| 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 | 43.6 | Very low | 51.6 | Low | 246 Ų | 246 | 165 Ų | 165 | 100% | 1.212 | 82% | 0.818 | S | S | * | * | 0 | 114.5 | 0 | -111.6 | 163.5 | -171.5 | 0 | 0 | 107.7 | |||||
| 2 | A | 46.7 | Very low | 52.3 | Low | 91 Ų | 91 | 168.8 Ų | 168.8 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | -89.3 | 123.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A4 | A2-A4 PolarHBondContact O-N 3.37Š| ||
| 3 | I | 57.3 | Low | 52.6 | Low | 155 Ų | 155 | 168.8 Ų | 168.8 | 80% | 0.795 | 81% | 0.814 | S | S | * | * | trans | -94.6 | 84.7 | 172.3 | -53.8 | 174.3 | 0 | 0 | 0 | 106.8 | ||||
| 4 | A | 54.4 | Low | 53.2 | Low | 80 Ų | 80 | 163.6 Ų | 163.6 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | trans | -129.8 | 21.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A2 | A2-A4 PolarHBondContact O-N 3.37Š| ||
| 5 | H | 53 | Low | 53 | Low | 151 Ų | 151 | 157.5 Ų | 157.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -111.5 | -1.2 | -174.6 | -72.4 | -68.9 | 0 | 0 | 0 | 115.9 | ||||
| 6 | H | 58.6 | Low | 53.3 | Low | 165 Ų | 165 | 156.6 Ų | 156.6 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -3.9 | -176.5 | -64.4 | -56.1 | 0 | 0 | 0 | 115.7 | ||
| 7 | Y | 50.4 | Low | 53.5 | Low | 232 Ų | 232 | 159.9 Ų | 159.9 | 91% | 0.91 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -8 | 179.6 | -152 | -97.1 | 0 | 0 | 0 | 113.9 | ||
| 8 | R | 52.4 | Low | 53.7 | Low | 231 Ų | 231 | 157.1 Ų | 157.1 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -106.7 | -7 | -170.8 | -142.9 | -168.7 | 177.7 | 177.6 | 0.9 | 116.1 | ||
| 9 | D | 49.8 | Very low | 53.9 | Low | 115 Ų | 115 | 154.7 Ų | 154.7 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | -105.3 | 8.7 | -171 | -92.1 | -36 | 0 | 0 | 0 | 115.6 | Y11 | D9-Y11 VanDerWaalsContact C-N 3.29Å; D9-Y11 PolarHBondContact O-N 3.1Å | ||
| 10 | S | 51.7 | Low | 54.2 | Low | 115 Ų | 115 | 156.9 Ų | 156.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -6.2 | 173.9 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 11 | Y | 49.8 | Very low | 54.4 | Low | 234 Ų | 234 | 156.2 Ų | 156.2 | 92% | 0.918 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 6.3 | 178.8 | -97.4 | -86.6 | 0 | 0 | 0 | 114.4 | D9 H13 | D9-Y11 VanDerWaalsContact C-N 3.29Å; D9-Y11 PolarHBondContact O-N 3.1Å; Y11-H13 PolarHBondContact O-N 3.01Å |
| 12 | R | 59.8 | Low | 55.1 | Low | 211 Ų | 211 | 155.2 Ų | 155.2 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -88.3 | 109.1 | 167.8 | -97.2 | -164.7 | 172 | 162.4 | 0.2 | 110.1 | ||||
| 13 | H | 56.1 | Low | 55.3 | Low | 169 Ų | 169 | 157.1 Ų | 157.1 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 135.3 | 165.9 | -163.3 | -72.8 | 0 | 0 | 0 | 109.8 | Y11 S15 | Y11-H13 PolarHBondContact O-N 3.01Å; H13-S15 PolarHBondContact O-N 2.81Å; H13-S15 VanDerWaalsContact O-N 3.13Å |
| 14 | P | 60.5 | Low | 55.3 | Low | 96 Ų | 96 | 160.2 Ų | 160.2 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 124.6 | 172.6 | -23.2 | 32.1 | 0 | 0 | 0 | 109.2 | H16 | P14-H16 PolarHBondContact O-N 3.5Š|
| 15 | S | 50.3 | Low | 55.2 | Low | 72 Ų | 72 | 162 Ų | 162 | 50% | 0.503 | 74% | 0.742 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 125.6 | 178.3 | 20.3 | 0 | 0 | 0 | 0 | 109.6 | H13 R17 D18 | H13-S15 PolarHBondContact O-N 2.81Å; H13-S15 VanDerWaalsContact O-N 3.13Å; S15-R17 PolarHBondContact O-N 3.07Å; S15-D18 PolarHBondContact O-N 3.25Å; S15-D18 PolarHBondContact OG-OD2 3.36Å |
| 16 | H | 58.6 | Low | 55.3 | Low | 142 Ų | 142 | 163.9 Ų | 163.9 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -52.7 | -15.1 | 178.1 | -173.1 | -79 | 0 | 0 | 0 | 114 | P14 | P14-H16 PolarHBondContact O-N 3.5Å |
| 17 | R | 56.8 | Low | 54.9 | Low | 213 Ų | 213 | 158.5 Ų | 158.5 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -67.8 | -35.4 | 176.7 | -155.2 | 176 | -173.5 | -158.4 | 0.5 | 112.5 | S15 L19 R20 | S15-R17 PolarHBondContact O-N 3.07Å; R17-L19 VanDerWaalsContact C-N 3.3Å; R17-L19 PolarHBondContact O-N 2.9Å; R17-R20 PolarHBondContact O-N 3.24Å |
| 18 | D | 56.6 | Low | 55.2 | Low | 109 Ų | 109 | 155.6 Ų | 155.6 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -75.4 | -19.4 | -179.2 | -58.9 | -67.4 | 0 | 0 | 0 | 112.8 | S15 | S15-D18 PolarHBondContact O-N 3.25Å; S15-D18 PolarHBondContact OG-OD2 3.36Å |
| 19 | L | 57.9 | Low | 54.9 | Low | 113 Ų | 113 | 154 Ų | 154 | 59% | 0.592 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -71.9 | -33.5 | 173.2 | -107.4 | 76 | 0 | 0 | 0 | 112.4 | R17 | R17-L19 VanDerWaalsContact C-N 3.3Å; R17-L19 PolarHBondContact O-N 2.9Å |
| 20 | R | 60.4 | Low | 54.8 | Low | 197 Ų | 197 | 151 Ų | 151 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -71.9 | -32.2 | -177.6 | -88.5 | -153.9 | -168.6 | -101.2 | 5.4 | 113.2 | R17 R22 N23 | R17-R20 PolarHBondContact O-N 3.24Å; R20-R22 VanDerWaalsContact C-N 3.3Å; R20-R22 PolarHBondContact O-N 3.35Å; R20-N23 WeakPolarHBondContact O-CB 3.43Å; R20-N23 PolarHBondContact O-N 3.14Å |
| 21 | D | 57.1 | Low | 54.5 | Low | 143 Ų | 143 | 152.5 Ų | 152.5 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -73.5 | -20.9 | -176.7 | -104.8 | -37.5 | 0 | 0 | 0 | 113.3 | N23 | D21-N23 VanDerWaalsContact C-N 3.27Å |
| 22 | R | 57.8 | Low | 54.3 | Low | 225 Ų | 225 | 152.4 Ų | 152.4 | 85% | 0.849 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -18.9 | 169 | -163.6 | 68.7 | 70.9 | 175.9 | 4.3 | 112.6 | R20 R24 | R20-R22 VanDerWaalsContact C-N 3.3Å; R20-R22 PolarHBondContact O-N 3.35Å; R22-R24 VanDerWaalsContact C-N 3.34Å; R22-R24 PolarHBondContact O-N 2.95Å |
| 23 | N | 52.9 | Low | 53.8 | Low | 131 Ų | 131 | 150 Ų | 150 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 19.3 | -171.7 | -100.1 | 74.1 | 0 | 0 | 0 | 114.2 | R20 D21 P25 | R20-N23 WeakPolarHBondContact O-CB 3.43Å; R20-N23 PolarHBondContact O-N 3.14Å; D21-N23 VanDerWaalsContact C-N 3.27Å; N23-P25 VanDerWaalsContact O-CD 3.27Å; N23-P25 WeakPolarHBondContact O-CD 3.4Å |
| 24 | R | 56 | Low | 53.6 | Low | 220 Ų | 220 | 150.1 Ų | 150.1 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | trans | -77.1 | 115 | 169.4 | -153.6 | 174 | -168.2 | -171.4 | 2.6 | 108.6 | R22 M26 | R22-R24 VanDerWaalsContact C-N 3.34Å; R22-R24 PolarHBondContact O-N 2.95Å; R24-M26 PolarHBondContact O-N 2.9Å | ||
| 25 | P | 53.2 | Low | 53.5 | Low | 118 Ų | 118 | 152.7 Ų | 152.7 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -71.2 | 101.1 | 175.9 | 29 | -29.6 | 0 | 0 | 0 | 107.3 | N23 G27 | N23-P25 VanDerWaalsContact O-CD 3.27Å; N23-P25 WeakPolarHBondContact O-CD 3.4Å; P25-G27 PolarHBondContact O-N 3.31Å | ||
| 26 | M | 54.6 | Low | 54.3 | Low | 190 Ų | 190 | 158.2 Ų | 158.2 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | trans | -58.2 | 119.3 | 160 | -83.6 | 172 | 120.9 | 0 | 0 | 106.7 | R24 | R24-M26 PolarHBondContact O-N 2.9Š| ||
| 27 | G | 50.4 | Low | 55.2 | Low | 53 Ų | 53 | 157.5 Ų | 157.5 | 55% | 0.546 | 77% | 0.765 | S | S | . | * | trans | -66.4 | 167.5 | -167 | 0 | 0 | 0 | 0 | 0 | 114.3 | P25 | P25-G27 PolarHBondContact O-N 3.31Š| ||
| 28 | L | 56 | Low | 56.2 | Low | 170 Ų | 170 | 153 Ų | 153 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | 54.7 | 71.7 | 154.8 | -71.4 | 88.9 | 0 | 0 | 0 | 115.1 | ||||
| 29 | H | 46.8 | Very low | 57.6 | Low | 197 Ų | 197 | 155.7 Ų | 155.7 | 91% | 0.912 | 77% | 0.765 | S | S | * | * | trans | -109.2 | 112.4 | 136.1 | -80.2 | -55.5 | 0 | 0 | 0 | 107.7 | ||||
| 30 | G | 46.9 | Very low | 59.1 | Low | 52 Ų | 52 | 160.1 Ų | 160.1 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | trans | -65.4 | 164 | -161.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R32 | G30-R32 PolarHBondContact O-N 2.9Š| ||
| 31 | T | 45.8 | Very low | 60.6 | Low | 148 Ų | 148 | 154.1 Ų | 154.1 | 91% | 0.908 | 76% | 0.756 | S | S | * | * | trans | 38.1 | 43.1 | 143.3 | 62.8 | 0 | 0 | 0 | 0 | 115.3 | Q33 | T31-Q33 PolarHBondContact O-N 3.14Š| ||
| 32 | R | 46.8 | Very low | 62.3 | Low | 232 Ų | 232 | 150.9 Ų | 150.9 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | trans | -74.6 | 89.6 | 168.3 | -158.9 | 178.1 | -167.7 | -95.3 | 0.2 | 103.1 | G30 E34 | G30-R32 PolarHBondContact O-N 2.9Å; R32-E34 VanDerWaalsContact C-N 3.26Å; R32-E34 PolarHBondContact O-N 3.06Å | ||
| 33 | Q | 47.8 | Very low | 64.1 | Low | 159 Ų | 159 | 147.3 Ų | 147.3 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | -40.8 | 106.1 | 157.7 | -168.2 | 176.2 | 10.9 | 0 | 0 | 104.6 | T31 E35 | T31-Q33 PolarHBondContact O-N 3.14Å; Q33-E35 PolarHBondContact O-N 3.31Å | ||
| 34 | E | 51.8 | Low | 66.1 | Low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -62.1 | 92.1 | 163.7 | -174 | 170.5 | -170.9 | 0 | 0 | 102.3 | R32 M36 | R32-E34 VanDerWaalsContact C-N 3.26Å; R32-E34 PolarHBondContact O-N 3.06Å; E34-M36 PolarHBondContact O-N 3.3Å | ||
| 35 | E | 58.2 | Low | 68 | Low | 151 Ų | 151 | 142.3 Ų | 142.3 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -51.4 | 112.8 | 171.5 | -74.6 | -179.2 | 160.7 | 0 | 0 | 104.1 | Q33 I37 | Q33-E35 PolarHBondContact O-N 3.31Å; E35-I37 WeakPolarHBondContact O-CG1 3.44Å; E35-I37 PolarHBondContact O-N 3.31Å | ||
| 36 | M | 66.9 | Low | 70.1 | Confident | 188 Ų | 188 | 142.7 Ų | 142.7 | 93% | 0.926 | 70% | 0.701 | S | S | * | * | trans | -62.3 | 94.1 | 172.5 | -73.7 | 179.9 | 162.6 | 0 | 0 | 104.9 | E34 D38 | E34-M36 PolarHBondContact O-N 3.3Å; M36-D38 PolarHBondContact O-N 3.48Å | ||
| 37 | I | 78.2 | Confident | 72.1 | Confident | 127 Ų | 127 | 136.5 Ų | 136.5 | 65% | 0.651 | 68% | 0.68 | S | S | * | * | trans | -62.8 | 114.1 | -179.4 | -59.9 | 179.5 | 0 | 0 | 0 | 105.3 | E35 H39 | E35-I37 WeakPolarHBondContact O-CG1 3.44Å; E35-I37 PolarHBondContact O-N 3.31Å; I37-H39 PolarHBondContact O-CE1 3.29Å; I37-H39 VanDerWaalsContact O-CE1 3.31Å; I37-H39 PolarHBondContact O-N 3.22Å; I37-H39 PolarHBondContact O-ND1 2.88Å | ||
| 38 | D | 78.7 | Confident | 74.3 | Confident | 117 Ų | 117 | 139.1 Ų | 139.1 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | trans | -69.2 | 116.6 | 170.5 | -169.7 | -0 | 0 | 0 | 0 | 107.3 | M36 R40 | M36-D38 PolarHBondContact O-N 3.48Å; D38-R40 PolarHBondContact O-N 3.09Å; D38-R40 VanDerWaalsContact OD1-CB 3.3Å; D38-R40 WeakPolarHBondContact OD1-CB 3.45Å; D38-R40 VanDerWaalsContact OD1-CG 3.24Å; D38-R40 WeakPolarHBondContact OD1-CG 3.41Å; D38-R40 PolarHBondContact OD1-N 3.47Å | ||
| 39 | H | 86.3 | Confident | 76.3 | Confident | 166 Ų | 166 | 135.7 Ų | 135.7 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | trans | -81.1 | -1.3 | -179.9 | -66 | 66.2 | 0 | 0 | 0 | 111.6 | I37 L41 | I37-H39 PolarHBondContact O-CE1 3.29Å; I37-H39 VanDerWaalsContact O-CE1 3.31Å; I37-H39 PolarHBondContact O-N 3.22Å; I37-H39 PolarHBondContact O-ND1 2.88Å; H39-L41 PolarHBondContact O-N 2.95Å | ||
| 40 | R | 89.4 | Confident | 78.7 | Confident | 207 Ų | 207 | 134 Ų | 134 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | trans | -80.3 | 103.8 | 177.6 | -62.2 | -178.9 | 71.9 | -179.2 | 1.5 | 109.8 | D38 | D38-R40 PolarHBondContact O-N 3.09Å; D38-R40 VanDerWaalsContact OD1-CB 3.3Å; D38-R40 WeakPolarHBondContact OD1-CB 3.45Å; D38-R40 VanDerWaalsContact OD1-CG 3.24Å; D38-R40 WeakPolarHBondContact OD1-CG 3.41Å; D38-R40 PolarHBondContact OD1-N 3.47Å | ||
| 41 | L | 90.7 | Very high | 81.2 | Confident | 70 Ų | 70 | 139 Ų | 139 | 37% | 0.366 | 65% | 0.65 | S | S | . | * | trans | -75.5 | 138.6 | 170.5 | -60.3 | 172.5 | 0 | 0 | 0 | 110.2 | H39 E45 W46 E49 | H39-L41 PolarHBondContact O-N 2.95Å; L41-E45 HydrophobicContact CB-CB 4.13Å; L41-E45 HydrophobicContact CD2-CB 4.01Å; L41-W46 VanDerWaalsContact CB-CD1 3.4Å; L41-W46 HydrophobicContact CB-CD2 4.5Å; L41-W46 HydrophobicContact CB-CG 3.99Å; L41-W46 HydrophobicContact CD1-CD2 4.16Å; L41-W46 HydrophobicContact CD1-CG 4.31Å; L41-E49 HydrophobicContact CD1-CG 4.17Å | ||
| 42 | T | 93.7 | Very high | 83.7 | Confident | 75 Ų | 75 | 136.4 Ų | 136.4 | 46% | 0.46 | 63% | 0.627 | S | S | . | * | trans | -68.6 | 161.1 | 165.4 | 62 | 0 | 0 | 0 | 0 | 110.6 | R44 E45 W46 | T42-R44 PolarHBondContact O-N 3.25Å; T42-R44 VanDerWaalsContact O-N 3.11Å; T42-E45 WeakPolarHBondContact CB-OE2 3.37Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.48Å; T42-E45 PolarHBondContact N-OE2 3.09Å; T42-E45 PolarHBondContact O-N 3.41Å; T42-E45 VanDerWaalsContact O-N 3.08Å; T42-E45 WeakPolarHBondContact OG1-CG 3.48Å; T42-E45 PolarHBondContact OG1-N 3.07Å; T42-E45 PolarHBondContact OG1-OE2 3.02Å; T42-W46 PolarHBondContact O-N 3.48Å | ||
| 43 | D | 95.1 | Very high | 86.1 | Confident | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56.2 | -31.8 | 178.8 | -65.8 | -34.9 | 0 | 0 | 0 | 112.9 | A47 | D43-A47 PolarHBondContact O-N 2.97Å; D43-A47 VanDerWaalsContact O-N 3.14Å |
| 44 | R | 95.6 | Very high | 88.6 | Confident | 173 Ų | 173 | 126.1 Ų | 126.1 | 65% | 0.653 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.9 | -48.2 | 175.8 | -178.1 | 178.6 | 64.8 | 136.8 | 2.4 | 111.9 | T42 W46 A47 E48 | T42-R44 PolarHBondContact O-N 3.25Å; T42-R44 VanDerWaalsContact O-N 3.11Å; R44-W46 VanDerWaalsContact C-N 3.3Å; R44-W46 PolarHBondContact O-N 3.32Å; R44-A47 PolarHBondContact O-N 3.12Å; R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.47Å |
| 45 | E | 95.3 | Very high | 90.8 | Very high | 73 Ų | 73 | 123.2 Ų | 123.2 | 34% | 0.341 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -37.5 | 178.7 | -68.7 | 159.6 | 152.1 | 0 | 0 | 110.8 | L41 T42 A47 E48 E49 | L41-E45 HydrophobicContact CB-CB 4.13Å; L41-E45 HydrophobicContact CD2-CB 4.01Å; T42-E45 WeakPolarHBondContact CB-OE2 3.37Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.48Å; T42-E45 PolarHBondContact N-OE2 3.09Å; T42-E45 PolarHBondContact O-N 3.41Å; T42-E45 VanDerWaalsContact O-N 3.08Å; T42-E45 WeakPolarHBondContact OG1-CG 3.48Å; T42-E45 PolarHBondContact OG1-N 3.07Å; T42-E45 PolarHBondContact OG1-OE2 3.02Å; E45-A47 VanDerWaalsContact C-N 3.35Å; E45-A47 PolarHBondContact O-N 3.3Å; E45-E48 PolarHBondContact O-N 3.19Å; E45-E49 WeakPolarHBondContact O-CB 3.49Å; E45-E49 WeakPolarHBondContact O-CG 3.36Å; E45-E49 PolarHBondContact O-N 3.36Å |
| 46 | W | 96.9 | Very high | 92.7 | Very high | 125 Ų | 125 | 119.7 Ų | 119.7 | 47% | 0.473 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -56.3 | -47.2 | 170.6 | -97.3 | 109.6 | 0 | 0 | 0 | 112.3 | L41 T42 R44 E48 E49 W50 | L41-W46 VanDerWaalsContact CB-CD1 3.4Å; L41-W46 HydrophobicContact CB-CD2 4.5Å; L41-W46 HydrophobicContact CB-CG 3.99Å; L41-W46 HydrophobicContact CD1-CD2 4.16Å; L41-W46 HydrophobicContact CD1-CG 4.31Å; T42-W46 PolarHBondContact O-N 3.48Å; R44-W46 VanDerWaalsContact C-N 3.3Å; R44-W46 PolarHBondContact O-N 3.32Å; W46-E48 VanDerWaalsContact C-N 3.33Å; W46-E48 PolarHBondContact O-N 2.99Å; W46-E49 PolarHBondContact O-N 3.33Å; W46-W50 AromaticContact CE3-CD1 3.68Å; W46-W50 AromaticContact CE3-NE1 3.23Å; W46-W50 AromaticContact CZ3-CE2 3.95Å; W46-W50 HydrophobicContact CZ3-CZ2 4.18Å; W46-W50 AromaticContact CZ3-NE1 3.38Å; W46-W50 PolarHBondContact O-N 2.9Å |
| 47 | A | 97.1 | Very high | 94.2 | Very high | 61 Ų | 61 | 115.8 Ų | 115.8 | 50% | 0.504 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D43 R44 E45 K51 | D43-A47 PolarHBondContact O-N 2.97Å; D43-A47 VanDerWaalsContact O-N 3.14Å; R44-A47 PolarHBondContact O-N 3.12Å; E45-A47 VanDerWaalsContact C-N 3.35Å; E45-A47 PolarHBondContact O-N 3.3Å; A47-K51 WeakPolarHBondContact O-CB 3.34Å; A47-K51 PolarHBondContact O-N 2.87Å |
| 48 | E | 97.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 113.1 Ų | 113.1 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.9 | -72.1 | 175.3 | -168.5 | 0 | 0 | 111.9 | R44 E45 W46 K51 H52 | R44-E48 WeakPolarHBondContact O-CG 3.42Å; R44-E48 PolarHBondContact O-N 3.47Å; E45-E48 PolarHBondContact O-N 3.19Å; W46-E48 VanDerWaalsContact C-N 3.33Å; W46-E48 PolarHBondContact O-N 2.99Å; E48-K51 CarbonylContact O-C 3.6Å; E48-K51 WeakPolarHBondContact O-CB 3.46Å; E48-K51 PolarHBondContact O-N 2.87Å; E48-H52 WeakPolarHBondContact O-CB 3.47Å; E48-H52 PolarHBondContact O-N 3.23Å |
| 49 | E | 96.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 110 Ų | 110 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 176.2 | -75.4 | -65.1 | 103.8 | 0 | 0 | 111.9 | L41 E45 W46 K51 H52 L53 | L41-E49 HydrophobicContact CD1-CG 4.17Å; E45-E49 WeakPolarHBondContact O-CB 3.49Å; E45-E49 WeakPolarHBondContact O-CG 3.36Å; E45-E49 PolarHBondContact O-N 3.36Å; W46-E49 PolarHBondContact O-N 3.33Å; E49-K51 VanDerWaalsContact C-N 3.32Å; E49-K51 PolarHBondContact O-N 3.12Å; E49-H52 WeakPolarHBondContact O-CB 3.33Å; E49-H52 PolarHBondContact O-N 2.93Å; E49-H52 VanDerWaalsContact O-N 3.14Å; E49-L53 WeakPolarHBondContact O-CG 3.35Å; E49-L53 PolarHBondContact O-N 3.27Å |
| 50 | W | 98.1 | Very high | 96.8 | Very high | 161 Ų | 161 | 107 Ų | 107 | 61% | 0.61 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -42.4 | 174.1 | -83.6 | 116.4 | 0 | 0 | 0 | 112.3 | W46 H52 L53 D54 | W46-W50 AromaticContact CE3-CD1 3.68Å; W46-W50 AromaticContact CE3-NE1 3.23Å; W46-W50 AromaticContact CZ3-CE2 3.95Å; W46-W50 HydrophobicContact CZ3-CZ2 4.18Å; W46-W50 AromaticContact CZ3-NE1 3.38Å; W46-W50 PolarHBondContact O-N 2.9Å; W50-H52 VanDerWaalsContact C-N 3.32Å; W50-L53 HydrophobicContact CE3-CD1 4.16Å; W50-L53 HydrophobicContact CZ3-CD1 4.31Å; W50-L53 PolarHBondContact O-N 2.92Å; W50-D54 PolarHBondContact O-N 3.37Å |
| 51 | K | 98.3 | Very high | 97.2 | Very high | 158 Ų | 158 | 102.6 Ų | 102.6 | 69% | 0.687 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -37.9 | 174.3 | -178.3 | -176.5 | 174.9 | -174.6 | 0 | 111.5 | A47 E48 E49 D54 H55 | A47-K51 WeakPolarHBondContact O-CB 3.34Å; A47-K51 PolarHBondContact O-N 2.87Å; E48-K51 CarbonylContact O-C 3.6Å; E48-K51 WeakPolarHBondContact O-CB 3.46Å; E48-K51 PolarHBondContact O-N 2.87Å; E49-K51 VanDerWaalsContact C-N 3.32Å; E49-K51 PolarHBondContact O-N 3.12Å; K51-D54 PolarHBondContact O-N 3.34Å; K51-H55 WeakPolarHBondContact O-CB 3.29Å; K51-H55 PolarHBondContact O-N 3.47Å |
| 52 | H | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 102.3 Ų | 102.3 | 43% | 0.431 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 176.7 | -174.1 | 63.6 | 0 | 0 | 0 | 111.1 | E48 E49 W50 H55 L56 | E48-H52 WeakPolarHBondContact O-CB 3.47Å; E48-H52 PolarHBondContact O-N 3.23Å; E49-H52 WeakPolarHBondContact O-CB 3.33Å; E49-H52 PolarHBondContact O-N 2.93Å; E49-H52 VanDerWaalsContact O-N 3.14Å; W50-H52 VanDerWaalsContact C-N 3.32Å; H52-H55 PolarHBondContact O-N 2.81Å; H52-L56 WeakPolarHBondContact NE2-CD1 3.45Å; H52-L56 WeakPolarHBondContact O-CG 3.32Å; H52-L56 PolarHBondContact O-N 3.12Å |
| 53 | L | 98.7 | Very high | 97.8 | Very high | 82 Ų | 82 | 104.1 Ų | 104.1 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 174.4 | -71.9 | 174.7 | 0 | 0 | 0 | 111.9 | E49 W50 H55 L56 L57 | E49-L53 WeakPolarHBondContact O-CG 3.35Å; E49-L53 PolarHBondContact O-N 3.27Å; W50-L53 HydrophobicContact CE3-CD1 4.16Å; W50-L53 HydrophobicContact CZ3-CD1 4.31Å; W50-L53 PolarHBondContact O-N 2.92Å; L53-H55 VanDerWaalsContact C-N 3.31Å; L53-H55 PolarHBondContact O-N 3.36Å; L53-L56 PolarHBondContact O-N 2.7Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.31Å |
| 54 | D | 98.6 | Very high | 98 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 175.3 | 179.8 | 76.7 | 0 | 0 | 0 | 111.4 | W50 K51 L56 L57 N58 | W50-D54 PolarHBondContact O-N 3.37Å; K51-D54 PolarHBondContact O-N 3.34Å; D54-L56 PolarHBondContact O-N 3.5Å; D54-L57 PolarHBondContact O-N 3.02Å; D54-N58 WeakPolarHBondContact O-CB 3.4Å; D54-N58 VanDerWaalsContact O-CG 3.31Å; D54-N58 PolarHBondContact O-N 2.97Å; D54-N58 PolarHBondContact O-ND2 3.19Å; D54-N58 PolarHBondContact OD2-ND2 3.11Å |
| 55 | H | 98.6 | Very high | 98.2 | Very high | 111 Ų | 111 | 95.2 Ų | 95.2 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.2 | -175.8 | 64.5 | 0 | 0 | 0 | 112.9 | K51 H52 L53 N58 C59 | K51-H55 WeakPolarHBondContact O-CB 3.29Å; K51-H55 PolarHBondContact O-N 3.47Å; H52-H55 PolarHBondContact O-N 2.81Å; L53-H55 VanDerWaalsContact C-N 3.31Å; L53-H55 PolarHBondContact O-N 3.36Å; H55-N58 PolarHBondContact O-N 2.73Å; H55-C59 PolarHBondContact O-N 3.29Å; H55-C59 PolarHBondContact O-SG 3.38Å |
| 56 | L | 98.8 | Very high | 98.3 | Very high | 76 Ų | 76 | 96.8 Ų | 96.8 | 40% | 0.398 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.8 | -74.1 | 177.7 | 0 | 0 | 0 | 111.8 | H52 L53 D54 N58 C59 I60 | H52-L56 WeakPolarHBondContact NE2-CD1 3.45Å; H52-L56 WeakPolarHBondContact O-CG 3.32Å; H52-L56 PolarHBondContact O-N 3.12Å; L53-L56 PolarHBondContact O-N 2.7Å; D54-L56 PolarHBondContact O-N 3.5Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.24Å; L56-C59 WeakPolarHBondContact O-CB 3.27Å; L56-C59 PolarHBondContact O-N 3.22Å; L56-I60 WeakPolarHBondContact O-CG1 3.44Å; L56-I60 PolarHBondContact O-N 2.97Å |
| 57 | L | 98.8 | Very high | 98.4 | Very high | 106 Ų | 106 | 94.7 Ų | 94.7 | 56% | 0.555 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 176.5 | -68.4 | 175.7 | 0 | 0 | 0 | 111.1 | L53 D54 C59 I60 M61 | L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.31Å; D54-L57 PolarHBondContact O-N 3.02Å; L57-C59 VanDerWaalsContact C-N 3.33Å; L57-C59 PolarHBondContact O-N 3.41Å; L57-I60 PolarHBondContact O-N 3.26Å; L57-M61 WeakPolarHBondContact O-CG 3.46Å; L57-M61 PolarHBondContact O-N 3.13Å |
| 58 | N | 98.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 99 Ų | 99 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 173.9 | -76 | -43.5 | 0 | 0 | 0 | 112.3 | D54 H55 L56 M61 D62 | D54-N58 WeakPolarHBondContact O-CB 3.4Å; D54-N58 VanDerWaalsContact O-CG 3.31Å; D54-N58 PolarHBondContact O-N 2.97Å; D54-N58 PolarHBondContact O-ND2 3.19Å; D54-N58 PolarHBondContact OD2-ND2 3.11Å; H55-N58 PolarHBondContact O-N 2.73Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.24Å; N58-M61 PolarHBondContact O-N 3.09Å; N58-M61 WeakPolarHBondContact OD1-CE 3.45Å; N58-D62 WeakPolarHBondContact O-CB 3.38Å; N58-D62 PolarHBondContact O-N 3.34Å |
| 59 | C | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 100.6 Ų | 100.6 | 34% | 0.338 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 174.6 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | H55 L56 L57 D62 M63 | H55-C59 PolarHBondContact O-N 3.29Å; H55-C59 PolarHBondContact O-SG 3.38Å; L56-C59 WeakPolarHBondContact O-CB 3.27Å; L56-C59 PolarHBondContact O-N 3.22Å; L57-C59 VanDerWaalsContact C-N 3.33Å; L57-C59 PolarHBondContact O-N 3.41Å; C59-D62 PolarHBondContact O-N 2.96Å; C59-M63 VanDerWaalsContact O-CG 3.28Å; C59-M63 WeakPolarHBondContact O-CG 3.41Å; C59-M63 PolarHBondContact O-N 3.49Å |
| 60 | I | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 99 Ų | 99 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 176.6 | -68.6 | 165.2 | 0 | 0 | 0 | 110.1 | L56 L57 D62 M63 V64 | L56-I60 WeakPolarHBondContact O-CG1 3.44Å; L56-I60 PolarHBondContact O-N 2.97Å; L57-I60 PolarHBondContact O-N 3.26Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.94Å; I60-M63 PolarHBondContact O-N 3.09Å; I60-V64 WeakPolarHBondContact O-CG2 3.42Å; I60-V64 PolarHBondContact O-N 2.73Å |
| 61 | M | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 95.4 Ų | 95.4 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.2 | -42.8 | 177.9 | -70.8 | -169.5 | -62.1 | 0 | 0 | 112 | L57 N58 V64 E65 | L57-M61 WeakPolarHBondContact O-CG 3.46Å; L57-M61 PolarHBondContact O-N 3.13Å; N58-M61 PolarHBondContact O-N 3.09Å; N58-M61 WeakPolarHBondContact OD1-CE 3.45Å; M61-V64 PolarHBondContact O-N 2.82Å; M61-E65 WeakPolarHBondContact O-CB 3.07Å; M61-E65 PolarHBondContact O-N 3.5Å |
| 62 | D | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 91.1 Ų | 91.1 | 35% | 0.348 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.2 | -179.6 | 56.8 | 0 | 0 | 0 | 112.3 | N58 C59 I60 E65 K66 | N58-D62 WeakPolarHBondContact O-CB 3.38Å; N58-D62 PolarHBondContact O-N 3.34Å; C59-D62 PolarHBondContact O-N 2.96Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.94Å; D62-E65 PolarHBondContact O-N 2.94Å; D62-K66 WeakPolarHBondContact O-CB 3.35Å; D62-K66 VanDerWaalsContact O-CG 3.3Å; D62-K66 WeakPolarHBondContact O-CG 3.43Å; D62-K66 PolarHBondContact O-N 3.36Å; D62-K66 WeakPolarHBondContact OD2-CE 3.3Å; D62-K66 IonicContact OD2-NZ 3.5Å; D62-K66 PolarHBondContact OD2-NZ 2.91Å |
| 63 | M | 98.9 | Very high | 98.8 | Very high | 113 Ų | 113 | 90.9 Ų | 90.9 | 56% | 0.557 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 175.4 | -69.4 | -63.5 | 170.3 | 0 | 0 | 112.1 | C59 I60 E65 K66 T67 | C59-M63 VanDerWaalsContact O-CG 3.28Å; C59-M63 WeakPolarHBondContact O-CG 3.41Å; C59-M63 PolarHBondContact O-N 3.49Å; I60-M63 PolarHBondContact O-N 3.09Å; M63-E65 VanDerWaalsContact C-N 3.34Å; M63-K66 PolarHBondContact O-N 3Å; M63-K66 HydrophobicContact SD-CD 4.44Å; M63-T67 WeakPolarHBondContact O-CB 3.49Å; M63-T67 PolarHBondContact O-N 3.46Å; M63-T67 PolarHBondContact O-OG1 3.44Å |
| 64 | V | 98.9 | Very high | 98.8 | Very high | 94 Ų | 94 | 91.9 Ų | 91.9 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.4 | -44.3 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | I60 M61 T67 R68 | I60-V64 WeakPolarHBondContact O-CG2 3.42Å; I60-V64 PolarHBondContact O-N 2.73Å; M61-V64 PolarHBondContact O-N 2.82Å; V64-T67 WeakPolarHBondContact O-CB 3.46Å; V64-T67 PolarHBondContact O-N 2.94Å; V64-R68 PolarHBondContact O-N 2.9Å |
| 65 | E | 98.8 | Very high | 98.8 | Very high | 43 Ų | 43 | 95.2 Ų | 95.2 | 20% | 0.201 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.8 | -40.3 | -179.6 | 179.3 | 58.9 | -166.1 | 0 | 0 | 112.3 | M61 D62 M63 T67 R68 R69 | M61-E65 WeakPolarHBondContact O-CB 3.07Å; M61-E65 PolarHBondContact O-N 3.5Å; D62-E65 PolarHBondContact O-N 2.94Å; M63-E65 VanDerWaalsContact C-N 3.34Å; E65-T67 VanDerWaalsContact C-N 3.3Å; E65-T67 PolarHBondContact O-N 3.23Å; E65-R68 VanDerWaalsContact CD-NH2 3.3Å; E65-R68 WeakPolarHBondContact O-CB 3.06Å; E65-R68 PolarHBondContact O-N 3.23Å; E65-R68 IonicContact OE1-CZ 3.09Å; E65-R68 IonicContact OE1-NE 2.64Å; E65-R68 PolarHBondContact OE1-NE 2.91Å; E65-R68 IonicContact OE1-NH2 2.73Å; E65-R68 PolarHBondContact OE1-NH2 3.39Å; E65-R68 IonicContact OE2-CZ 3.91Å; E65-R68 VanDerWaalsContact OE2-CZ 3.24Å; E65-R68 IonicContact OE2-NE 2.7Å; E65-R68 PolarHBondContact OE2-NE 2.86Å; E65-R68 IonicContact OE2-NH2 3.52Å; E65-R68 PolarHBondContact OE2-NH2 2.64Å; E65-R68 VanDerWaalsContact OE2-NH2 3.09Å; E65-R69 WeakPolarHBondContact O-CG 3.4Å; E65-R69 PolarHBondContact O-N 2.99Å; E65-R69 IonicContact OE1-CZ 3.04Å; E65-R69 IonicContact OE1-NE 3.12Å; E65-R69 PolarHBondContact OE1-NE 3.4Å; E65-R69 VanDerWaalsContact OE1-NE 3.12Å; E65-R69 IonicContact OE1-NH1 3.24Å; E65-R69 IonicContact OE1-NH2 2.73Å; E65-R69 PolarHBondContact OE1-NH2 3.4Å |
| 66 | K | 98.6 | Very high | 98.8 | Very high | 105 Ų | 105 | 98 Ų | 98 | 46% | 0.457 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 171.1 | -78 | 169.4 | 174.4 | 164.9 | 0 | 111.2 | D62 M63 R69 S70 | D62-K66 WeakPolarHBondContact O-CB 3.35Å; D62-K66 VanDerWaalsContact O-CG 3.3Å; D62-K66 WeakPolarHBondContact O-CG 3.43Å; D62-K66 PolarHBondContact O-N 3.36Å; D62-K66 WeakPolarHBondContact OD2-CE 3.3Å; D62-K66 IonicContact OD2-NZ 3.5Å; D62-K66 PolarHBondContact OD2-NZ 2.91Å; M63-K66 PolarHBondContact O-N 3Å; M63-K66 HydrophobicContact SD-CD 4.44Å; K66-R69 PolarHBondContact O-N 2.94Å; K66-S70 WeakPolarHBondContact O-CB 3.4Å; K66-S70 PolarHBondContact O-N 2.96Å |
| 67 | T | 98.9 | Very high | 98.8 | Very high | 81 Ų | 81 | 97.5 Ų | 97.5 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.2 | -57.5 | 0 | 0 | 0 | 0 | 111 | M63 V64 E65 R69 S70 L71 | M63-T67 WeakPolarHBondContact O-CB 3.49Å; M63-T67 PolarHBondContact O-N 3.46Å; M63-T67 PolarHBondContact O-OG1 3.44Å; V64-T67 WeakPolarHBondContact O-CB 3.46Å; V64-T67 PolarHBondContact O-N 2.94Å; E65-T67 VanDerWaalsContact C-N 3.3Å; E65-T67 PolarHBondContact O-N 3.23Å; T67-R69 VanDerWaalsContact C-N 3.34Å; T67-R69 PolarHBondContact O-N 2.94Å; T67-S70 WeakPolarHBondContact O-CB 3.38Å; T67-S70 PolarHBondContact O-N 3.24Å; T67-L71 HydrophobicContact CG2-CD1 4.24Å; T67-L71 HydrophobicContact CG2-CG 4.46Å; T67-L71 WeakPolarHBondContact O-CG 3.4Å; T67-L71 PolarHBondContact O-N 3.26Å |
| 68 | R | 98.8 | Very high | 98.8 | Very high | 153 Ų | 153 | 98.5 Ų | 98.5 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -56.8 | -46.3 | 176.6 | -172.1 | 178.9 | 74 | 127.3 | 0.7 | 112 | V64 E65 L71 T72 | V64-R68 PolarHBondContact O-N 2.9Å; E65-R68 VanDerWaalsContact CD-NH2 3.3Å; E65-R68 WeakPolarHBondContact O-CB 3.06Å; E65-R68 PolarHBondContact O-N 3.23Å; E65-R68 IonicContact OE1-CZ 3.09Å; E65-R68 IonicContact OE1-NE 2.64Å; E65-R68 PolarHBondContact OE1-NE 2.91Å; E65-R68 IonicContact OE1-NH2 2.73Å; E65-R68 PolarHBondContact OE1-NH2 3.39Å; E65-R68 IonicContact OE2-CZ 3.91Å; E65-R68 VanDerWaalsContact OE2-CZ 3.24Å; E65-R68 IonicContact OE2-NE 2.7Å; E65-R68 PolarHBondContact OE2-NE 2.86Å; E65-R68 IonicContact OE2-NH2 3.52Å; E65-R68 PolarHBondContact OE2-NH2 2.64Å; E65-R68 VanDerWaalsContact OE2-NH2 3.09Å; R68-L71 PolarHBondContact O-N 3.28Å; R68-T72 PolarHBondContact O-N 2.78Å; R68-T72 PolarHBondContact O-OG1 2.97Å |
| 69 | R | 98.8 | Very high | 98.7 | Very high | 141 Ų | 141 | 99.7 Ų | 99.7 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 177 | -69.7 | 177.9 | -175.4 | 131.1 | 7 | 112 | E65 K66 T67 L71 T72 V73 | E65-R69 WeakPolarHBondContact O-CG 3.4Å; E65-R69 PolarHBondContact O-N 2.99Å; E65-R69 IonicContact OE1-CZ 3.04Å; E65-R69 IonicContact OE1-NE 3.12Å; E65-R69 PolarHBondContact OE1-NE 3.4Å; E65-R69 VanDerWaalsContact OE1-NE 3.12Å; E65-R69 IonicContact OE1-NH1 3.24Å; E65-R69 IonicContact OE1-NH2 2.73Å; E65-R69 PolarHBondContact OE1-NH2 3.4Å; K66-R69 PolarHBondContact O-N 2.94Å; T67-R69 VanDerWaalsContact C-N 3.34Å; T67-R69 PolarHBondContact O-N 2.94Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.36Å; R69-T72 WeakPolarHBondContact O-CB 3.44Å; R69-T72 PolarHBondContact O-N 2.93Å; R69-T72 VanDerWaalsContact O-N 3.11Å; R69-V73 PolarHBondContact O-N 3.46Å |
| 70 | S | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 99.7 Ų | 99.7 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 176 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | K66 T67 T72 V73 L74 | K66-S70 WeakPolarHBondContact O-CB 3.4Å; K66-S70 PolarHBondContact O-N 2.96Å; T67-S70 WeakPolarHBondContact O-CB 3.38Å; T67-S70 PolarHBondContact O-N 3.24Å; S70-T72 VanDerWaalsContact C-N 3.27Å; S70-T72 PolarHBondContact O-N 3.23Å; S70-V73 WeakPolarHBondContact O-CB 3.28Å; S70-V73 PolarHBondContact O-N 2.88Å; S70-V73 VanDerWaalsContact O-N 3.09Å; S70-L74 PolarHBondContact O-N 3.25Å |
| 71 | L | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 99.8 Ų | 99.8 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -32.5 | 177 | -71.2 | 174 | 0 | 0 | 0 | 113.1 | T67 R68 R69 L74 R75 | T67-L71 HydrophobicContact CG2-CD1 4.24Å; T67-L71 HydrophobicContact CG2-CG 4.46Å; T67-L71 WeakPolarHBondContact O-CG 3.4Å; T67-L71 PolarHBondContact O-N 3.26Å; R68-L71 PolarHBondContact O-N 3.28Å; R69-L71 VanDerWaalsContact C-N 3.32Å; R69-L71 PolarHBondContact O-N 3.36Å; L71-L74 HydrophobicContact CD2-CD1 4.32Å; L71-L74 PolarHBondContact O-N 3.24Å; L71-R75 WeakPolarHBondContact O-CB 3.36Å; L71-R75 VanDerWaalsContact O-CG 3.27Å; L71-R75 WeakPolarHBondContact O-CG 3.4Å; L71-R75 PolarHBondContact O-N 2.93Å |
| 72 | T | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 100.5 Ų | 100.5 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | R68 R69 S70 R76 | R68-T72 PolarHBondContact O-N 2.78Å; R68-T72 PolarHBondContact O-OG1 2.97Å; R69-T72 WeakPolarHBondContact O-CB 3.44Å; R69-T72 PolarHBondContact O-N 2.93Å; R69-T72 VanDerWaalsContact O-N 3.11Å; S70-T72 VanDerWaalsContact C-N 3.27Å; S70-T72 PolarHBondContact O-N 3.23Å; T72-R76 WeakPolarHBondContact O-CG 3.49Å; T72-R76 PolarHBondContact O-N 3.34Å |
| 73 | V | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 103.1 Ų | 103.1 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | R69 S70 R75 R76 C77 | R69-V73 PolarHBondContact O-N 3.46Å; S70-V73 WeakPolarHBondContact O-CB 3.28Å; S70-V73 PolarHBondContact O-N 2.88Å; S70-V73 VanDerWaalsContact O-N 3.09Å; V73-R75 VanDerWaalsContact C-N 3.31Å; V73-R75 PolarHBondContact O-N 2.93Å; V73-R76 PolarHBondContact O-N 2.88Å; V73-R76 VanDerWaalsContact O-N 3.13Å; V73-C77 PolarHBondContact O-N 3.34Å; V73-C77 PolarHBondContact O-SG 2.96Å; V73-C77 VanDerWaalsContact O-SG 3.36Å |
| 74 | L | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 102.9 Ų | 102.9 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 179.2 | -71.5 | 172 | 0 | 0 | 0 | 112.7 | S70 L71 C77 Q78 | S70-L74 PolarHBondContact O-N 3.25Å; L71-L74 HydrophobicContact CD2-CD1 4.32Å; L71-L74 PolarHBondContact O-N 3.24Å; L74-C77 PolarHBondContact O-N 2.97Å; L74-Q78 WeakPolarHBondContact O-CB 3.34Å; L74-Q78 PolarHBondContact O-N 3.42Å |
| 75 | R | 98.7 | Very high | 98.6 | Very high | 163 Ų | 163 | 103.5 Ų | 103.5 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 175.6 | -76.2 | 177 | -176.2 | -144.5 | 1.8 | 112.2 | L71 V73 Q78 E79 | L71-R75 WeakPolarHBondContact O-CB 3.36Å; L71-R75 VanDerWaalsContact O-CG 3.27Å; L71-R75 WeakPolarHBondContact O-CG 3.4Å; L71-R75 PolarHBondContact O-N 2.93Å; V73-R75 VanDerWaalsContact C-N 3.31Å; V73-R75 PolarHBondContact O-N 2.93Å; R75-Q78 WeakPolarHBondContact O-CB 3.36Å; R75-Q78 PolarHBondContact O-N 3.36Å; R75-E79 WeakPolarHBondContact O-CG 3.42Å; R75-E79 PolarHBondContact O-N 3.2Å |
| 76 | R | 98.7 | Very high | 98.6 | Very high | 171 Ų | 171 | 104 Ų | 104 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 176.9 | -70.8 | 177.3 | -179.8 | -177.9 | -0 | 112.1 | T72 V73 Q78 E79 A80 | T72-R76 WeakPolarHBondContact O-CG 3.49Å; T72-R76 PolarHBondContact O-N 3.34Å; V73-R76 PolarHBondContact O-N 2.88Å; V73-R76 VanDerWaalsContact O-N 3.13Å; R76-Q78 VanDerWaalsContact C-N 3.35Å; R76-E79 PolarHBondContact O-N 3.2Å; R76-A80 PolarHBondContact O-N 3.45Å |
| 77 | C | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 104.4 Ų | 104.4 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 173.6 | -66 | 0 | 0 | 0 | 0 | 110.9 | V73 L74 E79 A80 D81 | V73-C77 PolarHBondContact O-N 3.34Å; V73-C77 PolarHBondContact O-SG 2.96Å; V73-C77 VanDerWaalsContact O-SG 3.36Å; L74-C77 PolarHBondContact O-N 2.97Å; C77-E79 VanDerWaalsContact C-N 3.32Å; C77-E79 PolarHBondContact O-N 3.48Å; C77-A80 PolarHBondContact O-N 3.14Å; C77-D81 VanDerWaalsContact O-CG 3.23Å; C77-D81 PolarHBondContact O-N 3.41Å |
| 78 | Q | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 107 Ų | 107 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.8 | -40.8 | 177.3 | -171.4 | -147.1 | -14.9 | 0 | 0 | 112.6 | L74 R75 R76 R82 | L74-Q78 WeakPolarHBondContact O-CB 3.34Å; L74-Q78 PolarHBondContact O-N 3.42Å; R75-Q78 WeakPolarHBondContact O-CB 3.36Å; R75-Q78 PolarHBondContact O-N 3.36Å; R76-Q78 VanDerWaalsContact C-N 3.35Å; Q78-R82 WeakPolarHBondContact O-CB 3.42Å; Q78-R82 PolarHBondContact O-N 2.92Å |
| 79 | E | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 104.3 Ų | 104.3 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.9 | -75.5 | 166.7 | -174.6 | 0 | 0 | 111.5 | R75 R76 C77 R82 E83 | R75-E79 WeakPolarHBondContact O-CG 3.42Å; R75-E79 PolarHBondContact O-N 3.2Å; R76-E79 PolarHBondContact O-N 3.2Å; C77-E79 VanDerWaalsContact C-N 3.32Å; C77-E79 PolarHBondContact O-N 3.48Å; E79-R82 PolarHBondContact O-N 3.05Å; E79-E83 WeakPolarHBondContact O-CG 3.42Å; E79-E83 PolarHBondContact O-N 2.79Å |
| 80 | A | 98.5 | Very high | 98.3 | Very high | 50 Ų | 50 | 104.9 Ų | 104.9 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R76 C77 R82 E83 E84 | R76-A80 PolarHBondContact O-N 3.45Å; C77-A80 PolarHBondContact O-N 3.14Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 3.46Å; A80-E83 PolarHBondContact O-N 3.26Å; A80-E83 VanDerWaalsContact O-N 3.12Å; A80-E84 PolarHBondContact O-N 3.43Å |
| 81 | D | 98.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 108.5 Ų | 108.5 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -40.5 | 177.3 | -66.6 | -15 | 0 | 0 | 0 | 111.2 | C77 E84 L85 | C77-D81 VanDerWaalsContact O-CG 3.23Å; C77-D81 PolarHBondContact O-N 3.41Å; D81-E84 PolarHBondContact O-N 3.26Å; D81-L85 WeakPolarHBondContact O-CB 3.38Å; D81-L85 PolarHBondContact O-N 3.48Å |
| 82 | R | 98.4 | Very high | 97.8 | Very high | 130 Ų | 130 | 111.8 Ų | 111.8 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.2 | -176.5 | -176.7 | 63.9 | 82 | 8.6 | 111.6 | Q78 E79 A80 N86 | Q78-R82 WeakPolarHBondContact O-CB 3.42Å; Q78-R82 PolarHBondContact O-N 2.92Å; E79-R82 PolarHBondContact O-N 3.05Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 3.46Å; R82-N86 WeakPolarHBondContact O-CB 3.44Å; R82-N86 PolarHBondContact O-N 3.44Å; R82-N86 VanDerWaalsContact O-N 3.09Å; R82-N86 PolarHBondContact O-ND2 3.01Å |
| 83 | E | 98.5 | Very high | 97.5 | Very high | 120 Ų | 120 | 111.3 Ų | 111.3 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | 176.6 | -75.3 | 174.1 | -172.9 | 0 | 0 | 111.7 | E79 A80 N86 Y87 | E79-E83 WeakPolarHBondContact O-CG 3.42Å; E79-E83 PolarHBondContact O-N 2.79Å; A80-E83 PolarHBondContact O-N 3.26Å; A80-E83 VanDerWaalsContact O-N 3.12Å; E83-N86 WeakPolarHBondContact O-CB 3.39Å; E83-N86 PolarHBondContact O-N 2.85Å; E83-Y87 WeakPolarHBondContact O-CB 3.49Å; E83-Y87 PolarHBondContact O-N 3.11Å |
| 84 | E | 98.2 | Very high | 97.1 | Very high | 109 Ų | 109 | 112.1 Ų | 112.1 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176 | -178.4 | 170.6 | -176.6 | 0 | 0 | 111.5 | A80 D81 N86 Y87 W88 | A80-E84 PolarHBondContact O-N 3.43Å; D81-E84 PolarHBondContact O-N 3.26Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 2.9Å; E84-Y87 WeakPolarHBondContact O-CB 3.37Å; E84-Y87 PolarHBondContact O-N 3.19Å; E84-Y87 VanDerWaalsContact O-N 3.12Å; E84-W88 PolarHBondContact O-N 2.88Å; E84-W88 PolarHBondContact OE1-NE1 3.04Å |
| 85 | L | 98.1 | Very high | 96.4 | Very high | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.2 | -45.5 | 175.3 | 177.6 | 61.7 | 0 | 0 | 0 | 111.5 | D81 Y87 W88 I89 | D81-L85 WeakPolarHBondContact O-CB 3.38Å; D81-L85 PolarHBondContact O-N 3.48Å; L85-Y87 VanDerWaalsContact C-N 3.29Å; L85-Y87 PolarHBondContact O-N 3.48Å; L85-W88 PolarHBondContact O-N 2.69Å; L85-I89 HydrophobicContact CD1-CD1 4.21Å; L85-I89 HydrophobicContact CD1-CG1 4.4Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.5Å; L85-I89 PolarHBondContact O-N 2.81Å |
| 86 | N | 98.1 | Very high | 95.8 | Very high | 55 Ų | 55 | 106.4 Ų | 106.4 | 29% | 0.294 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -32.9 | 177.9 | -85.1 | -50.5 | 0 | 0 | 0 | 113.2 | R82 E83 E84 R90 | R82-N86 WeakPolarHBondContact O-CB 3.44Å; R82-N86 PolarHBondContact O-N 3.44Å; R82-N86 VanDerWaalsContact O-N 3.09Å; R82-N86 PolarHBondContact O-ND2 3.01Å; E83-N86 WeakPolarHBondContact O-CB 3.39Å; E83-N86 PolarHBondContact O-N 2.85Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 2.9Å; N86-R90 WeakPolarHBondContact O-CG 3.47Å; N86-R90 PolarHBondContact O-N 3.39Å; N86-R90 PolarHBondContact O-NH1 3.08Å |
| 87 | Y | 98.1 | Very high | 94.5 | Very high | 113 Ų | 113 | 102.8 Ų | 102.8 | 44% | 0.443 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -47.7 | 172.8 | 165.4 | -98.8 | 0 | 0 | 0 | 110.8 | E83 E84 L85 I89 R90 R91 | E83-Y87 WeakPolarHBondContact O-CB 3.49Å; E83-Y87 PolarHBondContact O-N 3.11Å; E84-Y87 WeakPolarHBondContact O-CB 3.37Å; E84-Y87 PolarHBondContact O-N 3.19Å; E84-Y87 VanDerWaalsContact O-N 3.12Å; L85-Y87 VanDerWaalsContact C-N 3.29Å; L85-Y87 PolarHBondContact O-N 3.48Å; Y87-I89 PolarHBondContact O-N 3.26Å; Y87-R90 PolarHBondContact O-N 3.44Å; Y87-R91 WeakPolarHBondContact O-CB 3.33Å; Y87-R91 PolarHBondContact O-N 3.03Å; Y87-R91 PolarHBondContact OH-NH1 3.14Å |
| 88 | W | 97.8 | Very high | 93.1 | Very high | 134 Ų | 134 | 106.6 Ų | 106.6 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 178.9 | -71.6 | 116.6 | 0 | 0 | 0 | 112.9 | E84 L85 R90 R91 Y92 | E84-W88 PolarHBondContact O-N 2.88Å; E84-W88 PolarHBondContact OE1-NE1 3.04Å; L85-W88 PolarHBondContact O-N 2.69Å; W88-R90 PolarHBondContact O-N 3.44Å; W88-R91 PolarHBondContact O-N 3.31Å; W88-Y92 WeakPolarHBondContact O-CB 3.24Å; W88-Y92 PolarHBondContact O-N 3.22Å |
| 89 | I | 95.9 | Very high | 91.4 | Very high | 97 Ų | 97 | 109 Ų | 109 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -48.4 | 175.3 | -70 | 165.9 | 0 | 0 | 0 | 110.8 | L85 Y87 Y92 S93 | L85-I89 HydrophobicContact CD1-CD1 4.21Å; L85-I89 HydrophobicContact CD1-CG1 4.4Å; L85-I89 HydrophobicContact CG-CD1 3.95Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.5Å; L85-I89 PolarHBondContact O-N 2.81Å; Y87-I89 PolarHBondContact O-N 3.26Å; I89-Y92 PolarHBondContact O-N 3.35Å; I89-S93 PolarHBondContact O-N 3.13Å |
| 90 | R | 96.3 | Very high | 89.6 | Confident | 154 Ų | 154 | 113.5 Ų | 113.5 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62 | -49.4 | 177.6 | -74.4 | -179.7 | -178 | 84.5 | -3 | 111.4 | N86 Y87 W88 Y92 S93 D94 | N86-R90 WeakPolarHBondContact O-CG 3.47Å; N86-R90 PolarHBondContact O-N 3.39Å; N86-R90 PolarHBondContact O-NH1 3.08Å; Y87-R90 PolarHBondContact O-N 3.44Å; W88-R90 PolarHBondContact O-N 3.44Å; R90-Y92 VanDerWaalsContact C-N 3.29Å; R90-Y92 PolarHBondContact O-N 3.5Å; R90-S93 WeakPolarHBondContact O-CB 3.34Å; R90-S93 PolarHBondContact O-N 3.45Å; R90-S93 VanDerWaalsContact O-N 3.14Å; R90-D94 VanDerWaalsContact O-CG 3.24Å; R90-D94 PolarHBondContact O-N 3.39Å |
| 91 | R | 95.6 | Very high | 87.4 | Confident | 139 Ų | 139 | 113.4 Ų | 113.4 | 53% | 0.525 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -38.1 | -178.7 | -170.2 | 174.4 | -174.5 | 94.8 | 8 | 112.7 | Y87 W88 A95 | Y87-R91 WeakPolarHBondContact O-CB 3.33Å; Y87-R91 PolarHBondContact O-N 3.03Å; Y87-R91 PolarHBondContact OH-NH1 3.14Å; W88-R91 PolarHBondContact O-N 3.31Å; R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 2.78Å |
| 92 | Y | 92.8 | Very high | 85 | Confident | 155 Ų | 155 | 112.3 Ų | 112.3 | 61% | 0.608 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.4 | -45.3 | 175.1 | -176.3 | -92.7 | 0 | 0 | 0 | 111.5 | W88 I89 R90 D94 A95 E96 | W88-Y92 WeakPolarHBondContact O-CB 3.24Å; W88-Y92 PolarHBondContact O-N 3.22Å; I89-Y92 PolarHBondContact O-N 3.35Å; R90-Y92 VanDerWaalsContact C-N 3.29Å; R90-Y92 PolarHBondContact O-N 3.5Å; Y92-D94 PolarHBondContact O-N 3.03Å; Y92-A95 PolarHBondContact O-N 2.74Å; Y92-E96 HydrophobicContact CD1-CG 4.13Å; Y92-E96 HydrophobicContact CE1-CG 3.61Å; Y92-E96 HydrophobicContact CE2-CG 4.42Å; Y92-E96 WeakPolarHBondContact O-CG 3.42Å; Y92-E96 PolarHBondContact O-N 3.01Å |
| 93 | S | 91 | Very high | 82.7 | Confident | 57 Ų | 57 | 109.1 Ų | 109.1 | 40% | 0.399 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.8 | -50.2 | 175.7 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | I89 R90 A95 E96 D97 | I89-S93 PolarHBondContact O-N 3.13Å; R90-S93 WeakPolarHBondContact O-CB 3.34Å; R90-S93 PolarHBondContact O-N 3.45Å; R90-S93 VanDerWaalsContact O-N 3.14Å; S93-A95 VanDerWaalsContact C-N 3.27Å; S93-A95 PolarHBondContact O-N 3.45Å; S93-E96 PolarHBondContact O-N 2.83Å; S93-E96 VanDerWaalsContact O-N 3.14Å; S93-D97 PolarHBondContact O-N 2.89Å |
| 94 | D | 90.9 | Very high | 80 | Confident | 106 Ų | 106 | 108.7 Ų | 108.7 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.5 | -37.8 | -178.5 | -65.1 | -21.4 | 0 | 0 | 0 | 111.9 | R90 Y92 L98 | R90-D94 VanDerWaalsContact O-CG 3.24Å; R90-D94 PolarHBondContact O-N 3.39Å; Y92-D94 PolarHBondContact O-N 3.03Å; D94-L98 PolarHBondContact O-N 3.06Å |
| 95 | A | 85.4 | Confident | 78.1 | Confident | 59 Ų | 59 | 109.6 Ų | 109.6 | 49% | 0.488 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.5 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R91 Y92 S93 K99 | R91-A95 WeakPolarHBondContact O-CB 3.3Å; R91-A95 PolarHBondContact O-N 2.78Å; Y92-A95 PolarHBondContact O-N 2.74Å; S93-A95 VanDerWaalsContact C-N 3.27Å; S93-A95 PolarHBondContact O-N 3.45Å; A95-K99 PolarHBondContact O-N 2.78Å |
| 96 | E | 84.3 | Confident | 75.7 | Confident | 86 Ų | 86 | 109 Ų | 109 | 40% | 0.402 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.8 | -38.3 | 175.8 | -72.3 | -74.3 | 89.9 | 0 | 0 | 111.7 | Y92 S93 L98 K99 K100 | Y92-E96 HydrophobicContact CD1-CG 4.13Å; Y92-E96 HydrophobicContact CE1-CG 3.61Å; Y92-E96 HydrophobicContact CE2-CG 4.42Å; Y92-E96 WeakPolarHBondContact O-CG 3.42Å; Y92-E96 PolarHBondContact O-N 3.01Å; S93-E96 PolarHBondContact O-N 2.83Å; S93-E96 VanDerWaalsContact O-N 3.14Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.4Å; E96-K99 PolarHBondContact O-N 3.43Å; E96-K100 PolarHBondContact O-N 3.38Å; E96-K100 VanDerWaalsContact O-N 3.09Å |
| 97 | D | 72.9 | Confident | 73.4 | Confident | 95 Ų | 95 | 110.8 Ų | 110.8 | 51% | 0.508 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.9 | -37.6 | 174.7 | -77.6 | -45.6 | 0 | 0 | 0 | 111.8 | S93 K99 K100 G101 | S93-D97 PolarHBondContact O-N 2.89Å; D97-K99 VanDerWaalsContact C-N 3.26Å; D97-K99 PolarHBondContact O-N 2.8Å; D97-K100 PolarHBondContact O-N 2.83Å; D97-G101 WeakPolarHBondContact O-CA 3.42Å; D97-G101 PolarHBondContact O-N 2.83Å |
| 98 | L | 67.8 | Low | 70.9 | Confident | 146 Ų | 146 | 115.2 Ų | 115.2 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.8 | -31.6 | 175.1 | -134.7 | 71.2 | 0 | 0 | 0 | 112.6 | D94 E96 | D94-L98 PolarHBondContact O-N 3.06Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.4Å |
| 99 | K | 64.3 | Low | 68.7 | Low | 177 Ų | 177 | 113.4 Ų | 113.4 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78 | -27 | 177.8 | -164.2 | 177.5 | 178.1 | -173.3 | 0 | 112.6 | A95 E96 D97 | A95-K99 PolarHBondContact O-N 2.78Å; E96-K99 PolarHBondContact O-N 3.43Å; D97-K99 VanDerWaalsContact C-N 3.26Å; D97-K99 PolarHBondContact O-N 2.8Å |
| 100 | K | 60.4 | Low | 66.5 | Low | 191 Ų | 191 | 120.5 Ų | 120.5 | 83% | 0.83 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -91.2 | -18.4 | 175.7 | -158 | 175.4 | -179.4 | -175 | 0 | 113.2 | E96 D97 | E96-K100 PolarHBondContact O-N 3.38Å; E96-K100 VanDerWaalsContact O-N 3.09Å; D97-K100 PolarHBondContact O-N 2.83Å |
| 101 | G | 52.1 | Low | 64.2 | Low | 49 Ų | 49 | 120.3 Ų | 120.3 | 51% | 0.505 | 67% | 0.67 | S | S | . | * | trans | -116.8 | 18.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | D97 G103 | D97-G101 WeakPolarHBondContact O-CA 3.42Å; D97-G101 PolarHBondContact O-N 2.83Å; G101-G103 PolarHBondContact O-N 2.69Å | ||
| 102 | G | 47.5 | Very low | 61.7 | Low | 81 Ų | 81 | 121.5 Ų | 121.5 | 84% | 0.835 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -65.6 | 2.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 103 | G | 50.9 | Low | 59.4 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -137.2 | 80.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G101 | G101-G103 PolarHBondContact O-N 2.69Š|
| 104 | S | 42.2 | Very low | 57.5 | Low | 110 Ų | 110 | 122 Ų | 122 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | 174.2 | 94.8 | 139.5 | -77.5 | 0 | 0 | 0 | 0 | 110.1 | S106 | S104-S106 PolarHBondContact O-N 2.95Å; S104-S106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | S | 58.1 | Low | 55.6 | Low | 129 Ų | 129 | 123.5 Ų | 123.5 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -56.2 | 105 | 146.4 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 106 | S | 47.3 | Very low | 53.9 | Low | 94 Ų | 94 | 127.2 Ų | 127.2 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | trans | -162 | 112.3 | 160.8 | -165 | 0 | 0 | 0 | 0 | 112.4 | S104 | S104-S106 PolarHBondContact O-N 2.95Å; S104-S106 VanDerWaalsContact O-N 3.1Å | ||
| 107 | S | 50.5 | Low | 52.5 | Low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | 57.1 | 88.9 | 141.5 | 57.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 108 | H | 44.6 | Very low | 51.6 | Low | 207 Ų | 207 | 131.2 Ų | 131.2 | 96% | 0.958 | 76% | 0.759 | S | S | * | * | trans | -108.5 | 61.5 | 136.8 | -95.1 | 30.5 | 0 | 0 | 0 | 109.7 | ||||
| 109 | S | 51.5 | Low | 51.3 | Low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | trans | -95.1 | 93 | 152.6 | -174.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 110 | R | 49.4 | Very low | 51.1 | Low | 247 Ų | 247 | 128.3 Ų | 128.3 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | trans | -129.6 | 97.8 | 154.6 | -84.8 | -170.6 | 170 | -110.4 | -0.1 | 107.8 | ||||
| 111 | Q | 48.6 | Very low | 50.7 | Low | 150 Ų | 150 | 122.8 Ų | 122.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -53.6 | 152.7 | 163.4 | -69.7 | -179.6 | -1.3 | 0 | 0 | 112.3 | ||||
| 112 | Q | 43.5 | Very low | 50.4 | Low | 164 Ų | 164 | 129.1 Ų | 129.1 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | 74.6 | 130.2 | 152.8 | -66.9 | 167.1 | 61.7 | 0 | 0 | 116.6 | ||||
| 113 | S | 45.2 | Very low | 50.4 | Low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -150.5 | 158.6 | 39.4 | -68.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 114 | P | 51.1 | Low | 50.4 | Low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | trans | -73.7 | 126.6 | 171 | 30.7 | -30.6 | 0 | 0 | 0 | 110 | N116 | P114-N116 PolarHBondContact O-N 3.18Š| ||
| 115 | V | 50.3 | Low | 50.8 | Low | 138 Ų | 138 | 137.5 Ų | 137.5 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -76.8 | 112.2 | 168.4 | 60.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 116 | N | 48.6 | Very low | 50.4 | Low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | -69.1 | 132.8 | 165 | -88.3 | -61.3 | 0 | 0 | 0 | 108.8 | P114 | P114-N116 PolarHBondContact O-N 3.18Š| ||
| 117 | P | 56.4 | Low | 50.6 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | trans | -86.9 | 114.9 | 160.9 | 31.1 | -26.8 | 0 | 0 | 0 | 109.5 | P119 | P117-P119 WeakPolarHBondContact O-CD 3.27Š| ||
| 118 | D | 53.4 | Low | 50.6 | Low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | trans | -77.5 | 125.6 | 162.1 | -86.2 | -48.2 | 0 | 0 | 0 | 109.5 | ||||
| 119 | P | 61.6 | Low | 51 | Low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 83% | 0.832 | S | S | * | * | trans | -93.2 | 106.4 | 162.7 | 32.7 | -23.9 | 0 | 0 | 0 | 108.8 | P117 | P117-P119 WeakPolarHBondContact O-CD 3.27Š| ||
| 120 | V | 59.6 | Low | 50.9 | Low | 142 Ų | 142 | 142.6 Ų | 142.6 | 86% | 0.861 | 85% | 0.845 | S | S | * | * | trans | -90.7 | 113 | 165.5 | -177 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 121 | A | 52.3 | Low | 51 | Low | 76 Ų | 76 | 134.6 Ų | 134.6 | 63% | 0.628 | 84% | 0.838 | S | S | * | * | trans | -71.7 | 149.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 122 | L | 46.1 | Very low | 51.3 | Low | 182 Ų | 182 | 133.3 Ų | 133.3 | 95% | 0.953 | 85% | 0.849 | S | S | * | * | trans | 41.8 | 116.4 | 140.4 | -70.3 | 160.6 | 0 | 0 | 0 | 119.4 | ||||
| 123 | G | 47 | Very low | 52 | Low | 155 Ų | 155 | 130.5 Ų | 130.5 | 100% | 1.598 | 86% | 0.857 | S | S | * | * | trans | -163.7 | 0 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 123 of 123 residues in 29.8 ms
(Link to these results)