBondContact O-CB 3.37Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-A98 VanDerWaalsContact O-N 3.13Å; D96-A98 VanDerWaalsContact C-N 3.31Å; A98-D101 PolarHBondContact O-N 3.49Å; A98-K102 WeakPolarHBondContact O-CB 3.35Å; A98-K102 PolarHBondContact O-N 3.44Å |
| 99 | E | 89.3 | Confident | 88 | Confident | 85 Ų | 85 | 80.8 Ų | 80.8 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.7 | -43.9 | 175.8 | -163.7 | 61.5 | -149.5 | 0 | 0 | 110.9 | L95 D96 D101 K102 E103 | L95-E99 PolarHBondContact O-N 3.43Å; D96-E99 PolarHBondContact O-N 3.32Å; E99-D101 VanDerWaalsContact C-N 3.28Å; E99-D101 PolarHBondContact O-N 2.87Å; E99-K102 WeakPolarHBondContact O-CB 2.79Å; E99-K102 PolarHBondContact O-N 2.8Å; E99-K102 VanDerWaalsContact O-N 3.11Å; E99-K102 IonicContact OE1-NZ 3.05Å; E99-K102 PolarHBondContact OE1-NZ 3.18Å; E99-K102 IonicContact OE2-NZ 3.36Å; E99-K102 PolarHBondContact OE2-NZ 3.28Å; E99-E103 WeakPolarHBondContact O-CG 3.21Å; E99-E103 PolarHBondContact O-N 2.93Å |
| 100 | R | 89.1 | Confident | 87.6 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 172.3 | -77.8 | -173 | -79.6 | 135.3 | -4.6 | 112.6 | D96 E97 E103 R104 | D96-R100 WeakPolarHBondContact O-CG 3.46Å; D96-R100 PolarHBondContact O-N 2.9Å; E97-R100 IonicContact OE1-CZ 2.66Å; E97-R100 IonicContact OE1-NH1 2.81Å; E97-R100 PolarHBondContact OE1-NH1 3.37Å; E97-R100 IonicContact OE1-NH2 3.59Å; E97-R100 IonicContact OE2-CZ 3Å; E97-R100 IonicContact OE2-NH1 3.38Å; E97-R100 PolarHBondContact OE2-NH1 3.39Å; E97-R100 IonicContact OE2-NH2 2.87Å; E97-R100 PolarHBondContact OE2-NH2 3.03Å; R100-E103 PolarHBondContact O-N 2.73Å; R100-R104 PolarHBondContact O-N 2.66Å |
| 101 | D | 89 | Confident | 87.4 | Confident | 12 Ų | 12 | 82.4 Ų | 82.4 | 6% | 0.064 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176 | -165.6 | -63.7 | 0 | 0 | 0 | 112.4 | P48 R54 E97 A98 E99 E103 R104 Y105 | P48-D101 WeakPolarHBondContact CA-OD1 3.33Å; P48-D101 HydrophobicContact CB-CB 4.44Å; P48-D101 WeakPolarHBondContact CB-OD1 3.48Å; R54-D101 IonicContact CZ-OD2 3.06Å; R54-D101 IonicContact NH1-OD2 3.68Å; R54-D101 IonicContact NH2-OD1 3.72Å; R54-D101 IonicContact NH2-OD2 2.91Å; R54-D101 PolarHBondContact NH2-OD2 2.98Å; E97-D101 WeakPolarHBondContact O-CB 3.48Å; E97-D101 PolarHBondContact O-N 2.94Å; A98-D101 PolarHBondContact O-N 3.49Å; E99-D101 VanDerWaalsContact C-N 3.28Å; E99-D101 PolarHBondContact O-N 2.87Å; D101-E103 VanDerWaalsContact C-N 3.34Å; D101-E103 PolarHBondContact O-N 3.15Å; D101-R104 WeakPolarHBondContact O-CB 3.46Å; D101-R104 PolarHBondContact O-N 3.18Å; D101-R104 IonicContact OD1-CZ 2.86Å; D101-R104 IonicContact OD1-NH1 3.28Å; D101-R104 IonicContact OD1-NH2 3.76Å; D101-R104 PolarHBondContact OD1-NH2 3.37Å; D101-R104 IonicContact OD2-CZ 3.26Å; D101-R104 IonicContact OD2-NH1 2.99Å; D101-R104 PolarHBondContact OD2-NH1 2.84Å; D101-R104 IonicContact OD2-NH2 3.81Å; D101-R104 PolarHBondContact OD2-NH2 3.45Å; D101-Y105 WeakPolarHBondContact O-CB 3.37Å; D101-Y105 PolarHBondContact O-N 2.84Å |
| 102 | K | 87 | Confident | 86.8 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.4 | 175.9 | -178.1 | 158.6 | -143.1 | 0 | 111.2 | P48 A98 E99 Y105 M106 | P48-K102 HydrophobicContact CB-CB 4.29Å; P48-K102 HydrophobicContact CG-CB 4.28Å; A98-K102 WeakPolarHBondContact O-CB 3.35Å; A98-K102 PolarHBondContact O-N 3.44Å; E99-K102 WeakPolarHBondContact O-CB 2.79Å; E99-K102 PolarHBondContact O-N 2.8Å; E99-K102 VanDerWaalsContact O-N 3.11Å; E99-K102 IonicContact OE1-NZ 3.05Å; E99-K102 PolarHBondContact OE1-NZ 3.18Å; E99-K102 IonicContact OE2-NZ 3.36Å; E99-K102 PolarHBondContact OE2-NZ 3.28Å; K102-Y105 PolarHBondContact O-N 3.04Å; K102-M106 HydrophobicContact CG-CE 4.39Å; K102-M106 WeakPolarHBondContact O-CG 3.38Å; K102-M106 PolarHBondContact O-N 3.4Å |
| 103 | E | 86.8 | Confident | 86.3 | Confident | 94 Ų | 94 | 79.4 Ų | 79.4 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 173.8 | -71.2 | 177.5 | -174.7 | 0 | 0 | 112.4 | E99 R100 D101 Y105 M106 R107 | E99-E103 WeakPolarHBondContact O-CG 3.21Å; E99-E103 PolarHBondContact O-N 2.93Å; R100-E103 PolarHBondContact O-N 2.73Å; D101-E103 VanDerWaalsContact C-N 3.34Å; D101-E103 PolarHBondContact O-N 3.15Å; E103-Y105 VanDerWaalsContact C-N 3.34Å; E103-Y105 PolarHBondContact O-N 2.99Å; E103-M106 HydrophobicContact CG-CE 4.25Å; E103-M106 PolarHBondContact O-N 2.86Å; E103-R107 PolarHBondContact O-N 2.76Å |
| 104 | R | 90.2 | Very high | 85.6 | Confident | 95 Ų | 95 | 80.9 Ų | 80.9 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 174.6 | -173.6 | -166.5 | 69.7 | -115.3 | -5.6 | 110.9 | R100 D101 M106 R107 E108 | R100-R104 PolarHBondContact O-N 2.66Å; D101-R104 WeakPolarHBondContact O-CB 3.46Å; D101-R104 PolarHBondContact O-N 3.18Å; D101-R104 IonicContact OD1-CZ 2.86Å; D101-R104 IonicContact OD1-NH1 3.28Å; D101-R104 IonicContact OD1-NH2 3.76Å; D101-R104 PolarHBondContact OD1-NH2 3.37Å; D101-R104 IonicContact OD2-CZ 3.26Å; D101-R104 IonicContact OD2-NH1 2.99Å; D101-R104 PolarHBondContact OD2-NH1 2.84Å; D101-R104 IonicContact OD2-NH2 3.81Å; D101-R104 PolarHBondContact OD2-NH2 3.45Å; R104-M106 PolarHBondContact O-N 3.44Å; R104-R107 PolarHBondContact O-N 3.19Å; R104-E108 HydrophobicContact CG-CG 4.5Å; R104-E108 WeakPolarHBondContact CG-OE1 3.38Å; R104-E108 IonicContact NE-OE1 3.62Å; R104-E108 WeakPolarHBondContact O-CG 3.28Å; R104-E108 PolarHBondContact O-N 2.81Å |
| 105 | Y | 85.5 | Confident | 85 | Confident | 54 Ų | 54 | 82.6 Ų | 82.6 | 21% | 0.212 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 178.5 | 172.5 | -100.4 | 0 | 0 | 0 | 112.2 | P45 K46 P48 D101 K102 E103 R107 E108 L109 | P45-Y105 HydrophobicContact CB-CD2 3.77Å; P45-Y105 HydrophobicContact CB-CE2 3.81Å; P45-Y105 WeakPolarHBondContact O-CE2 3.44Å; K46-Y105 WeakPolarHBondContact O-CD2 3.1Å; P48-Y105 HydrophobicContact CG-CD1 4.06Å; P48-Y105 HydrophobicContact CG-CG 4.13Å; D101-Y105 WeakPolarHBondContact O-CB 3.37Å; D101-Y105 PolarHBondContact O-N 2.84Å; K102-Y105 PolarHBondContact O-N 3.04Å; E103-Y105 VanDerWaalsContact C-N 3.34Å; E103-Y105 PolarHBondContact O-N 2.99Å; Y105-R107 VanDerWaalsContact C-N 3.34Å; Y105-R107 PolarHBondContact O-N 3.03Å; Y105-E108 PolarHBondContact O-N 3Å; Y105-L109 HydrophobicContact CE1-CB 4.48Å; Y105-L109 HydrophobicContact CE1-CD2 3.88Å; Y105-L109 WeakPolarHBondContact O-CB 3.41Å; Y105-L109 PolarHBondContact O-N 3.28Å |
| 106 | M | 80.1 | Confident | 84.2 | Confident | 86 Ų | 86 | 84.8 Ų | 84.8 | 42% | 0.424 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 176.8 | -72.6 | -172.8 | -58.5 | 0 | 0 | 110.8 | K102 E103 R104 E108 L109 E110 | K102-M106 HydrophobicContact CG-CE 4.39Å; K102-M106 WeakPolarHBondContact O-CG 3.38Å; K102-M106 PolarHBondContact O-N 3.4Å; E103-M106 HydrophobicContact CG-CE 4.25Å; E103-M106 PolarHBondContact O-N 2.86Å; R104-M106 PolarHBondContact O-N 3.44Å; M106-E108 PolarHBondContact O-N 3.26Å; M106-L109 PolarHBondContact O-N 2.97Å; M106-E110 WeakPolarHBondContact O-CG 3.42Å; M106-E110 PolarHBondContact O-N 3.45Å |
| 107 | R | 84 | Confident | 83.4 | Confident | 139 Ų | 139 | 82.9 Ų | 82.9 | 53% | 0.525 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 177.6 | -168.3 | -175.3 | -61.8 | 124.8 | 2.4 | 112.6 | E103 R104 Y105 K111 | E103-R107 PolarHBondContact O-N 2.76Å; R104-R107 PolarHBondContact O-N 3.19Å; Y105-R107 VanDerWaalsContact C-N 3.34Å; Y105-R107 PolarHBondContact O-N 3.03Å; R107-K111 WeakPolarHBondContact O-CG 3.47Å; R107-K111 PolarHBondContact O-N 2.9Å |
| 108 | E | 84.8 | Confident | 82.6 | Confident | 81 Ų | 81 | 83.2 Ų | 83.2 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 176.1 | -74 | 176.3 | -172.7 | 0 | 0 | 111.7 | P45 R104 Y105 M106 K111 Y112 | P45-E108 HydrophobicContact CB-CB 3.95Å; P45-E108 HydrophobicContact CG-CB 3.75Å; R104-E108 HydrophobicContact CG-CG 4.5Å; R104-E108 WeakPolarHBondContact CG-OE1 3.38Å; R104-E108 IonicContact NE-OE1 3.62Å; R104-E108 WeakPolarHBondContact O-CG 3.28Å; R104-E108 PolarHBondContact O-N 2.81Å; Y105-E108 PolarHBondContact O-N 3Å; M106-E108 PolarHBondContact O-N 3.26Å; E108-K111 PolarHBondContact O-N 3.24Å; E108-Y112 VanDerWaalsContact O-CB 3.28Å; E108-Y112 WeakPolarHBondContact O-CB 3.46Å; E108-Y112 PolarHBondContact O-N 3.09Å |
| 109 | L | 81.3 | Confident | 81.9 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 178.9 | -174.7 | 68.2 | 0 | 0 | 0 | 111.4 | Y105 M106 K111 Y112 Q113 | Y105-L109 HydrophobicContact CE1-CB 4.48Å; Y105-L109 HydrophobicContact CE1-CD2 3.88Å; Y105-L109 WeakPolarHBondContact O-CB 3.41Å; Y105-L109 PolarHBondContact O-N 3.28Å; M106-L109 PolarHBondContact O-N 2.97Å; L109-K111 VanDerWaalsContact C-N 3.35Å; L109-Y112 WeakPolarHBondContact O-CB 3.32Å; L109-Y112 PolarHBondContact O-N 3.12Å; L109-Q113 WeakPolarHBondContact O-CB 3.36Å; L109-Q113 VanDerWaalsContact O-CG 3.27Å; L109-Q113 WeakPolarHBondContact O-CG 3.37Å; L109-Q113 PolarHBondContact O-N 2.86Å |
| 110 | E | 80.6 | Confident | 81.1 | Confident | 115 Ų | 115 | 89 Ų | 89 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 173.8 | -76.1 | 175.6 | -174.5 | 0 | 0 | 112 | M106 K114 | M106-E110 WeakPolarHBondContact O-CG 3.42Å; M106-E110 PolarHBondContact O-N 3.45Å; E110-K114 WeakPolarHBondContact O-CG 3.47Å; E110-K114 PolarHBondContact O-N 3.38Å |
| 111 | K | 82.6 | Confident | 80.4 | Confident | 142 Ų | 142 | 85.1 Ų | 85.1 | 62% | 0.617 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 174 | -71 | 177.8 | -179.4 | -175.3 | 0 | 111 | R107 E108 L109 Q113 K114 T115 | R107-K111 WeakPolarHBondContact O-CG 3.47Å; R107-K111 PolarHBondContact O-N 2.9Å; E108-K111 PolarHBondContact O-N 3.24Å; L109-K111 VanDerWaalsContact C-N 3.35Å; K111-Q113 PolarHBondContact O-N 3.42Å; K111-K114 PolarHBondContact O-N 2.9Å; K111-T115 PolarHBondContact O-OG1 3.46Å |
| 112 | Y | 78.6 | Confident | 79.6 | Confident | 21 Ų | 21 | 86.5 Ų | 86.5 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 179.3 | -175.4 | -116.9 | 0 | 0 | 0 | 112 | D41 N43 A44 P45 E108 L109 K114 T115 A117 Y118 | D41-Y112 PolarHBondContact OD1-OH 3.45Å; D41-Y112 PolarHBondContact OD2-OH 2.88Å; N43-Y112 HydrophobicContact CB-CE2 3.78Å; N43-Y112 WeakPolarHBondContact O-CD2 3.4Å; N43-Y112 WeakPolarHBondContact O-CE2 3.39Å; A44-Y112 HydrophobicContact CB-CD1 4.3Å; A44-Y112 HydrophobicContact CB-CE1 3.85Å; P45-Y112 HydrophobicContact CG-CG 4.41Å; E108-Y112 VanDerWaalsContact O-CB 3.28Å; E108-Y112 WeakPolarHBondContact O-CB 3.46Å; E108-Y112 PolarHBondContact O-N 3.09Å; L109-Y112 WeakPolarHBondContact O-CB 3.32Å; L109-Y112 PolarHBondContact O-N 3.12Å; Y112-K114 PolarHBondContact O-N 3.44Å; Y112-T115 VanDerWaalsContact O-CB 3.28Å; Y112-T115 WeakPolarHBondContact O-CB 3.47Å; Y112-T115 PolarHBondContact O-N 2.95Å; Y112-T115 PolarHBondContact O-OG1 2.94Å; Y112-A117 HydrophobicContact CE2-CB 4.19Å; Y112-Y118 AromaticContact CD1-CD2 3.85Å; Y112-Y118 HydrophobicContact CD1-CD2 3.85Å; Y112-Y118 HydrophobicContact CD1-CG 4.44Å; Y112-Y118 AromaticContact CE1-CD2 3.58Å; Y112-Y118 HydrophobicContact CE1-CD2 3.58Å; Y112-Y118 HydrophobicContact CE1-CG 4.26Å; Y112-Y118 WeakPolarHBondContact O-CB 3.44Å |
| 113 | Q | 78.6 | Confident | 79.1 | Confident | 87 Ų | 87 | 90.2 Ų | 90.2 | 41% | 0.407 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.7 | -30.2 | 178.4 | -76.2 | 178.7 | 60.9 | 0 | 0 | 113.4 | L109 K111 T115 Y118 | L109-Q113 WeakPolarHBondContact O-CB 3.36Å; L109-Q113 VanDerWaalsContact O-CG 3.27Å; L109-Q113 WeakPolarHBondContact O-CG 3.37Å; L109-Q113 PolarHBondContact O-N 2.86Å; K111-Q113 PolarHBondContact O-N 3.42Å; Q113-T115 VanDerWaalsContact C-N 3.29Å; Q113-T115 PolarHBondContact O-N 3.22Å; Q113-Y118 HydrophobicContact CB-CD1 4.17Å; Q113-Y118 HydrophobicContact CB-CE1 4.15Å; Q113-Y118 HydrophobicContact CG-CD1 4.3Å; Q113-Y118 HydrophobicContact CG-CD2 4.47Å; Q113-Y118 HydrophobicContact CG-CE1 3.94Å; Q113-Y118 HydrophobicContact CG-CE2 4.13Å; Q113-Y118 VanDerWaalsContact O-CD1 3.23Å; Q113-Y118 WeakPolarHBondContact O-CD1 3.27Å |
| 114 | K | 78.2 | Confident | 78.6 | Confident | 166 Ų | 166 | 90.6 Ų | 90.6 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10 | 177.4 | -66.1 | 174.7 | -177.3 | 178.2 | 0 | 113.5 | E110 K111 Y112 | E110-K114 WeakPolarHBondContact O-CG 3.47Å; E110-K114 PolarHBondContact O-N 3.38Å; K111-K114 PolarHBondContact O-N 2.9Å; Y112-K114 PolarHBondContact O-N 3.44Å |
| 115 | T | 79.1 | Confident | 77.8 | Confident | 65 Ų | 65 | 89.1 Ų | 89.1 | 40% | 0.399 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -85 | 147.6 | -173.9 | -42 | 0 | 0 | 0 | 0 | 111.4 | K111 Y112 Q113 A117 Y118 K119 | K111-T115 PolarHBondContact O-OG1 3.46Å; Y112-T115 VanDerWaalsContact O-CB 3.28Å; Y112-T115 WeakPolarHBondContact O-CB 3.47Å; Y112-T115 PolarHBondContact O-N 2.95Å; Y112-T115 PolarHBondContact O-OG1 2.94Å; Q113-T115 VanDerWaalsContact C-N 3.29Å; Q113-T115 PolarHBondContact O-N 3.22Å; T115-A117 HydrophobicContact CG2-CB 4.21Å; T115-A117 PolarHBondContact O-N 3.5Å; T115-Y118 PolarHBondContact O-N 3.38Å; T115-K119 PolarHBondContact O-N 2.92Å |
| 116 | E | 72.4 | Confident | 77.1 | Confident | 119 Ų | 119 | 92 Ų | 92 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.9 | -29.1 | 175 | -68.2 | -54.8 | 121.4 | 0 | 0 | 113 | Y118 K119 H120 | E116-Y118 VanDerWaalsContact C-N 3.33Å; E116-Y118 PolarHBondContact O-N 2.98Å; E116-K119 PolarHBondContact O-N 3.42Å; E116-K119 WeakPolarHBondContact OE1-CD 3.46Å; E116-K119 WeakPolarHBondContact OE1-CE 3.49Å; E116-K119 IonicContact OE1-NZ 2.62Å; E116-K119 PolarHBondContact OE1-NZ 3.34Å; E116-H120 WeakPolarHBondContact O-CB 3.49Å; E116-H120 PolarHBondContact O-N 3.26Å |
| 117 | A | 73.8 | Confident | 76.6 | Confident | 33 Ų | 33 | 94.5 Ų | 94.5 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57 | -43.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y112 T115 H120 F121 | Y112-A117 HydrophobicContact CE2-CB 4.19Å; T115-A117 HydrophobicContact CG2-CB 4.21Å; T115-A117 PolarHBondContact O-N 3.5Å; A117-H120 PolarHBondContact O-N 3.09Å; A117-F121 WeakPolarHBondContact O-CB 3.43Å; A117-F121 PolarHBondContact O-N 3.07Å |
| 118 | Y | 73.5 | Confident | 75.8 | Confident | 80 Ų | 80 | 95.4 Ų | 95.4 | 31% | 0.314 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 178.2 | 178.6 | -103 | 0 | 0 | 0 | 112.1 | Y112 Q113 T115 E116 H120 F121 T122 | Y112-Y118 AromaticContact CD1-CD2 3.85Å; Y112-Y118 HydrophobicContact CD1-CD2 3.85Å; Y112-Y118 HydrophobicContact CD1-CG 4.44Å; Y112-Y118 AromaticContact CE1-CD2 3.58Å; Y112-Y118 HydrophobicContact CE1-CD2 3.58Å; Y112-Y118 HydrophobicContact CE1-CG 4.26Å; Y112-Y118 WeakPolarHBondContact O-CB 3.44Å; Q113-Y118 HydrophobicContact CB-CD1 4.17Å; Q113-Y118 HydrophobicContact CB-CE1 4.15Å; Q113-Y118 HydrophobicContact CG-CD1 4.3Å; Q113-Y118 HydrophobicContact CG-CD2 4.47Å; Q113-Y118 HydrophobicContact CG-CE1 3.94Å; Q113-Y118 HydrophobicContact CG-CE2 4.13Å; Q113-Y118 VanDerWaalsContact O-CD1 3.23Å; Q113-Y118 WeakPolarHBondContact O-CD1 3.27Å; T115-Y118 PolarHBondContact O-N 3.38Å; E116-Y118 VanDerWaalsContact C-N 3.33Å; E116-Y118 PolarHBondContact O-N 2.98Å; Y118-H120 PolarHBondContact O-N 2.82Å; Y118-F121 PolarHBondContact O-N 3.12Å; Y118-T122 VanDerWaalsContact O-CB 3.29Å; Y118-T122 WeakPolarHBondContact O-CB 3.46Å; Y118-T122 PolarHBondContact O-N 2.87Å; Y118-T122 PolarHBondContact O-OG1 3.15Å |
| 119 | K | 75.1 | Confident | 74.7 | Confident | 100 Ų | 100 | 97.7 Ų | 97.7 | 44% | 0.435 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.4 | -63.9 | -179.5 | -170.8 | 165.5 | 0 | 111.4 | T115 E116 T122 R123 | T115-K119 PolarHBondContact O-N 2.92Å; E116-K119 PolarHBondContact O-N 3.42Å; E116-K119 WeakPolarHBondContact OE1-CD 3.46Å; E116-K119 WeakPolarHBondContact OE1-CE 3.49Å; E116-K119 IonicContact OE1-NZ 2.62Å; E116-K119 PolarHBondContact OE1-NZ 3.34Å; K119-T122 PolarHBondContact O-N 2.95Å; K119-R123 WeakPolarHBondContact O-CB 3.47Å; K119-R123 PolarHBondContact O-N 2.99Å |
| 120 | H | 72 | Confident | 73.7 | Confident | 118 Ų | 118 | 102.8 Ų | 102.8 | 55% | 0.546 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 177.1 | 179.2 | -97.3 | 0 | 0 | 0 | 112.2 | E116 A117 Y118 R123 K124 | E116-H120 WeakPolarHBondContact O-CB 3.49Å; E116-H120 PolarHBondContact O-N 3.26Å; A117-H120 PolarHBondContact O-N 3.09Å; Y118-H120 PolarHBondContact O-N 2.82Å; H120-R123 PolarHBondContact O-N 3.09Å; H120-K124 WeakPolarHBondContact O-CB 3.5Å; H120-K124 PolarHBondContact O-N 2.92Å |
| 121 | F | 75.4 | Confident | 72.4 | Confident | 48 Ų | 48 | 99.8 Ų | 99.8 | 21% | 0.211 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 174.5 | 179.1 | -99.9 | 0 | 0 | 0 | 111.6 | D41 A117 Y118 R123 K124 V125 | D41-F121 HydrophobicContact CB-CD1 4.39Å; D41-F121 HydrophobicContact CB-CD2 3.8Å; D41-F121 HydrophobicContact CB-CE1 4.28Å; D41-F121 HydrophobicContact CB-CE2 3.67Å; D41-F121 HydrophobicContact CB-CG 4.17Å; D41-F121 HydrophobicContact CB-CZ 3.92Å; D41-F121 VanDerWaalsContact OD2-CB 3.25Å; D41-F121 WeakPolarHBondContact OD2-CB 3.33Å; D41-F121 WeakPolarHBondContact OD2-CD2 3.43Å; D41-F121 WeakPolarHBondContact OD2-CG 3.26Å; A117-F121 WeakPolarHBondContact O-CB 3.43Å; A117-F121 PolarHBondContact O-N 3.07Å; Y118-F121 PolarHBondContact O-N 3.12Å; F121-R123 PolarHBondContact O-N 3.03Å; F121-K124 PolarHBondContact O-N 3.29Å; F121-V125 HydrophobicContact CD1-CG2 4.24Å; F121-V125 HydrophobicContact CE1-CG2 3.86Å; F121-V125 HydrophobicContact CE2-CG2 4.26Å; F121-V125 HydrophobicContact CZ-CG2 3.87Å; F121-V125 WeakPolarHBondContact O-CG2 3.35Å; F121-V125 PolarHBondContact O-N 3.3Å |
| 122 | T | 73 | Confident | 71.1 | Confident | 41 Ų | 41 | 101.4 Ų | 101.4 | 25% | 0.252 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.2 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | Y118 K119 V125 Q126 | Y118-T122 VanDerWaalsContact O-CB 3.29Å; Y118-T122 WeakPolarHBondContact O-CB 3.46Å; Y118-T122 PolarHBondContact O-N 2.87Å; Y118-T122 PolarHBondContact O-OG1 3.15Å; K119-T122 PolarHBondContact O-N 2.95Å; T122-V125 PolarHBondContact O-N 2.98Å; T122-Q126 WeakPolarHBondContact O-CG 3.42Å; T122-Q126 PolarHBondContact O-N 3.04Å |
| 123 | R | 76.5 | Confident | 69.7 | Low | 163 Ų | 163 | 110.3 Ų | 110.3 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 174.5 | -170.8 | -176.1 | -60.3 | 170.8 | 2.1 | 111.8 | K119 H120 F121 V125 Q126 E127 | K119-R123 WeakPolarHBondContact O-CB 3.47Å; K119-R123 PolarHBondContact O-N 2.99Å; H120-R123 PolarHBondContact O-N 3.09Å; F121-R123 PolarHBondContact O-N 3.03Å; R123-V125 VanDerWaalsContact C-N 3.33Å; R123-V125 PolarHBondContact O-N 2.94Å; R123-Q126 PolarHBondContact O-N 3.41Å; R123-E127 WeakPolarHBondContact O-CB 3.44Å; R123-E127 PolarHBondContact O-N 3.4Å |
| 124 | K | 74.4 | Confident | 68.1 | Low | 103 Ų | 103 | 114.9 Ų | 114.9 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -34.7 | 179.3 | -170.6 | 173 | -177.7 | 169.9 | 0 | 112.7 | M39 H120 F121 K128 | M39-K124 HydrophobicContact CE-CD 4.19Å; H120-K124 WeakPolarHBondContact O-CB 3.5Å; H120-K124 PolarHBondContact O-N 2.92Å; F121-K124 PolarHBondContact O-N 3.29Å; K124-K128 WeakPolarHBondContact O-CB 3.4Å; K124-K128 PolarHBondContact O-N 3.24Å |
| 125 | V | 75.1 | Confident | 66.4 | Low | 64 Ų | 64 | 118.5 Ų | 118.5 | 39% | 0.388 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 173.2 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | F121 T122 R123 K128 Q129 | F121-V125 HydrophobicContact CD1-CG2 4.24Å; F121-V125 HydrophobicContact CE1-CG2 3.86Å; F121-V125 HydrophobicContact CE2-CG2 4.26Å; F121-V125 HydrophobicContact CZ-CG2 3.87Å; F121-V125 WeakPolarHBondContact O-CG2 3.35Å; F121-V125 PolarHBondContact O-N 3.3Å; T122-V125 PolarHBondContact O-N 2.98Å; R123-V125 VanDerWaalsContact C-N 3.33Å; R123-V125 PolarHBondContact O-N 2.94Å; V125-K128 PolarHBondContact O-N 2.99Å; V125-Q129 WeakPolarHBondContact O-CB 3.24Å; V125-Q129 PolarHBondContact O-N 2.88Å; V125-Q129 VanDerWaalsContact O-N 3.1Å |
| 126 | Q | 69.2 | Low | 64.6 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -42.4 | 178.6 | -73.6 | -179.2 | 20.2 | 0 | 0 | 112.9 | T122 R123 K128 Q129 K130 | T122-Q126 WeakPolarHBondContact O-CG 3.42Å; T122-Q126 PolarHBondContact O-N 3.04Å; R123-Q126 PolarHBondContact O-N 3.41Å; Q126-K128 PolarHBondContact O-N 3.47Å; Q126-Q129 PolarHBondContact O-N 3.27Å; Q126-Q129 VanDerWaalsContact O-N 3.16Å; Q126-K130 PolarHBondContact O-N 3.5Å |
| 127 | E | 69.6 | Low | 63 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.2 | -43.7 | 178.6 | -171.4 | 177.9 | -167.7 | 0 | 0 | 111.7 | R123 Q129 K130 G131 | R123-E127 WeakPolarHBondContact O-CB 3.44Å; R123-E127 PolarHBondContact O-N 3.4Å; E127-Q129 VanDerWaalsContact C-N 3.26Å; E127-Q129 PolarHBondContact O-N 3.15Å; E127-K130 PolarHBondContact O-N 2.92Å; E127-G131 PolarHBondContact O-N 3.43Å |
| 128 | K | 67.2 | Low | 61.3 | Low | 158 Ų | 158 | 125.6 Ų | 125.6 | 69% | 0.687 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.7 | -29.2 | 175.4 | -168.6 | 172.8 | -176.6 | 173.5 | 0 | 112.9 | K124 V125 Q126 K132 | K124-K128 WeakPolarHBondContact O-CB 3.4Å; K124-K128 PolarHBondContact O-N 3.24Å; V125-K128 PolarHBondContact O-N 2.99Å; Q126-K128 PolarHBondContact O-N 3.47Å; K128-K132 PolarHBondContact O-N 3.48Å |
| 129 | Q | 62 | Low | 59.6 | Low | 129 Ų | 129 | 125 Ų | 125 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.2 | -35.7 | 178.1 | -157.7 | 148.9 | 19.2 | 0 | 0 | 111.8 | V125 Q126 E127 K132 R133 | V125-Q129 WeakPolarHBondContact O-CB 3.24Å; V125-Q129 PolarHBondContact O-N 2.88Å; V125-Q129 VanDerWaalsContact O-N 3.1Å; Q126-Q129 PolarHBondContact O-N 3.27Å; Q126-Q129 VanDerWaalsContact O-N 3.16Å; E127-Q129 VanDerWaalsContact C-N 3.26Å; E127-Q129 PolarHBondContact O-N 3.15Å; Q129-K132 PolarHBondContact O-N 3.25Å; Q129-R133 PolarHBondContact O-N 2.85Å |
| 130 | K | 60.3 | Low | 57.7 | Low | 154 Ų | 154 | 129 Ų | 129 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.7 | -43.4 | 169.6 | -77.7 | -175.2 | 176 | -177.7 | 0 | 112.1 | Q126 E127 K132 R133 | Q126-K130 PolarHBondContact O-N 3.5Å; E127-K130 PolarHBondContact O-N 2.92Å; K130-K132 PolarHBondContact O-N 2.95Å; K130-R133 PolarHBondContact O-N 3.01Å; K130-R133 VanDerWaalsContact O-N 3.1Å |
| 131 | G | 54.3 | Low | 56 | Low | 53 Ų | 53 | 131.9 Ų | 131.9 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.8 | -21.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E127 | E127-G131 PolarHBondContact O-N 3.43Å |
| 132 | K | 55 | Low | 54.3 | Low | 175 Ų | 175 | 136.1 Ų | 136.1 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -83 | -24.7 | 175.7 | -122.8 | 177.9 | 178.3 | -170.9 | 0 | 113.6 | K128 Q129 K130 | K128-K132 PolarHBondContact O-N 3.48Å; Q129-K132 PolarHBondContact O-N 3.25Å; K130-K132 PolarHBondContact O-N 2.95Å |
| 133 | R | 49.1 | Very low | 52.7 | Low | 208 Ų | 208 | 138.9 Ų | 138.9 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -78.4 | -24.8 | 179 | -67.1 | -177.7 | 74.7 | -178.8 | 2.2 | 112.7 | Q129 K130 R135 | Q129-R133 PolarHBondContact O-N 2.85Å; K130-R133 PolarHBondContact O-N 3.01Å; K130-R133 VanDerWaalsContact O-N 3.1Å; R133-R135 VanDerWaalsContact C-N 3.26Å; R133-R135 PolarHBondContact O-N 3.2Å |
| 134 | H | 44.5 | Very low | 50.9 | Low | 184 Ų | 184 | 136.3 Ų | 136.3 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 2.9 | -178.9 | -136.7 | 51.8 | 0 | 0 | 0 | 114.6 | ||
| 135 | R | 42.8 | Very low | 49.2 | Very low | 241 Ų | 241 | 140.4 Ų | 140.4 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 7.3 | -178.6 | -112.9 | -171.7 | -166.4 | -167.4 | 4.4 | 114.6 | R133 | R133-R135 VanDerWaalsContact C-N 3.26Å; R133-R135 PolarHBondContact O-N 3.2Å |
| 136 | G | 41.8 | Very low | 47.4 | Very low | 66 Ų | 66 | 141.7 Ų | 141.7 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | -135.7 | 28.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 137 | D | 39.3 | Very low | 45.8 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -105 | 69.8 | 174.4 | -167.3 | 46.4 | 0 | 0 | 0 | 110.3 | ||||
| 138 | V | 37.8 | Very low | 44.4 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -153 | 110 | 148.5 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | ||
| 139 | G | 36.7 | Very low | 42.9 | Very low | 69 Ų | 69 | 146.5 Ų | 146.5 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 119.9 | 129.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 140 | H | 35.5 | Very low | 41.8 | Very low | 182 Ų | 182 | 148 Ų | 148 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 89.1 | 80.5 | 163.1 | -86.4 | 54.2 | 0 | 0 | 0 | 118.8 | ||||
| 141 | Q | 37.3 | Very low | 40.5 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | -62.6 | 163.1 | 127.8 | -72.8 | 170.8 | -1.3 | 0 | 0 | 109.8 | |||||
| 142 | V | 38.8 | Very low | 40.2 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | 84.3 | 95.8 | 178 | -144 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 143 | A | 39.1 | Very low | 39.6 | Very low | 98 Ų | 98 | 151.2 Ų | 151.2 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | 174.3 | 65.5 | 141.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 144 | S | 39.9 | Very low | 39.1 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -80.5 | 142.1 | 146.7 | 173.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 145 | E | 38 | Very low | 39 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | 76.6 | 86.4 | -177.7 | -59.8 | 176.6 | 143.2 | 0 | 0 | 116 | ||||
| 146 | A | 37.9 | Very low | 39 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -172 | 120.9 | 132.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 147 | L | 34.9 | Very low | 39.4 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 94% | 0.937 | 80% | 0.804 | S | S | * | * | trans | 168.2 | 58.3 | 136.3 | -82.8 | 176.9 | 0 | 0 | 0 | 107.8 | ||||
| 148 | H | 40.3 | Very low | 40.3 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | -106 | 110.9 | 141.3 | -147.9 | 78.9 | 0 | 0 | 0 | 103.6 | ||||
| 149 | E | 36 | Very low | 41.2 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 65% | 0.654 | 76% | 0.761 | S | S | * | * | 176.6 | 122.3 | 123.6 | -162.1 | 160.1 | -166.7 | 0 | 0 | 111.8 | |||||
| 150 | K | 39.2 | Very low | 42 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | trans | 56.4 | 106.3 | 150.4 | -70.1 | 169.9 | -174.7 | 157.5 | 0 | 119.6 | ||||
| 151 | D | 33 | Very low | 43.2 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | -114.8 | 123.7 | 113.1 | -78.6 | -46.5 | 0 | 0 | 0 | 108.9 | |||||
| 152 | A | 46.4 | Very low | 44.6 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | trans | -66.4 | 154.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 153 | E | 44 | Very low | 46.1 | Very low | 196 Ų | 196 | 128.2 Ų | 128.2 | 92% | 0.916 | 70% | 0.697 | S | S | * | * | trans | 84.9 | 43.8 | -179.2 | -54.3 | 179.7 | 152.3 | 0 | 0 | 116.1 | K155 | E153-K155 VanDerWaalsContact C-N 3.35Å; E153-K155 PolarHBondContact O-N 3.45Å | ||
| 154 | G | 37.6 | Very low | 47 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | trans | -74.2 | 81.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D156 | G154-D156 PolarHBondContact O-N 3.22Š| ||
| 155 | K | 42.3 | Very low | 48.2 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | trans | -57 | 122.1 | 153.7 | -155.3 | 168.8 | -169.1 | 171.8 | 0 | 105.8 | E153 R157 | E153-K155 VanDerWaalsContact C-N 3.35Å; E153-K155 PolarHBondContact O-N 3.45Å; K155-R157 PolarHBondContact O-N 3.38Å | ||
| 156 | D | 44.3 | Very low | 50 | Low | 147 Ų | 147 | 122.5 Ų | 122.5 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | trans | -57.1 | 80.9 | 177.8 | -166.8 | 16.6 | 0 | 0 | 0 | 109.5 | G154 T158 | G154-D156 PolarHBondContact O-N 3.22Å; D156-T158 VanDerWaalsContact C-N 3.35Å; D156-T158 PolarHBondContact O-N 3.46Å | ||
| 157 | R | 49.8 | Very low | 51.7 | Low | 169 Ų | 169 | 125 Ų | 125 | 64% | 0.638 | 64% | 0.641 | S | S | * | * | trans | -77.4 | 95 | 178.9 | -93.2 | -176.9 | 162.1 | 163.4 | -1.6 | 105.7 | K155 D161 | K155-R157 PolarHBondContact O-N 3.38Å; R157-D161 HydrophobicContact CB-CB 4.15Å; R157-D161 HydrophobicContact CG-CB 3.92Å | ||
| 158 | T | 57.5 | Low | 53.7 | Low | 63 Ų | 63 | 121.8 Ų | 121.8 | 39% | 0.387 | 62% | 0.621 | S | S | . | * | trans | -55.4 | 157.1 | 172.9 | 68.6 | 0 | 0 | 0 | 0 | 109.3 | D156 F160 D161 | D156-T158 VanDerWaalsContact C-N 3.35Å; D156-T158 PolarHBondContact O-N 3.46Å; T158-F160 PolarHBondContact O-N 3.05Å; T158-D161 PolarHBondContact N-OD2 3.41Å; T158-D161 PolarHBondContact O-N 3.33Å; T158-D161 PolarHBondContact OG1-OD2 3.09Å | ||
| 159 | V | 56 | Low | 55.6 | Low | 69 Ų | 69 | 115.7 Ų | 115.7 | 42% | 0.418 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -46.7 | -21.3 | 175 | 165.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 160 | F | 54.8 | Low | 57.6 | Low | 184 Ų | 184 | 114 Ų | 114 | 81% | 0.807 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -12.8 | -179.4 | -60.8 | -81.5 | 0 | 0 | 0 | 114.6 | T158 | T158-F160 PolarHBondContact O-N 3.05Š|
| 161 | D | 61 | Low | 59.5 | Low | 85 Ų | 85 | 110.6 Ų | 110.6 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -95.2 | -3.5 | -175.7 | -71.4 | -46.9 | 0 | 0 | 0 | 114.6 | R157 T158 P163 | R157-D161 HydrophobicContact CB-CB 4.15Å; R157-D161 HydrophobicContact CG-CB 3.92Å; T158-D161 PolarHBondContact N-OD2 3.41Å; T158-D161 PolarHBondContact O-N 3.33Å; T158-D161 PolarHBondContact OG1-OD2 3.09Å; D161-P163 VanDerWaalsContact O-CD 3.31Å; D161-P163 WeakPolarHBondContact O-CD 3.36Å |
| 162 | I | 64.9 | Low | 61.8 | Low | 25 Ų | 25 | 105.6 Ų | 105.6 | 13% | 0.128 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -83.6 | 114.7 | 177.2 | -48.9 | 177.2 | 0 | 0 | 0 | 108.6 | I164 E168 F169 H172 | I162-I164 PolarHBondContact O-N 3.45Å; I162-E168 HydrophobicContact CG2-CB 4.09Å; I162-E168 HydrophobicContact CG2-CG 4.1Å; I162-F169 HydrophobicContact CG2-CB 3.72Å; I162-H172 HydrophobicContact CD1-CB 4.15Å |
| 163 | P | 70.8 | Confident | 63.4 | Low | 76 Ų | 76 | 104 Ų | 104 | 49% | 0.494 | 53% | 0.532 | S | S | . | . | trans | -61.7 | 131.1 | -176.3 | -18.8 | 30.6 | 0 | 0 | 0 | 111.1 | D161 F165 T166 F169 | D161-P163 VanDerWaalsContact O-CD 3.31Å; D161-P163 WeakPolarHBondContact O-CD 3.36Å; P163-F165 PolarHBondContact O-N 3.06Å; P163-T166 HydrophobicContact CB-CG2 3.78Å; P163-T166 HydrophobicContact CG-CG2 4.2Å; P163-T166 WeakPolarHBondContact O-CB 3.48Å; P163-T166 WeakPolarHBondContact O-CG2 3.43Å; P163-T166 PolarHBondContact O-N 3.39Å; P163-T166 PolarHBondContact O-OG1 3.08Å; P163-F169 WeakPolarHBondContact O-CB 3.37Å | ||
| 164 | I | 59 | Low | 65.4 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 135.4 | -178.2 | -30.9 | 176.1 | 0 | 0 | 0 | 109 | I162 F169 | I162-I164 PolarHBondContact O-N 3.45Å; I164-F169 HydrophobicContact CG2-CD1 4.48Å; I164-F169 HydrophobicContact CG2-CE1 4.08Å; I164-F169 HydrophobicContact CG2-CZ 4.11Å |
| 165 | F | 64.1 | Low | 67.6 | Low | 130 Ų | 130 | 99.4 Ų | 99.4 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 13.5 | -177.9 | -45.4 | -75.5 | 0 | 0 | 0 | 117 | T76 P163 | T76-F165 HydrophobicContact CG2-CE2 3.6Å; T76-F165 HydrophobicContact CG2-CZ 3.79Å; P163-F165 PolarHBondContact O-N 3.06Å |
| 166 | T | 75.3 | Confident | 69.8 | Low | 45 Ų | 45 | 95.6 Ų | 95.6 | 28% | 0.276 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -77.1 | 156.7 | 164.5 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | P163 E168 F169 L170 | P163-T166 HydrophobicContact CB-CG2 3.78Å; P163-T166 HydrophobicContact CG-CG2 4.2Å; P163-T166 WeakPolarHBondContact O-CB 3.48Å; P163-T166 WeakPolarHBondContact O-CG2 3.43Å; P163-T166 PolarHBondContact O-N 3.39Å; P163-T166 PolarHBondContact O-OG1 3.08Å; T166-E168 PolarHBondContact O-N 3.37Å; T166-F169 PolarHBondContact O-N 3.42Å; T166-F169 WeakPolarHBondContact OG1-CB 3.48Å; T166-F169 PolarHBondContact OG1-N 3.28Å; T166-F169 VanDerWaalsContact OG1-N 3.14Å; T166-L170 WeakPolarHBondContact O-CG 3.43Å; T166-L170 PolarHBondContact O-N 2.87Å |
| 167 | E | 75 | Confident | 71.7 | Confident | 144 Ų | 144 | 93.6 Ų | 93.6 | 67% | 0.673 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.4 | -34.2 | 173 | -175.5 | 164.4 | -164.2 | 0 | 0 | 111.4 | L170 N171 | E167-L170 PolarHBondContact O-N 2.88Å; E167-N171 WeakPolarHBondContact O-CB 3.38Å; E167-N171 PolarHBondContact O-N 2.72Å; E167-N171 PolarHBondContact O-ND2 3.35Å |
| 168 | E | 75.8 | Confident | 73.7 | Confident | 111 Ų | 111 | 88.1 Ų | 88.1 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 174.2 | -164.8 | 173.5 | -165.7 | 0 | 0 | 112.2 | I162 T166 L170 N171 H172 | I162-E168 HydrophobicContact CG2-CB 4.09Å; I162-E168 HydrophobicContact CG2-CG 4.1Å; T166-E168 PolarHBondContact O-N 3.37Å; E168-L170 PolarHBondContact O-N 2.92Å; E168-N171 PolarHBondContact O-N 3.19Å; E168-H172 WeakPolarHBondContact O-CB 3.46Å; E168-H172 PolarHBondContact O-N 3.05Å |
| 169 | F | 81.1 | Confident | 75.4 | Confident | 64 Ų | 64 | 90.8 Ų | 90.8 | 28% | 0.281 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.1 | 178.3 | -96.4 | 0 | 0 | 0 | 112.3 | I162 P163 I164 T166 S173 | I162-F169 HydrophobicContact CG2-CB 3.72Å; P163-F169 WeakPolarHBondContact O-CB 3.37Å; I164-F169 HydrophobicContact CG2-CD1 4.48Å; I164-F169 HydrophobicContact CG2-CE1 4.08Å; I164-F169 HydrophobicContact CG2-CZ 4.11Å; T166-F169 PolarHBondContact O-N 3.42Å; T166-F169 WeakPolarHBondContact OG1-CB 3.48Å; T166-F169 PolarHBondContact OG1-N 3.28Å; T166-F169 VanDerWaalsContact OG1-N 3.14Å; F169-S173 VanDerWaalsContact O-CB 3.25Å; F169-S173 WeakPolarHBondContact O-CB 3.49Å; F169-S173 PolarHBondContact O-N 3.15Å |
| 170 | L | 78.1 | Confident | 77.1 | Confident | 103 Ų | 103 | 91.5 Ų | 91.5 | 54% | 0.539 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 178.9 | -70.4 | 173.9 | 0 | 0 | 0 | 111.8 | T166 E167 E168 K174 | T166-L170 WeakPolarHBondContact O-CG 3.43Å; T166-L170 PolarHBondContact O-N 2.87Å; E167-L170 PolarHBondContact O-N 2.88Å; E168-L170 PolarHBondContact O-N 2.92Å; L170-K174 VanDerWaalsContact O-CB 3.23Å; L170-K174 WeakPolarHBondContact O-CB 3.43Å; L170-K174 PolarHBondContact O-N 3.26Å |
| 171 | N | 79.6 | Confident | 79 | Confident | 89 Ų | 89 | 90.1 Ų | 90.1 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 177.9 | -74.6 | -22.4 | 0 | 0 | 0 | 111.7 | E167 E168 K174 A175 | E167-N171 WeakPolarHBondContact O-CB 3.38Å; E167-N171 PolarHBondContact O-N 2.72Å; E167-N171 PolarHBondContact O-ND2 3.35Å; E168-N171 PolarHBondContact O-N 3.19Å; N171-K174 PolarHBondContact O-N 2.82Å; N171-A175 WeakPolarHBondContact O-CB 3.4Å; N171-A175 PolarHBondContact O-N 2.94Å |
| 172 | H | 79.4 | Confident | 80.6 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 29% | 0.292 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.1 | 173.6 | -107.6 | 0 | 0 | 0 | 112.2 | I162 E168 K174 A175 R176 | I162-H172 HydrophobicContact CD1-CB 4.15Å; E168-H172 WeakPolarHBondContact O-CB 3.46Å; E168-H172 PolarHBondContact O-N 3.05Å; H172-K174 VanDerWaalsContact C-N 3.27Å; H172-K174 PolarHBondContact O-N 3.49Å; H172-A175 PolarHBondContact O-N 3.18Å; H172-R176 PolarHBondContact CE1-NH2 2.79Å; H172-R176 WeakPolarHBondContact O-CB 3.45Å; H172-R176 PolarHBondContact O-N 3.47Å |
| 173 | S | 81.9 | Confident | 82.1 | Confident | 54 Ų | 54 | 94.8 Ų | 94.8 | 38% | 0.378 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 173.8 | -178 | 0 | 0 | 0 | 0 | 111.6 | F169 E177 | F169-S173 VanDerWaalsContact O-CB 3.25Å; F169-S173 WeakPolarHBondContact O-CB 3.49Å; F169-S173 PolarHBondContact O-N 3.15Å; S173-E177 WeakPolarHBondContact O-CB 3.48Å; S173-E177 PolarHBondContact O-N 3.47Å |
| 174 | K | 85.2 | Confident | 83.3 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 177.6 | -176.9 | -174.2 | 174 | -161.8 | 0 | 112.1 | L170 N171 H172 E177 A178 | L170-K174 VanDerWaalsContact O-CB 3.23Å; L170-K174 WeakPolarHBondContact O-CB 3.43Å; L170-K174 PolarHBondContact O-N 3.26Å; N171-K174 PolarHBondContact O-N 2.82Å; H172-K174 VanDerWaalsContact C-N 3.27Å; H172-K174 PolarHBondContact O-N 3.49Å; K174-E177 PolarHBondContact O-N 3.35Å; K174-A178 WeakPolarHBondContact O-CB 3.4Å; K174-A178 PolarHBondContact O-N 2.81Å |
| 175 | A | 84.3 | Confident | 85.1 | Confident | 59 Ų | 59 | 99.7 Ų | 99.7 | 49% | 0.488 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N171 H172 E177 A178 E179 | N171-A175 WeakPolarHBondContact O-CB 3.4Å; N171-A175 PolarHBondContact O-N 2.94Å; H172-A175 PolarHBondContact O-N 3.18Å; A175-E177 PolarHBondContact O-N 2.91Å; A175-A178 WeakPolarHBondContact O-CB 3.35Å; A175-A178 PolarHBondContact O-N 2.83Å; A175-A178 VanDerWaalsContact O-N 3.12Å; A175-E179 PolarHBondContact O-N 3.3Å |
| 176 | R | 87 | Confident | 86.6 | Confident | 108 Ų | 108 | 95.9 Ų | 95.9 | 41% | 0.408 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 174.8 | -173.2 | -174.3 | -66.9 | 177 | -8.9 | 112.4 | H172 A178 E179 M180 | H172-R176 PolarHBondContact CE1-NH2 2.79Å; H172-R176 WeakPolarHBondContact O-CB 3.45Å; H172-R176 PolarHBondContact O-N 3.47Å; R176-A178 VanDerWaalsContact C-N 3.28Å; R176-A178 PolarHBondContact O-N 2.87Å; R176-E179 PolarHBondContact O-N 2.91Å; R176-M180 HydrophobicContact CG-CG 4.5Å; R176-M180 WeakPolarHBondContact O-CB 3.44Å; R176-M180 VanDerWaalsContact O-CG 3.29Å; R176-M180 WeakPolarHBondContact O-CG 3.43Å; R176-M180 PolarHBondContact O-N 3.24Å |
| 177 | E | 85.6 | Confident | 87.5 | Confident | 105 Ų | 105 | 97.9 Ų | 97.9 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.3 | -33.2 | 177 | -160.1 | -166.7 | 149 | 0 | 0 | 112 | S173 K174 A175 R181 | S173-E177 WeakPolarHBondContact O-CB 3.48Å; S173-E177 PolarHBondContact O-N 3.47Å; K174-E177 PolarHBondContact O-N 3.35Å; A175-E177 PolarHBondContact O-N 2.91Å; E177-R181 PolarHBondContact O-N 2.75Å; E177-R181 VanDerWaalsContact O-N 3.1Å; E177-R181 IonicContact OE1-CZ 2.68Å; E177-R181 IonicContact OE1-NH1 3.77Å; E177-R181 PolarHBondContact OE1-NH1 2.73Å; E177-R181 IonicContact OE1-NH2 2.78Å |
| 178 | A | 90.8 | Very high | 88.6 | Confident | 54 Ų | 54 | 95.8 Ų | 95.8 | 45% | 0.446 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.7 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K174 A175 R176 R181 Q182 | K174-A178 WeakPolarHBondContact O-CB 3.4Å; K174-A178 PolarHBondContact O-N 2.81Å; A175-A178 WeakPolarHBondContact O-CB 3.35Å; A175-A178 PolarHBondContact O-N 2.83Å; A175-A178 VanDerWaalsContact O-N 3.12Å; R176-A178 VanDerWaalsContact C-N 3.28Å; R176-A178 PolarHBondContact O-N 2.87Å; A178-R181 WeakPolarHBondContact O-CB 3.28Å; A178-R181 PolarHBondContact O-N 3.48Å; A178-Q182 PolarHBondContact O-N 3.47Å |
| 179 | E | 93.8 | Very high | 89.6 | Confident | 119 Ų | 119 | 93.4 Ų | 93.4 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.7 | -49 | 174.4 | -174.8 | -178.4 | -169.1 | 0 | 0 | 111.3 | A175 R176 R181 Q182 L183 | A175-E179 PolarHBondContact O-N 3.3Å; R176-E179 PolarHBondContact O-N 2.91Å; E179-R181 PolarHBondContact O-N 3.24Å; E179-Q182 WeakPolarHBondContact O-CA 3.43Å; E179-Q182 WeakPolarHBondContact O-CB 3.46Å; E179-Q182 PolarHBondContact O-N 3.47Å; E179-L183 HydrophobicContact CG-CD1 4.24Å; E179-L183 WeakPolarHBondContact O-CG 3.45Å; E179-L183 PolarHBondContact O-N 3.29Å |
| 180 | M | 92.3 | Very high | 90.3 | Very high | 84 Ų | 84 | 96.7 Ų | 96.7 | 41% | 0.414 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.7 | -33.7 | 175.8 | -69.7 | -57 | -63.7 | 0 | 0 | 112.5 | R176 L183 R184 | R176-M180 HydrophobicContact CG-CG 4.5Å; R176-M180 WeakPolarHBondContact O-CB 3.44Å; R176-M180 VanDerWaalsContact O-CG 3.29Å; R176-M180 WeakPolarHBondContact O-CG 3.43Å; R176-M180 PolarHBondContact O-N 3.24Å; M180-L183 HydrophobicContact SD-CD1 4.25Å; M180-R184 WeakPolarHBondContact O-CB 3.35Å; M180-R184 WeakPolarHBondContact O-CD 3.28Å; M180-R184 WeakPolarHBondContact O-CG 3.5Å; M180-R184 PolarHBondContact O-N 2.88Å; M180-R184 VanDerWaalsContact O-N 3.08Å |
| 181 | R | 94 | Very high | 91.3 | Very high | 156 Ų | 156 | 97 Ų | 97 | 59% | 0.589 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.2 | -43.2 | 172 | -97.7 | -168.7 | -177.2 | 85.9 | 2.8 | 112.2 | E177 A178 E179 R184 K185 | E177-R181 PolarHBondContact O-N 2.75Å; E177-R181 VanDerWaalsContact O-N 3.1Å; E177-R181 IonicContact OE1-CZ 2.68Å; E177-R181 IonicContact OE1-NH1 3.77Å; E177-R181 PolarHBondContact OE1-NH1 2.73Å; E177-R181 IonicContact OE1-NH2 2.78Å; A178-R181 WeakPolarHBondContact O-CB 3.28Å; A178-R181 PolarHBondContact O-N 3.48Å; E179-R181 PolarHBondContact O-N 3.24Å; R181-R184 PolarHBondContact O-N 3.01Å; R181-K185 PolarHBondContact O-N 2.98Å |
| 182 | Q | 95.4 | Very high | 92.1 | Very high | 117 Ų | 117 | 98.7 Ų | 98.7 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 177 | -74.2 | -66 | -15.2 | 0 | 0 | 110.8 | A178 E179 R184 K185 T186 | A178-Q182 PolarHBondContact O-N 3.47Å; E179-Q182 WeakPolarHBondContact O-CA 3.43Å; E179-Q182 WeakPolarHBondContact O-CB 3.46Å; E179-Q182 PolarHBondContact O-N 3.47Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 3.07Å; Q182-K185 WeakPolarHBondContact O-CA 3.23Å; Q182-K185 WeakPolarHBondContact O-CB 3.18Å; Q182-K185 PolarHBondContact O-N 3.49Å; Q182-T186 PolarHBondContact O-N 3.04Å; Q182-T186 PolarHBondContact O-OG1 3.47Å |
| 183 | L | 95.4 | Very high | 92.9 | Very high | 90 Ų | 90 | 102.4 Ų | 102.4 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 176.8 | -71.5 | 173.5 | 0 | 0 | 0 | 112.5 | E179 M180 K185 T186 N187 | E179-L183 HydrophobicContact CG-CD1 4.24Å; E179-L183 WeakPolarHBondContact O-CG 3.45Å; E179-L183 PolarHBondContact O-N 3.29Å; M180-L183 HydrophobicContact SD-CD1 4.25Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-K185 PolarHBondContact O-N 2.96Å; L183-T186 WeakPolarHBondContact CA-OG1 3.39Å; L183-T186 PolarHBondContact O-N 3.28Å; L183-T186 PolarHBondContact O-OG1 3.38Å; L183-T186 VanDerWaalsContact O-OG1 3.05Å; L183-N187 WeakPolarHBondContact O-CB 3.27Å; L183-N187 PolarHBondContact O-N 2.99Å |
| 184 | R | 96.3 | Very high | 93.7 | Very high | 175 Ų | 175 | 104.6 Ų | 104.6 | 66% | 0.66 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.8 | -39.6 | 174.6 | -74.2 | 169.8 | -177.4 | 169.7 | 1.9 | 112.2 | M180 R181 Q182 M188 | M180-R184 WeakPolarHBondContact O-CB 3.35Å; M180-R184 WeakPolarHBondContact O-CD 3.28Å; M180-R184 WeakPolarHBondContact O-CG 3.5Å; M180-R184 PolarHBondContact O-N 2.88Å; M180-R184 VanDerWaalsContact O-N 3.08Å; R181-R184 PolarHBondContact O-N 3.01Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 3.07Å; R184-M188 WeakPolarHBondContact O-CB 3.48Å; R184-M188 PolarHBondContact O-N 3.31Å; R184-M188 VanDerWaalsContact O-N 3.07Å |
| 185 | K | 96.4 | Very high | 94.3 | Very high | 107 Ų | 107 | 102 Ų | 102 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.1 | -47.5 | 177.7 | -175.3 | 178.3 | 179.6 | -75.4 | 0 | 111.2 | R181 Q182 L183 M188 E189 | R181-K185 PolarHBondContact O-N 2.98Å; Q182-K185 WeakPolarHBondContact O-CA 3.23Å; Q182-K185 WeakPolarHBondContact O-CB 3.18Å; Q182-K185 PolarHBondContact O-N 3.49Å; L183-K185 VanDerWaalsContact C-N 3.33Å; L183-K185 PolarHBondContact O-N 2.96Å; K185-M188 PolarHBondContact O-N 3.35Å; K185-E189 IonicContact NZ-OE1 2.78Å; K185-E189 PolarHBondContact NZ-OE1 3.38Å; K185-E189 WeakPolarHBondContact O-CG 3.45Å; K185-E189 PolarHBondContact O-N 2.92Å |
| 186 | T | 95.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 102.3 Ų | 102.3 | 31% | 0.307 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | Q182 L183 M188 E189 Y190 | Q182-T186 PolarHBondContact O-N 3.04Å; Q182-T186 PolarHBondContact O-OG1 3.47Å; L183-T186 WeakPolarHBondContact CA-OG1 3.39Å; L183-T186 PolarHBondContact O-N 3.28Å; L183-T186 PolarHBondContact O-OG1 3.38Å; L183-T186 VanDerWaalsContact O-OG1 3.05Å; T186-M188 PolarHBondContact O-N 3.45Å; T186-E189 PolarHBondContact O-N 3.04Å; T186-Y190 WeakPolarHBondContact O-CD2 3.44Å; T186-Y190 PolarHBondContact O-N 2.87Å |
| 187 | N | 96 | Very high | 95.4 | Very high | 87 Ų | 87 | 102.3 Ų | 102.3 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 176.4 | -164.8 | 39.4 | 0 | 0 | 0 | 111.8 | L183 E189 Y190 E191 | L183-N187 WeakPolarHBondContact O-CB 3.27Å; L183-N187 PolarHBondContact O-N 2.99Å; N187-E189 VanDerWaalsContact C-N 3.33Å; N187-E189 PolarHBondContact O-N 2.94Å; N187-Y190 PolarHBondContact O-N 3.42Å; N187-E191 PolarHBondContact ND2-OE1 3.1Å; N187-E191 WeakPolarHBondContact O-CB 3.47Å; N187-E191 WeakPolarHBondContact O-CG 3.42Å; N187-E191 PolarHBondContact O-N 3.31Å |
| 188 | M | 96.6 | Very high | 96 | Very high | 99 Ų | 99 | 102.6 Ų | 102.6 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 173.9 | -172.2 | -179.2 | 74.5 | 0 | 0 | 112 | R184 K185 T186 Y190 E191 E192 | R184-M188 WeakPolarHBondContact O-CB 3.48Å; R184-M188 PolarHBondContact O-N 3.31Å; R184-M188 VanDerWaalsContact O-N 3.07Å; K185-M188 PolarHBondContact O-N 3.35Å; T186-M188 PolarHBondContact O-N 3.45Å; M188-Y190 PolarHBondContact O-N 2.89Å; M188-E191 PolarHBondContact O-N 3.11Å; M188-E192 WeakPolarHBondContact O-CG 3.37Å; M188-E192 PolarHBondContact O-N 3.49Å |
| 189 | E | 96.3 | Very high | 96.3 | Very high | 61 Ų | 61 | 107.4 Ų | 107.4 | 29% | 0.285 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.1 | -70.7 | 171.6 | -163.9 | 0 | 0 | 112.3 | K185 T186 N187 R193 | K185-E189 IonicContact NZ-OE1 2.78Å; K185-E189 PolarHBondContact NZ-OE1 3.38Å; K185-E189 WeakPolarHBondContact O-CG 3.45Å; K185-E189 PolarHBondContact O-N 2.92Å; T186-E189 PolarHBondContact O-N 3.04Å; N187-E189 VanDerWaalsContact C-N 3.33Å; N187-E189 PolarHBondContact O-N 2.94Å; E189-R193 WeakPolarHBondContact O-CG 3.14Å; E189-R193 PolarHBondContact O-N 3.13Å |
| 190 | Y | 97.6 | Very high | 96.6 | Very high | 133 Ų | 133 | 107.1 Ų | 107.1 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 174.4 | -78.3 | -62.8 | 0 | 0 | 0 | 112.4 | T186 N187 M188 E192 R193 N194 | T186-Y190 WeakPolarHBondContact O-CD2 3.44Å; T186-Y190 PolarHBondContact O-N 2.87Å; N187-Y190 PolarHBondContact O-N 3.42Å; M188-Y190 PolarHBondContact O-N 2.89Å; Y190-E192 VanDerWaalsContact C-N 3.34Å; Y190-E192 PolarHBondContact O-N 2.96Å; Y190-R193 PolarHBondContact O-N 2.87Å; Y190-N194 WeakPolarHBondContact O-CB 3.38Å; Y190-N194 VanDerWaalsContact O-CG 3.26Å; Y190-N194 PolarHBondContact O-N 3.32Å |
| 191 | E | 97.3 | Very high | 96.8 | Very high | 111 Ų | 111 | 107 Ų | 107 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.1 | -74.4 | 168.8 | -171.4 | 0 | 0 | 111.1 | N187 M188 N194 A195 | N187-E191 PolarHBondContact ND2-OE1 3.1Å; N187-E191 WeakPolarHBondContact O-CB 3.47Å; N187-E191 WeakPolarHBondContact O-CG 3.42Å; N187-E191 PolarHBondContact O-N 3.31Å; M188-E191 PolarHBondContact O-N 3.11Å; E191-N194 PolarHBondContact O-N 2.62Å; E191-A195 WeakPolarHBondContact O-CB 3.38Å; E191-A195 PolarHBondContact O-N 2.73Å |
| 192 | E | 97.2 | Very high | 97 | Very high | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 175.1 | -74.7 | 177.4 | -179.3 | 0 | 0 | 112.5 | M188 Y190 A195 A196 | M188-E192 WeakPolarHBondContact O-CG 3.37Å; M188-E192 PolarHBondContact O-N 3.49Å; Y190-E192 VanDerWaalsContact C-N 3.34Å; Y190-E192 PolarHBondContact O-N 2.96Å; E192-A195 PolarHBondContact O-N 3.36Å; E192-A196 PolarHBondContact O-N 3.08Å |
| 193 | R | 97 | Very high | 97.2 | Very high | 142 Ų | 142 | 103.2 Ų | 103.2 | 54% | 0.536 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.8 | -72.5 | 175.7 | -168.3 | 167.1 | 7.7 | 111.8 | E189 Y190 A195 A196 L197 | E189-R193 WeakPolarHBondContact O-CG 3.14Å; E189-R193 PolarHBondContact O-N 3.13Å; Y190-R193 PolarHBondContact O-N 2.87Å; R193-A195 VanDerWaalsContact C-N 3.34Å; R193-A196 PolarHBondContact O-N 3.48Å; R193-L197 WeakPolarHBondContact O-CG 3.32Å; R193-L197 PolarHBondContact O-N 2.99Å |
| 194 | N | 97.3 | Very high | 97.3 | Very high | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -41 | 177.8 | -75.3 | -8.1 | 0 | 0 | 0 | 111.2 | Y190 E191 A196 L197 Q198 | Y190-N194 WeakPolarHBondContact O-CB 3.38Å; Y190-N194 VanDerWaalsContact O-CG 3.26Å; Y190-N194 PolarHBondContact O-N 3.32Å; E191-N194 PolarHBondContact O-N 2.62Å; N194-A196 VanDerWaalsContact C-N 3.34Å; N194-A196 PolarHBondContact O-N 2.79Å; N194-L197 PolarHBondContact O-N 3.22Å; N194-Q198 WeakPolarHBondContact O-CB 3.33Å; N194-Q198 PolarHBondContact O-N 3.4Å |
| 195 | A | 97.9 | Very high | 97.4 | Very high | 63 Ų | 63 | 103.6 Ų | 103.6 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E191 E192 R193 Q198 K199 | E191-A195 WeakPolarHBondContact O-CB 3.38Å; E191-A195 PolarHBondContact O-N 2.73Å; E192-A195 PolarHBondContact O-N 3.36Å; R193-A195 VanDerWaalsContact C-N 3.34Å; A195-Q198 PolarHBondContact O-N 3.33Å; A195-K199 PolarHBondContact O-N 3.41Å; A195-K199 VanDerWaalsContact O-N 3.09Å |
| 196 | A | 97.6 | Very high | 97.5 | Very high | 65 Ų | 65 | 99.4 Ų | 99.4 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E192 R193 N194 K199 H200 | E192-A196 PolarHBondContact O-N 3.08Å; R193-A196 PolarHBondContact O-N 3.48Å; N194-A196 VanDerWaalsContact C-N 3.34Å; N194-A196 PolarHBondContact O-N 2.79Å; A196-K199 PolarHBondContact O-N 2.91Å; A196-H200 PolarHBondContact O-N 2.82Å; A196-H200 VanDerWaalsContact O-N 3.08Å |
| 197 | L | 98 | Very high | 97.7 | Very high | 108 Ų | 108 | 98.7 Ų | 98.7 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -44.3 | 175.5 | -75.6 | 170.9 | 0 | 0 | 0 | 111.6 | R193 N194 K199 H200 V201 | R193-L197 WeakPolarHBondContact O-CG 3.32Å; R193-L197 PolarHBondContact O-N 2.99Å; N194-L197 PolarHBondContact O-N 3.22Å; L197-K199 VanDerWaalsContact C-N 3.31Å; L197-K199 PolarHBondContact O-N 3.5Å; L197-H200 WeakPolarHBondContact O-CB 3.49Å; L197-H200 PolarHBondContact O-N 3.49Å; L197-V201 WeakPolarHBondContact O-CG2 3.45Å; L197-V201 PolarHBondContact O-N 3.42Å |
| 198 | Q | 97.7 | Very high | 97.8 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 177.8 | -172.4 | 64.9 | 15 | 0 | 0 | 111.3 | N194 A195 H200 V201 E202 | N194-Q198 WeakPolarHBondContact O-CB 3.33Å; N194-Q198 PolarHBondContact O-N 3.4Å; A195-Q198 PolarHBondContact O-N 3.33Å; Q198-H200 VanDerWaalsContact C-N 3.3Å; Q198-H200 PolarHBondContact O-N 2.89Å; Q198-V201 PolarHBondContact O-N 3.34Å; Q198-E202 WeakPolarHBondContact O-CG 3.48Å; Q198-E202 PolarHBondContact O-N 2.98Å |
| 199 | K | 98.1 | Very high | 97.9 | Very high | 155 Ų | 155 | 98 Ų | 98 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -37.7 | 175.2 | -173.4 | 179.5 | 179.8 | -178.9 | 0 | 112.5 | A195 A196 L197 S203 | A195-K199 PolarHBondContact O-N 3.41Å; A195-K199 VanDerWaalsContact O-N 3.09Å; A196-K199 PolarHBondContact O-N 2.91Å; L197-K199 VanDerWaalsContact C-N 3.31Å; L197-K199 PolarHBondContact O-N 3.5Å; K199-S203 WeakPolarHBondContact O-CB 3.43Å; K199-S203 PolarHBondContact O-N 2.48Å |
| 200 | H | 98.4 | Very high | 98 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 176.8 | -173.2 | 62.9 | 0 | 0 | 0 | 111.7 | A196 L197 Q198 E202 S203 M204 | A196-H200 PolarHBondContact O-N 2.82Å; A196-H200 VanDerWaalsContact O-N 3.08Å; L197-H200 WeakPolarHBondContact O-CB 3.49Å; L197-H200 PolarHBondContact O-N 3.49Å; Q198-H200 VanDerWaalsContact C-N 3.3Å; Q198-H200 PolarHBondContact O-N 2.89Å; H200-E202 VanDerWaalsContact C-N 3.35Å; H200-E202 PolarHBondContact O-N 3.31Å; H200-S203 WeakPolarHBondContact O-CB 3.42Å; H200-S203 PolarHBondContact O-N 2.62Å; H200-M204 PolarHBondContact NE2-SD 2.77Å; H200-M204 VanDerWaalsContact NE2-SD 3.42Å; H200-M204 WeakPolarHBondContact O-CG 3.36Å; H200-M204 PolarHBondContact O-N 2.88Å |
| 201 | V | 98.3 | Very high | 98 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L197 Q198 S203 M204 R205 | L197-V201 WeakPolarHBondContact O-CG2 3.45Å; L197-V201 PolarHBondContact O-N 3.42Å; Q198-V201 PolarHBondContact O-N 3.34Å; V201-S203 VanDerWaalsContact C-N 3.35Å; V201-S203 PolarHBondContact O-N 3.21Å; V201-M204 PolarHBondContact O-N 3.06Å; V201-R205 WeakPolarHBondContact O-CB 3.46Å; V201-R205 PolarHBondContact O-N 2.94Å |
| 202 | E | 98.1 | Very high | 98 | Very high | 114 Ų | 114 | 101.6 Ų | 101.6 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 176.4 | -73.1 | 168.3 | -171.4 | 0 | 0 | 111.9 | Q198 H200 M204 R205 G206 | Q198-E202 WeakPolarHBondContact O-CG 3.48Å; Q198-E202 PolarHBondContact O-N 2.98Å; H200-E202 VanDerWaalsContact C-N 3.35Å; H200-E202 PolarHBondContact O-N 3.31Å; E202-M204 PolarHBondContact O-N 3.43Å; E202-R205 PolarHBondContact O-N 3.48Å; E202-G206 PolarHBondContact O-N 3.36Å |
| 203 | S | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 97.5 Ų | 97.5 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | K199 H200 V201 A207 | K199-S203 WeakPolarHBondContact O-CB 3.43Å; K199-S203 PolarHBondContact O-N 2.48Å; H200-S203 WeakPolarHBondContact O-CB 3.42Å; H200-S203 PolarHBondContact O-N 2.62Å; V201-S203 VanDerWaalsContact C-N 3.35Å; V201-S203 PolarHBondContact O-N 3.21Å; S203-A207 PolarHBondContact O-N 3.46Å; S203-A207 VanDerWaalsContact O-N 3.12Å |
| 204 | M | 98.5 | Very high | 98.2 | Very high | 104 Ų | 104 | 95 Ų | 95 | 51% | 0.512 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 177.3 | -76.1 | -175.9 | 63.1 | 0 | 0 | 111.2 | H200 V201 E202 G206 A207 V208 | H200-M204 PolarHBondContact NE2-SD 2.77Å; H200-M204 VanDerWaalsContact NE2-SD 3.42Å; H200-M204 WeakPolarHBondContact O-CG 3.36Å; H200-M204 PolarHBondContact O-N 2.88Å; V201-M204 PolarHBondContact O-N 3.06Å; E202-M204 PolarHBondContact O-N 3.43Å; M204-G206 VanDerWaalsContact C-N 3.33Å; M204-G206 PolarHBondContact O-N 3.36Å; M204-A207 WeakPolarHBondContact O-CA 3.48Å; M204-A207 WeakPolarHBondContact O-CB 3.25Å; M204-A207 PolarHBondContact O-N 3.18Å; M204-V208 WeakPolarHBondContact O-CG2 3.29Å; M204-V208 PolarHBondContact O-N 2.9Å |
| 205 | R | 98.3 | Very high | 98.2 | Very high | 169 Ų | 169 | 93.7 Ų | 93.7 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.6 | -47.4 | 176.9 | -178 | -179.5 | 172 | 165 | 5 | 111.3 | V201 E202 A207 V208 E209 | V201-R205 WeakPolarHBondContact O-CB 3.46Å; V201-R205 PolarHBondContact O-N 2.94Å; E202-R205 PolarHBondContact O-N 3.48Å; R205-A207 PolarHBondContact O-N 3.48Å; R205-V208 PolarHBondContact O-N 3.06Å; R205-V208 VanDerWaalsContact O-N 3.15Å; R205-E209 IonicContact CZ-OE1 3.32Å; R205-E209 IonicContact NE-OE1 3.48Å; R205-E209 PolarHBondContact NE-OE1 3.48Å; R205-E209 IonicContact NH2-OE1 2.73Å; R205-E209 WeakPolarHBondContact O-CG 3.37Å; R205-E209 PolarHBondContact O-N 3.41Å |
| 206 | G | 98.4 | Very high | 98.2 | Very high | 19 Ų | 19 | 97.1 Ų | 97.1 | 20% | 0.196 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -63.5 | -28.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | E202 M204 R210 | E202-G206 PolarHBondContact O-N 3.36Å; M204-G206 VanDerWaalsContact C-N 3.33Å; M204-G206 PolarHBondContact O-N 3.36Å; G206-R210 WeakPolarHBondContact O-CG 3.2Å; G206-R210 PolarHBondContact O-N 3.49Å; G206-R210 PolarHBondContact O-NH1 3.24Å |
| 207 | A | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 99.9 Ų | 99.9 | 28% | 0.281 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.4 | -39.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S203 M204 R205 R210 L211 | S203-A207 PolarHBondContact O-N 3.46Å; S203-A207 VanDerWaalsContact O-N 3.12Å; M204-A207 WeakPolarHBondContact O-CA 3.48Å; M204-A207 WeakPolarHBondContact O-CB 3.25Å; M204-A207 PolarHBondContact O-N 3.18Å; R205-A207 PolarHBondContact O-N 3.48Å; A207-R210 PolarHBondContact O-N 2.85Å; A207-L211 WeakPolarHBondContact O-CG 3.45Å; A207-L211 PolarHBondContact O-N 3.18Å |
| 208 | V | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 98.6 Ų | 98.6 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 174.3 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | M204 R205 R210 L211 E212 | M204-V208 WeakPolarHBondContact O-CG2 3.29Å; M204-V208 PolarHBondContact O-N 2.9Å; R205-V208 PolarHBondContact O-N 3.06Å; R205-V208 VanDerWaalsContact O-N 3.15Å; V208-R210 VanDerWaalsContact C-N 3.26Å; V208-R210 PolarHBondContact O-N 3.13Å; V208-L211 PolarHBondContact O-N 2.84Å; V208-L211 VanDerWaalsContact O-N 3.09Å; V208-E212 HydrophobicContact CG1-CG 4.15Å; V208-E212 WeakPolarHBondContact O-CB 3.21Å; V208-E212 WeakPolarHBondContact O-CG 3.34Å; V208-E212 PolarHBondContact O-N 3.22Å |
| 209 | E | 98.4 | Very high | 98.2 | Very high | 100 Ų | 100 | 102 Ų | 102 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 179.4 | -73.1 | 171.3 | -172.6 | 0 | 0 | 112.1 | R205 G213 | R205-E209 IonicContact CZ-OE1 3.32Å; R205-E209 IonicContact NE-OE1 3.48Å; R205-E209 PolarHBondContact NE-OE1 3.48Å; R205-E209 IonicContact NH2-OE1 2.73Å; R205-E209 WeakPolarHBondContact O-CG 3.37Å; R205-E209 PolarHBondContact O-N 3.41Å; E209-G213 PolarHBondContact O-N 3.24Å; E209-G213 VanDerWaalsContact O-N 3.09Å |
| 210 | R | 98.2 | Very high | 98.2 | Very high | 156 Ų | 156 | 101.2 Ų | 101.2 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.1 | -47.9 | 173.6 | -74.2 | -170.6 | -60.4 | -85.3 | 2.5 | 112.5 | G206 A207 V208 E212 G213 D214 | G206-R210 WeakPolarHBondContact O-CG 3.2Å; G206-R210 PolarHBondContact O-N 3.49Å; G206-R210 PolarHBondContact O-NH1 3.24Å; A207-R210 PolarHBondContact O-N 2.85Å; V208-R210 VanDerWaalsContact C-N 3.26Å; V208-R210 PolarHBondContact O-N 3.13Å; R210-E212 VanDerWaalsContact C-N 3.3Å; R210-E212 PolarHBondContact O-N 3.42Å; R210-G213 PolarHBondContact O-N 2.98Å; R210-G213 VanDerWaalsContact O-N 3.15Å; R210-D214 PolarHBondContact O-N 3.22Å |
| 211 | L | 98.4 | Very high | 98.2 | Very high | 110 Ų | 110 | 101.4 Ų | 101.4 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 178.7 | -74.6 | 171.9 | 0 | 0 | 0 | 112 | A207 V208 G213 D214 V215 | A207-L211 WeakPolarHBondContact O-CG 3.45Å; A207-L211 PolarHBondContact O-N 3.18Å; V208-L211 PolarHBondContact O-N 2.84Å; V208-L211 VanDerWaalsContact O-N 3.09Å; L211-G213 VanDerWaalsContact C-N 3.34Å; L211-D214 PolarHBondContact O-N 3.42Å; L211-V215 WeakPolarHBondContact O-CB 3.07Å; L211-V215 VanDerWaalsContact O-CG2 3.24Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.42Å |
| 212 | E | 98.3 | Very high | 98.2 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174 | -73.7 | 177.9 | 163.2 | 0 | 0 | 111.2 | V208 R210 V215 M216 | V208-E212 HydrophobicContact CG1-CG 4.15Å; V208-E212 WeakPolarHBondContact O-CB 3.21Å; V208-E212 WeakPolarHBondContact O-CG 3.34Å; V208-E212 PolarHBondContact O-N 3.22Å; R210-E212 VanDerWaalsContact C-N 3.3Å; R210-E212 PolarHBondContact O-N 3.42Å; E212-V215 PolarHBondContact O-N 3.32Å; E212-M216 WeakPolarHBondContact O-CG 3.35Å; E212-M216 PolarHBondContact O-N 2.95Å |
| 213 | G | 98.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 96.8 Ų | 96.8 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.1 | -49 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E209 R210 L211 V215 M216 Q217 | E209-G213 PolarHBondContact O-N 3.24Å; E209-G213 VanDerWaalsContact O-N 3.09Å; R210-G213 PolarHBondContact O-N 2.98Å; R210-G213 VanDerWaalsContact O-N 3.15Å; L211-G213 VanDerWaalsContact C-N 3.34Å; G213-V215 VanDerWaalsContact C-N 3.34Å; G213-V215 PolarHBondContact O-N 3.25Å; G213-M216 PolarHBondContact O-N 3.46Å; G213-Q217 PolarHBondContact O-N 2.98Å |
| 214 | D | 98.1 | Very high | 98.2 | Very high | 90 Ų | 90 | 97.1 Ų | 97.1 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 178.3 | -65.3 | -17 | 0 | 0 | 0 | 111.5 | R210 L211 M216 Q217 E218 | R210-D214 PolarHBondContact O-N 3.22Å; L211-D214 PolarHBondContact O-N 3.42Å; D214-M216 PolarHBondContact O-N 2.93Å; D214-Q217 PolarHBondContact O-N 2.98Å; D214-E218 PolarHBondContact O-N 3.48Å |
| 215 | V | 98.4 | Very high | 98.1 | Very high | 71 Ų | 71 | 96.3 Ų | 96.3 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.3 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | L211 E212 G213 R219 | L211-V215 WeakPolarHBondContact O-CB 3.07Å; L211-V215 VanDerWaalsContact O-CG2 3.24Å; L211-V215 WeakPolarHBondContact O-CG2 3.47Å; L211-V215 PolarHBondContact O-N 3.42Å; E212-V215 PolarHBondContact O-N 3.32Å; G213-V215 VanDerWaalsContact C-N 3.34Å; G213-V215 PolarHBondContact O-N 3.25Å; V215-R219 WeakPolarHBondContact O-CB 3.42Å; V215-R219 VanDerWaalsContact O-CG 3.26Å; V215-R219 WeakPolarHBondContact O-CG 3.33Å; V215-R219 PolarHBondContact O-N 3.34Å |
| 216 | M | 98.1 | Very high | 98.1 | Very high | 135 Ų | 135 | 94.4 Ų | 94.4 | 67% | 0.665 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.2 | -44.9 | 175.8 | -76 | -175.6 | 64.9 | 0 | 0 | 111.5 | E212 G213 D214 R219 E220 | E212-M216 WeakPolarHBondContact O-CG 3.35Å; E212-M216 PolarHBondContact O-N 2.95Å; G213-M216 PolarHBondContact O-N 3.46Å; D214-M216 PolarHBondContact O-N 2.93Å; M216-R219 WeakPolarHBondContact O-CB 3.43Å; M216-R219 PolarHBondContact O-N 3.22Å; M216-E220 PolarHBondContact O-N 3.07Å |
| 217 | Q | 98.1 | Very high | 98 | Very high | 123 Ų | 123 | 99.5 Ų | 99.5 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -45 | 178.3 | -173.3 | 176.9 | 36.5 | 0 | 0 | 111.8 | G213 D214 R219 E220 R221 | G213-Q217 PolarHBondContact O-N 2.98Å; D214-Q217 PolarHBondContact O-N 2.98Å; Q217-R219 VanDerWaalsContact C-N 3.32Å; Q217-R219 PolarHBondContact O-N 3.4Å; Q217-E220 PolarHBondContact O-N 2.66Å; Q217-R221 WeakPolarHBondContact O-CB 3.22Å; Q217-R221 PolarHBondContact O-N 3.03Å |
| 218 | E | 97.6 | Very high | 97.9 | Very high | 82 Ų | 82 | 103.8 Ų | 103.8 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -32.9 | 176.8 | -79.1 | -58.2 | 128.4 | 0 | 0 | 112.5 | D214 R221 N222 | D214-E218 PolarHBondContact O-N 3.48Å; E218-R221 IonicContact OE1-NE 3.71Å; E218-R221 PolarHBondContact OE1-NE 2.97Å; E218-R221 IonicContact OE2-CZ 2.66Å; E218-R221 IonicContact OE2-NE 3.18Å; E218-R221 PolarHBondContact OE2-NE 3.3Å; E218-R221 IonicContact OE2-NH2 2.62Å; E218-R221 PolarHBondContact OE2-NH2 3.05Å; E218-N222 WeakPolarHBondContact O-CB 3.44Å; E218-N222 PolarHBondContact O-N 2.97Å; E218-N222 PolarHBondContact O-ND2 3.05Å |
| 219 | R | 98.1 | Very high | 97.8 | Very high | 182 Ų | 182 | 104.3 Ų | 104.3 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 172.6 | -78.2 | 175.4 | -178.9 | -169.1 | 2.4 | 111.7 | V215 M216 Q217 N222 G223 | V215-R219 WeakPolarHBondContact O-CB 3.42Å; V215-R219 VanDerWaalsContact O-CG 3.26Å; V215-R219 WeakPolarHBondContact O-CG 3.33Å; V215-R219 PolarHBondContact O-N 3.34Å; M216-R219 WeakPolarHBondContact O-CB 3.43Å; M216-R219 PolarHBondContact O-N 3.22Å; Q217-R219 VanDerWaalsContact C-N 3.32Å; Q217-R219 PolarHBondContact O-N 3.4Å; R219-N222 PolarHBondContact O-N 3.08Å; R219-G223 PolarHBondContact O-N 3.25Å |
| 220 | E | 97.9 | Very high | 97.7 | Very high | 137 Ų | 137 | 103.9 Ų | 103.9 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 176.1 | -174.6 | 175.3 | -160.5 | 0 | 0 | 111.1 | M216 Q217 N222 G223 L224 | M216-E220 PolarHBondContact O-N 3.07Å; Q217-E220 PolarHBondContact O-N 2.66Å; E220-N222 PolarHBondContact O-N 3.35Å; E220-G223 WeakPolarHBondContact O-CA 3.33Å; E220-G223 PolarHBondContact O-N 3.36Å; E220-G223 VanDerWaalsContact O-N 3.09Å; E220-L224 PolarHBondContact O-N 3.5Å |
| 221 | R | 97.7 | Very high | 97.6 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 176.5 | -166.7 | -177.5 | 74.1 | 76.9 | 6.3 | 112.1 | Q217 E218 G223 L224 L225 | Q217-R221 WeakPolarHBondContact O-CB 3.22Å; Q217-R221 PolarHBondContact O-N 3.03Å; E218-R221 IonicContact OE1-NE 3.71Å; E218-R221 PolarHBondContact OE1-NE 2.97Å; E218-R221 IonicContact OE2-CZ 2.66Å; E218-R221 IonicContact OE2-NE 3.18Å; E218-R221 PolarHBondContact OE2-NE 3.3Å; E218-R221 IonicContact OE2-NH2 2.62Å; E218-R221 PolarHBondContact OE2-NH2 3.05Å; R221-G223 VanDerWaalsContact C-N 3.34Å; R221-L224 PolarHBondContact O-N 2.85Å; R221-L225 WeakPolarHBondContact O-CG 3.25Å; R221-L225 PolarHBondContact O-N 2.93Å |
| 222 | N | 97.9 | Very high | 97.4 | Very high | 69 Ų | 69 | 100.8 Ų | 100.8 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 174.7 | -79.1 | -52.3 | 0 | 0 | 0 | 111.7 | E218 R219 E220 L224 L225 H226 | E218-N222 WeakPolarHBondContact O-CB 3.44Å; E218-N222 PolarHBondContact O-N 2.97Å; E218-N222 PolarHBondContact O-ND2 3.05Å; R219-N222 PolarHBondContact O-N 3.08Å; E220-N222 PolarHBondContact O-N 3.35Å; N222-L224 PolarHBondContact O-N 2.97Å; N222-L225 PolarHBondContact O-N 3.38Å; N222-H226 WeakPolarHBondContact O-CB 3.11Å; N222-H226 PolarHBondContact O-CD2 2.87Å; N222-H226 PolarHBondContact O-N 3.42Å |
| 223 | G | 98.2 | Very high | 97.2 | Very high | 31 Ų | 31 | 97.3 Ų | 97.3 | 32% | 0.32 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R219 E220 R221 H226 Q227 | R219-G223 PolarHBondContact O-N 3.25Å; E220-G223 WeakPolarHBondContact O-CA 3.33Å; E220-G223 PolarHBondContact O-N 3.36Å; E220-G223 VanDerWaalsContact O-N 3.09Å; R221-G223 VanDerWaalsContact C-N 3.34Å; G223-H226 PolarHBondContact O-N 3.38Å; G223-Q227 WeakPolarHBondContact O-CG 3.34Å; G223-Q227 PolarHBondContact O-N 3.02Å |
| 224 | L | 97.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 101.6 Ų | 101.6 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.3 | -69.6 | 172.8 | 0 | 0 | 0 | 111.9 | E220 R221 N222 H226 Q227 H228 | E220-L224 PolarHBondContact O-N 3.5Å; R221-L224 PolarHBondContact O-N 2.85Å; N222-L224 PolarHBondContact O-N 2.97Å; L224-H226 VanDerWaalsContact C-N 3.32Å; L224-H226 PolarHBondContact O-N 2.94Å; L224-Q227 PolarHBondContact O-N 3.27Å; L224-H228 PolarHBondContact O-CD2 2.99Å; L224-H228 PolarHBondContact O-N 3.06Å |
| 225 | L | 97.5 | Very high | 96.9 | Very high | 87 Ų | 87 | 99 Ų | 99 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 176.3 | -74.3 | 174.3 | 0 | 0 | 0 | 112.3 | R221 N222 H228 L229 | R221-L225 WeakPolarHBondContact O-CG 3.25Å; R221-L225 PolarHBondContact O-N 2.93Å; N222-L225 PolarHBondContact O-N 3.38Å; L225-H228 PolarHBondContact O-N 2.91Å; L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 PolarHBondContact O-N 3.07Å |
| 226 | H | 97.3 | Very high | 96.7 | Very high | 128 Ų | 128 | 97.8 Ų | 97.8 | 59% | 0.593 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 173.8 | -81.8 | -63.2 | 0 | 0 | 0 | 111.8 | N222 G223 L224 L229 E230 | N222-H226 WeakPolarHBondContact O-CB 3.11Å; N222-H226 PolarHBondContact O-CD2 2.87Å; N222-H226 PolarHBondContact O-N 3.42Å; G223-H226 PolarHBondContact O-N 3.38Å; L224-H226 VanDerWaalsContact C-N 3.32Å; L224-H226 PolarHBondContact O-N 2.94Å; H226-L229 PolarHBondContact O-N 3.48Å; H226-E230 WeakPolarHBondContact O-CB 3.06Å; H226-E230 PolarHBondContact O-N 3.34Å |
| 227 | Q | 97.6 | Very high | 96.5 | Very high | 126 Ų | 126 | 92.4 Ų | 92.4 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 175.1 | -72.8 | 176.7 | -2 | 0 | 0 | 112.5 | G223 L224 E230 T231 | G223-Q227 WeakPolarHBondContact O-CG 3.34Å; G223-Q227 PolarHBondContact O-N 3.02Å; L224-Q227 PolarHBondContact O-N 3.27Å; Q227-E230 WeakPolarHBondContact O-CB 3.46Å; Q227-E230 PolarHBondContact O-N 3.39Å; Q227-T231 WeakPolarHBondContact O-CB 3.39Å; Q227-T231 PolarHBondContact O-N 3.24Å; Q227-T231 PolarHBondContact O-OG1 3.49Å |
| 228 | H | 96.5 | Very high | 96.3 | Very high | 124 Ų | 124 | 90.5 Ų | 90.5 | 57% | 0.574 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 173.9 | -83.7 | -70.3 | 0 | 0 | 0 | 111.6 | L224 L225 T231 L232 | L224-H228 PolarHBondContact O-CD2 2.99Å; L224-H228 PolarHBondContact O-N 3.06Å; L225-H228 PolarHBondContact O-N 2.91Å; H228-T231 PolarHBondContact O-N 3.42Å; H228-L232 WeakPolarHBondContact O-CG 3.48Å; H228-L232 PolarHBondContact O-N 2.89Å |
| 229 | L | 95.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 88.4 Ų | 88.4 | 44% | 0.44 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.2 | -168.8 | 157 | 0 | 0 | 0 | 110.8 | L225 H226 T231 L232 R233 | L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 PolarHBondContact O-N 3.07Å; H226-L229 PolarHBondContact O-N 3.48Å; L229-T231 VanDerWaalsContact C-N 3.34Å; L229-T231 PolarHBondContact O-N 3.16Å; L229-L232 PolarHBondContact O-N 2.81Å; L229-R233 HydrophobicContact CD2-CG 3.86Å; L229-R233 WeakPolarHBondContact O-CG 3.33Å; L229-R233 PolarHBondContact O-N 2.99Å |
| 230 | E | 96.1 | Very high | 95.9 | Very high | 91 Ų | 91 | 79.8 Ų | 79.8 | 43% | 0.425 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57 | -46.9 | 175.8 | -170.7 | 69.8 | -168.1 | 0 | 0 | 111.9 | H226 Q227 L232 R233 Q234 F254 | H226-E230 WeakPolarHBondContact O-CB 3.06Å; H226-E230 PolarHBondContact O-N 3.34Å; Q227-E230 WeakPolarHBondContact O-CB 3.46Å; Q227-E230 PolarHBondContact O-N 3.39Å; E230-L232 VanDerWaalsContact C-N 3.35Å; E230-L232 PolarHBondContact O-N 3.42Å; E230-R233 WeakPolarHBondContact O-CB 3.33Å; E230-R233 PolarHBondContact O-N 3.34Å; E230-Q234 WeakPolarHBondContact O-CB 3.47Å; E230-Q234 PolarHBondContact O-N 3.1Å; E230-F254 HydrophobicContact CG-CZ 4.31Å; E230-F254 WeakPolarHBondContact OE1-CE1 3.25Å; E230-F254 WeakPolarHBondContact OE1-CE2 3.37Å; E230-F254 WeakPolarHBondContact OE1-CZ 3.41Å; E230-F254 WeakPolarHBondContact OE2-CZ 2.93Å |
| 231 | T | 95.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 76.1 Ų | 76.1 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 178.4 | -55.5 | 0 | 0 | 0 | 0 | 111 | Q227 H228 L229 Q234 A235 | Q227-T231 WeakPolarHBondContact O-CB 3.39Å; Q227-T231 PolarHBondContact O-N 3.24Å; Q227-T231 PolarHBondContact O-OG1 3.49Å; H228-T231 PolarHBondContact O-N 3.42Å; L229-T231 VanDerWaalsContact C-N 3.34Å; L229-T231 PolarHBondContact O-N 3.16Å; T231-Q234 PolarHBondContact O-N 3.45Å; T231-A235 WeakPolarHBondContact O-CB 3.22Å; T231-A235 PolarHBondContact O-N 3.3Å |
| 232 | L | 94.1 | Very high | 95.4 | Very high | 113 Ų | 113 | 76 Ų | 76 | 59% | 0.592 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.1 | -44.4 | 176.5 | -74.3 | 171.2 | 0 | 0 | 0 | 111.9 | H228 L229 E230 Q234 A235 L236 | H228-L232 WeakPolarHBondContact O-CG 3.48Å; H228-L232 PolarHBondContact O-N 2.89Å; L229-L232 PolarHBondContact O-N 2.81Å; E230-L232 VanDerWaalsContact C-N 3.35Å; E230-L232 PolarHBondContact O-N 3.42Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.42Å; L232-A235 PolarHBondContact O-N 3.46Å; L232-L236 WeakPolarHBondContact O-CB 3.39Å; L232-L236 VanDerWaalsContact O-CG 3.26Å; L232-L236 WeakPolarHBondContact O-CG 3.44Å; L232-L236 PolarHBondContact O-N 3.1Å |
| 233 | R | 95.4 | Very high | 95.1 | Very high | 41 Ų | 41 | 73 Ų | 73 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.5 | -48.6 | 175 | -73.5 | 180 | 102.3 | 91.1 | 0.6 | 110.6 | L229 E230 A235 L236 T237 F254 I257 D258 | L229-R233 HydrophobicContact CD2-CG 3.86Å; L229-R233 WeakPolarHBondContact O-CG 3.33Å; L229-R233 PolarHBondContact O-N 2.99Å; E230-R233 WeakPolarHBondContact O-CB 3.33Å; E230-R233 PolarHBondContact O-N 3.34Å; R233-A235 PolarHBondContact O-N 2.83Å; R233-L236 PolarHBondContact O-N 3.41Å; R233-T237 WeakPolarHBondContact O-CB 3.43Å; R233-T237 PolarHBondContact O-N 3.32Å; R233-T237 PolarHBondContact O-OG1 2.78Å; R233-F254 HydrophobicContact CB-CD2 4.43Å; R233-F254 HydrophobicContact CB-CE2 3.65Å; R233-F254 HydrophobicContact CB-CZ 3.98Å; R233-F254 PolarHBondContact NE-O 3.44Å; R233-I257 HydrophobicContact CB-CG2 4.01Å; R233-I257 HydrophobicContact CG-CG2 3.81Å; R233-D258 IonicContact CZ-OD1 3.41Å; R233-D258 IonicContact CZ-OD2 3.25Å; R233-D258 IonicContact NH1-OD1 2.76Å; R233-D258 PolarHBondContact NH1-OD1 3.21Å; R233-D258 IonicContact NH1-OD2 3.53Å; R233-D258 PolarHBondContact NH1-OD2 3.08Å; R233-D258 VanDerWaalsContact NH2-CG 3.28Å; R233-D258 IonicContact NH2-OD1 3.1Å; R233-D258 IonicContact NH2-OD2 2.68Å; R233-D258 PolarHBondContact NH2-OD2 3.4Å |
| 234 | Q | 95.4 | Very high | 94.8 | Very high | 127 Ų | 127 | 74.8 Ų | 74.8 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | -179.4 | -170.4 | 174.8 | 21 | 0 | 0 | 111.8 | E230 T231 L232 T237 S238 F254 | E230-Q234 WeakPolarHBondContact O-CB 3.47Å; E230-Q234 PolarHBondContact O-N 3.1Å; T231-Q234 PolarHBondContact O-N 3.45Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.42Å; Q234-T237 PolarHBondContact O-N 3.35Å; Q234-S238 WeakPolarHBondContact O-CB 3.09Å; Q234-S238 PolarHBondContact O-N 3.08Å; Q234-F254 HydrophobicContact CB-CE2 4.42Å |
| 235 | A | 93.8 | Very high | 94.5 | Very high | 35 Ų | 35 | 71 Ų | 71 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T231 L232 R233 S238 S239 L289 | T231-A235 WeakPolarHBondContact O-CB 3.22Å; T231-A235 PolarHBondContact O-N 3.3Å; L232-A235 PolarHBondContact O-N 3.46Å; R233-A235 PolarHBondContact O-N 2.83Å; A235-S238 PolarHBondContact O-N 3.38Å; A235-S239 VanDerWaalsContact O-CB 3.25Å; A235-S239 WeakPolarHBondContact O-CB 3.47Å; A235-S239 PolarHBondContact O-N 2.99Å; A235-S239 PolarHBondContact O-OG 2.83Å; A235-L289 HydrophobicContact CB-CD2 3.71Å |
| 236 | L | 93.8 | Very high | 93.9 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.7 | -48 | 177.1 | -71 | 172.8 | 0 | 0 | 0 | 111.8 | L232 R233 S238 S239 F240 I257 M261 L289 | L232-L236 WeakPolarHBondContact O-CB 3.39Å; L232-L236 VanDerWaalsContact O-CG 3.26Å; L232-L236 WeakPolarHBondContact O-CG 3.44Å; L232-L236 PolarHBondContact O-N 3.1Å; R233-L236 PolarHBondContact O-N 3.41Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 2.87Å; L236-S239 PolarHBondContact O-N 3.23Å; L236-F240 HydrophobicContact CD2-CD2 4.26Å; L236-F240 HydrophobicContact CD2-CE2 3.89Å; L236-F240 WeakPolarHBondContact O-CB 3.47Å; L236-F240 WeakPolarHBondContact O-CD2 3.42Å; L236-F240 PolarHBondContact O-N 2.9Å; L236-I257 HydrophobicContact CB-CD1 3.86Å; L236-I257 HydrophobicContact CB-CG1 3.89Å; L236-M261 HydrophobicContact CD2-CE 4.19Å; L236-L289 HydrophobicContact CD2-CD1 3.83Å; L236-L289 HydrophobicContact CD2-CD2 4.35Å |
| 237 | T | 95.5 | Very high | 93.3 | Very high | 23 Ų | 23 | 67.8 Ų | 67.8 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57 | -44.3 | 176.7 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | R233 Q234 S241 T253 | R233-T237 WeakPolarHBondContact O-CB 3.43Å; R233-T237 PolarHBondContact O-N 3.32Å; R233-T237 PolarHBondContact O-OG1 2.78Å; Q234-T237 PolarHBondContact O-N 3.35Å; T237-S241 WeakPolarHBondContact O-CB 3.42Å; T237-S241 PolarHBondContact O-N 2.9Å; T237-S241 VanDerWaalsContact O-N 3.11Å; T237-T253 PolarHBondContact OG1-O 3.1Å |
| 238 | S | 93.9 | Very high | 92.7 | Very high | 83 Ų | 83 | 65.4 Ų | 65.4 | 58% | 0.58 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64 | -49 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | Q234 A235 L236 F240 S241 | Q234-S238 WeakPolarHBondContact O-CB 3.09Å; Q234-S238 PolarHBondContact O-N 3.08Å; A235-S238 PolarHBondContact O-N 3.38Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 2.87Å; S238-F240 PolarHBondContact O-N 2.99Å; S238-S241 WeakPolarHBondContact O-CB 3.44Å; S238-S241 PolarHBondContact O-N 2.95Å; S238-S241 PolarHBondContact O-OG 3.23Å |
| 239 | S | 93.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | -174.5 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | A235 L236 V285 | A235-S239 VanDerWaalsContact O-CB 3.25Å; A235-S239 WeakPolarHBondContact O-CB 3.47Å; A235-S239 PolarHBondContact O-N 2.99Å; A235-S239 PolarHBondContact O-OG 2.83Å; L236-S239 PolarHBondContact O-N 3.23Å; S239-V285 WeakPolarHBondContact O-CG1 3.39Å |
| 240 | F | 94 | Very high | 92.1 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 0% | 0.004 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -95.4 | 2.7 | -179.6 | -74.1 | -95.3 | 0 | 0 | 0 | 114 | L236 S238 T242 V243 P252 Y260 M261 L264 V282 V285 V286 L289 | L236-F240 HydrophobicContact CD2-CD2 4.26Å; L236-F240 HydrophobicContact CD2-CE2 3.89Å; L236-F240 WeakPolarHBondContact O-CB 3.47Å; L236-F240 WeakPolarHBondContact O-CD2 3.42Å; L236-F240 PolarHBondContact O-N 2.9Å; S238-F240 PolarHBondContact O-N 2.99Å; F240-T242 PolarHBondContact O-N 3.02Å; F240-V243 HydrophobicContact CD1-CB 4.33Å; F240-V243 HydrophobicContact CD1-CG2 4.39Å; F240-V243 PolarHBondContact O-N 3.26Å; F240-P252 HydrophobicContact CB-CG 3.61Å; F240-P252 VanDerWaalsContact O-CD 3.28Å; F240-P252 WeakPolarHBondContact O-CD 3.16Å; F240-P252 WeakPolarHBondContact O-CG 3.25Å; F240-Y260 HydrophobicContact CB-CE1 4.04Å; F240-Y260 HydrophobicContact CD1-CE1 4.08Å; F240-Y260 HydrophobicContact CG-CE1 4.27Å; F240-M261 HydrophobicContact CD2-SD 4.37Å; F240-M261 HydrophobicContact CE1-SD 4.5Å; F240-M261 HydrophobicContact CE2-CE 4.19Å; F240-M261 HydrophobicContact CE2-SD 4.3Å; F240-M261 HydrophobicContact CZ-CE 4.16Å; F240-M261 HydrophobicContact CZ-SD 4.37Å; F240-L264 HydrophobicContact CD1-CD2 4.01Å; F240-L264 HydrophobicContact CE1-CD2 3.71Å; F240-V282 HydrophobicContact CE1-CG1 4.11Å; F240-V282 HydrophobicContact CE1-CG2 4.13Å; F240-V282 HydrophobicContact CZ-CG1 4.25Å; F240-V285 HydrophobicContact CD1-CG1 4.37Å; F240-V285 HydrophobicContact CD2-CG1 3.85Å; F240-V285 HydrophobicContact CE1-CG1 4.2Å; F240-V285 HydrophobicContact CE2-CG1 3.66Å; F240-V285 HydrophobicContact CG-CG1 4.21Å; F240-V285 HydrophobicContact CZ-CB 4.43Å; F240-V285 HydrophobicContact CZ-CG1 3.85Å; F240-V286 HydrophobicContact CZ-CG2 4.02Å; F240-L289 HydrophobicContact CE2-CD1 3.94Å |
| 241 | S | 93.2 | Very high | 91.9 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 42% | 0.42 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -25.6 | -179.1 | 60 | 0 | 0 | 0 | 0 | 114.4 | T237 S238 T251 | T237-S241 WeakPolarHBondContact O-CB 3.42Å; T237-S241 PolarHBondContact O-N 2.9Å; T237-S241 VanDerWaalsContact O-N 3.11Å; S238-S241 WeakPolarHBondContact O-CB 3.44Å; S238-S241 PolarHBondContact O-N 2.95Å; S238-S241 PolarHBondContact O-OG 3.23Å; S241-T251 WeakPolarHBondContact O-CG2 3.44Å |
| 242 | T | 91.4 | Very high | 91.9 | Very high | 114 Ų | 114 | 55.8 Ų | 55.8 | 70% | 0.699 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.2 | -179.5 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | F240 P244 | F240-T242 PolarHBondContact O-N 3.02Å; T242-P244 WeakPolarHBondContact O-CD 3.46Å |
| 243 | V | 91.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | trans | -108.8 | 94.4 | -176.7 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | F240 Y260 L278 T281 V285 | F240-V243 HydrophobicContact CD1-CB 4.33Å; F240-V243 HydrophobicContact CD1-CG2 4.39Å; F240-V243 PolarHBondContact O-N 3.26Å; V243-Y260 PolarHBondContact O-OH 3.42Å; V243-L278 HydrophobicContact CG1-CD1 3.68Å; V243-T281 HydrophobicContact CG2-CG2 4.07Å; V243-V285 HydrophobicContact CG2-CG2 4.32Å | ||
| 244 | P | 91.9 | Very high | 91.8 | Very high | 67 Ų | 67 | 54.7 Ų | 54.7 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 144.4 | 176.8 | 29.1 | -33.8 | 0 | 0 | 0 | 111.5 | T242 T251 | T242-P244 WeakPolarHBondContact O-CD 3.46Å; P244-T251 HydrophobicContact CB-CG2 4.23Å |
| 245 | L | 90.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 135.4 | 173.6 | -83.3 | 169.8 | 0 | 0 | 0 | 111.6 | G247 S248 G249 E250 Y260 K263 L264 | L245-G247 PolarHBondContact O-N 3.22Å; L245-S248 WeakPolarHBondContact CB-OG 3.48Å; L245-S248 PolarHBondContact O-N 3.42Å; L245-G249 WeakPolarHBondContact O-CA 3.41Å; L245-G249 PolarHBondContact O-N 3.22Å; L245-E250 HydrophobicContact CD1-CB 4.41Å; L245-E250 PolarHBondContact N-O 2.93Å; L245-Y260 HydrophobicContact CD1-CD2 3.61Å; L245-Y260 HydrophobicContact CD1-CE2 3.99Å; L245-Y260 HydrophobicContact CD1-CG 4.43Å; L245-Y260 HydrophobicContact CD2-CD2 4.5Å; L245-Y260 HydrophobicContact CD2-CE2 4.24Å; L245-Y260 HydrophobicContact CG-CD2 3.75Å; L245-Y260 HydrophobicContact CG-CE2 3.56Å; L245-K263 HydrophobicContact CD1-CB 3.9Å; L245-K263 HydrophobicContact CD1-CD 3.87Å; L245-K263 HydrophobicContact CD2-CB 4.3Å; L245-L264 HydrophobicContact CD2-CB 3.84Å; L245-L264 HydrophobicContact CD2-CD1 4.04Å |
| 246 | P | 86.2 | Confident | 91.9 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 34% | 0.338 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 134.6 | 173 | -25.4 | 35.3 | 0 | 0 | 0 | 112 | S248 V267 L278 | P246-S248 VanDerWaalsContact C-N 3.26Å; P246-S248 PolarHBondContact O-N 3.1Å; P246-S248 VanDerWaalsContact O-N 3.14Å; P246-V267 HydrophobicContact CB-CG1 4.28Å; P246-V267 HydrophobicContact CG-CG1 3.93Å; P246-L278 HydrophobicContact CG-CD2 3.54Å |
| 247 | G | 84.7 | Confident | 92 | Very high | 96 Ų | 96 | 53.3 Ų | 53.3 | 99% | 0.99 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -41.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | L245 | L245-G247 PolarHBondContact O-N 3.22Š|
| 248 | S | 85.4 | Confident | 92 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 53% | 0.531 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -26.1 | 179.7 | 68.6 | 0 | 0 | 0 | 0 | 114.4 | L245 P246 E250 | L245-S248 WeakPolarHBondContact CB-OG 3.48Å; L245-S248 PolarHBondContact O-N 3.42Å; P246-S248 VanDerWaalsContact C-N 3.26Å; P246-S248 PolarHBondContact O-N 3.1Å; P246-S248 VanDerWaalsContact O-N 3.14Å; S248-E250 PolarHBondContact O-N 3.29Å; S248-E250 WeakPolarHBondContact OG-CB 3.47Å; S248-E250 PolarHBondContact OG-N 3.31Å |
| 249 | G | 86.7 | Confident | 92.1 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | trans | 69.4 | 5.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L245 | L245-G249 WeakPolarHBondContact O-CA 3.41Å; L245-G249 PolarHBondContact O-N 3.22Å | ||
| 250 | E | 91.8 | Very high | 92.2 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 131.4 | -176.5 | -173 | -177.4 | -176.7 | 0 | 0 | 110.3 | L245 S248 K263 | L245-E250 HydrophobicContact CD1-CB 4.41Å; L245-E250 PolarHBondContact N-O 2.93Å; S248-E250 PolarHBondContact O-N 3.29Å; S248-E250 WeakPolarHBondContact OG-CB 3.47Å; S248-E250 PolarHBondContact OG-N 3.31Å; E250-K263 IonicContact OE1-NZ 3.71Å; E250-K263 IonicContact OE2-NZ 3.64Å; E250-K263 PolarHBondContact OE2-NZ 3.02Å |
| 251 | T | 92.5 | Very high | 92.3 | Very high | 64 Ų | 64 | 56.6 Ų | 56.6 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -103.7 | 151.6 | 171.2 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | S241 P244 | S241-T251 WeakPolarHBondContact O-CG2 3.44Å; P244-T251 HydrophobicContact CB-CG2 4.23Å |
| 252 | P | 95 | Very high | 92.4 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 138.1 | -176.4 | 23.4 | -24.6 | 0 | 0 | 0 | 111.3 | F240 I257 Y260 | F240-P252 HydrophobicContact CB-CG 3.61Å; F240-P252 VanDerWaalsContact O-CD 3.28Å; F240-P252 WeakPolarHBondContact O-CD 3.16Å; F240-P252 WeakPolarHBondContact O-CG 3.25Å; P252-I257 HydrophobicContact CB-CD1 3.56Å; P252-I257 HydrophobicContact CG-CD1 4.24Å; P252-Y260 HydrophobicContact CB-CD1 3.71Å; P252-Y260 HydrophobicContact CB-CD2 3.99Å; P252-Y260 HydrophobicContact CB-CE1 4.17Å; P252-Y260 HydrophobicContact CB-CE2 4.38Å; P252-Y260 HydrophobicContact CB-CG 3.64Å; P252-Y260 VanDerWaalsContact CD-CE2 3.5Å; P252-Y260 HydrophobicContact CG-CD1 3.94Å; P252-Y260 HydrophobicContact CG-CD2 4.22Å; P252-Y260 HydrophobicContact CG-CE1 3.85Å; P252-Y260 HydrophobicContact CG-CE2 4.09Å; P252-Y260 HydrophobicContact CG-CG 4.15Å |
| 253 | T | 94.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 59.8 Ų | 59.8 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | trans | -109.1 | 174 | 163.3 | 71.8 | 0 | 0 | 0 | 0 | 109.5 | T237 D255 T256 I257 | T237-T253 PolarHBondContact OG1-O 3.1Å; T253-D255 VanDerWaalsContact C-N 3.28Å; T253-D255 PolarHBondContact O-N 3.45Å; T253-T256 PolarHBondContact N-OG1 3.47Å; T253-T256 PolarHBondContact O-N 3.17Å; T253-T256 WeakPolarHBondContact OG1-CG2 3.31Å; T253-T256 PolarHBondContact OG1-N 2.93Å; T253-T256 PolarHBondContact OG1-OG1 2.99Å; T253-I257 WeakPolarHBondContact O-CB 3.47Å; T253-I257 PolarHBondContact O-N 3.33Å | ||
| 254 | F | 93.7 | Very high | 92.6 | Very high | 64 Ų | 64 | 59.7 Ų | 59.7 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -41.7 | 179.8 | -173.1 | -92.4 | 0 | 0 | 0 | 112.5 | E230 R233 Q234 I257 | E230-F254 HydrophobicContact CG-CZ 4.31Å; E230-F254 WeakPolarHBondContact OE1-CE1 3.25Å; E230-F254 WeakPolarHBondContact OE1-CE2 3.37Å; E230-F254 WeakPolarHBondContact OE1-CZ 3.41Å; E230-F254 WeakPolarHBondContact OE2-CZ 2.93Å; R233-F254 HydrophobicContact CB-CD2 4.43Å; R233-F254 HydrophobicContact CB-CE2 3.65Å; R233-F254 HydrophobicContact CB-CZ 3.98Å; R233-F254 PolarHBondContact NE-O 3.44Å; Q234-F254 HydrophobicContact CB-CE2 4.42Å; F254-I257 WeakPolarHBondContact O-CG2 3.37Å |
| 255 | D | 94.9 | Very high | 92.7 | Very high | 134 Ų | 134 | 62.1 Ų | 62.1 | 72% | 0.717 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -30.4 | -179.5 | -58 | -49.7 | 0 | 0 | 0 | 112.6 | T253 | T253-D255 VanDerWaalsContact C-N 3.28Å; T253-D255 PolarHBondContact O-N 3.45Å |
| 256 | T | 95.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 65.3 Ų | 65.3 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -5.8 | -174.4 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | T253 D258 S259 Y260 | T253-T256 PolarHBondContact N-OG1 3.47Å; T253-T256 PolarHBondContact O-N 3.17Å; T253-T256 WeakPolarHBondContact OG1-CG2 3.31Å; T253-T256 PolarHBondContact OG1-N 2.93Å; T253-T256 PolarHBondContact OG1-OG1 2.99Å; T256-D258 VanDerWaalsContact C-N 3.33Å; T256-D258 PolarHBondContact O-N 3.12Å; T256-S259 PolarHBondContact O-N 3.07Å; T256-Y260 WeakPolarHBondContact O-CB 3.46Å; T256-Y260 PolarHBondContact O-N 3.28Å |
| 257 | I | 96 | Very high | 93.1 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.2 | -43.1 | -171 | -172.2 | 60.2 | 0 | 0 | 0 | 113.8 | R233 L236 P252 T253 F254 S259 Y260 M261 | R233-I257 HydrophobicContact CB-CG2 4.01Å; R233-I257 HydrophobicContact CG-CG2 3.81Å; L236-I257 HydrophobicContact CB-CD1 3.86Å; L236-I257 HydrophobicContact CB-CG1 3.89Å; P252-I257 HydrophobicContact CB-CD1 3.56Å; P252-I257 HydrophobicContact CG-CD1 4.24Å; T253-I257 WeakPolarHBondContact O-CB 3.47Å; T253-I257 PolarHBondContact O-N 3.33Å; F254-I257 WeakPolarHBondContact O-CG2 3.37Å; I257-S259 PolarHBondContact O-N 3.26Å; I257-Y260 HydrophobicContact CD1-CD1 4.26Å; I257-Y260 PolarHBondContact O-N 3.35Å; I257-M261 HydrophobicContact CD1-CG 3.93Å; I257-M261 HydrophobicContact CD1-SD 4.37Å; I257-M261 HydrophobicContact CG1-CG 4.2Å; I257-M261 WeakPolarHBondContact O-CB 3.48Å; I257-M261 VanDerWaalsContact O-CG 3.24Å; I257-M261 WeakPolarHBondContact O-CG 3.44Å; I257-M261 PolarHBondContact O-N 2.98Å |
| 258 | D | 95.5 | Very high | 93.4 | Very high | 95 Ų | 95 | 61.8 Ų | 61.8 | 51% | 0.508 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 179.7 | -61.4 | -27.3 | 0 | 0 | 0 | 112.1 | R233 T256 K262 | R233-D258 IonicContact CZ-OD1 3.41Å; R233-D258 IonicContact CZ-OD2 3.25Å; R233-D258 IonicContact NH1-OD1 2.76Å; R233-D258 PolarHBondContact NH1-OD1 3.21Å; R233-D258 IonicContact NH1-OD2 3.53Å; R233-D258 PolarHBondContact NH1-OD2 3.08Å; R233-D258 VanDerWaalsContact NH2-CG 3.28Å; R233-D258 IonicContact NH2-OD1 3.1Å; R233-D258 IonicContact NH2-OD2 2.68Å; R233-D258 PolarHBondContact NH2-OD2 3.4Å; T256-D258 VanDerWaalsContact C-N 3.33Å; T256-D258 PolarHBondContact O-N 3.12Å; D258-K262 WeakPolarHBondContact O-CB 3.34Å; D258-K262 PolarHBondContact O-N 2.93Å |
| 259 | S | 96.2 | Very high | 93.7 | Very high | 61 Ų | 61 | 63 Ų | 63 | 43% | 0.427 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 178.8 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | T256 I257 K262 K263 | T256-S259 PolarHBondContact O-N 3.07Å; I257-S259 PolarHBondContact O-N 3.26Å; S259-K262 PolarHBondContact O-N 2.87Å; S259-K263 WeakPolarHBondContact O-CB 3.29Å; S259-K263 VanDerWaalsContact O-CG 3.27Å; S259-K263 WeakPolarHBondContact O-CG 3.47Å; S259-K263 PolarHBondContact O-N 2.86Å |
| 260 | Y | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.9 | -51.1 | 174 | 170.5 | -85.6 | 0 | 0 | 0 | 111.2 | F240 V243 L245 P252 T256 I257 K262 K263 L264 | F240-Y260 HydrophobicContact CB-CE1 4.04Å; F240-Y260 HydrophobicContact CD1-CE1 4.08Å; F240-Y260 HydrophobicContact CG-CE1 4.27Å; V243-Y260 PolarHBondContact O-OH 3.42Å; L245-Y260 HydrophobicContact CD1-CD2 3.61Å; L245-Y260 HydrophobicContact CD1-CE2 3.99Å; L245-Y260 HydrophobicContact CD1-CG 4.43Å; L245-Y260 HydrophobicContact CD2-CD2 4.5Å; L245-Y260 HydrophobicContact CD2-CE2 4.24Å; L245-Y260 HydrophobicContact CG-CD2 3.75Å; L245-Y260 HydrophobicContact CG-CE2 3.56Å; P252-Y260 HydrophobicContact CB-CD1 3.71Å; P252-Y260 HydrophobicContact CB-CD2 3.99Å; P252-Y260 HydrophobicContact CB-CE1 4.17Å; P252-Y260 HydrophobicContact CB-CE2 4.38Å; P252-Y260 HydrophobicContact CB-CG 3.64Å; P252-Y260 VanDerWaalsContact CD-CE2 3.5Å; P252-Y260 HydrophobicContact CG-CD1 3.94Å; P252-Y260 HydrophobicContact CG-CD2 4.22Å; P252-Y260 HydrophobicContact CG-CE1 3.85Å; P252-Y260 HydrophobicContact CG-CE2 4.09Å; P252-Y260 HydrophobicContact CG-CG 4.15Å; T256-Y260 WeakPolarHBondContact O-CB 3.46Å; T256-Y260 PolarHBondContact O-N 3.28Å; I257-Y260 HydrophobicContact CD1-CD1 4.26Å; I257-Y260 PolarHBondContact O-N 3.35Å; Y260-K262 VanDerWaalsContact C-N 3.31Å; Y260-K262 PolarHBondContact O-N 3.23Å; Y260-K263 PolarHBondContact O-N 3.32Å; Y260-L264 HydrophobicContact CE1-CB 4.4Å; Y260-L264 HydrophobicContact CE1-CD2 3.89Å; Y260-L264 WeakPolarHBondContact O-CB 3.27Å; Y260-L264 PolarHBondContact O-N 3.48Å |
| 261 | M | 94.9 | Very high | 93.7 | Very high | 59 Ų | 59 | 63.7 Ų | 63.7 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | -179 | -70.5 | -60.7 | -77.1 | 0 | 0 | 111.7 | L236 F240 I257 L264 H265 | L236-M261 HydrophobicContact CD2-CE 4.19Å; F240-M261 HydrophobicContact CD2-SD 4.37Å; F240-M261 HydrophobicContact CE1-SD 4.5Å; F240-M261 HydrophobicContact CE2-CE 4.19Å; F240-M261 HydrophobicContact CE2-SD 4.3Å; F240-M261 HydrophobicContact CZ-CE 4.16Å; F240-M261 HydrophobicContact CZ-SD 4.37Å; I257-M261 HydrophobicContact CD1-CG 3.93Å; I257-M261 HydrophobicContact CD1-SD 4.37Å; I257-M261 HydrophobicContact CG1-CG 4.2Å; I257-M261 WeakPolarHBondContact O-CB 3.48Å; I257-M261 VanDerWaalsContact O-CG 3.24Å; I257-M261 WeakPolarHBondContact O-CG 3.44Å; I257-M261 PolarHBondContact O-N 2.98Å; M261-L264 PolarHBondContact O-N 2.93Å; M261-L264 HydrophobicContact SD-CD2 4.34Å; M261-H265 VanDerWaalsContact O-CB 3.28Å; M261-H265 WeakPolarHBondContact O-CB 3.31Å; M261-H265 PolarHBondContact O-N 3.42Å |
| 262 | K | 95.1 | Very high | 93.4 | Very high | 156 Ų | 156 | 63.8 Ų | 63.8 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 174.8 | -172.6 | 176.7 | -178.9 | 179.1 | 0 | 112 | D258 S259 Y260 T266 | D258-K262 WeakPolarHBondContact O-CB 3.34Å; D258-K262 PolarHBondContact O-N 2.93Å; S259-K262 PolarHBondContact O-N 2.87Å; Y260-K262 VanDerWaalsContact C-N 3.31Å; Y260-K262 PolarHBondContact O-N 3.23Å; K262-T266 WeakPolarHBondContact O-CB 3.45Å; K262-T266 PolarHBondContact O-N 3.1Å; K262-T266 PolarHBondContact O-OG1 2.89Å |
| 263 | K | 94.6 | Very high | 93 | Very high | 84 Ų | 84 | 72.1 Ų | 72.1 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 175.7 | -72.6 | 169.3 | 180 | 174.3 | 0 | 111 | L245 E250 S259 Y260 H265 T266 V267 | L245-K263 HydrophobicContact CD1-CB 3.9Å; L245-K263 HydrophobicContact CD1-CD 3.87Å; L245-K263 HydrophobicContact CD2-CB 4.3Å; E250-K263 IonicContact OE1-NZ 3.71Å; E250-K263 IonicContact OE2-NZ 3.64Å; E250-K263 PolarHBondContact OE2-NZ 3.02Å; S259-K263 WeakPolarHBondContact O-CB 3.29Å; S259-K263 VanDerWaalsContact O-CG 3.27Å; S259-K263 WeakPolarHBondContact O-CG 3.47Å; S259-K263 PolarHBondContact O-N 2.86Å; Y260-K263 PolarHBondContact O-N 3.32Å; K263-H265 VanDerWaalsContact C-N 3.35Å; K263-H265 PolarHBondContact O-N 3.34Å; K263-T266 WeakPolarHBondContact O-CB 3.38Å; K263-T266 PolarHBondContact O-N 3.42Å; K263-T266 VanDerWaalsContact O-N 3.15Å; K263-V267 WeakPolarHBondContact O-CG2 3.49Å; K263-V267 PolarHBondContact O-N 2.93Å |
| 264 | L | 93.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 177.8 | -179.8 | 64.1 | 0 | 0 | 0 | 111 | F240 L245 Y260 M261 T266 V267 I268 L278 V282 | F240-L264 HydrophobicContact CD1-CD2 4.01Å; F240-L264 HydrophobicContact CE1-CD2 3.71Å; L245-L264 HydrophobicContact CD2-CB 3.84Å; L245-L264 HydrophobicContact CD2-CD1 4.04Å; Y260-L264 HydrophobicContact CE1-CB 4.4Å; Y260-L264 HydrophobicContact CE1-CD2 3.89Å; Y260-L264 WeakPolarHBondContact O-CB 3.27Å; Y260-L264 PolarHBondContact O-N 3.48Å; M261-L264 PolarHBondContact O-N 2.93Å; M261-L264 HydrophobicContact SD-CD2 4.34Å; L264-T266 VanDerWaalsContact C-N 3.34Å; L264-T266 PolarHBondContact O-N 3.05Å; L264-V267 PolarHBondContact O-N 3.27Å; L264-I268 HydrophobicContact CD1-CD1 4.03Å; L264-I268 HydrophobicContact CG-CD1 3.96Å; L264-I268 VanDerWaalsContact O-CG1 3.3Å; L264-I268 WeakPolarHBondContact O-CG1 3.42Å; L264-I268 PolarHBondContact O-N 2.78Å; L264-L278 HydrophobicContact CD1-CD1 4.36Å; L264-L278 HydrophobicContact CD1-CD2 4.04Å; L264-L278 HydrophobicContact CD1-CG 4.43Å; L264-V282 HydrophobicContact CD1-CG2 4.36Å; L264-V282 HydrophobicContact CD2-CG2 4.08Å |
| 265 | H | 93.3 | Very high | 92.3 | Very high | 119 Ų | 119 | 74.8 Ų | 74.8 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 176 | 179.1 | -96.8 | 0 | 0 | 0 | 112.2 | M261 K263 I268 I269 | M261-H265 VanDerWaalsContact O-CB 3.28Å; M261-H265 WeakPolarHBondContact O-CB 3.31Å; M261-H265 PolarHBondContact O-N 3.42Å; K263-H265 VanDerWaalsContact C-N 3.35Å; K263-H265 PolarHBondContact O-N 3.34Å; H265-I268 PolarHBondContact O-N 3.34Å; H265-I269 WeakPolarHBondContact CE1-CD1 3.44Å; H265-I269 WeakPolarHBondContact NE2-CD1 3.41Å; H265-I269 WeakPolarHBondContact O-CG1 3.25Å; H265-I269 PolarHBondContact O-N 2.81Å |
| 266 | T | 94 | Very high | 92 | Very high | 74 Ų | 74 | 74.8 Ų | 74.8 | 45% | 0.454 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | K262 K263 L264 I268 I269 S270 | K262-T266 WeakPolarHBondContact O-CB 3.45Å; K262-T266 PolarHBondContact O-N 3.1Å; K262-T266 PolarHBondContact O-OG1 2.89Å; K263-T266 WeakPolarHBondContact O-CB 3.38Å; K263-T266 PolarHBondContact O-N 3.42Å; K263-T266 VanDerWaalsContact O-N 3.15Å; L264-T266 VanDerWaalsContact C-N 3.34Å; L264-T266 PolarHBondContact O-N 3.05Å; T266-I268 PolarHBondContact O-N 3.02Å; T266-I269 PolarHBondContact O-N 3.07Å; T266-S270 WeakPolarHBondContact O-CB 3.44Å; T266-S270 PolarHBondContact O-N 3.2Å; T266-S270 PolarHBondContact O-OG 3.47Å |
| 267 | V | 91.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 77.1 Ų | 77.1 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 178.9 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | P246 K263 L264 I269 S270 S271 H275 | P246-V267 HydrophobicContact CB-CG1 4.28Å; P246-V267 HydrophobicContact CG-CG1 3.93Å; K263-V267 WeakPolarHBondContact O-CG2 3.49Å; K263-V267 PolarHBondContact O-N 2.93Å; L264-V267 PolarHBondContact O-N 3.27Å; V267-I269 VanDerWaalsContact C-N 3.33Å; V267-I269 PolarHBondContact O-N 3.26Å; V267-S270 PolarHBondContact O-N 3.11Å; V267-S271 PolarHBondContact O-N 3.28Å; V267-H275 WeakPolarHBondContact CG1-NE2 3.23Å; V267-H275 PolarHBondContact O-CD2 3.02Å |
| 268 | I | 90.5 | Very high | 91.3 | Very high | 34 Ų | 34 | 78 Ų | 78 | 17% | 0.174 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 178.6 | -71.9 | 169.1 | 0 | 0 | 0 | 111.7 | L264 H265 T266 P272 L278 I279 V282 | L264-I268 HydrophobicContact CD1-CD1 4.03Å; L264-I268 HydrophobicContact CG-CD1 3.96Å; L264-I268 VanDerWaalsContact O-CG1 3.3Å; L264-I268 WeakPolarHBondContact O-CG1 3.42Å; L264-I268 PolarHBondContact O-N 2.78Å; H265-I268 PolarHBondContact O-N 3.34Å; T266-I268 PolarHBondContact O-N 3.02Å; I268-P272 WeakPolarHBondContact O-CA 3.49Å; I268-P272 WeakPolarHBondContact O-CG 3.48Å; I268-L278 HydrophobicContact CG1-CD2 4.38Å; I268-I279 HydrophobicContact CG1-CG1 4.22Å; I268-I279 HydrophobicContact CG2-CD1 3.96Å; I268-I279 HydrophobicContact CG2-CG1 3.75Å; I268-V282 HydrophobicContact CD1-CG2 4.17Å |
| 269 | I | 92.1 | Very high | 91.1 | Very high | 102 Ų | 102 | 75.4 Ų | 75.4 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -75.7 | -36.9 | -179 | -70.7 | -177.8 | 0 | 0 | 0 | 112.3 | H265 T266 V267 P272 | H265-I269 WeakPolarHBondContact CE1-CD1 3.44Å; H265-I269 WeakPolarHBondContact NE2-CD1 3.41Å; H265-I269 WeakPolarHBondContact O-CG1 3.25Å; H265-I269 PolarHBondContact O-N 2.81Å; T266-I269 PolarHBondContact O-N 3.07Å; V267-I269 VanDerWaalsContact C-N 3.33Å; V267-I269 PolarHBondContact O-N 3.26Å; I269-P272 WeakPolarHBondContact O-CD 3.46Å |
| 270 | S | 91.3 | Very high | 90.8 | Very high | 88 Ų | 88 | 76.2 Ų | 76.2 | 62% | 0.615 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68 | -38.4 | -176.6 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | T266 V267 | T266-S270 WeakPolarHBondContact O-CB 3.44Å; T266-S270 PolarHBondContact O-N 3.2Å; T266-S270 PolarHBondContact O-OG 3.47Å; V267-S270 PolarHBondContact O-N 3.11Å |
| 271 | S | 88.1 | Confident | 90.6 | Very high | 39 Ų | 39 | 79.4 Ų | 79.4 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | trans | -138.2 | 71.6 | 179.6 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | V267 Q273 E274 H275 | V267-S271 PolarHBondContact O-N 3.28Å; S271-Q273 VanDerWaalsContact C-N 3.31Å; S271-Q273 PolarHBondContact O-N 3.46Å; S271-E274 WeakPolarHBondContact CB-OE2 3.4Å; S271-E274 PolarHBondContact O-N 3.45Å; S271-E274 PolarHBondContact OG-OE2 2.94Å; S271-H275 PolarHBondContact O-CD2 3.28Å; S271-H275 VanDerWaalsContact O-CD2 3.28Å; S271-H275 PolarHBondContact O-N 3.04Å | ||
| 272 | P | 85.3 | Confident | 90.4 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 43% | 0.429 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -35.4 | -172.7 | -19 | 30.3 | 0 | 0 | 0 | 113.4 | I268 I269 E274 H275 E276 I279 | I268-P272 WeakPolarHBondContact O-CA 3.49Å; I268-P272 WeakPolarHBondContact O-CG 3.48Å; I269-P272 WeakPolarHBondContact O-CD 3.46Å; P272-E274 VanDerWaalsContact C-N 3.34Å; P272-H275 PolarHBondContact O-N 3.32Å; P272-E276 PolarHBondContact O-N 3.22Å; P272-I279 HydrophobicContact CB-CD1 4.46Å; P272-I279 WeakPolarHBondContact O-CD1 3.4Å |
| 273 | Q | 86.3 | Confident | 90.2 | Very high | 184 Ų | 184 | 78 Ų | 78 | 86% | 0.86 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -24.1 | -175.9 | -48.4 | -155.9 | 19.7 | 0 | 0 | 112.2 | S271 | S271-Q273 VanDerWaalsContact C-N 3.31Å; S271-Q273 PolarHBondContact O-N 3.46Å |
| 274 | E | 86.6 | Confident | 90 | Very high | 149 Ų | 149 | 77.3 Ų | 77.3 | 70% | 0.696 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -15.5 | 177.2 | -61.1 | 179 | 171.4 | 0 | 0 | 112.2 | S271 P272 | S271-E274 WeakPolarHBondContact CB-OE2 3.4Å; S271-E274 PolarHBondContact O-N 3.45Å; S271-E274 PolarHBondContact OG-OE2 2.94Å; P272-E274 VanDerWaalsContact C-N 3.34Å |
| 275 | H | 86.4 | Confident | 89.9 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 18% | 0.181 | 41% | 0.41 | C | S | . | . | trans | -119.2 | 24.1 | -173.3 | -64 | -39.5 | 0 | 0 | 0 | 113.3 | V267 S271 P272 S277 L278 I279 | V267-H275 WeakPolarHBondContact CG1-NE2 3.23Å; V267-H275 PolarHBondContact O-CD2 3.02Å; S271-H275 PolarHBondContact O-CD2 3.28Å; S271-H275 VanDerWaalsContact O-CD2 3.28Å; S271-H275 PolarHBondContact O-N 3.04Å; P272-H275 PolarHBondContact O-N 3.32Å; H275-S277 VanDerWaalsContact C-N 3.31Å; H275-S277 PolarHBondContact O-N 3.12Å; H275-L278 HydrophobicContact CB-CB 4.29Å; H275-L278 HydrophobicContact CB-CD2 4.44Å; H275-L278 WeakPolarHBondContact O-CB 3.48Å; H275-L278 PolarHBondContact O-N 3.48Å; H275-L278 VanDerWaalsContact O-N 3.09Å; H275-I279 VanDerWaalsContact O-CG1 3.3Å; H275-I279 WeakPolarHBondContact O-CG1 3.47Å; H275-I279 PolarHBondContact O-N 2.9Å | ||
| 276 | E | 89.3 | Confident | 89.8 | Confident | 134 Ų | 134 | 75.1 Ų | 75.1 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.6 | -39.5 | -177.1 | -167 | 175.9 | -169.8 | 0 | 0 | 113.2 | P272 I279 N280 | P272-E276 PolarHBondContact O-N 3.22Å; E276-I279 PolarHBondContact O-N 3.02Å; E276-N280 PolarHBondContact O-N 3.44Å; E276-N280 PolarHBondContact O-ND2 2.86Å |
| 277 | S | 87.3 | Confident | 89.5 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 175 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | H275 N280 T281 | H275-S277 VanDerWaalsContact C-N 3.31Å; H275-S277 PolarHBondContact O-N 3.12Å; S277-N280 PolarHBondContact O-N 2.73Å; S277-T281 PolarHBondContact O-N 2.9Å; S277-T281 PolarHBondContact O-OG1 3.44Å; S277-T281 VanDerWaalsContact O-OG1 3.09Å |
| 278 | L | 89.2 | Confident | 89.3 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 11% | 0.105 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 175.4 | 177 | 64.5 | 0 | 0 | 0 | 110.9 | V243 P246 L264 I268 H275 N280 T281 V282 | V243-L278 HydrophobicContact CG1-CD1 3.68Å; P246-L278 HydrophobicContact CG-CD2 3.54Å; L264-L278 HydrophobicContact CD1-CD1 4.36Å; L264-L278 HydrophobicContact CD1-CD2 4.04Å; L264-L278 HydrophobicContact CD1-CG 4.43Å; I268-L278 HydrophobicContact CG1-CD2 4.38Å; H275-L278 HydrophobicContact CB-CB 4.29Å; H275-L278 HydrophobicContact CB-CD2 4.44Å; H275-L278 WeakPolarHBondContact O-CB 3.48Å; H275-L278 PolarHBondContact O-N 3.48Å; H275-L278 VanDerWaalsContact O-N 3.09Å; L278-N280 VanDerWaalsContact C-N 3.3Å; L278-N280 PolarHBondContact O-N 3.21Å; L278-T281 PolarHBondContact O-N 3.14Å; L278-V282 HydrophobicContact CD1-CG2 4.2Å; L278-V282 HydrophobicContact CG-CG2 4.36Å; L278-V282 VanDerWaalsContact O-CG2 3.28Å; L278-V282 WeakPolarHBondContact O-CG2 3.26Å; L278-V282 PolarHBondContact O-N 2.68Å |
| 279 | I | 91.3 | Very high | 88.9 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 20% | 0.2 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 177 | -68.5 | 166.2 | 0 | 0 | 0 | 110.9 | I268 P272 H275 E276 V282 R283 | I268-I279 HydrophobicContact CG1-CG1 4.22Å; I268-I279 HydrophobicContact CG2-CD1 3.96Å; I268-I279 HydrophobicContact CG2-CG1 3.75Å; P272-I279 HydrophobicContact CB-CD1 4.46Å; P272-I279 WeakPolarHBondContact O-CD1 3.4Å; H275-I279 VanDerWaalsContact O-CG1 3.3Å; H275-I279 WeakPolarHBondContact O-CG1 3.47Å; H275-I279 PolarHBondContact O-N 2.9Å; E276-I279 PolarHBondContact O-N 3.02Å; I279-V282 PolarHBondContact O-N 3.11Å; I279-R283 WeakPolarHBondContact O-CB 3.48Å; I279-R283 PolarHBondContact O-N 3.29Å |
| 280 | N | 91.6 | Very high | 87.6 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 42% | 0.422 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.3 | -72.4 | -33.5 | 0 | 0 | 0 | 112.2 | E276 S277 L278 R283 D284 | E276-N280 PolarHBondContact O-N 3.44Å; E276-N280 PolarHBondContact O-ND2 2.86Å; S277-N280 PolarHBondContact O-N 2.73Å; L278-N280 VanDerWaalsContact C-N 3.3Å; L278-N280 PolarHBondContact O-N 3.21Å; N280-R283 PolarHBondContact O-N 3.24Å; N280-R283 PolarHBondContact OD1-NH1 2.85Å; N280-D284 PolarHBondContact O-N 3.04Å |
| 281 | T | 90.6 | Very high | 85.8 | Confident | 67 Ų | 67 | 92.6 Ų | 92.6 | 41% | 0.411 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.4 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | V243 S277 L278 R283 D284 V285 | V243-T281 HydrophobicContact CG2-CG2 4.07Å; S277-T281 PolarHBondContact O-N 2.9Å; S277-T281 PolarHBondContact O-OG1 3.44Å; S277-T281 VanDerWaalsContact O-OG1 3.09Å; L278-T281 PolarHBondContact O-N 3.14Å; T281-R283 VanDerWaalsContact C-N 3.31Å; T281-R283 PolarHBondContact O-N 3.34Å; T281-D284 PolarHBondContact O-N 3.02Å; T281-V285 HydrophobicContact CG2-CG2 4.46Å; T281-V285 VanDerWaalsContact O-CG2 3.28Å; T281-V285 WeakPolarHBondContact O-CG2 3.33Å; T281-V285 PolarHBondContact O-N 3.2Å |
| 282 | V | 91.6 | Very high | 85.7 | Confident | 23 Ų | 23 | 95.3 Ų | 95.3 | 14% | 0.139 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | F240 L264 I268 L278 I279 V285 V286 | F240-V282 HydrophobicContact CE1-CG1 4.11Å; F240-V282 HydrophobicContact CE1-CG2 4.13Å; F240-V282 HydrophobicContact CZ-CG1 4.25Å; L264-V282 HydrophobicContact CD1-CG2 4.36Å; L264-V282 HydrophobicContact CD2-CG2 4.08Å; I268-V282 HydrophobicContact CD1-CG2 4.17Å; L278-V282 HydrophobicContact CD1-CG2 4.2Å; L278-V282 HydrophobicContact CG-CG2 4.36Å; L278-V282 VanDerWaalsContact O-CG2 3.28Å; L278-V282 WeakPolarHBondContact O-CG2 3.26Å; L278-V282 PolarHBondContact O-N 2.68Å; I279-V282 PolarHBondContact O-N 3.11Å; V282-V285 PolarHBondContact O-N 2.78Å; V282-V286 HydrophobicContact CG1-CG2 4.27Å; V282-V286 WeakPolarHBondContact O-CB 3.45Å; V282-V286 VanDerWaalsContact O-CG2 3.25Å; V282-V286 WeakPolarHBondContact O-CG2 3.34Å; V282-V286 PolarHBondContact O-N 3.28Å |
| 283 | R | 91 | Very high | 85.7 | Confident | 161 Ų | 161 | 96.8 Ų | 96.8 | 61% | 0.608 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 176.7 | -172.8 | -176 | -73 | 142.6 | -4.8 | 112.1 | I279 N280 T281 S287 | I279-R283 WeakPolarHBondContact O-CB 3.48Å; I279-R283 PolarHBondContact O-N 3.29Å; N280-R283 PolarHBondContact O-N 3.24Å; N280-R283 PolarHBondContact OD1-NH1 2.85Å; T281-R283 VanDerWaalsContact C-N 3.31Å; T281-R283 PolarHBondContact O-N 3.34Å; R283-S287 WeakPolarHBondContact O-CB 3.31Å; R283-S287 PolarHBondContact O-N 2.66Å |
| 284 | D | 91 | Very high | 85.7 | Confident | 71 Ų | 71 | 92 Ų | 92 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 175.9 | 178 | 45.9 | 0 | 0 | 0 | 111.4 | N280 T281 V286 S287 R288 | N280-D284 PolarHBondContact O-N 3.04Å; T281-D284 PolarHBondContact O-N 3.02Å; D284-V286 PolarHBondContact O-N 2.65Å; D284-S287 PolarHBondContact O-N 3.25Å; D284-S287 PolarHBondContact O-OG 2.72Å; D284-R288 WeakPolarHBondContact O-CG 3.49Å; D284-R288 PolarHBondContact O-N 2.97Å; D284-R288 IonicContact OD1-CZ 3.67Å; D284-R288 IonicContact OD1-NE 3.96Å; D284-R288 PolarHBondContact OD1-NE 2.87Å; D284-R288 VanDerWaalsContact OD1-NE 3.14Å; D284-R288 IonicContact OD1-NH2 2.81Å; D284-R288 PolarHBondContact OD1-NH2 3.31Å; D284-R288 IonicContact OD2-CZ 3.24Å; D284-R288 VanDerWaalsContact OD2-CZ 3.25Å; D284-R288 IonicContact OD2-NE 3.61Å; D284-R288 PolarHBondContact OD2-NE 3.06Å; D284-R288 IonicContact OD2-NH2 3.14Å; D284-R288 PolarHBondContact OD2-NH2 3.1Å |
| 285 | V | 90.9 | Very high | 85.6 | Confident | 15 Ų | 15 | 88.6 Ų | 88.6 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59 | -47 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | S239 F240 V243 T281 V282 S287 R288 L289 | S239-V285 WeakPolarHBondContact O-CG1 3.39Å; F240-V285 HydrophobicContact CD1-CG1 4.37Å; F240-V285 HydrophobicContact CD2-CG1 3.85Å; F240-V285 HydrophobicContact CE1-CG1 4.2Å; F240-V285 HydrophobicContact CE2-CG1 3.66Å; F240-V285 HydrophobicContact CG-CG1 4.21Å; F240-V285 HydrophobicContact CZ-CB 4.43Å; F240-V285 HydrophobicContact CZ-CG1 3.85Å; V243-V285 HydrophobicContact CG2-CG2 4.32Å; T281-V285 HydrophobicContact CG2-CG2 4.46Å; T281-V285 VanDerWaalsContact O-CG2 3.28Å; T281-V285 WeakPolarHBondContact O-CG2 3.33Å; T281-V285 PolarHBondContact O-N 3.2Å; V282-V285 PolarHBondContact O-N 2.78Å; V285-S287 VanDerWaalsContact C-N 3.35Å; V285-S287 PolarHBondContact O-N 3.1Å; V285-R288 PolarHBondContact O-N 3.12Å; V285-L289 HydrophobicContact CG1-CD1 4.3Å; V285-L289 PolarHBondContact O-N 3.16Å |
| 286 | V | 89.6 | Confident | 85.5 | Confident | 62 Ų | 62 | 91.8 Ų | 91.8 | 38% | 0.376 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | F240 V282 D284 R288 L289 D290 | F240-V286 HydrophobicContact CZ-CG2 4.02Å; V282-V286 HydrophobicContact CG1-CG2 4.27Å; V282-V286 WeakPolarHBondContact O-CB 3.45Å; V282-V286 VanDerWaalsContact O-CG2 3.25Å; V282-V286 WeakPolarHBondContact O-CG2 3.34Å; V282-V286 PolarHBondContact O-N 3.28Å; D284-V286 PolarHBondContact O-N 2.65Å; V286-R288 PolarHBondContact O-N 3.01Å; V286-R288 VanDerWaalsContact O-N 3.12Å; V286-L289 WeakPolarHBondContact O-CB 3.34Å; V286-L289 PolarHBondContact O-N 3.15Å; V286-D290 PolarHBondContact O-N 3.34Å |
| 287 | S | 89.1 | Confident | 85.3 | Confident | 62 Ų | 62 | 88.9 Ų | 88.9 | 43% | 0.434 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.8 | -20.9 | 178 | 77.1 | 0 | 0 | 0 | 0 | 114 | R283 D284 V285 | R283-S287 WeakPolarHBondContact O-CB 3.31Å; R283-S287 PolarHBondContact O-N 2.66Å; D284-S287 PolarHBondContact O-N 3.25Å; D284-S287 PolarHBondContact O-OG 2.72Å; V285-S287 VanDerWaalsContact C-N 3.35Å; V285-S287 PolarHBondContact O-N 3.1Å |
| 288 | R | 86.6 | Confident | 85.2 | Confident | 166 Ų | 166 | 88.7 Ų | 88.7 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -89.4 | -20.3 | 176.5 | -62.3 | 170.8 | -169.5 | -159.3 | 4.2 | 112.9 | D284 V285 V286 | D284-R288 WeakPolarHBondContact O-CG 3.49Å; D284-R288 PolarHBondContact O-N 2.97Å; D284-R288 IonicContact OD1-CZ 3.67Å; D284-R288 IonicContact OD1-NE 3.96Å; D284-R288 PolarHBondContact OD1-NE 2.87Å; D284-R288 VanDerWaalsContact OD1-NE 3.14Å; D284-R288 IonicContact OD1-NH2 2.81Å; D284-R288 PolarHBondContact OD1-NH2 3.31Å; D284-R288 IonicContact OD2-CZ 3.24Å; D284-R288 VanDerWaalsContact OD2-CZ 3.25Å; D284-R288 IonicContact OD2-NE 3.61Å; D284-R288 PolarHBondContact OD2-NE 3.06Å; D284-R288 IonicContact OD2-NH2 3.14Å; D284-R288 PolarHBondContact OD2-NH2 3.1Å; V285-R288 PolarHBondContact O-N 3.12Å; V286-R288 PolarHBondContact O-N 3.01Å; V286-R288 VanDerWaalsContact O-N 3.12Å |
| 289 | L | 82.6 | Confident | 84.9 | Confident | 48 Ų | 48 | 94 Ų | 94 | 25% | 0.251 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -77.6 | -24.9 | 175.8 | -89.1 | 148 | 0 | 0 | 0 | 113 | A235 L236 F240 V285 V286 R291 | A235-L289 HydrophobicContact CB-CD2 3.71Å; L236-L289 HydrophobicContact CD2-CD1 3.83Å; L236-L289 HydrophobicContact CD2-CD2 4.35Å; F240-L289 HydrophobicContact CE2-CD1 3.94Å; V285-L289 HydrophobicContact CG1-CD1 4.3Å; V285-L289 PolarHBondContact O-N 3.16Å; V286-L289 WeakPolarHBondContact O-CB 3.34Å; V286-L289 PolarHBondContact O-N 3.15Å; L289-R291 VanDerWaalsContact C-N 3.29Å; L289-R291 PolarHBondContact O-N 3.01Å |
| 290 | D | 65 | Low | 84.3 | Confident | 148 Ų | 148 | 98.6 Ų | 98.6 | 79% | 0.791 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 4.5 | -179.9 | -96.1 | -13 | 0 | 0 | 0 | 114.4 | V286 | V286-D290 PolarHBondContact O-N 3.34Š|
| 291 | R | 52.3 | Low | 83.7 | Confident | 281 Ų | 281 | 100.4 Ų | 100.4 | 100% | 1.06 | 47% | 0.47 | S | S | * | . | trans | -112.1 | 0 | 177.8 | -77.4 | -173.6 | -179.7 | -178.9 | 1.5 | 111.8 | L289 | L289-R291 VanDerWaalsContact C-N 3.29Å; L289-R291 PolarHBondContact O-N 3.01Å |
Retrieved 291 of 291 residues in 1803.6 ms
(Link to these results)