| 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 | 50.1 | Low | 47.6 | Very low | 243 Ų | 243 | 151.8 Ų | 151.8 | 100% | 1.197 | 83% | 0.826 | S | S | * | * | 0 | 114 | 0 | -68.4 | -171.1 | 177.4 | 0 | 0 | 109.7 | |||||
| 2 | K | 42.8 | Very low | 48.4 | Very low | 214 Ų | 214 | 149.9 Ų | 149.9 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | trans | -174 | 111.8 | 140.4 | -103.8 | -179.7 | -175.9 | -177.8 | 0 | 107.6 | ||||
| 3 | Q | 47.1 | Very low | 48.7 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -77.6 | 149.4 | 176 | -66.6 | 172.7 | -3.4 | 0 | 0 | 109.9 | ||||
| 4 | G | 44.4 | Very low | 49.2 | Very low | 67 Ų | 67 | 154.1 Ų | 154.1 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 73.7 | 119.7 | 131.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 5 | Q | 54.5 | Low | 49.4 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | 177.6 | 85.3 | 109.7 | -91.2 | 175.6 | 48.2 | 0 | 0 | 108.6 | K7 | Q5-K7 PolarHBondContact O-N 3.16Å; Q5-K7 VanDerWaalsContact O-N 3.16Å | |||
| 6 | T | 48.2 | Very low | 49.9 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -71.8 | 97.7 | 158.8 | 44.7 | 0 | 0 | 0 | 0 | 107.1 | D8 | T6-D8 PolarHBondContact O-N 3.02Š| ||
| 7 | K | 53.1 | Low | 50.6 | Low | 173 Ų | 173 | 147.3 Ų | 147.3 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -76.4 | 87 | 166.1 | -73.7 | -174.8 | 179.4 | 177.2 | 0 | 107.3 | Q5 K9 | Q5-K7 PolarHBondContact O-N 3.16Å; Q5-K7 VanDerWaalsContact O-N 3.16Å; K7-K9 PolarHBondContact O-N 3.11Å; K7-K9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | D | 47.6 | Very low | 51 | Low | 146 Ų | 146 | 148.6 Ų | 148.6 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -51.8 | 117.1 | 163.2 | -77 | -41.3 | 0 | 0 | 0 | 107.8 | T6 G10 | T6-D8 PolarHBondContact O-N 3.02Å; D8-G10 PolarHBondContact O-N 2.75Å | ||
| 9 | K | 49.8 | Very low | 51.3 | Low | 207 Ų | 207 | 146.1 Ų | 146.1 | 90% | 0.9 | 77% | 0.767 | S | S | * | * | trans | -62.7 | 93.9 | 171.6 | -66 | 177.9 | -177.8 | 174.5 | 0 | 105.6 | K7 G11 | K7-K9 PolarHBondContact O-N 3.11Å; K7-K9 VanDerWaalsContact O-N 3.11Å; K9-G11 VanDerWaalsContact C-N 3.27Å; K9-G11 PolarHBondContact O-N 2.8Å | ||
| 10 | G | 40.1 | Very low | 51.9 | Low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -50.9 | 97.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | D8 T12 | D8-G10 PolarHBondContact O-N 2.75Å; G10-T12 PolarHBondContact O-N 2.85Å | ||
| 11 | G | 46.2 | Very low | 52.6 | Low | 64 Ų | 64 | 138.2 Ų | 138.2 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | trans | -61.3 | 109.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | K9 I13 | K9-G11 VanDerWaalsContact C-N 3.27Å; K9-G11 PolarHBondContact O-N 2.8Å; G11-I13 PolarHBondContact O-N 2.99Å | ||
| 12 | T | 56.7 | Low | 53.5 | Low | 129 Ų | 129 | 133.2 Ų | 133.2 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -49.4 | 107.6 | 170.3 | -54.5 | 0 | 0 | 0 | 0 | 107.1 | G10 R14 | G10-T12 PolarHBondContact O-N 2.85Å; T12-R14 VanDerWaalsContact C-N 3.31Å; T12-R14 PolarHBondContact O-N 2.75Å | ||
| 13 | I | 53.1 | Low | 54.8 | Low | 139 Ų | 139 | 129.3 Ų | 129.3 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | trans | -57.7 | 100.4 | 175.6 | -60.2 | 173.6 | 0 | 0 | 0 | 105.5 | G11 K15 | G11-I13 PolarHBondContact O-N 2.99Å; I13-K15 HydrophobicContact CG2-CG 3.91Å; I13-K15 PolarHBondContact O-N 2.78Å | ||
| 14 | R | 54.6 | Low | 55.9 | Low | 220 Ų | 220 | 125.8 Ų | 125.8 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | trans | -65 | 84.2 | 173.2 | -87.4 | -172.9 | 174.8 | -170.6 | -0.4 | 107.7 | T12 T16 | T12-R14 VanDerWaalsContact C-N 3.31Å; T12-R14 PolarHBondContact O-N 2.75Å; R14-T16 PolarHBondContact O-N 3.02Å | ||
| 15 | K | 53.3 | Low | 57.4 | Low | 183 Ų | 183 | 129.8 Ų | 129.8 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | trans | -77.7 | 59.2 | 161.1 | -67.6 | -172.3 | -178.9 | 175.9 | 0 | 108.9 | I13 | I13-K15 HydrophobicContact CG2-CG 3.91Å; I13-K15 PolarHBondContact O-N 2.78Å | ||
| 16 | T | 57 | Low | 58.4 | Low | 76 Ų | 76 | 127.4 Ų | 127.4 | 47% | 0.466 | 66% | 0.656 | S | S | . | * | trans | -131.3 | 82.1 | 172.5 | 58.3 | 0 | 0 | 0 | 0 | 107.8 | R14 | R14-T16 PolarHBondContact O-N 3.02Š| ||
| 17 | S | 60.8 | Low | 59.8 | Low | 87 Ų | 87 | 126.8 Ų | 126.8 | 61% | 0.608 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -140.2 | -32.8 | 166.8 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | N19 S21 | S17-N19 VanDerWaalsContact C-N 3.33Å; S17-N19 PolarHBondContact O-N 3.46Å; S17-S21 PolarHBondContact O-N 3.13Å; S17-S21 PolarHBondContact O-OG 3.08Å; S17-S21 VanDerWaalsContact O-OG 3.12Å |
| 18 | K | 58.2 | Low | 61 | Low | 171 Ų | 171 | 122.6 Ų | 122.6 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69 | -26.4 | 172.5 | -67 | -168.8 | -177.2 | -176.6 | 0 | 113.7 | S21 | K18-S21 PolarHBondContact O-OG 3.41Å |
| 19 | N | 57.1 | Low | 62.8 | Low | 100 Ų | 100 | 119 Ų | 119 | 54% | 0.535 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -81.8 | -34.6 | 178.4 | -74.6 | -8.6 | 0 | 0 | 0 | 112.6 | S17 K22 K23 | S17-N19 VanDerWaalsContact C-N 3.33Å; S17-N19 PolarHBondContact O-N 3.46Å; N19-K22 PolarHBondContact O-N 3.37Å; N19-K23 PolarHBondContact O-N 2.84Å; N19-K23 VanDerWaalsContact O-N 3.08Å |
| 20 | D | 62.6 | Low | 64.5 | Low | 75 Ų | 75 | 116.1 Ų | 116.1 | 40% | 0.401 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.9 | -42.5 | -179.4 | -58.5 | -43.4 | 0 | 0 | 0 | 111 | K22 K23 E24 | D20-K22 VanDerWaalsContact C-N 3.3Å; D20-K22 PolarHBondContact O-N 3.32Å; D20-K23 PolarHBondContact O-N 3.31Å; D20-K23 VanDerWaalsContact O-N 3.13Å; D20-E24 WeakPolarHBondContact O-CG 3.27Å; D20-E24 PolarHBondContact O-N 3.12Å |
| 21 | S | 66.4 | Low | 66.9 | Low | 52 Ų | 52 | 118.3 Ų | 118.3 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.6 | -33.2 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | S17 K18 K25 | S17-S21 PolarHBondContact O-N 3.13Å; S17-S21 PolarHBondContact O-OG 3.08Å; S17-S21 VanDerWaalsContact O-OG 3.12Å; K18-S21 PolarHBondContact O-OG 3.41Å; S21-K25 WeakPolarHBondContact O-CB 3.48Å; S21-K25 VanDerWaalsContact O-CG 3.27Å; S21-K25 WeakPolarHBondContact O-CG 3.34Å; S21-K25 PolarHBondContact O-N 3.33Å; S21-K25 VanDerWaalsContact O-N 3.15Å |
| 22 | K | 70.5 | Confident | 69 | Low | 138 Ų | 138 | 119.9 Ų | 119.9 | 60% | 0.6 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.4 | -45.4 | 171.7 | -77.6 | -173.9 | -179.6 | -176.7 | 0 | 111.6 | N19 D20 K25 E26 | N19-K22 PolarHBondContact O-N 3.37Å; D20-K22 VanDerWaalsContact C-N 3.3Å; D20-K22 PolarHBondContact O-N 3.32Å; K22-K25 PolarHBondContact O-N 3.34Å; K22-E26 WeakPolarHBondContact O-CG 3.5Å; K22-E26 PolarHBondContact O-N 3.21Å |
| 23 | K | 69.6 | Low | 70.7 | Confident | 132 Ų | 132 | 119.9 Ų | 119.9 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.7 | -41.7 | 177.3 | -74.9 | -176.8 | -179.8 | 178.9 | 0 | 112.4 | N19 D20 E26 Q27 | N19-K23 PolarHBondContact O-N 2.84Å; N19-K23 VanDerWaalsContact O-N 3.08Å; D20-K23 PolarHBondContact O-N 3.31Å; D20-K23 VanDerWaalsContact O-N 3.13Å; K23-E26 PolarHBondContact O-N 2.88Å; K23-Q27 WeakPolarHBondContact O-CG 3.45Å; K23-Q27 PolarHBondContact O-N 3.28Å |
| 24 | E | 71 | Confident | 72.6 | Confident | 121 Ų | 121 | 119 Ų | 119 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63 | -44.1 | 175.6 | -75.9 | -179.9 | 177.5 | 0 | 0 | 111.8 | D20 E26 Q27 N28 | D20-E24 WeakPolarHBondContact O-CG 3.27Å; D20-E24 PolarHBondContact O-N 3.12Å; E24-E26 PolarHBondContact O-N 2.87Å; E24-Q27 PolarHBondContact O-N 3.06Å; E24-N28 WeakPolarHBondContact O-CB 3.37Å; E24-N28 PolarHBondContact O-N 3.32Å; E24-N28 PolarHBondContact O-ND2 3.47Å |
| 25 | K | 74.1 | Confident | 74.5 | Confident | 151 Ų | 151 | 115.8 Ų | 115.8 | 66% | 0.657 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59 | -45.9 | 173.7 | -76.1 | 177.2 | -178.7 | -174.9 | 0 | 111.4 | S21 K22 N28 T29 | S21-K25 WeakPolarHBondContact O-CB 3.48Å; S21-K25 VanDerWaalsContact O-CG 3.27Å; S21-K25 WeakPolarHBondContact O-CG 3.34Å; S21-K25 PolarHBondContact O-N 3.33Å; S21-K25 VanDerWaalsContact O-N 3.15Å; K22-K25 PolarHBondContact O-N 3.34Å; K25-N28 PolarHBondContact O-N 3.15Å; K25-T29 WeakPolarHBondContact O-CG2 3.46Å; K25-T29 PolarHBondContact O-N 2.97Å |
| 26 | E | 75.8 | Confident | 76.5 | Confident | 114 Ų | 114 | 113.4 Ų | 113.4 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.2 | -75.8 | 178.4 | -163 | 0 | 0 | 112.6 | K22 K23 E24 N28 T29 K30 | K22-E26 WeakPolarHBondContact O-CG 3.5Å; K22-E26 PolarHBondContact O-N 3.21Å; K23-E26 PolarHBondContact O-N 2.88Å; E24-E26 PolarHBondContact O-N 2.87Å; E26-N28 VanDerWaalsContact C-N 3.35Å; E26-N28 PolarHBondContact O-N 3.01Å; E26-T29 PolarHBondContact O-N 3.48Å; E26-T29 PolarHBondContact O-OG1 2.97Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.32Å |
| 27 | Q | 77.3 | Confident | 78.3 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.3 | -73.7 | -179 | 5.7 | 0 | 0 | 111.9 | K23 E24 K30 K31 | K23-Q27 WeakPolarHBondContact O-CG 3.45Å; K23-Q27 PolarHBondContact O-N 3.28Å; E24-Q27 PolarHBondContact O-N 3.06Å; Q27-K30 PolarHBondContact O-N 3.48Å; Q27-K31 WeakPolarHBondContact O-CG 3.49Å; Q27-K31 PolarHBondContact O-N 3.47Å |
| 28 | N | 79.7 | Confident | 80 | Confident | 85 Ų | 85 | 113 Ų | 113 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.5 | -73 | -21.2 | 0 | 0 | 0 | 111.6 | E24 K25 E26 K30 K31 N32 | E24-N28 WeakPolarHBondContact O-CB 3.37Å; E24-N28 PolarHBondContact O-N 3.32Å; E24-N28 PolarHBondContact O-ND2 3.47Å; K25-N28 PolarHBondContact O-N 3.15Å; E26-N28 VanDerWaalsContact C-N 3.35Å; E26-N28 PolarHBondContact O-N 3.01Å; N28-K30 PolarHBondContact O-N 2.96Å; N28-K31 PolarHBondContact O-N 2.94Å; N28-N32 VanDerWaalsContact O-CG 3.27Å; N28-N32 PolarHBondContact O-N 3.32Å; N28-N32 PolarHBondContact O-OD1 2.76Å |
| 29 | T | 84.2 | Confident | 81.8 | Confident | 71 Ų | 71 | 107 Ų | 107 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 174.7 | 63.7 | 0 | 0 | 0 | 0 | 113 | K25 E26 N32 K33 | K25-T29 WeakPolarHBondContact O-CG2 3.46Å; K25-T29 PolarHBondContact O-N 2.97Å; E26-T29 PolarHBondContact O-N 3.48Å; E26-T29 PolarHBondContact O-OG1 2.97Å; T29-N32 PolarHBondContact O-N 3.42Å; T29-K33 WeakPolarHBondContact O-CG 3.28Å; T29-K33 PolarHBondContact O-N 2.99Å |
| 30 | K | 87 | Confident | 83.6 | Confident | 146 Ų | 146 | 110 Ų | 110 | 64% | 0.635 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 174.8 | -71.7 | 177.3 | -177.2 | 177.9 | 0 | 111.8 | E26 Q27 N28 K33 F34 | E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.32Å; Q27-K30 PolarHBondContact O-N 3.48Å; N28-K30 PolarHBondContact O-N 2.96Å; K30-K33 PolarHBondContact O-N 3.32Å; K30-F34 PolarHBondContact O-N 3.45Å |
| 31 | K | 88.6 | Confident | 85.2 | Confident | 115 Ų | 115 | 112.5 Ų | 112.5 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175 | -73.8 | 179.2 | -179.6 | 177.9 | 0 | 111.7 | Q27 N28 K33 F34 Y35 | Q27-K31 WeakPolarHBondContact O-CG 3.49Å; Q27-K31 PolarHBondContact O-N 3.47Å; N28-K31 PolarHBondContact O-N 2.94Å; K31-K33 PolarHBondContact O-N 3.16Å; K31-F34 WeakPolarHBondContact O-CB 3.07Å; K31-F34 PolarHBondContact O-N 3.49Å; K31-F34 VanDerWaalsContact O-N 3.16Å; K31-Y35 HydrophobicContact CB-CE2 4.38Å; K31-Y35 WeakPolarHBondContact O-CD2 3.39Å; K31-Y35 PolarHBondContact O-N 3.01Å |
| 32 | N | 90.7 | Very high | 86.7 | Confident | 97 Ų | 97 | 116.6 Ų | 116.6 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 178.2 | -69.1 | -5.4 | 0 | 0 | 0 | 111.7 | N28 T29 F34 Y35 E36 | N28-N32 VanDerWaalsContact O-CG 3.27Å; N28-N32 PolarHBondContact O-N 3.32Å; N28-N32 PolarHBondContact O-OD1 2.76Å; T29-N32 PolarHBondContact O-N 3.42Å; N32-F34 VanDerWaalsContact C-N 3.28Å; N32-F34 PolarHBondContact O-N 3.17Å; N32-Y35 PolarHBondContact O-N 3.46Å; N32-Y35 VanDerWaalsContact O-N 3.17Å; N32-E36 WeakPolarHBondContact O-CG 3.34Å; N32-E36 PolarHBondContact O-N 3.33Å |
| 33 | K | 92.7 | Very high | 87.9 | Confident | 130 Ų | 130 | 116 Ų | 116 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57.5 | -40 | 174 | -73.8 | 177.7 | 179.3 | -176.5 | 0 | 112.4 | T29 K30 K31 E36 L37 | T29-K33 WeakPolarHBondContact O-CG 3.28Å; T29-K33 PolarHBondContact O-N 2.99Å; K30-K33 PolarHBondContact O-N 3.32Å; K31-K33 PolarHBondContact O-N 3.16Å; K33-E36 PolarHBondContact O-N 3.01Å; K33-L37 VanDerWaalsContact O-CG 3.28Å; K33-L37 WeakPolarHBondContact O-CG 3.35Å; K33-L37 PolarHBondContact O-N 3.34Å |
| 34 | F | 94 | Very high | 89.2 | Confident | 119 Ų | 119 | 114.1 Ų | 114.1 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 176 | 176.6 | -98.2 | 0 | 0 | 0 | 111.7 | K30 K31 N32 E36 L37 I38 | K30-F34 PolarHBondContact O-N 3.45Å; K31-F34 WeakPolarHBondContact O-CB 3.07Å; K31-F34 PolarHBondContact O-N 3.49Å; K31-F34 VanDerWaalsContact O-N 3.16Å; N32-F34 VanDerWaalsContact C-N 3.28Å; N32-F34 PolarHBondContact O-N 3.17Å; F34-E36 VanDerWaalsContact C-N 3.34Å; F34-E36 PolarHBondContact O-N 3.24Å; F34-L37 PolarHBondContact O-N 3.44Å; F34-I38 HydrophobicContact CD1-CG1 4.27Å; F34-I38 HydrophobicContact CE1-CD1 4.48Å; F34-I38 HydrophobicContact CE1-CG1 3.87Å; F34-I38 HydrophobicContact CE2-CD1 4.26Å; F34-I38 HydrophobicContact CE2-CG1 4.22Å; F34-I38 HydrophobicContact CZ-CD1 3.98Å; F34-I38 HydrophobicContact CZ-CG1 3.84Å; F34-I38 WeakPolarHBondContact O-CG1 3.39Å; F34-I38 PolarHBondContact O-N 3.37Å |
| 35 | Y | 94 | Very high | 90.5 | Very high | 154 Ų | 154 | 115.8 Ų | 115.8 | 60% | 0.604 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.6 | -39.4 | 177.3 | -70.4 | -61.9 | 0 | 0 | 0 | 112.7 | K31 N32 I38 A39 | K31-Y35 HydrophobicContact CB-CE2 4.38Å; K31-Y35 WeakPolarHBondContact O-CD2 3.39Å; K31-Y35 PolarHBondContact O-N 3.01Å; N32-Y35 PolarHBondContact O-N 3.46Å; N32-Y35 VanDerWaalsContact O-N 3.17Å; Y35-I38 PolarHBondContact O-N 2.91Å; Y35-A39 WeakPolarHBondContact O-CB 3.41Å; Y35-A39 PolarHBondContact O-N 2.93Å |
| 36 | E | 94.8 | Very high | 91.5 | Very high | 132 Ų | 132 | 113.3 Ų | 113.3 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60 | -44.8 | 173.7 | -73.9 | 172 | -172.9 | 0 | 0 | 112 | N32 K33 F34 A39 R40 | N32-E36 WeakPolarHBondContact O-CG 3.34Å; N32-E36 PolarHBondContact O-N 3.33Å; K33-E36 PolarHBondContact O-N 3.01Å; F34-E36 VanDerWaalsContact C-N 3.34Å; F34-E36 PolarHBondContact O-N 3.24Å; E36-A39 PolarHBondContact O-N 3.48Å; E36-R40 WeakPolarHBondContact O-CB 3.39Å; E36-R40 PolarHBondContact O-N 3.34Å |
| 37 | L | 95.6 | Very high | 92.5 | Very high | 101 Ų | 101 | 112.5 Ų | 112.5 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177 | -71.9 | 172.5 | 0 | 0 | 0 | 111.8 | K33 F34 R40 Q41 | K33-L37 VanDerWaalsContact O-CG 3.28Å; K33-L37 WeakPolarHBondContact O-CG 3.35Å; K33-L37 PolarHBondContact O-N 3.34Å; F34-L37 PolarHBondContact O-N 3.44Å; L37-R40 PolarHBondContact O-N 3.02Å; L37-Q41 WeakPolarHBondContact O-CG 3.4Å; L37-Q41 PolarHBondContact O-N 2.87Å |
| 38 | I | 95.6 | Very high | 93.5 | Very high | 53 Ų | 53 | 113.9 Ų | 113.9 | 27% | 0.272 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 176 | -66.4 | -64.9 | 0 | 0 | 0 | 111 | F34 Y35 R40 Q41 K42 | F34-I38 HydrophobicContact CD1-CG1 4.27Å; F34-I38 HydrophobicContact CE1-CD1 4.48Å; F34-I38 HydrophobicContact CE1-CG1 3.87Å; F34-I38 HydrophobicContact CE2-CD1 4.26Å; F34-I38 HydrophobicContact CE2-CG1 4.22Å; F34-I38 HydrophobicContact CZ-CD1 3.98Å; F34-I38 HydrophobicContact CZ-CG1 3.84Å; F34-I38 WeakPolarHBondContact O-CG1 3.39Å; F34-I38 PolarHBondContact O-N 3.37Å; Y35-I38 PolarHBondContact O-N 2.91Å; I38-R40 VanDerWaalsContact C-N 3.35Å; I38-R40 PolarHBondContact O-N 2.98Å; I38-Q41 PolarHBondContact O-N 2.96Å; I38-K42 HydrophobicContact CG2-CD 4.37Å; I38-K42 WeakPolarHBondContact O-CG 3.41Å; I38-K42 PolarHBondContact O-N 2.9Å |
| 39 | A | 95.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 113.7 Ų | 113.7 | 39% | 0.388 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y35 E36 Q41 K42 Q43 | Y35-A39 WeakPolarHBondContact O-CB 3.41Å; Y35-A39 PolarHBondContact O-N 2.93Å; E36-A39 PolarHBondContact O-N 3.48Å; A39-Q41 PolarHBondContact O-N 3.32Å; A39-K42 PolarHBondContact O-N 2.98Å; A39-Q43 WeakPolarHBondContact O-CG 3.33Å; A39-Q43 PolarHBondContact O-N 3.27Å |
| 40 | R | 96.5 | Very high | 94.9 | Very high | 162 Ų | 162 | 115.2 Ų | 115.2 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 176 | -170.9 | 179.2 | -177.1 | -170.4 | 1.9 | 112.2 | E36 L37 I38 K42 Q43 M44 | E36-R40 WeakPolarHBondContact O-CB 3.39Å; E36-R40 PolarHBondContact O-N 3.34Å; L37-R40 PolarHBondContact O-N 3.02Å; I38-R40 VanDerWaalsContact C-N 3.35Å; I38-R40 PolarHBondContact O-N 2.98Å; R40-K42 PolarHBondContact O-N 3.33Å; R40-Q43 PolarHBondContact O-N 3.33Å; R40-M44 WeakPolarHBondContact O-CG 3.36Å; R40-M44 PolarHBondContact O-N 3.4Å |
| 41 | Q | 96.2 | Very high | 95.4 | Very high | 127 Ų | 127 | 114.8 Ų | 114.8 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 176.3 | -76.2 | 179.5 | 0.9 | 0 | 0 | 112.1 | L37 I38 A39 M44 K45 | L37-Q41 WeakPolarHBondContact O-CG 3.4Å; L37-Q41 PolarHBondContact O-N 2.87Å; I38-Q41 PolarHBondContact O-N 2.96Å; A39-Q41 PolarHBondContact O-N 3.32Å; Q41-M44 PolarHBondContact O-N 3.47Å; Q41-K45 PolarHBondContact O-N 3.49Å |
| 42 | K | 96.8 | Very high | 95.9 | Very high | 138 Ų | 138 | 115.9 Ų | 115.9 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 175.3 | -73.6 | 177.7 | 179.3 | -178.5 | 0 | 111.6 | I38 A39 R40 M44 K45 N46 | I38-K42 HydrophobicContact CG2-CD 4.37Å; I38-K42 WeakPolarHBondContact O-CG 3.41Å; I38-K42 PolarHBondContact O-N 2.9Å; A39-K42 PolarHBondContact O-N 2.98Å; R40-K42 PolarHBondContact O-N 3.33Å; K42-M44 PolarHBondContact O-N 2.99Å; K42-K45 PolarHBondContact O-N 3.46Å; K42-N46 PolarHBondContact O-N 3.05Å |
| 43 | Q | 96.4 | Very high | 96.2 | Very high | 125 Ų | 125 | 116.1 Ų | 116.1 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59 | -46.3 | 176 | -72 | 175.8 | -16 | 0 | 0 | 111.8 | A39 R40 K45 N46 I47 | A39-Q43 WeakPolarHBondContact O-CG 3.33Å; A39-Q43 PolarHBondContact O-N 3.27Å; R40-Q43 PolarHBondContact O-N 3.33Å; Q43-K45 VanDerWaalsContact C-N 3.33Å; Q43-K45 PolarHBondContact O-N 2.98Å; Q43-N46 PolarHBondContact O-N 2.96Å; Q43-I47 WeakPolarHBondContact O-CG1 3.49Å; Q43-I47 PolarHBondContact O-N 3.25Å |
| 44 | M | 96.5 | Very high | 96.4 | Very high | 94 Ų | 94 | 112.5 Ų | 112.5 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 177.5 | -72 | -177.4 | 72.5 | 0 | 0 | 112.7 | R40 Q41 K42 I47 K48 | R40-M44 WeakPolarHBondContact O-CG 3.36Å; R40-M44 PolarHBondContact O-N 3.4Å; Q41-M44 PolarHBondContact O-N 3.47Å; K42-M44 PolarHBondContact O-N 2.99Å; M44-I47 PolarHBondContact O-N 3.46Å; M44-K48 WeakPolarHBondContact O-CB 3.36Å; M44-K48 WeakPolarHBondContact O-CG 3.5Å; M44-K48 PolarHBondContact O-N 2.96Å |
| 45 | K | 97.4 | Very high | 96.6 | Very high | 155 Ų | 155 | 111 Ų | 111 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 175.9 | -175.7 | 178.6 | 177.9 | -178.8 | 0 | 111.1 | Q41 K42 Q43 K48 L49 | Q41-K45 PolarHBondContact O-N 3.49Å; K42-K45 PolarHBondContact O-N 3.46Å; Q43-K45 VanDerWaalsContact C-N 3.33Å; Q43-K45 PolarHBondContact O-N 2.98Å; K45-K48 PolarHBondContact O-N 3.23Å; K45-L49 WeakPolarHBondContact O-CB 3.36Å; K45-L49 PolarHBondContact O-N 3.33Å |
| 46 | N | 96.5 | Very high | 96.8 | Very high | 100 Ų | 100 | 108.2 Ų | 108.2 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 178.1 | -69.1 | -7.5 | 0 | 0 | 0 | 111.5 | K42 Q43 K48 L49 E50 | K42-N46 PolarHBondContact O-N 3.05Å; Q43-N46 PolarHBondContact O-N 2.96Å; N46-K48 VanDerWaalsContact C-N 3.32Å; N46-K48 PolarHBondContact O-N 2.83Å; N46-L49 WeakPolarHBondContact O-CB 3.47Å; N46-L49 PolarHBondContact O-N 2.95Å; N46-L49 VanDerWaalsContact O-N 3.17Å; N46-E50 WeakPolarHBondContact O-CG 3.49Å; N46-E50 PolarHBondContact O-N 3.17Å |
| 47 | I | 96.8 | Very high | 96.9 | Very high | 96 Ų | 96 | 108.1 Ų | 108.1 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.4 | -66.7 | 165.8 | 0 | 0 | 0 | 111.3 | Q43 M44 L49 E50 K51 | Q43-I47 WeakPolarHBondContact O-CG1 3.49Å; Q43-I47 PolarHBondContact O-N 3.25Å; M44-I47 PolarHBondContact O-N 3.46Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-E50 PolarHBondContact O-N 2.96Å; I47-K51 HydrophobicContact CG2-CD 4.3Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 WeakPolarHBondContact O-CG 3.47Å; I47-K51 PolarHBondContact O-N 3.17Å |
| 48 | K | 97.6 | Very high | 97 | Very high | 144 Ų | 144 | 109.2 Ų | 109.2 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 176.9 | -76.5 | 179.2 | 179 | -176.4 | 0 | 111.9 | M44 K45 N46 K51 K52 | M44-K48 WeakPolarHBondContact O-CB 3.36Å; M44-K48 WeakPolarHBondContact O-CG 3.5Å; M44-K48 PolarHBondContact O-N 2.96Å; K45-K48 PolarHBondContact O-N 3.23Å; N46-K48 VanDerWaalsContact C-N 3.32Å; N46-K48 PolarHBondContact O-N 2.83Å; K48-K51 PolarHBondContact O-N 3.37Å; K48-K52 WeakPolarHBondContact O-CB 3.34Å; K48-K52 PolarHBondContact O-N 2.95Å |
| 49 | L | 97.3 | Very high | 97.1 | Very high | 82 Ų | 82 | 114.5 Ų | 114.5 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 178.5 | -176.5 | 64.9 | 0 | 0 | 0 | 111.3 | K45 N46 I47 K51 K52 K53 | K45-L49 WeakPolarHBondContact O-CB 3.36Å; K45-L49 PolarHBondContact O-N 3.33Å; N46-L49 WeakPolarHBondContact O-CB 3.47Å; N46-L49 PolarHBondContact O-N 2.95Å; N46-L49 VanDerWaalsContact O-N 3.17Å; I47-L49 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.36Å; L49-K52 WeakPolarHBondContact O-CB 3.49Å; L49-K52 PolarHBondContact O-N 3.49Å; L49-K53 WeakPolarHBondContact O-CG 3.45Å; L49-K53 PolarHBondContact O-N 2.89Å |
| 50 | E | 96.7 | Very high | 97.2 | Very high | 102 Ų | 102 | 118 Ų | 118 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 178.4 | -69 | -55 | 126.1 | 0 | 0 | 112 | N46 I47 K52 K53 A54 | N46-E50 WeakPolarHBondContact O-CG 3.49Å; N46-E50 PolarHBondContact O-N 3.17Å; I47-E50 PolarHBondContact O-N 2.96Å; E50-K52 VanDerWaalsContact C-N 3.33Å; E50-K52 PolarHBondContact O-N 3.47Å; E50-K53 PolarHBondContact O-N 3.29Å; E50-K53 IonicContact OE1-NZ 2.83Å; E50-K53 PolarHBondContact OE1-NZ 2.94Å; E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 3.43Å |
| 51 | K | 97.5 | Very high | 97.2 | Very high | 138 Ų | 138 | 114.6 Ų | 114.6 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.2 | -42.5 | 172.3 | -74 | -176.1 | -177.7 | -172 | 0 | 112 | I47 K48 L49 A54 I55 | I47-K51 HydrophobicContact CG2-CD 4.3Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 WeakPolarHBondContact O-CG 3.47Å; I47-K51 PolarHBondContact O-N 3.17Å; K48-K51 PolarHBondContact O-N 3.37Å; L49-K51 PolarHBondContact O-N 3.36Å; K51-A54 PolarHBondContact O-N 2.95Å; K51-I55 WeakPolarHBondContact O-CD1 3.26Å; K51-I55 VanDerWaalsContact O-CG1 3.26Å; K51-I55 WeakPolarHBondContact O-CG1 3.31Å; K51-I55 PolarHBondContact O-N 3.42Å |
| 52 | K | 97.8 | Very high | 97.2 | Very high | 137 Ų | 137 | 114.3 Ų | 114.3 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -49.2 | 177.9 | -175.4 | -179.4 | 174.6 | -174.3 | 0 | 110.8 | K48 L49 E50 A54 I55 E56 | K48-K52 WeakPolarHBondContact O-CB 3.34Å; K48-K52 PolarHBondContact O-N 2.95Å; L49-K52 WeakPolarHBondContact O-CB 3.49Å; L49-K52 PolarHBondContact O-N 3.49Å; E50-K52 VanDerWaalsContact C-N 3.33Å; E50-K52 PolarHBondContact O-N 3.47Å; K52-A54 VanDerWaalsContact C-N 3.34Å; K52-A54 PolarHBondContact O-N 2.99Å; K52-I55 PolarHBondContact O-N 3.47Å; K52-E56 WeakPolarHBondContact O-CB 3.49Å; K52-E56 PolarHBondContact O-N 3.4Å |
| 53 | K | 97.7 | Very high | 97.2 | Very high | 103 Ų | 103 | 112.2 Ų | 112.2 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 176.4 | -70.6 | 176.2 | -176.2 | 167.7 | 0 | 112.1 | L49 E50 I55 E56 K57 | L49-K53 WeakPolarHBondContact O-CG 3.45Å; L49-K53 PolarHBondContact O-N 2.89Å; E50-K53 PolarHBondContact O-N 3.29Å; E50-K53 IonicContact OE1-NZ 2.83Å; E50-K53 PolarHBondContact OE1-NZ 2.94Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-I55 PolarHBondContact O-N 3.19Å; K53-E56 PolarHBondContact O-N 2.9Å; K53-K57 WeakPolarHBondContact O-CB 3.45Å; K53-K57 PolarHBondContact O-N 3.15Å |
| 54 | A | 97.5 | Very high | 97.2 | Very high | 54 Ų | 54 | 111.4 Ų | 111.4 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E50 K51 K52 K58 | E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 3.43Å; K51-A54 PolarHBondContact O-N 2.95Å; K52-A54 VanDerWaalsContact C-N 3.34Å; K52-A54 PolarHBondContact O-N 2.99Å; A54-K58 WeakPolarHBondContact O-CG 3.5Å; A54-K58 PolarHBondContact O-N 3.35Å; A54-K58 VanDerWaalsContact O-N 3.15Å |
| 55 | I | 97.4 | Very high | 97.1 | Very high | 86 Ų | 86 | 111.9 Ų | 111.9 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 175.8 | -70.1 | 166.1 | 0 | 0 | 0 | 110.8 | K51 K52 K53 K58 R59 | K51-I55 WeakPolarHBondContact O-CD1 3.26Å; K51-I55 VanDerWaalsContact O-CG1 3.26Å; K51-I55 WeakPolarHBondContact O-CG1 3.31Å; K51-I55 PolarHBondContact O-N 3.42Å; K52-I55 PolarHBondContact O-N 3.47Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-I55 PolarHBondContact O-N 3.19Å; I55-K58 PolarHBondContact O-N 3Å; I55-R59 HydrophobicContact CG2-CG 4.48Å; I55-R59 VanDerWaalsContact O-CG 3.31Å; I55-R59 WeakPolarHBondContact O-CG 3.38Å; I55-R59 PolarHBondContact O-N 3.43Å |
| 56 | E | 97.7 | Very high | 96.9 | Very high | 97 Ų | 97 | 111.3 Ų | 111.3 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 178.9 | -171.7 | 157.7 | -141.3 | 0 | 0 | 111.3 | K52 K53 K58 R59 E60 | K52-E56 WeakPolarHBondContact O-CB 3.49Å; K52-E56 PolarHBondContact O-N 3.4Å; K53-E56 PolarHBondContact O-N 2.9Å; E56-K58 VanDerWaalsContact C-N 3.34Å; E56-K58 PolarHBondContact O-N 3.33Å; E56-R59 WeakPolarHBondContact O-CA 3.48Å; E56-R59 VanDerWaalsContact O-CB 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.4Å; E56-R59 PolarHBondContact O-N 3.31Å; E56-E60 PolarHBondContact O-N 2.94Å |
| 57 | K | 97.8 | Very high | 96.9 | Very high | 129 Ų | 129 | 112.5 Ų | 112.5 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -54 | -47.7 | 172.2 | -176.2 | 176.6 | 177.8 | 179.3 | 0 | 112.2 | K53 R59 E60 E61 | K53-K57 WeakPolarHBondContact O-CB 3.45Å; K53-K57 PolarHBondContact O-N 3.15Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 2.92Å; K57-E60 PolarHBondContact O-N 3.43Å; K57-E61 WeakPolarHBondContact CE-OE1 3.31Å; K57-E61 WeakPolarHBondContact CG-OE1 3.11Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 2.82Å |
| 58 | K | 98.1 | Very high | 96.7 | Very high | 124 Ų | 124 | 112.5 Ų | 112.5 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -30.4 | 175.6 | -73.9 | -177.8 | 179.5 | -174.4 | 0 | 113.1 | A54 I55 E56 R62 | A54-K58 WeakPolarHBondContact O-CG 3.5Å; A54-K58 PolarHBondContact O-N 3.35Å; A54-K58 VanDerWaalsContact O-N 3.15Å; I55-K58 PolarHBondContact O-N 3Å; E56-K58 VanDerWaalsContact C-N 3.34Å; E56-K58 PolarHBondContact O-N 3.33Å; K58-R62 WeakPolarHBondContact O-CB 3.42Å; K58-R62 VanDerWaalsContact O-CG 3.28Å; K58-R62 WeakPolarHBondContact O-CG 3.44Å; K58-R62 PolarHBondContact O-N 3.11Å; K58-R62 VanDerWaalsContact O-N 3.13Å |
| 59 | R | 97.6 | Very high | 96.4 | Very high | 164 Ų | 164 | 109.5 Ų | 109.5 | 62% | 0.619 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.5 | -44.4 | 175.8 | -74.3 | 171 | 179.5 | -161.9 | -0.9 | 110.5 | I55 E56 K57 R62 L63 | I55-R59 HydrophobicContact CG2-CG 4.48Å; I55-R59 VanDerWaalsContact O-CG 3.31Å; I55-R59 WeakPolarHBondContact O-CG 3.38Å; I55-R59 PolarHBondContact O-N 3.43Å; E56-R59 WeakPolarHBondContact O-CA 3.48Å; E56-R59 VanDerWaalsContact O-CB 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.4Å; E56-R59 PolarHBondContact O-N 3.31Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 2.92Å; R59-R62 VanDerWaalsContact CG-NH2 3.3Å; R59-R62 PolarHBondContact O-N 2.92Å; R59-L63 WeakPolarHBondContact O-CB 3.4Å; R59-L63 PolarHBondContact O-N 3.4Å |
| 60 | E | 97.5 | Very high | 96.1 | Very high | 121 Ų | 121 | 110.2 Ų | 110.2 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | 176.5 | -68.9 | 174.3 | 175.1 | 0 | 0 | 111.3 | E56 K57 R62 L63 H64 | E56-E60 PolarHBondContact O-N 2.94Å; K57-E60 PolarHBondContact O-N 3.43Å; E60-R62 PolarHBondContact O-N 3.44Å; E60-L63 PolarHBondContact O-N 3.4Å; E60-L63 VanDerWaalsContact O-N 3.11Å; E60-H64 WeakPolarHBondContact O-CB 3.4Å; E60-H64 PolarHBondContact O-N 3.48Å |
| 61 | E | 97.1 | Very high | 95.9 | Very high | 91 Ų | 91 | 110.2 Ų | 110.2 | 43% | 0.425 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 175.6 | -72.9 | 169.3 | -176.5 | 0 | 0 | 111.7 | K57 L63 H64 N65 | K57-E61 WeakPolarHBondContact CE-OE1 3.31Å; K57-E61 WeakPolarHBondContact CG-OE1 3.11Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 2.82Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.13Å; E61-H64 PolarHBondContact O-N 3.01Å; E61-N65 WeakPolarHBondContact O-CB 3.28Å; E61-N65 PolarHBondContact O-N 2.96Å; E61-N65 PolarHBondContact O-ND2 3.26Å |
| 62 | R | 95.7 | Very high | 95.6 | Very high | 120 Ų | 120 | 106.2 Ų | 106.2 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 175.9 | -78.6 | -170.3 | -60 | -93.5 | -1.6 | 112.4 | K58 R59 E60 R66 | K58-R62 WeakPolarHBondContact O-CB 3.42Å; K58-R62 VanDerWaalsContact O-CG 3.28Å; K58-R62 WeakPolarHBondContact O-CG 3.44Å; K58-R62 PolarHBondContact O-N 3.11Å; K58-R62 VanDerWaalsContact O-N 3.13Å; R59-R62 VanDerWaalsContact CG-NH2 3.3Å; R59-R62 PolarHBondContact O-N 2.92Å; E60-R62 PolarHBondContact O-N 3.44Å; R62-R66 WeakPolarHBondContact O-CB 3.19Å; R62-R66 WeakPolarHBondContact O-CG 3.41Å; R62-R66 PolarHBondContact O-N 2.93Å |
| 63 | L | 96.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 101.1 Ų | 101.1 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.8 | -44.6 | 179.4 | -177.6 | 62.5 | 0 | 0 | 0 | 110.9 | R59 E60 E61 R66 K67 | R59-L63 WeakPolarHBondContact O-CB 3.4Å; R59-L63 PolarHBondContact O-N 3.4Å; E60-L63 PolarHBondContact O-N 3.4Å; E60-L63 VanDerWaalsContact O-N 3.11Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.13Å; L63-R66 WeakPolarHBondContact O-CB 3.36Å; L63-R66 PolarHBondContact O-N 2.92Å; L63-K67 WeakPolarHBondContact O-CG 3.39Å; L63-K67 PolarHBondContact O-N 3.24Å |
| 64 | H | 97 | Very high | 95 | Very high | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.7 | -53 | 174.2 | -179.8 | -86.5 | 0 | 0 | 0 | 110.9 | E60 E61 R66 K67 E68 | E60-H64 WeakPolarHBondContact O-CB 3.4Å; E60-H64 PolarHBondContact O-N 3.48Å; E61-H64 PolarHBondContact O-N 3.01Å; H64-R66 VanDerWaalsContact C-N 3.26Å; H64-R66 PolarHBondContact O-N 3.23Å; H64-K67 WeakPolarHBondContact O-CB 3.38Å; H64-K67 PolarHBondContact O-N 2.92Å; H64-E68 PolarHBondContact O-N 2.98Å |
| 65 | N | 94 | Very high | 94.8 | Very high | 104 Ų | 104 | 105.9 Ų | 105.9 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.6 | -34.8 | 178.7 | -68.4 | -10.4 | 0 | 0 | 0 | 112.6 | E61 R69 | E61-N65 WeakPolarHBondContact O-CB 3.28Å; E61-N65 PolarHBondContact O-N 2.96Å; E61-N65 PolarHBondContact O-ND2 3.26Å; N65-R69 WeakPolarHBondContact O-CB 3.45Å; N65-R69 PolarHBondContact O-N 3.36Å |
| 66 | R | 93.4 | Very high | 94.7 | Very high | 142 Ų | 142 | 106 Ų | 106 | 54% | 0.536 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 173.2 | -77.4 | 171.6 | -177.8 | -167 | -0.2 | 112.1 | R62 L63 H64 N70 | R62-R66 WeakPolarHBondContact O-CB 3.19Å; R62-R66 WeakPolarHBondContact O-CG 3.41Å; R62-R66 PolarHBondContact O-N 2.93Å; L63-R66 WeakPolarHBondContact O-CB 3.36Å; L63-R66 PolarHBondContact O-N 2.92Å; H64-R66 VanDerWaalsContact C-N 3.26Å; H64-R66 PolarHBondContact O-N 3.23Å; R66-N70 WeakPolarHBondContact O-CB 3.41Å; R66-N70 PolarHBondContact O-N 3.02Å; R66-N70 PolarHBondContact O-ND2 3.34Å; R66-N70 PolarHBondContact O-OD1 3.45Å |
| 67 | K | 95.6 | Very high | 94.5 | Very high | 125 Ų | 125 | 104.3 Ų | 104.3 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.3 | -51.8 | 177.3 | -73.1 | 179.6 | 177.9 | -175.7 | 0 | 110.9 | L63 H64 R69 N70 I71 | L63-K67 WeakPolarHBondContact O-CG 3.39Å; L63-K67 PolarHBondContact O-N 3.24Å; H64-K67 WeakPolarHBondContact O-CB 3.38Å; H64-K67 PolarHBondContact O-N 2.92Å; K67-R69 VanDerWaalsContact C-N 3.31Å; K67-R69 PolarHBondContact O-N 2.98Å; K67-N70 PolarHBondContact O-N 3.05Å; K67-I71 WeakPolarHBondContact O-CG1 3.17Å; K67-I71 PolarHBondContact O-N 3.36Å |
| 68 | E | 94 | Very high | 94.3 | Very high | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 178 | -67.9 | -51.6 | 119.6 | 0 | 0 | 112.4 | H64 N70 I71 S72 | H64-E68 PolarHBondContact O-N 2.98Å; E68-N70 PolarHBondContact O-N 3Å; E68-I71 PolarHBondContact O-N 3.21Å; E68-S72 WeakPolarHBondContact O-CB 3.23Å; E68-S72 PolarHBondContact O-N 3.35Å; E68-S72 PolarHBondContact O-OG 3.47Å |
| 69 | R | 90.7 | Very high | 94.2 | Very high | 80 Ų | 80 | 113.8 Ų | 113.8 | 30% | 0.302 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 173.8 | -173.9 | 178.6 | 66.5 | -171.8 | 1.6 | 112.2 | N65 K67 S72 M73 | N65-R69 WeakPolarHBondContact O-CB 3.45Å; N65-R69 PolarHBondContact O-N 3.36Å; K67-R69 VanDerWaalsContact C-N 3.31Å; K67-R69 PolarHBondContact O-N 2.98Å; R69-S72 WeakPolarHBondContact CA-OG 3.48Å; R69-S72 PolarHBondContact O-N 3.01Å; R69-S72 PolarHBondContact O-OG 2.98Å; R69-M73 HydrophobicContact CG-CE 3.89Å; R69-M73 HydrophobicContact CG-CG 4.42Å; R69-M73 HydrophobicContact CG-SD 4.16Å; R69-M73 WeakPolarHBondContact O-CB 3.35Å; R69-M73 VanDerWaalsContact O-CG 3.24Å; R69-M73 WeakPolarHBondContact O-CG 3.5Å; R69-M73 PolarHBondContact O-N 2.97Å |
| 70 | N | 91.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 108 Ų | 108 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | -179.9 | -73 | -8.2 | 0 | 0 | 0 | 111.7 | R66 K67 E68 M73 Q74 | R66-N70 WeakPolarHBondContact O-CB 3.41Å; R66-N70 PolarHBondContact O-N 3.02Å; R66-N70 PolarHBondContact O-ND2 3.34Å; R66-N70 PolarHBondContact O-OD1 3.45Å; K67-N70 PolarHBondContact O-N 3.05Å; E68-N70 PolarHBondContact O-N 3Å; N70-M73 PolarHBondContact O-N 3.46Å; N70-Q74 PolarHBondContact O-N 2.94Å |
| 71 | I | 92.5 | Very high | 93.9 | Very high | 103 Ų | 103 | 108.1 Ų | 108.1 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -51.8 | 174.9 | -65.6 | 166 | 0 | 0 | 0 | 110 | K67 E68 M73 Q74 | K67-I71 WeakPolarHBondContact O-CG1 3.17Å; K67-I71 PolarHBondContact O-N 3.36Å; E68-I71 PolarHBondContact O-N 3.21Å; I71-M73 PolarHBondContact O-N 3.49Å; I71-Q74 VanDerWaalsContact O-CB 3.23Å; I71-Q74 WeakPolarHBondContact O-CB 3.24Å; I71-Q74 PolarHBondContact O-N 2.93Å |
| 72 | S | 90.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 106 Ų | 106 | 38% | 0.378 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -27 | 179.6 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | E68 R69 Q74 H86 L90 | E68-S72 WeakPolarHBondContact O-CB 3.23Å; E68-S72 PolarHBondContact O-N 3.35Å; E68-S72 PolarHBondContact O-OG 3.47Å; R69-S72 WeakPolarHBondContact CA-OG 3.48Å; R69-S72 PolarHBondContact O-N 3.01Å; R69-S72 PolarHBondContact O-OG 2.98Å; S72-Q74 VanDerWaalsContact C-N 3.33Å; S72-H86 PolarHBondContact O-NE2 3.45Å; S72-L90 WeakPolarHBondContact O-CD1 3.38Å |
| 73 | M | 91.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 101.9 Ų | 101.9 | 15% | 0.148 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.7 | 174.7 | -73.5 | -170.7 | -51.6 | 0 | 0 | 114.5 | R69 N70 I71 K75 R87 L90 L91 | R69-M73 HydrophobicContact CG-CE 3.89Å; R69-M73 HydrophobicContact CG-CG 4.42Å; R69-M73 HydrophobicContact CG-SD 4.16Å; R69-M73 WeakPolarHBondContact O-CB 3.35Å; R69-M73 VanDerWaalsContact O-CG 3.24Å; R69-M73 WeakPolarHBondContact O-CG 3.5Å; R69-M73 PolarHBondContact O-N 2.97Å; N70-M73 PolarHBondContact O-N 3.46Å; I71-M73 PolarHBondContact O-N 3.49Å; M73-K75 PolarHBondContact O-N 2.97Å; M73-R87 HydrophobicContact CB-CG 4.09Å; M73-R87 HydrophobicContact CG-CG 4.21Å; M73-R87 PolarHBondContact O-NE 3.48Å; M73-L90 HydrophobicContact CG-CD1 3.93Å; M73-L91 HydrophobicContact SD-CD2 4.41Å |
| 74 | Q | 91.9 | Very high | 93.6 | Very high | 141 Ų | 141 | 102.9 Ų | 102.9 | 66% | 0.659 | 49% | 0.494 | S | S | * | . | trans | -78.5 | 33.6 | -178.8 | -158.3 | -177.2 | -1.5 | 0 | 0 | 113.2 | N70 I71 S72 | N70-Q74 PolarHBondContact O-N 2.94Å; I71-Q74 VanDerWaalsContact O-CB 3.23Å; I71-Q74 WeakPolarHBondContact O-CB 3.24Å; I71-Q74 PolarHBondContact O-N 2.93Å; S72-Q74 VanDerWaalsContact C-N 3.33Å | ||
| 75 | K | 92.4 | Very high | 93.5 | Very high | 115 Ų | 115 | 106.2 Ų | 106.2 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | trans | -82.5 | 121.3 | 171.9 | -165.9 | 173.9 | -175.1 | 170.3 | 0 | 109.9 | M73 V83 H86 | M73-K75 PolarHBondContact O-N 2.97Å; K75-V83 HydrophobicContact CB-CB 4.4Å; K75-V83 HydrophobicContact CB-CG2 4.44Å; K75-V83 HydrophobicContact CD-CB 4.49Å; K75-V83 HydrophobicContact CD-CG2 4.42Å; K75-V83 HydrophobicContact CG-CB 4.29Å; K75-V83 HydrophobicContact CG-CG2 3.96Å; K75-V83 PolarHBondContact O-N 3.03Å; K75-H86 VanDerWaalsContact CB-CD2 3.46Å; K75-H86 WeakPolarHBondContact CB-CD2 3.37Å; K75-H86 HydrophobicContact CD-CB 4.08Å | ||
| 76 | L | 95.3 | Very high | 93.5 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | B | Isolated β-bridge | trans | -110 | 153.2 | 178.5 | -55.8 | -179 | 0 | 0 | 0 | 111.3 | G80 Q81 P82 | L76-G80 WeakPolarHBondContact CD2-O 3.41Å; L76-Q81 CarbonylContact C-O 3.48Å; L76-Q81 WeakPolarHBondContact CA-O 3.38Å; L76-P82 HydrophobicContact CD2-CG 4.47Å |
| 77 | T | 93.6 | Very high | 93.5 | Very high | 61 Ų | 61 | 100.4 Ų | 100.4 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | trans | -76.1 | 170.7 | 169.2 | 62 | 0 | 0 | 0 | 0 | 110.1 | K79 G80 Q81 V83 | T77-K79 PolarHBondContact O-N 3.2Å; T77-K79 VanDerWaalsContact O-N 3.1Å; T77-K79 PolarHBondContact OG1-N 2.94Å; T77-G80 PolarHBondContact O-N 2.83Å; T77-Q81 HydrophobicContact CG2-CB 4.45Å; T77-Q81 WeakPolarHBondContact CG2-O 3.46Å; T77-Q81 PolarHBondContact N-O 3.34Å; T77-Q81 WeakPolarHBondContact OG1-CB 3.32Å; T77-Q81 PolarHBondContact OG1-N 3.36Å; T77-Q81 PolarHBondContact OG1-O 3.05Å; T77-V83 HydrophobicContact CG2-CG2 3.79Å | ||
| 78 | R | 94.8 | Very high | 93.3 | Very high | 262 Ų | 262 | 98.5 Ų | 98.5 | 99% | 0.989 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.1 | 173.2 | -69 | -175 | 175.8 | -179.6 | -1.5 | 113.6 | G80 | R78-G80 VanDerWaalsContact C-N 3.32Š|
| 79 | K | 96 | Very high | 93.3 | Very high | 190 Ų | 190 | 101.4 Ų | 101.4 | 83% | 0.826 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.7 | 176.3 | -62.2 | -173.4 | 177.7 | -175.5 | 0 | 113.4 | T77 Q81 | T77-K79 PolarHBondContact O-N 3.2Å; T77-K79 VanDerWaalsContact O-N 3.1Å; T77-K79 PolarHBondContact OG1-N 2.94Å; K79-Q81 VanDerWaalsContact C-N 3.27Å; K79-Q81 PolarHBondContact O-N 2.97Å |
| 80 | G | 94.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 99.6 Ų | 99.6 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | S | Bend | trans | 78 | 1.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L76 T77 R78 | L76-G80 WeakPolarHBondContact CD2-O 3.41Å; T77-G80 PolarHBondContact O-N 2.83Å; R78-G80 VanDerWaalsContact C-N 3.32Å |
| 81 | Q | 93.9 | Very high | 93.3 | Very high | 124 Ų | 124 | 98.5 Ų | 98.5 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | trans | -77.8 | 144.5 | 178.9 | -61.9 | -61.9 | -33.4 | 0 | 0 | 111.7 | L76 T77 K79 V83 | L76-Q81 CarbonylContact C-O 3.48Å; L76-Q81 WeakPolarHBondContact CA-O 3.38Å; T77-Q81 HydrophobicContact CG2-CB 4.45Å; T77-Q81 WeakPolarHBondContact CG2-O 3.46Å; T77-Q81 PolarHBondContact N-O 3.34Å; T77-Q81 WeakPolarHBondContact OG1-CB 3.32Å; T77-Q81 PolarHBondContact OG1-N 3.36Å; T77-Q81 PolarHBondContact OG1-O 3.05Å; K79-Q81 VanDerWaalsContact C-N 3.27Å; K79-Q81 PolarHBondContact O-N 2.97Å; Q81-V83 PolarHBondContact O-N 3.04Å | ||
| 82 | P | 94.5 | Very high | 93.2 | Very high | 45 Ų | 45 | 98.3 Ų | 98.3 | 29% | 0.292 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -50.7 | 131.9 | 169.2 | -34.3 | 41 | 0 | 0 | 0 | 115.1 | L76 M84 | L76-P82 HydrophobicContact CD2-CG 4.47Å; P82-M84 HydrophobicContact CB-SD 4.31Å; P82-M84 PolarHBondContact O-N 3.3Å |
| 83 | V | 95 | Very high | 93.2 | Very high | 35 Ų | 35 | 102.2 Ų | 102.2 | 21% | 0.212 | 49% | 0.485 | C | S | . | . | trans | -79 | 91.3 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | K75 T77 Q81 K85 H86 R87 | K75-V83 HydrophobicContact CB-CB 4.4Å; K75-V83 HydrophobicContact CB-CG2 4.44Å; K75-V83 HydrophobicContact CD-CB 4.49Å; K75-V83 HydrophobicContact CD-CG2 4.42Å; K75-V83 HydrophobicContact CG-CB 4.29Å; K75-V83 HydrophobicContact CG-CG2 3.96Å; K75-V83 PolarHBondContact O-N 3.03Å; T77-V83 HydrophobicContact CG2-CG2 3.79Å; Q81-V83 PolarHBondContact O-N 3.04Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 3.36Å; V83-H86 HydrophobicContact CB-CB 4.05Å; V83-H86 HydrophobicContact CG1-CB 3.78Å; V83-H86 WeakPolarHBondContact O-CB 3.35Å; V83-H86 PolarHBondContact O-N 2.86Å; V83-H86 VanDerWaalsContact O-N 3.12Å; V83-R87 PolarHBondContact O-N 3.16Å; V83-R87 VanDerWaalsContact O-N 3.16Å | ||
| 84 | M | 94.2 | Very high | 93 | Very high | 114 Ų | 114 | 105.3 Ų | 105.3 | 56% | 0.562 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58 | -41 | -176.4 | -66.9 | -57.6 | -71.4 | 0 | 0 | 113.3 | P82 H86 R87 I88 | P82-M84 HydrophobicContact CB-SD 4.31Å; P82-M84 PolarHBondContact O-N 3.3Å; M84-H86 VanDerWaalsContact C-N 3.28Å; M84-H86 PolarHBondContact O-N 3.13Å; M84-R87 PolarHBondContact O-N 2.96Å; M84-R87 VanDerWaalsContact O-N 3.16Å; M84-I88 VanDerWaalsContact O-CG1 3.32Å; M84-I88 WeakPolarHBondContact O-CG1 3.47Å; M84-I88 PolarHBondContact O-N 3.09Å |
| 85 | K | 94.3 | Very high | 92.9 | Very high | 180 Ų | 180 | 105.2 Ų | 105.2 | 78% | 0.783 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.2 | -41.3 | 176.4 | -174.3 | 177.2 | -177.7 | 176.3 | 0 | 112.5 | V83 K89 | V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 3.36Å; K85-K89 WeakPolarHBondContact O-CB 3.42Å; K85-K89 PolarHBondContact O-N 3.1Å; K85-K89 VanDerWaalsContact O-N 3.07Å |
| 86 | H | 94.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 102.2 Ų | 102.2 | 24% | 0.236 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 177.3 | 175 | 75.1 | 0 | 0 | 0 | 111.2 | S72 K75 V83 M84 K89 L90 | S72-H86 PolarHBondContact O-NE2 3.45Å; K75-H86 VanDerWaalsContact CB-CD2 3.46Å; K75-H86 WeakPolarHBondContact CB-CD2 3.37Å; K75-H86 HydrophobicContact CD-CB 4.08Å; V83-H86 HydrophobicContact CB-CB 4.05Å; V83-H86 HydrophobicContact CG1-CB 3.78Å; V83-H86 WeakPolarHBondContact O-CB 3.35Å; V83-H86 PolarHBondContact O-N 2.86Å; V83-H86 VanDerWaalsContact O-N 3.12Å; M84-H86 VanDerWaalsContact C-N 3.28Å; M84-H86 PolarHBondContact O-N 3.13Å; H86-K89 PolarHBondContact O-N 2.85Å; H86-L90 WeakPolarHBondContact NE2-CD1 3.39Å; H86-L90 WeakPolarHBondContact O-CG 3.32Å; H86-L90 PolarHBondContact O-N 3.19Å |
| 87 | R | 92.8 | Very high | 91.8 | Very high | 73 Ų | 73 | 103.4 Ų | 103.4 | 28% | 0.275 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 178.1 | -67.4 | -176.5 | 172.6 | -176.6 | -0.1 | 112.2 | M73 V83 M84 K89 L90 L91 | M73-R87 HydrophobicContact CB-CG 4.09Å; M73-R87 HydrophobicContact CG-CG 4.21Å; M73-R87 PolarHBondContact O-NE 3.48Å; V83-R87 PolarHBondContact O-N 3.16Å; V83-R87 VanDerWaalsContact O-N 3.16Å; M84-R87 PolarHBondContact O-N 2.96Å; M84-R87 VanDerWaalsContact O-N 3.16Å; R87-K89 VanDerWaalsContact C-N 3.33Å; R87-K89 PolarHBondContact O-N 3.16Å; R87-L90 PolarHBondContact O-N 2.91Å; R87-L91 WeakPolarHBondContact O-CG 3.42Å; R87-L91 PolarHBondContact O-N 2.74Å |
| 88 | I | 92.6 | Very high | 91 | Very high | 84 Ų | 84 | 103.6 Ų | 103.6 | 43% | 0.431 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 177.6 | -66.3 | 165.5 | 0 | 0 | 0 | 110.2 | M84 L90 L91 L92 | M84-I88 VanDerWaalsContact O-CG1 3.32Å; M84-I88 WeakPolarHBondContact O-CG1 3.47Å; M84-I88 PolarHBondContact O-N 3.09Å; I88-L90 VanDerWaalsContact C-N 3.31Å; I88-L90 PolarHBondContact O-N 3.49Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-L91 VanDerWaalsContact O-N 3.13Å; I88-L92 HydrophobicContact CG2-CD1 3.83Å; I88-L92 HydrophobicContact CG2-CG 4.14Å; I88-L92 WeakPolarHBondContact O-CG 3.37Å; I88-L92 PolarHBondContact O-N 2.88Å |
| 89 | K | 92.6 | Very high | 89.7 | Confident | 159 Ų | 159 | 97.3 Ų | 97.3 | 69% | 0.691 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.7 | -44.5 | 175.9 | -175.4 | 177.6 | -178.9 | 176.7 | 0 | 112.1 | K85 H86 R87 K93 | K85-K89 WeakPolarHBondContact O-CB 3.42Å; K85-K89 PolarHBondContact O-N 3.1Å; K85-K89 VanDerWaalsContact O-N 3.07Å; H86-K89 PolarHBondContact O-N 2.85Å; R87-K89 VanDerWaalsContact C-N 3.33Å; R87-K89 PolarHBondContact O-N 3.16Å; K89-K93 PolarHBondContact O-N 3.46Å; K89-K93 VanDerWaalsContact O-N 3.1Å |
| 90 | L | 91.9 | Very high | 87.7 | Confident | 42 Ų | 42 | 96 Ų | 96 | 22% | 0.22 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 176.7 | -70.8 | 177.7 | 0 | 0 | 0 | 112.5 | S72 M73 H86 R87 I88 Q94 | S72-L90 WeakPolarHBondContact O-CD1 3.38Å; M73-L90 HydrophobicContact CG-CD1 3.93Å; H86-L90 WeakPolarHBondContact NE2-CD1 3.39Å; H86-L90 WeakPolarHBondContact O-CG 3.32Å; H86-L90 PolarHBondContact O-N 3.19Å; R87-L90 PolarHBondContact O-N 2.91Å; I88-L90 VanDerWaalsContact C-N 3.31Å; I88-L90 PolarHBondContact O-N 3.49Å; L90-Q94 WeakPolarHBondContact O-CG 3.42Å; L90-Q94 PolarHBondContact O-N 3.14Å |
| 91 | L | 90.9 | Very high | 87.4 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 39% | 0.387 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68 | -43.5 | 177.6 | -69.5 | 171.9 | 0 | 0 | 0 | 112 | M73 R87 I88 K93 Q94 L95 | M73-L91 HydrophobicContact SD-CD2 4.41Å; R87-L91 WeakPolarHBondContact O-CG 3.42Å; R87-L91 PolarHBondContact O-N 2.74Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-L91 VanDerWaalsContact O-N 3.13Å; L91-K93 PolarHBondContact O-N 3.16Å; L91-Q94 WeakPolarHBondContact O-CB 3.42Å; L91-Q94 PolarHBondContact O-N 3.12Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L91-L95 PolarHBondContact O-N 3.1Å |
| 92 | L | 91.5 | Very high | 87 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.5 | -71.4 | 174.8 | 0 | 0 | 0 | 111.5 | I88 Q94 L95 C96 | I88-L92 HydrophobicContact CG2-CD1 3.83Å; I88-L92 HydrophobicContact CG2-CG 4.14Å; I88-L92 WeakPolarHBondContact O-CG 3.37Å; I88-L92 PolarHBondContact O-N 2.88Å; L92-Q94 PolarHBondContact O-N 3.03Å; L92-Q94 VanDerWaalsContact O-N 3.16Å; L92-L95 PolarHBondContact O-N 3.07Å; L92-C96 PolarHBondContact O-N 3.32Å |
| 93 | K | 89.8 | Confident | 86.6 | Confident | 137 Ų | 137 | 100.3 Ų | 100.3 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.9 | -29.9 | 174.6 | -172.5 | 175.1 | -178.3 | 177.4 | 0 | 112.9 | K89 L91 | K89-K93 PolarHBondContact O-N 3.46Å; K89-K93 VanDerWaalsContact O-N 3.1Å; L91-K93 PolarHBondContact O-N 3.16Å |
| 94 | Q | 87.3 | Confident | 86.1 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.444 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.5 | -30.3 | 176.9 | -70.7 | 176.3 | 8.1 | 0 | 0 | 113.2 | L90 L91 L92 | L90-Q94 WeakPolarHBondContact O-CG 3.42Å; L90-Q94 PolarHBondContact O-N 3.14Å; L91-Q94 WeakPolarHBondContact O-CB 3.42Å; L91-Q94 PolarHBondContact O-N 3.12Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L92-Q94 PolarHBondContact O-N 3.03Å; L92-Q94 VanDerWaalsContact O-N 3.16Å |
| 95 | L | 88.9 | Confident | 85.6 | Confident | 138 Ų | 138 | 103.5 Ų | 103.5 | 72% | 0.723 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -81.8 | -36 | 178.9 | -65.3 | 174.2 | 0 | 0 | 0 | 111.6 | L91 L92 P97 | L91-L95 PolarHBondContact O-N 3.1Å; L92-L95 PolarHBondContact O-N 3.07Å; L95-P97 WeakPolarHBondContact O-CD 3.38Å |
| 96 | C | 87.9 | Confident | 85.1 | Confident | 53 Ų | 53 | 98.4 Ų | 98.4 | 36% | 0.358 | 54% | 0.541 | S | S | . | . | trans | -121.6 | 78.6 | -179.7 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | L92 G98 D99 | L92-C96 PolarHBondContact O-N 3.32Å; C96-G98 PolarHBondContact O-N 3.04Å; C96-D99 HydrophobicContact CB-CB 3.83Å; C96-D99 VanDerWaalsContact CB-OD2 3.26Å; C96-D99 WeakPolarHBondContact CB-OD2 3.26Å; C96-D99 PolarHBondContact O-N 3.33Å; C96-D99 PolarHBondContact SG-OD2 3.25Å | ||
| 97 | P | 78.2 | Confident | 84.4 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 74% | 0.74 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -4.7 | -177.1 | 24.8 | -32.9 | 0 | 0 | 0 | 115.1 | L95 | L95-P97 WeakPolarHBondContact O-CD 3.38Š|
| 98 | G | 77 | Confident | 83.8 | Confident | 65 Ų | 65 | 104 Ų | 104 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -8.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | C96 S100 | C96-G98 PolarHBondContact O-N 3.04Å; G98-S100 PolarHBondContact O-N 3.27Å |
| 99 | D | 65.6 | Low | 83 | Confident | 131 Ų | 131 | 105.7 Ų | 105.7 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | trans | -95.9 | 73.7 | -176.7 | -62.3 | -17.7 | 0 | 0 | 0 | 109.5 | C96 | C96-D99 HydrophobicContact CB-CB 3.83Å; C96-D99 VanDerWaalsContact CB-OD2 3.26Å; C96-D99 WeakPolarHBondContact CB-OD2 3.26Å; C96-D99 PolarHBondContact O-N 3.33Å; C96-D99 PolarHBondContact SG-OD2 3.25Å | ||
| 100 | S | 55 | Low | 82.2 | Confident | 162 Ų | 162 | 100.8 Ų | 100.8 | 100% | 1.133 | 59% | 0.589 | S | S | * | * | trans | -148.2 | 0 | 168.7 | 59.3 | 0 | 0 | 0 | 0 | 112 | G98 | G98-S100 PolarHBondContact O-N 3.27Š|
Retrieved 100 of 100 residues in 24.1 ms
(Link to these results)