| 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 | 42.8 | Very low | 43 | Very low | 254 Ų | 254 | 172.1 Ų | 172.1 | 100% | 1.251 | 88% | 0.881 | S | S | * | * | 0 | 118.3 | 0 | -78.8 | 165 | 125.7 | 0 | 0 | 108.6 | |||||
| 2 | A | 39.2 | Very low | 42.7 | Very low | 91 Ų | 91 | 173.4 Ų | 173.4 | 75% | 0.752 | 88% | 0.881 | S | S | * | * | trans | -152.4 | 128.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 3 | P | 44 | Very low | 42.4 | Very low | 132 Ų | 132 | 164.1 Ų | 164.1 | 86% | 0.857 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 129.8 | -176.5 | 30.9 | -30.5 | 0 | 0 | 0 | 110.7 | ||
| 4 | K | 45.8 | Very low | 42.3 | Very low | 208 Ų | 208 | 158.8 Ų | 158.8 | 90% | 0.904 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 126.6 | 173 | -70.4 | -178.2 | 175.4 | -178.8 | 0 | 109.4 | ||
| 5 | K | 44.1 | Very low | 42.3 | Very low | 206 Ų | 206 | 154.7 Ų | 154.7 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -60 | 134.1 | 175 | -77.5 | 180 | 174.9 | -180 | 0 | 111.1 | ||
| 6 | A | 46 | Very low | 42.7 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 127.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R8 | A6-R8 PolarHBondContact O-N 2.95Š|
| 7 | K | 42 | Very low | 43.9 | Very low | 206 Ų | 206 | 146.3 Ų | 146.3 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | trans | -88.5 | 95.4 | 163.4 | -168.9 | 166 | -176.3 | 175.2 | 0 | 107.4 | R9 | K7-R9 PolarHBondContact O-N 3.43Š| ||
| 8 | R | 43.6 | Very low | 45.4 | Very low | 233 Ų | 233 | 139 Ų | 139 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 121.9 | 168.2 | -70.1 | -176.1 | 174.2 | -171.2 | -2.5 | 107.3 | A6 A10 | A6-R8 PolarHBondContact O-N 2.95Å; R8-A10 PolarHBondContact O-N 3.16Å |
| 9 | R | 41.3 | Very low | 46.7 | Very low | 241 Ų | 241 | 135.6 Ų | 135.6 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 125.4 | 165.5 | -77.6 | -177.6 | 176.5 | -176.1 | -2.6 | 106.7 | K7 V11 | K7-R9 PolarHBondContact O-N 3.43Å; R9-V11 PolarHBondContact O-N 3Å |
| 10 | A | 39.5 | Very low | 48.3 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | R8 E12 | R8-A10 PolarHBondContact O-N 3.16Å; A10-E12 VanDerWaalsContact C-N 3.34Å; A10-E12 PolarHBondContact O-N 2.73Å; A10-E12 VanDerWaalsContact O-N 3.09Å |
| 11 | V | 44.4 | Very low | 49.5 | Very low | 143 Ų | 143 | 131 Ų | 131 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | trans | -70.8 | 97.9 | 166.9 | 175.6 | 0 | 0 | 0 | 0 | 105.4 | R9 | R9-V11 PolarHBondContact O-N 3Š| ||
| 12 | E | 39.9 | Very low | 51.3 | Low | 188 Ų | 188 | 119.8 Ų | 119.8 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | trans | -71.1 | 129.4 | 166.1 | -89.2 | 177.7 | 105.5 | 0 | 0 | 109.1 | A10 | A10-E12 VanDerWaalsContact C-N 3.34Å; A10-E12 PolarHBondContact O-N 2.73Å; A10-E12 VanDerWaalsContact O-N 3.09Å | ||
| 13 | G | 38.8 | Very low | 53.4 | Low | 52 Ų | 52 | 119.4 Ų | 119.4 | 54% | 0.536 | 66% | 0.66 | S | S | . | * | trans | 88.5 | 52.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | S15 | G13-S15 PolarHBondContact O-N 3.4Š| ||
| 14 | G | 40.6 | Very low | 55.2 | Low | 90 Ų | 90 | 121.3 Ų | 121.3 | 93% | 0.928 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 19.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 15 | S | 42.9 | Very low | 57.1 | Low | 98 Ų | 98 | 115.9 Ų | 115.9 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | 5.8 | -176.2 | 80.9 | 0 | 0 | 0 | 0 | 115.1 | G13 | G13-S15 PolarHBondContact O-N 3.4Š|
| 16 | S | 48.6 | Very low | 58.9 | Low | 80 Ų | 80 | 109.5 Ų | 109.5 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -114 | 8.5 | -169.9 | 56.4 | 0 | 0 | 0 | 0 | 116 | S20 | S16-S20 PolarHBondContact O-OG 2.89Š|
| 17 | S | 62.8 | Low | 60.9 | Low | 86 Ų | 86 | 106.7 Ų | 106.7 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -102.1 | -28.8 | -176.6 | -82.8 | 0 | 0 | 0 | 0 | 116.2 | S20 M21 | S17-S20 PolarHBondContact O-OG 3.01Å; S17-M21 WeakPolarHBondContact O-CE 3.49Å; S17-M21 VanDerWaalsContact O-CG 3.3Å; S17-M21 WeakPolarHBondContact O-CG 3.49Å |
| 18 | V | 70.7 | Confident | 63.1 | Low | 15 Ų | 15 | 101.1 Ų | 101.1 | 9% | 0.091 | 57% | 0.565 | C | S | . | * | S | Bend | trans | -88.9 | -41.5 | -176.7 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | S20 M21 F22 T81 L84 | V18-S20 PolarHBondContact O-N 3.13Å; V18-M21 HydrophobicContact CB-CE 4.39Å; V18-M21 HydrophobicContact CG2-CE 4.48Å; V18-M21 HydrophobicContact CG2-SD 4.36Å; V18-M21 WeakPolarHBondContact O-CB 3.43Å; V18-M21 WeakPolarHBondContact O-CG 3.17Å; V18-M21 PolarHBondContact O-N 3.16Å; V18-F22 HydrophobicContact CG2-CE2 4.36Å; V18-T81 HydrophobicContact CG1-CG2 4.24Å; V18-L84 HydrophobicContact CG2-CB 4.09Å; V18-L84 WeakPolarHBondContact CG2-O 3.41Å |
| 19 | F | 70.9 | Confident | 65.3 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 33% | 0.329 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.9 | 176.1 | -72.2 | -81.8 | 0 | 0 | 0 | 113.1 | M21 I27 F80 T81 L84 | F19-M21 VanDerWaalsContact C-N 3.32Å; F19-I27 HydrophobicContact CD1-CD1 4.15Å; F19-I27 HydrophobicContact CD1-CG1 4.49Å; F19-I27 HydrophobicContact CD1-CG2 4.4Å; F19-I27 HydrophobicContact CE1-CG2 4.41Å; F19-F80 HydrophobicContact CE1-CE1 4.05Å; F19-F80 HydrophobicContact CZ-CD1 4.4Å; F19-F80 HydrophobicContact CZ-CE1 4.36Å; F19-T81 HydrophobicContact CE2-CG2 4.34Å; F19-L84 HydrophobicContact CD1-CD1 3.71Å; F19-L84 HydrophobicContact CE1-CD1 3.2Å; F19-L84 HydrophobicContact CE2-CD1 4.43Å; F19-L84 HydrophobicContact CZ-CD1 3.61Å |
| 20 | S | 77.6 | Confident | 67.6 | Low | 90 Ų | 90 | 85.8 Ų | 85.8 | 63% | 0.629 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.3 | 173.2 | 57 | 0 | 0 | 0 | 0 | 113.8 | S16 S17 V18 F22 | S16-S20 PolarHBondContact O-OG 2.89Å; S17-S20 PolarHBondContact O-OG 3.01Å; V18-S20 PolarHBondContact O-N 3.13Å; S20-F22 VanDerWaalsContact C-N 3.29Å |
| 21 | M | 73.2 | Confident | 70.1 | Confident | 84 Ų | 84 | 86.8 Ų | 86.8 | 41% | 0.414 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -79.9 | -16.9 | 178.5 | -55.1 | -177.8 | -164.2 | 0 | 0 | 112.1 | S17 V18 F19 | S17-M21 WeakPolarHBondContact O-CE 3.49Å; S17-M21 VanDerWaalsContact O-CG 3.3Å; S17-M21 WeakPolarHBondContact O-CG 3.49Å; V18-M21 HydrophobicContact CB-CE 4.39Å; V18-M21 HydrophobicContact CG2-CE 4.48Å; V18-M21 HydrophobicContact CG2-SD 4.36Å; V18-M21 WeakPolarHBondContact O-CB 3.43Å; V18-M21 WeakPolarHBondContact O-CG 3.17Å; V18-M21 PolarHBondContact O-N 3.16Å; F19-M21 VanDerWaalsContact C-N 3.32Å |
| 22 | F | 80.8 | Confident | 72.4 | Confident | 18 Ų | 18 | 85.2 Ų | 85.2 | 8% | 0.079 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -124.7 | 146.5 | -172.6 | -60 | -66 | 0 | 0 | 0 | 110.5 | V18 S20 Q26 I27 F30 L84 F87 L91 | V18-F22 HydrophobicContact CG2-CE2 4.36Å; S20-F22 VanDerWaalsContact C-N 3.29Å; F22-Q26 HydrophobicContact CB-CB 4.12Å; F22-Q26 HydrophobicContact CD1-CB 4.43Å; F22-I27 HydrophobicContact CB-CD1 4.29Å; F22-I27 HydrophobicContact CB-CG1 3.75Å; F22-F30 AromaticContact CD1-CE2 3.71Å; F22-F30 HydrophobicContact CD1-CE2 3.71Å; F22-F30 HydrophobicContact CD2-CE2 4.49Å; F22-F30 AromaticContact CE1-CE2 3.63Å; F22-F30 HydrophobicContact CE1-CE2 3.63Å; F22-F30 HydrophobicContact CE1-CZ 4.05Å; F22-F30 HydrophobicContact CE2-CE2 4.41Å; F22-F30 HydrophobicContact CG-CE2 4.12Å; F22-F30 AromaticContact CZ-CE2 3.95Å; F22-F30 HydrophobicContact CZ-CE2 3.95Å; F22-F30 HydrophobicContact CZ-CZ 4.34Å; F22-L84 HydrophobicContact CD2-CD2 4.31Å; F22-L84 HydrophobicContact CE2-CD2 4.29Å; F22-L84 WeakPolarHBondContact CE2-O 3.49Å; F22-F87 HydrophobicContact CZ-CB 4.25Å; F22-L91 HydrophobicContact CE1-CD1 3.74Å; F22-L91 HydrophobicContact CZ-CD1 4.26Å |
| 23 | D | 83.3 | Confident | 74.8 | Confident | 84 Ų | 84 | 78.3 Ų | 78.3 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | trans | -75.6 | 170.4 | 169 | 71.8 | 46 | 0 | 0 | 0 | 111.7 | T25 Q26 I27 | D23-T25 VanDerWaalsContact C-N 3.25Å; D23-T25 PolarHBondContact O-N 2.99Å; D23-T25 WeakPolarHBondContact OD1-CA 3.42Å; D23-T25 VanDerWaalsContact OD1-CB 3.22Å; D23-T25 WeakPolarHBondContact OD1-CB 3.42Å; D23-T25 PolarHBondContact OD1-N 3.5Å; D23-Q26 PolarHBondContact O-N 2.86Å; D23-Q26 PolarHBondContact OD1-N 2.97Å; D23-I27 WeakPolarHBondContact O-CD1 3.48Å; D23-I27 VanDerWaalsContact O-CG1 3.25Å; D23-I27 WeakPolarHBondContact O-CG1 3.36Å; D23-I27 PolarHBondContact O-N 3.44Å | ||
| 24 | Q | 82.9 | Confident | 77.5 | Confident | 172 Ų | 172 | 76.4 Ų | 76.4 | 80% | 0.804 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.1 | -29.8 | -178.2 | -73.9 | -161.9 | -15.5 | 0 | 0 | 113.6 | Q28 | Q24-Q28 WeakPolarHBondContact O-CB 3.26Å; Q24-Q28 PolarHBondContact O-N 2.75Å; Q24-Q28 VanDerWaalsContact O-N 3.08Å |
| 25 | T | 84.9 | Confident | 79.9 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 58% | 0.577 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.9 | -48.5 | 179.2 | -45.1 | 0 | 0 | 0 | 0 | 109.4 | D23 I27 Q28 E29 | D23-T25 VanDerWaalsContact C-N 3.25Å; D23-T25 PolarHBondContact O-N 2.99Å; D23-T25 WeakPolarHBondContact OD1-CA 3.42Å; D23-T25 VanDerWaalsContact OD1-CB 3.22Å; D23-T25 WeakPolarHBondContact OD1-CB 3.42Å; D23-T25 PolarHBondContact OD1-N 3.5Å; T25-I27 PolarHBondContact O-N 2.86Å; T25-Q28 WeakPolarHBondContact O-CB 3.31Å; T25-Q28 PolarHBondContact O-N 3.49Å; T25-Q28 VanDerWaalsContact O-N 3.09Å; T25-E29 WeakPolarHBondContact O-CG 3.42Å; T25-E29 PolarHBondContact O-N 2.93Å |
| 26 | Q | 83.3 | Confident | 82.3 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 33% | 0.332 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.9 | -67.6 | 178.1 | -49.2 | 0 | 0 | 111.7 | F22 D23 Q28 E29 F30 | F22-Q26 HydrophobicContact CB-CB 4.12Å; F22-Q26 HydrophobicContact CD1-CB 4.43Å; D23-Q26 PolarHBondContact O-N 2.86Å; D23-Q26 PolarHBondContact OD1-N 2.97Å; Q26-Q28 PolarHBondContact O-N 3.37Å; Q26-E29 PolarHBondContact O-N 3.2Å; Q26-F30 HydrophobicContact CB-CD2 4.45Å; Q26-F30 HydrophobicContact CB-CE2 4.18Å; Q26-F30 WeakPolarHBondContact O-CD2 3.41Å; Q26-F30 WeakPolarHBondContact O-CG 3.37Å; Q26-F30 PolarHBondContact O-N 3.2Å |
| 27 | I | 87.3 | Confident | 84.4 | Confident | 34 Ų | 34 | 73 Ų | 73 | 17% | 0.174 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 176.3 | -67.3 | 163.4 | 0 | 0 | 0 | 110.9 | F19 F22 D23 T25 K31 | F19-I27 HydrophobicContact CD1-CD1 4.15Å; F19-I27 HydrophobicContact CD1-CG1 4.49Å; F19-I27 HydrophobicContact CD1-CG2 4.4Å; F19-I27 HydrophobicContact CE1-CG2 4.41Å; F22-I27 HydrophobicContact CB-CD1 4.29Å; F22-I27 HydrophobicContact CB-CG1 3.75Å; D23-I27 WeakPolarHBondContact O-CD1 3.48Å; D23-I27 VanDerWaalsContact O-CG1 3.25Å; D23-I27 WeakPolarHBondContact O-CG1 3.36Å; D23-I27 PolarHBondContact O-N 3.44Å; T25-I27 PolarHBondContact O-N 2.86Å; I27-K31 WeakPolarHBondContact O-CB 3.4Å; I27-K31 PolarHBondContact O-N 2.99Å |
| 28 | Q | 88.2 | Confident | 86 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 178.4 | -176.3 | 57 | 41.8 | 0 | 0 | 111.5 | Q24 T25 Q26 F30 K31 E32 | Q24-Q28 WeakPolarHBondContact O-CB 3.26Å; Q24-Q28 PolarHBondContact O-N 2.75Å; Q24-Q28 VanDerWaalsContact O-N 3.08Å; T25-Q28 WeakPolarHBondContact O-CB 3.31Å; T25-Q28 PolarHBondContact O-N 3.49Å; T25-Q28 VanDerWaalsContact O-N 3.09Å; Q26-Q28 PolarHBondContact O-N 3.37Å; Q28-F30 PolarHBondContact O-N 3.05Å; Q28-K31 WeakPolarHBondContact O-CB 3.49Å; Q28-K31 PolarHBondContact O-N 3.31Å; Q28-K31 VanDerWaalsContact O-N 3.16Å; Q28-E32 PolarHBondContact NE2-OE1 3.25Å; Q28-E32 WeakPolarHBondContact O-CG 3.48Å; Q28-E32 PolarHBondContact O-N 2.88Å |
| 29 | E | 88.6 | Confident | 87 | Confident | 120 Ų | 120 | 73.2 Ų | 73.2 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.1 | -45.4 | 174 | -71.4 | 178.5 | 169.8 | 0 | 0 | 111.8 | T25 Q26 K31 E32 A33 | T25-E29 WeakPolarHBondContact O-CG 3.42Å; T25-E29 PolarHBondContact O-N 2.93Å; Q26-E29 PolarHBondContact O-N 3.2Å; E29-K31 VanDerWaalsContact C-N 3.26Å; E29-K31 PolarHBondContact O-N 2.79Å; E29-E32 PolarHBondContact O-N 3.12Å; E29-A33 WeakPolarHBondContact O-CB 3.27Å; E29-A33 PolarHBondContact O-N 3.34Å |
| 30 | F | 90.5 | Very high | 88 | Confident | 31 Ų | 31 | 73.5 Ų | 73.5 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 175.4 | -72.3 | -54 | 0 | 0 | 0 | 112.3 | F22 Q26 Q28 F34 F80 F83 L84 F87 L91 | F22-F30 AromaticContact CD1-CE2 3.71Å; F22-F30 HydrophobicContact CD1-CE2 3.71Å; F22-F30 HydrophobicContact CD2-CE2 4.49Å; F22-F30 AromaticContact CE1-CE2 3.63Å; F22-F30 HydrophobicContact CE1-CE2 3.63Å; F22-F30 HydrophobicContact CE1-CZ 4.05Å; F22-F30 HydrophobicContact CE2-CE2 4.41Å; F22-F30 HydrophobicContact CG-CE2 4.12Å; F22-F30 AromaticContact CZ-CE2 3.95Å; F22-F30 HydrophobicContact CZ-CE2 3.95Å; F22-F30 HydrophobicContact CZ-CZ 4.34Å; Q26-F30 HydrophobicContact CB-CD2 4.45Å; Q26-F30 HydrophobicContact CB-CE2 4.18Å; Q26-F30 WeakPolarHBondContact O-CD2 3.41Å; Q26-F30 WeakPolarHBondContact O-CG 3.37Å; Q26-F30 PolarHBondContact O-N 3.2Å; Q28-F30 PolarHBondContact O-N 3.05Å; F30-F34 VanDerWaalsContact O-CB 3.27Å; F30-F34 WeakPolarHBondContact O-CB 3.45Å; F30-F34 PolarHBondContact O-N 2.93Å; F30-F80 HydrophobicContact CB-CE2 4.25Å; F30-F80 HydrophobicContact CB-CZ 4.47Å; F30-F83 HydrophobicContact CB-CE1 4.29Å; F30-F83 HydrophobicContact CD1-CE1 4.14Å; F30-L84 HydrophobicContact CB-CD2 3.57Å; F30-L84 HydrophobicContact CD2-CD2 3.47Å; F30-L84 VanDerWaalsContact CD2-CD2 3.47Å; F30-L84 HydrophobicContact CE2-CD2 4.34Å; F30-L84 HydrophobicContact CG-CD2 3.65Å; F30-F87 HydrophobicContact CD1-CD2 4.44Å; F30-F87 HydrophobicContact CD1-CG 4.31Å; F30-F87 HydrophobicContact CE1-CB 4.03Å; F30-F87 AromaticContact CE1-CD1 3.72Å; F30-F87 HydrophobicContact CE1-CD1 3.72Å; F30-F87 HydrophobicContact CE1-CD2 4.27Å; F30-F87 HydrophobicContact CE1-CE1 4.27Å; F30-F87 AromaticContact CE1-CG 3.72Å; F30-F87 HydrophobicContact CE1-CG 3.72Å; F30-F87 HydrophobicContact CZ-CB 4.1Å; F30-F87 HydrophobicContact CZ-CD1 4.32Å; F30-F87 HydrophobicContact CZ-CG 4.28Å; F30-L91 HydrophobicContact CZ-CD1 4.18Å |
| 31 | K | 91.9 | Very high | 88.7 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 47% | 0.474 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 177.2 | -170.7 | 177.7 | 179.7 | -177.5 | 0 | 111.8 | I27 Q28 E29 F34 T35 F80 | I27-K31 WeakPolarHBondContact O-CB 3.4Å; I27-K31 PolarHBondContact O-N 2.99Å; Q28-K31 WeakPolarHBondContact O-CB 3.49Å; Q28-K31 PolarHBondContact O-N 3.31Å; Q28-K31 VanDerWaalsContact O-N 3.16Å; E29-K31 VanDerWaalsContact C-N 3.26Å; E29-K31 PolarHBondContact O-N 2.79Å; K31-F34 PolarHBondContact O-N 3.23Å; K31-T35 WeakPolarHBondContact O-CB 3.28Å; K31-T35 PolarHBondContact O-N 3.41Å; K31-T35 PolarHBondContact O-OG1 3.34Å; K31-F80 VanDerWaalsContact CA-CE2 3.48Å; K31-F80 HydrophobicContact CB-CE2 3.98Å; K31-F80 HydrophobicContact CB-CZ 3.72Å; K31-F80 HydrophobicContact CG-CE2 4.45Å; K31-F80 HydrophobicContact CG-CZ 4.23Å |
| 32 | E | 92.5 | Very high | 89.6 | Confident | 109 Ų | 109 | 79.1 Ų | 79.1 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | 174.7 | -73.4 | 172.7 | -160.8 | 0 | 0 | 110.9 | Q28 E29 F34 T35 V36 | Q28-E32 PolarHBondContact NE2-OE1 3.25Å; Q28-E32 WeakPolarHBondContact O-CG 3.48Å; Q28-E32 PolarHBondContact O-N 2.88Å; E29-E32 PolarHBondContact O-N 3.12Å; E32-F34 PolarHBondContact O-N 3.26Å; E32-T35 PolarHBondContact O-N 2.88Å; E32-T35 VanDerWaalsContact O-N 3.16Å; E32-V36 WeakPolarHBondContact O-CG2 3.47Å; E32-V36 PolarHBondContact O-N 3.45Å |
| 33 | A | 91.7 | Very high | 90.2 | Very high | 43 Ų | 43 | 79.8 Ų | 79.8 | 36% | 0.355 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E29 T35 V36 I37 | E29-A33 WeakPolarHBondContact O-CB 3.27Å; E29-A33 PolarHBondContact O-N 3.34Å; A33-T35 VanDerWaalsContact C-N 3.3Å; A33-T35 PolarHBondContact O-N 2.97Å; A33-V36 PolarHBondContact O-N 2.87Å; A33-V36 VanDerWaalsContact O-N 3.13Å; A33-I37 WeakPolarHBondContact O-CG1 3.44Å; A33-I37 PolarHBondContact O-N 2.89Å |
| 34 | F | 93.7 | Very high | 90.8 | Very high | 12 Ų | 12 | 79 Ų | 79 | 5% | 0.053 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 176.3 | -172.7 | -85.4 | 0 | 0 | 0 | 111.6 | F30 K31 E32 V36 I37 D38 G43 I45 F80 F83 | F30-F34 VanDerWaalsContact O-CB 3.27Å; F30-F34 WeakPolarHBondContact O-CB 3.45Å; F30-F34 PolarHBondContact O-N 2.93Å; K31-F34 PolarHBondContact O-N 3.23Å; E32-F34 PolarHBondContact O-N 3.26Å; F34-V36 VanDerWaalsContact C-N 3.28Å; F34-V36 PolarHBondContact O-N 2.87Å; F34-I37 PolarHBondContact O-N 3.42Å; F34-I37 VanDerWaalsContact O-N 3.15Å; F34-D38 HydrophobicContact CD1-CB 4.2Å; F34-D38 HydrophobicContact CE1-CB 3.91Å; F34-D38 VanDerWaalsContact O-CB 3.31Å; F34-D38 WeakPolarHBondContact O-CB 3.49Å; F34-D38 PolarHBondContact O-N 3.34Å; F34-G43 WeakPolarHBondContact CZ-O 3.22Å; F34-I45 HydrophobicContact CD2-CD1 3.48Å; F34-I45 VanDerWaalsContact CD2-CD1 3.48Å; F34-I45 HydrophobicContact CD2-CG1 4.12Å; F34-I45 HydrophobicContact CE2-CD1 3.42Å; F34-I45 VanDerWaalsContact CE2-CD1 3.42Å; F34-I45 HydrophobicContact CE2-CG1 3.64Å; F34-I45 HydrophobicContact CG-CD1 4.32Å; F34-I45 HydrophobicContact CZ-CD1 4.21Å; F34-I45 HydrophobicContact CZ-CG1 3.94Å; F34-F80 HydrophobicContact CB-CD2 3.76Å; F34-F80 HydrophobicContact CB-CE2 4.06Å; F34-F80 HydrophobicContact CD1-CD2 4.29Å; F34-F80 HydrophobicContact CD2-CB 4.36Å; F34-F80 AromaticContact CD2-CD2 3.86Å; F34-F80 HydrophobicContact CD2-CD2 3.86Å; F34-F80 HydrophobicContact CE1-CB 4.47Å; F34-F80 HydrophobicContact CE2-CB 4.27Å; F34-F80 HydrophobicContact CG-CB 4.49Å; F34-F80 AromaticContact CG-CD2 3.69Å; F34-F80 HydrophobicContact CG-CD2 3.69Å; F34-F80 HydrophobicContact CG-CE2 4.48Å; F34-F80 HydrophobicContact CZ-CB 4.34Å; F34-F83 HydrophobicContact CB-CD1 4.49Å; F34-F83 HydrophobicContact CB-CE1 4.4Å; F34-F83 HydrophobicContact CD2-CB 3.89Å; F34-F83 HydrophobicContact CD2-CD1 4.06Å; F34-F83 HydrophobicContact CD2-CD2 4.07Å; F34-F83 AromaticContact CD2-CG 3.77Å; F34-F83 HydrophobicContact CD2-CG 3.77Å; F34-F83 HydrophobicContact CE2-CB 4.09Å; F34-F83 HydrophobicContact CE2-CG 4.38Å |
| 35 | T | 92.4 | Very high | 91.4 | Very high | 73 Ų | 73 | 71 Ų | 71 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.5 | -28.9 | 178.9 | -53.2 | 0 | 0 | 0 | 0 | 112.6 | K31 E32 A33 | K31-T35 WeakPolarHBondContact O-CB 3.28Å; K31-T35 PolarHBondContact O-N 3.41Å; K31-T35 PolarHBondContact O-OG1 3.34Å; E32-T35 PolarHBondContact O-N 2.88Å; E32-T35 VanDerWaalsContact O-N 3.16Å; A33-T35 VanDerWaalsContact C-N 3.3Å; A33-T35 PolarHBondContact O-N 2.97Å |
| 36 | V | 91.9 | Very high | 91.8 | Very high | 94 Ų | 94 | 69 Ų | 69 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -73.5 | -33.2 | 173.5 | 171.3 | 0 | 0 | 0 | 0 | 111 | E32 A33 F34 Q39 | E32-V36 WeakPolarHBondContact O-CG2 3.47Å; E32-V36 PolarHBondContact O-N 3.45Å; A33-V36 PolarHBondContact O-N 2.87Å; A33-V36 VanDerWaalsContact O-N 3.13Å; F34-V36 VanDerWaalsContact C-N 3.28Å; F34-V36 PolarHBondContact O-N 2.87Å; V36-Q39 PolarHBondContact O-NE2 3.48Å |
| 37 | I | 94.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 68.2 Ų | 68.2 | 15% | 0.149 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -79.7 | -45.8 | -179.8 | -59.6 | 161.2 | 0 | 0 | 0 | 111.1 | A33 F34 Q39 I45 D49 L50 T53 F83 | A33-I37 WeakPolarHBondContact O-CG1 3.44Å; A33-I37 PolarHBondContact O-N 2.89Å; F34-I37 PolarHBondContact O-N 3.42Å; F34-I37 VanDerWaalsContact O-N 3.15Å; I37-Q39 VanDerWaalsContact C-N 3.3Å; I37-Q39 PolarHBondContact O-N 3.37Å; I37-I45 HydrophobicContact CB-CD1 3.95Å; I37-I45 HydrophobicContact CB-CG1 4.27Å; I37-I45 HydrophobicContact CD1-CD1 4.26Å; I37-I45 HydrophobicContact CG2-CB 4.37Å; I37-I45 HydrophobicContact CG2-CD1 3.7Å; I37-I45 HydrophobicContact CG2-CG1 3.8Å; I37-I45 HydrophobicContact CG2-CG2 3.66Å; I37-D49 WeakPolarHBondContact O-CB 3.47Å; I37-L50 HydrophobicContact CG2-CD2 4Å; I37-T53 WeakPolarHBondContact CA-OG1 3.38Å; I37-T53 HydrophobicContact CG1-CG2 4.19Å; I37-T53 PolarHBondContact O-OG1 3.29Å; I37-F83 HydrophobicContact CD1-CE2 3.92Å; I37-F83 HydrophobicContact CD1-CZ 4.11Å |
| 38 | D | 95.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 73.3 Ų | 73.3 | 6% | 0.059 | 37% | 0.367 | C | S | . | . | trans | -71.3 | 79 | 178.4 | 178.9 | 12.2 | 0 | 0 | 0 | 110.8 | F34 N40 R41 D42 G43 I45 | F34-D38 HydrophobicContact CD1-CB 4.2Å; F34-D38 HydrophobicContact CE1-CB 3.91Å; F34-D38 VanDerWaalsContact O-CB 3.31Å; F34-D38 WeakPolarHBondContact O-CB 3.49Å; F34-D38 PolarHBondContact O-N 3.34Å; D38-N40 VanDerWaalsContact C-N 3.35Å; D38-N40 PolarHBondContact OD1-OD1 3.15Å; D38-N40 VanDerWaalsContact OD1-OD1 3.05Å; D38-R41 PolarHBondContact O-N 3.25Å; D38-R41 WeakPolarHBondContact OD1-CA 3.44Å; D38-R41 PolarHBondContact OD1-N 3.35Å; D38-R41 WeakPolarHBondContact OD2-CA 3.34Å; D38-D42 PolarHBondContact OD1-N 3.23Å; D38-G43 VanDerWaalsContact OD2-CA 3.26Å; D38-G43 WeakPolarHBondContact OD2-CA 3.48Å; D38-G43 PolarHBondContact OD2-N 2.9Å; D38-I45 HydrophobicContact CB-CG1 4.48Å | ||
| 39 | Q | 91.6 | Very high | 92.8 | Very high | 95 Ų | 95 | 69.2 Ų | 69.2 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -67.3 | -39 | -173.9 | -70.2 | -66.9 | -38 | 0 | 0 | 111.1 | V36 I37 R41 D49 D52 | V36-Q39 PolarHBondContact O-NE2 3.48Å; I37-Q39 VanDerWaalsContact C-N 3.3Å; I37-Q39 PolarHBondContact O-N 3.37Å; Q39-R41 VanDerWaalsContact C-N 3.32Å; Q39-D49 PolarHBondContact N-OD1 3.04Å; Q39-D52 HydrophobicContact CG-CB 4.03Å |
| 40 | N | 91.8 | Very high | 93 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -80 | -14.4 | -178.8 | 74.5 | 26 | 0 | 0 | 0 | 113 | D38 D42 D49 | D38-N40 VanDerWaalsContact C-N 3.35Å; D38-N40 PolarHBondContact OD1-OD1 3.15Å; D38-N40 VanDerWaalsContact OD1-OD1 3.05Å; N40-D42 VanDerWaalsContact C-N 3.33Å; N40-D42 VanDerWaalsContact OD1-CB 3.27Å; N40-D42 WeakPolarHBondContact OD1-CB 3.33Å; N40-D42 PolarHBondContact OD1-N 2.7Å; N40-D42 PolarHBondContact OD1-OD1 3.4Å; N40-D49 PolarHBondContact N-OD1 3.4Å |
| 41 | R | 92.2 | Very high | 93.1 | Very high | 200 Ų | 200 | 67.2 Ų | 67.2 | 76% | 0.755 | 34% | 0.336 | S | S | * | . | trans | 62.4 | 33.2 | 178.2 | -56.2 | -176.7 | 178.1 | -172.5 | -1.2 | 114 | D38 Q39 G43 | D38-R41 PolarHBondContact O-N 3.25Å; D38-R41 WeakPolarHBondContact OD1-CA 3.44Å; D38-R41 PolarHBondContact OD1-N 3.35Å; D38-R41 WeakPolarHBondContact OD2-CA 3.34Å; Q39-R41 VanDerWaalsContact C-N 3.32Å; R41-G43 VanDerWaalsContact C-N 3.3Å | ||
| 42 | D | 93.9 | Very high | 93.1 | Very high | 93 Ų | 93 | 66 Ų | 66 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -86 | -6.2 | 176.4 | 81.5 | 0.9 | 0 | 0 | 0 | 112.9 | D38 N40 I44 | D38-D42 PolarHBondContact OD1-N 3.23Å; N40-D42 VanDerWaalsContact C-N 3.33Å; N40-D42 VanDerWaalsContact OD1-CB 3.27Å; N40-D42 WeakPolarHBondContact OD1-CB 3.33Å; N40-D42 PolarHBondContact OD1-N 2.7Å; N40-D42 PolarHBondContact OD1-OD1 3.4Å; D42-I44 WeakPolarHBondContact OD1-CA 3.43Å; D42-I44 WeakPolarHBondContact OD1-CB 3.37Å; D42-I44 PolarHBondContact OD1-N 3.5Å |
| 43 | G | 93.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 61.4 Ų | 61.4 | 32% | 0.32 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 84.4 | 10.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F34 D38 R41 N79 | F34-G43 WeakPolarHBondContact CZ-O 3.22Å; D38-G43 VanDerWaalsContact OD2-CA 3.26Å; D38-G43 WeakPolarHBondContact OD2-CA 3.48Å; D38-G43 PolarHBondContact OD2-N 2.9Å; R41-G43 VanDerWaalsContact C-N 3.3Å; G43-N79 WeakPolarHBondContact O-CA 3.11Å |
| 44 | I | 94.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 35% | 0.354 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 118 | -179.7 | -56.1 | 178.1 | 0 | 0 | 0 | 108.7 | D42 D46 P77 | D42-I44 WeakPolarHBondContact OD1-CA 3.43Å; D42-I44 WeakPolarHBondContact OD1-CB 3.37Å; D42-I44 PolarHBondContact OD1-N 3.5Å; I44-D46 PolarHBondContact O-N 3.09Å; I44-P77 HydrophobicContact CG2-CB 3.88Å |
| 45 | I | 94.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122.2 | 173.9 | -63.9 | 166.2 | 0 | 0 | 0 | 109.2 | F34 I37 D38 D49 L50 I78 F83 | F34-I45 HydrophobicContact CD2-CD1 3.48Å; F34-I45 VanDerWaalsContact CD2-CD1 3.48Å; F34-I45 HydrophobicContact CD2-CG1 4.12Å; F34-I45 HydrophobicContact CE2-CD1 3.42Å; F34-I45 VanDerWaalsContact CE2-CD1 3.42Å; F34-I45 HydrophobicContact CE2-CG1 3.64Å; F34-I45 HydrophobicContact CG-CD1 4.32Å; F34-I45 HydrophobicContact CZ-CD1 4.21Å; F34-I45 HydrophobicContact CZ-CG1 3.94Å; I37-I45 HydrophobicContact CB-CD1 3.95Å; I37-I45 HydrophobicContact CB-CG1 4.27Å; I37-I45 HydrophobicContact CD1-CD1 4.26Å; I37-I45 HydrophobicContact CG2-CB 4.37Å; I37-I45 HydrophobicContact CG2-CD1 3.7Å; I37-I45 HydrophobicContact CG2-CG1 3.8Å; I37-I45 HydrophobicContact CG2-CG2 3.66Å; D38-I45 HydrophobicContact CB-CG1 4.48Å; I45-D49 HydrophobicContact CG2-CB 4.28Å; I45-L50 HydrophobicContact CG2-CD2 3.94Å; I45-L50 HydrophobicContact CG2-CG 3.96Å; I45-I78 HydrophobicContact CB-CB 4.1Å; I45-I78 HydrophobicContact CB-CG2 4.25Å; I45-I78 HydrophobicContact CD1-CG2 4.35Å; I45-I78 PolarHBondContact N-O 2.91Å; I45-F83 HydrophobicContact CD1-CD2 3.82Å; I45-F83 HydrophobicContact CD1-CE2 4Å |
| 46 | D | 93.9 | Very high | 92.7 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | trans | -112.3 | -173.6 | 173.7 | 79 | 21.4 | 0 | 0 | 0 | 113.6 | I44 E48 D49 L50 | I44-D46 PolarHBondContact O-N 3.09Å; D46-E48 VanDerWaalsContact C-N 3.34Å; D46-E48 WeakPolarHBondContact OD1-CA 3.43Å; D46-E48 WeakPolarHBondContact OD1-CB 3.27Å; D46-E48 PolarHBondContact OD1-N 2.83Å; D46-D49 PolarHBondContact N-OD2 2.92Å; D46-D49 PolarHBondContact OD1-N 3.44Å; D46-L50 WeakPolarHBondContact O-CG 3.25Å; D46-L50 PolarHBondContact O-N 3.09Å | ||
| 47 | K | 93.2 | Very high | 92.4 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.4 | -31.5 | -177.4 | -167.5 | 179.2 | -176.1 | 172.7 | 0 | 112.5 | R51 N64 L67 D68 M71 | K47-R51 WeakPolarHBondContact O-CB 3.48Å; K47-R51 PolarHBondContact O-N 3.08Å; K47-N64 WeakPolarHBondContact CE-O 3.32Å; K47-N64 WeakPolarHBondContact CE-OD1 3.45Å; K47-N64 PolarHBondContact NZ-O 3.39Å; K47-N64 PolarHBondContact NZ-OD1 2.98Å; K47-L67 HydrophobicContact CD-CB 4.39Å; K47-L67 HydrophobicContact CG-CB 3.9Å; K47-L67 HydrophobicContact CG-CD1 4.18Å; K47-D68 VanDerWaalsContact CE-OD1 3.31Å; K47-D68 WeakPolarHBondContact CE-OD1 2.99Å; K47-D68 IonicContact NZ-OD1 3.16Å; K47-D68 PolarHBondContact NZ-OD1 2.78Å; K47-D68 IonicContact NZ-OD2 2.61Å; K47-D68 PolarHBondContact NZ-OD2 2.87Å; K47-M71 HydrophobicContact CB-CG 4.45Å |
| 48 | E | 92.5 | Very high | 92.1 | Very high | 140 Ų | 140 | 65.6 Ų | 65.6 | 65% | 0.654 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -73 | -42.7 | 177.7 | -63.2 | -166 | 143.5 | 0 | 0 | 109.9 | D46 L50 R51 D52 | D46-E48 VanDerWaalsContact C-N 3.34Å; D46-E48 WeakPolarHBondContact OD1-CA 3.43Å; D46-E48 WeakPolarHBondContact OD1-CB 3.27Å; D46-E48 PolarHBondContact OD1-N 2.83Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.32Å; E48-R51 WeakPolarHBondContact O-CB 3.49Å; E48-R51 PolarHBondContact O-N 2.81Å; E48-R51 VanDerWaalsContact O-N 3.09Å; E48-D52 PolarHBondContact O-N 2.89Å |
| 49 | D | 94.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.7 | -47 | 173.8 | -72.5 | -43.3 | 0 | 0 | 0 | 112.5 | I37 Q39 N40 I45 D46 R51 D52 T53 | I37-D49 WeakPolarHBondContact O-CB 3.47Å; Q39-D49 PolarHBondContact N-OD1 3.04Å; N40-D49 PolarHBondContact N-OD1 3.4Å; I45-D49 HydrophobicContact CG2-CB 4.28Å; D46-D49 PolarHBondContact N-OD2 2.92Å; D46-D49 PolarHBondContact OD1-N 3.44Å; D49-R51 PolarHBondContact O-N 3Å; D49-D52 PolarHBondContact O-N 3.25Å; D49-T53 VanDerWaalsContact O-CB 3.28Å; D49-T53 WeakPolarHBondContact O-CB 3.43Å; D49-T53 PolarHBondContact O-N 2.85Å; D49-T53 PolarHBondContact O-OG1 2.9Å |
| 50 | L | 92.3 | Very high | 91.4 | Very high | 19 Ų | 19 | 72.7 Ų | 72.7 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.5 | -70.1 | 179 | 0 | 0 | 0 | 111.7 | I37 I45 D46 E48 D52 T53 F54 L67 M70 M71 | I37-L50 HydrophobicContact CG2-CD2 4Å; I45-L50 HydrophobicContact CG2-CD2 3.94Å; I45-L50 HydrophobicContact CG2-CG 3.96Å; D46-L50 WeakPolarHBondContact O-CG 3.25Å; D46-L50 PolarHBondContact O-N 3.09Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.32Å; L50-D52 VanDerWaalsContact C-N 3.34Å; L50-D52 PolarHBondContact O-N 3.31Å; L50-T53 PolarHBondContact O-N 3Å; L50-F54 WeakPolarHBondContact O-CD2 3.43Å; L50-F54 PolarHBondContact O-N 2.96Å; L50-L67 HydrophobicContact CB-CD2 3.87Å; L50-M70 HydrophobicContact CD1-CB 4.13Å; L50-M70 HydrophobicContact CD1-CE 4.41Å; L50-M70 HydrophobicContact CD2-CE 4.29Å; L50-M71 HydrophobicContact CD1-CG 4.28Å; L50-M71 HydrophobicContact CD1-SD 3.58Å; L50-M71 VanDerWaalsContact CD1-SD 3.58Å |
| 51 | R | 92.8 | Very high | 91.1 | Very high | 90 Ų | 90 | 76.1 Ų | 76.1 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 178.5 | 175.3 | -178.7 | -72 | -79.9 | -3.8 | 110.9 | K47 E48 D49 T53 F54 A55 N64 L67 | K47-R51 WeakPolarHBondContact O-CB 3.48Å; K47-R51 PolarHBondContact O-N 3.08Å; E48-R51 WeakPolarHBondContact O-CB 3.49Å; E48-R51 PolarHBondContact O-N 2.81Å; E48-R51 VanDerWaalsContact O-N 3.09Å; D49-R51 PolarHBondContact O-N 3Å; R51-T53 VanDerWaalsContact C-N 3.34Å; R51-F54 PolarHBondContact O-N 3.48Å; R51-A55 WeakPolarHBondContact O-CB 3.07Å; R51-A55 PolarHBondContact O-N 3.09Å; R51-N64 PolarHBondContact NH2-OD1 3Å; R51-L67 HydrophobicContact CB-CD1 3.92Å |
| 52 | D | 92.4 | Very high | 90.9 | Very high | 83 Ų | 83 | 67 Ų | 67 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.4 | -37.6 | -179.4 | -72.6 | -8.6 | 0 | 0 | 0 | 111.2 | Q39 E48 D49 L50 A55 A56 | Q39-D52 HydrophobicContact CG-CB 4.03Å; E48-D52 PolarHBondContact O-N 2.89Å; D49-D52 PolarHBondContact O-N 3.25Å; L50-D52 VanDerWaalsContact C-N 3.34Å; L50-D52 PolarHBondContact O-N 3.31Å; D52-A55 WeakPolarHBondContact O-CB 3.49Å; D52-A55 PolarHBondContact O-N 3.02Å; D52-A56 WeakPolarHBondContact O-CB 3.35Å; D52-A56 PolarHBondContact O-N 3.45Å |
| 53 | T | 92.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 9% | 0.086 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 174.3 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | I37 D49 L50 R51 A55 A56 M57 | I37-T53 WeakPolarHBondContact CA-OG1 3.38Å; I37-T53 HydrophobicContact CG1-CG2 4.19Å; I37-T53 PolarHBondContact O-OG1 3.29Å; D49-T53 VanDerWaalsContact O-CB 3.28Å; D49-T53 WeakPolarHBondContact O-CB 3.43Å; D49-T53 PolarHBondContact O-N 2.85Å; D49-T53 PolarHBondContact O-OG1 2.9Å; L50-T53 PolarHBondContact O-N 3Å; R51-T53 VanDerWaalsContact C-N 3.34Å; T53-A55 VanDerWaalsContact C-N 3.32Å; T53-A55 PolarHBondContact O-N 3.3Å; T53-A56 WeakPolarHBondContact O-CB 3.31Å; T53-A56 PolarHBondContact O-N 2.69Å; T53-M57 HydrophobicContact CG2-CE 3.95Å; T53-M57 WeakPolarHBondContact O-CG 3.5Å; T53-M57 PolarHBondContact O-N 3.21Å; T53-M57 VanDerWaalsContact O-N 3.12Å |
| 54 | F | 90.4 | Very high | 90.6 | Very high | 32 Ų | 32 | 71.6 Ų | 71.6 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 174.9 | -78.9 | -64.4 | 0 | 0 | 0 | 112.6 | L50 R51 A56 M57 G58 R59 V62 L67 M70 | L50-F54 WeakPolarHBondContact O-CD2 3.43Å; L50-F54 PolarHBondContact O-N 2.96Å; R51-F54 PolarHBondContact O-N 3.48Å; F54-A56 VanDerWaalsContact C-N 3.34Å; F54-M57 HydrophobicContact CD1-CE 3.68Å; F54-M57 HydrophobicContact CE1-CE 4.07Å; F54-M57 HydrophobicContact CG-CE 4.34Å; F54-M57 CarbonylContact O-C 3.6Å; F54-M57 PolarHBondContact O-N 3.38Å; F54-G58 PolarHBondContact O-N 3.03Å; F54-R59 CarbonylContact C-O 3.54Å; F54-R59 HydrophobicContact CB-CB 4.27Å; F54-R59 HydrophobicContact CD1-CB 4.46Å; F54-R59 CarbonylContact O-C 3.52Å; F54-R59 WeakPolarHBondContact O-CA 3.48Å; F54-R59 PolarHBondContact O-N 2.96Å; F54-V62 HydrophobicContact CB-CG2 3.58Å; F54-V62 HydrophobicContact CD1-CG2 4.19Å; F54-V62 HydrophobicContact CD2-CG1 4.28Å; F54-V62 HydrophobicContact CD2-CG2 3.97Å; F54-V62 HydrophobicContact CG-CG2 3.67Å; F54-L67 HydrophobicContact CD2-CD2 3.87Å; F54-L67 HydrophobicContact CE2-CD2 3.9Å; F54-M70 HydrophobicContact CE2-CE 3.94Å; F54-M70 HydrophobicContact CE2-SD 3.63Å; F54-M70 HydrophobicContact CZ-CE 3.84Å; F54-M70 HydrophobicContact CZ-SD 3.77Å |
| 55 | A | 89.9 | Confident | 90.5 | Very high | 35 Ų | 35 | 74.8 Ų | 74.8 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R51 D52 T53 M57 G58 L60 | R51-A55 WeakPolarHBondContact O-CB 3.07Å; R51-A55 PolarHBondContact O-N 3.09Å; D52-A55 WeakPolarHBondContact O-CB 3.49Å; D52-A55 PolarHBondContact O-N 3.02Å; T53-A55 VanDerWaalsContact C-N 3.32Å; T53-A55 PolarHBondContact O-N 3.3Å; A55-M57 PolarHBondContact O-N 3.23Å; A55-G58 PolarHBondContact O-N 3Å; A55-L60 HydrophobicContact CB-CD2 3.77Å |
| 56 | A | 88.3 | Confident | 90.3 | Very high | 84 Ų | 84 | 78 Ų | 78 | 69% | 0.694 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.4 | -30.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D52 T53 F54 G58 | D52-A56 WeakPolarHBondContact O-CB 3.35Å; D52-A56 PolarHBondContact O-N 3.45Å; T53-A56 WeakPolarHBondContact O-CB 3.31Å; T53-A56 PolarHBondContact O-N 2.69Å; F54-A56 VanDerWaalsContact C-N 3.34Å; A56-G58 VanDerWaalsContact C-N 3.3Å |
| 57 | M | 86.3 | Confident | 90.1 | Very high | 128 Ų | 128 | 75.7 Ų | 75.7 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.3 | 173.6 | -64.9 | -174.2 | -67 | 0 | 0 | 113.9 | T53 F54 A55 | T53-M57 HydrophobicContact CG2-CE 3.95Å; T53-M57 WeakPolarHBondContact O-CG 3.5Å; T53-M57 PolarHBondContact O-N 3.21Å; T53-M57 VanDerWaalsContact O-N 3.12Å; F54-M57 HydrophobicContact CD1-CE 3.68Å; F54-M57 HydrophobicContact CE1-CE 4.07Å; F54-M57 HydrophobicContact CG-CE 4.34Å; F54-M57 CarbonylContact O-C 3.6Å; F54-M57 PolarHBondContact O-N 3.38Å; A55-M57 PolarHBondContact O-N 3.23Å |
| 58 | G | 86.9 | Confident | 90 | Very high | 59 Ų | 59 | 75.9 Ų | 75.9 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -0.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F54 A55 A56 L60 | F54-G58 PolarHBondContact O-N 3.03Å; A55-G58 PolarHBondContact O-N 3Å; A56-G58 VanDerWaalsContact C-N 3.3Å; G58-L60 PolarHBondContact O-N 2.75Å |
| 59 | R | 88.6 | Confident | 89.9 | Confident | 131 Ų | 131 | 71.8 Ų | 71.8 | 49% | 0.494 | 39% | 0.388 | S | S | . | . | trans | -89.7 | 82.3 | 171.1 | -74.1 | -169.5 | 98.8 | -135.8 | 10.3 | 110.4 | F54 N61 V62 E66 | F54-R59 CarbonylContact C-O 3.54Å; F54-R59 HydrophobicContact CB-CB 4.27Å; F54-R59 HydrophobicContact CD1-CB 4.46Å; F54-R59 CarbonylContact O-C 3.52Å; F54-R59 WeakPolarHBondContact O-CA 3.48Å; F54-R59 PolarHBondContact O-N 2.96Å; R59-N61 VanDerWaalsContact C-N 3.34Å; R59-N61 PolarHBondContact O-N 3.17Å; R59-V62 HydrophobicContact CB-CG2 4Å; R59-E66 IonicContact CZ-OE1 3.85Å; R59-E66 IonicContact NH1-OE1 2.87Å; R59-E66 PolarHBondContact NH1-OE1 2.89Å; R59-E66 IonicContact NH2-OE1 3.9Å | ||
| 60 | L | 83.9 | Confident | 89.6 | Confident | 124 Ų | 124 | 75 Ų | 75 | 65% | 0.649 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -18.6 | -178.1 | -61.4 | 172.8 | 0 | 0 | 0 | 114.5 | A55 G58 | A55-L60 HydrophobicContact CB-CD2 3.77Å; G58-L60 PolarHBondContact O-N 2.75Å |
| 61 | N | 85.2 | Confident | 89.5 | Confident | 154 Ų | 154 | 76.5 Ų | 76.5 | 82% | 0.824 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 37 | -170.4 | -64.7 | -37.6 | 0 | 0 | 0 | 113.3 | R59 K63 | R59-N61 VanDerWaalsContact C-N 3.34Å; R59-N61 PolarHBondContact O-N 3.17Å; N61-K63 PolarHBondContact O-N 2.87Å |
| 62 | V | 87.8 | Confident | 89.4 | Confident | 9 Ų | 9 | 80.2 Ų | 80.2 | 6% | 0.055 | 43% | 0.429 | C | S | . | . | trans | -67.9 | 127.9 | 175 | -172 | 0 | 0 | 0 | 0 | 109.8 | F54 R59 E66 L67 | F54-V62 HydrophobicContact CB-CG2 3.58Å; F54-V62 HydrophobicContact CD1-CG2 4.19Å; F54-V62 HydrophobicContact CD2-CG1 4.28Å; F54-V62 HydrophobicContact CD2-CG2 3.97Å; F54-V62 HydrophobicContact CG-CG2 3.67Å; R59-V62 HydrophobicContact CB-CG2 4Å; V62-E66 HydrophobicContact CG1-CB 4.11Å; V62-E66 HydrophobicContact CG1-CG 4.13Å; V62-L67 HydrophobicContact CB-CD2 4.5Å; V62-L67 HydrophobicContact CG1-CD2 3.73Å; V62-L67 HydrophobicContact CG1-CG 3.83Å | ||
| 63 | K | 91.1 | Very high | 89 | Confident | 142 Ų | 142 | 82.1 Ų | 82.1 | 62% | 0.617 | 44% | 0.435 | S | S | * | . | trans | -72.1 | 147.9 | -177.4 | -69.2 | -178.4 | -176.8 | 172.7 | 0 | 110.6 | N61 E65 E66 L67 | N61-K63 PolarHBondContact O-N 2.87Å; K63-E65 WeakPolarHBondContact CB-OE2 3.32Å; K63-E65 PolarHBondContact O-N 3Å; K63-E66 HydrophobicContact CB-CB 4.42Å; K63-E66 WeakPolarHBondContact O-CB 3.39Å; K63-E66 PolarHBondContact O-N 3.29Å; K63-E66 VanDerWaalsContact O-N 3.15Å; K63-L67 PolarHBondContact O-N 3.12Å | ||
| 64 | N | 90.5 | Very high | 88.7 | Confident | 77 Ų | 77 | 82.2 Ų | 82.2 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.2 | -35 | 178.2 | -95 | -26.9 | 0 | 0 | 0 | 112.1 | K47 R51 E66 L67 D68 | K47-N64 WeakPolarHBondContact CE-O 3.32Å; K47-N64 WeakPolarHBondContact CE-OD1 3.45Å; K47-N64 PolarHBondContact NZ-O 3.39Å; K47-N64 PolarHBondContact NZ-OD1 2.98Å; R51-N64 PolarHBondContact NH2-OD1 3Å; N64-E66 VanDerWaalsContact C-N 3.32Å; N64-E66 PolarHBondContact O-N 2.95Å; N64-L67 PolarHBondContact O-N 3.18Å; N64-D68 WeakPolarHBondContact O-CB 3.48Å; N64-D68 PolarHBondContact O-N 3.34Å |
| 65 | E | 92.8 | Very high | 88.1 | Confident | 136 Ų | 136 | 86.8 Ų | 86.8 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.7 | -33.6 | 179.5 | -60.7 | 76.7 | -167.4 | 0 | 0 | 112.4 | K63 A69 | K63-E65 WeakPolarHBondContact CB-OE2 3.32Å; K63-E65 PolarHBondContact O-N 3Å; E65-A69 WeakPolarHBondContact O-CB 3.49Å; E65-A69 PolarHBondContact O-N 3.4Å |
| 66 | E | 89.6 | Confident | 87.8 | Confident | 73 Ų | 73 | 86.7 Ų | 86.7 | 34% | 0.341 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.4 | -46.7 | 176.9 | -172.1 | 176.3 | 160.4 | 0 | 0 | 110 | R59 V62 K63 N64 D68 A69 M70 | R59-E66 IonicContact CZ-OE1 3.85Å; R59-E66 IonicContact NH1-OE1 2.87Å; R59-E66 PolarHBondContact NH1-OE1 2.89Å; R59-E66 IonicContact NH2-OE1 3.9Å; V62-E66 HydrophobicContact CG1-CB 4.11Å; V62-E66 HydrophobicContact CG1-CG 4.13Å; K63-E66 HydrophobicContact CB-CB 4.42Å; K63-E66 WeakPolarHBondContact O-CB 3.39Å; K63-E66 PolarHBondContact O-N 3.29Å; K63-E66 VanDerWaalsContact O-N 3.15Å; N64-E66 VanDerWaalsContact C-N 3.32Å; N64-E66 PolarHBondContact O-N 2.95Å; E66-D68 VanDerWaalsContact C-N 3.34Å; E66-D68 PolarHBondContact O-N 3.19Å; E66-A69 WeakPolarHBondContact O-CB 3.46Å; E66-A69 PolarHBondContact O-N 2.75Å; E66-M70 WeakPolarHBondContact O-CG 3.36Å; E66-M70 PolarHBondContact O-N 3.16Å |
| 67 | L | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 174 | -61.1 | 175.5 | 0 | 0 | 0 | 111.8 | K47 L50 R51 F54 V62 K63 N64 A69 M70 M71 | K47-L67 HydrophobicContact CD-CB 4.39Å; K47-L67 HydrophobicContact CG-CB 3.9Å; K47-L67 HydrophobicContact CG-CD1 4.18Å; L50-L67 HydrophobicContact CB-CD2 3.87Å; R51-L67 HydrophobicContact CB-CD1 3.92Å; F54-L67 HydrophobicContact CD2-CD2 3.87Å; F54-L67 HydrophobicContact CE2-CD2 3.9Å; V62-L67 HydrophobicContact CB-CD2 4.5Å; V62-L67 HydrophobicContact CG1-CD2 3.73Å; V62-L67 HydrophobicContact CG1-CG 3.83Å; K63-L67 PolarHBondContact O-N 3.12Å; N64-L67 PolarHBondContact O-N 3.18Å; L67-A69 VanDerWaalsContact C-N 3.29Å; L67-A69 PolarHBondContact O-N 3.09Å; L67-M70 PolarHBondContact O-N 3.27Å; L67-M71 WeakPolarHBondContact O-CG 3.5Å; L67-M71 PolarHBondContact O-N 3.41Å |
| 68 | D | 90.6 | Very high | 88.2 | Confident | 60 Ų | 60 | 81.3 Ų | 81.3 | 32% | 0.321 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.9 | -34.2 | 176.2 | -73 | -37.6 | 0 | 0 | 0 | 112.2 | K47 N64 E66 K72 | K47-D68 VanDerWaalsContact CE-OD1 3.31Å; K47-D68 WeakPolarHBondContact CE-OD1 2.99Å; K47-D68 IonicContact NZ-OD1 3.16Å; K47-D68 PolarHBondContact NZ-OD1 2.78Å; K47-D68 IonicContact NZ-OD2 2.61Å; K47-D68 PolarHBondContact NZ-OD2 2.87Å; N64-D68 WeakPolarHBondContact O-CB 3.48Å; N64-D68 PolarHBondContact O-N 3.34Å; E66-D68 VanDerWaalsContact C-N 3.34Å; E66-D68 PolarHBondContact O-N 3.19Å; D68-K72 WeakPolarHBondContact O-CB 3.44Å; D68-K72 WeakPolarHBondContact O-CD 3.21Å; D68-K72 WeakPolarHBondContact O-CG 3.39Å; D68-K72 PolarHBondContact O-N 3.49Å; D68-K72 VanDerWaalsContact O-N 3.12Å |
| 69 | A | 90.3 | Very high | 88.4 | Confident | 54 Ų | 54 | 81.6 Ų | 81.6 | 45% | 0.446 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | E65 E66 L67 K72 E73 | E65-A69 WeakPolarHBondContact O-CB 3.49Å; E65-A69 PolarHBondContact O-N 3.4Å; E66-A69 WeakPolarHBondContact O-CB 3.46Å; E66-A69 PolarHBondContact O-N 2.75Å; L67-A69 VanDerWaalsContact C-N 3.29Å; L67-A69 PolarHBondContact O-N 3.09Å; A69-K72 PolarHBondContact O-N 3.25Å; A69-E73 PolarHBondContact O-N 3.48Å |
| 70 | M | 88.8 | Confident | 88.6 | Confident | 70 Ų | 70 | 77.4 Ų | 77.4 | 35% | 0.345 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.5 | -65.3 | 176.7 | 73.9 | 0 | 0 | 111.9 | L50 F54 E66 L67 K72 E73 | L50-M70 HydrophobicContact CD1-CB 4.13Å; L50-M70 HydrophobicContact CD1-CE 4.41Å; L50-M70 HydrophobicContact CD2-CE 4.29Å; F54-M70 HydrophobicContact CE2-CE 3.94Å; F54-M70 HydrophobicContact CE2-SD 3.63Å; F54-M70 HydrophobicContact CZ-CE 3.84Å; F54-M70 HydrophobicContact CZ-SD 3.77Å; E66-M70 WeakPolarHBondContact O-CG 3.36Å; E66-M70 PolarHBondContact O-N 3.16Å; L67-M70 PolarHBondContact O-N 3.27Å; M70-K72 PolarHBondContact O-N 3.26Å; M70-E73 WeakPolarHBondContact O-CB 3.5Å; M70-E73 PolarHBondContact O-N 3.15Å; M70-E73 VanDerWaalsContact O-N 3.12Å |
| 71 | M | 90.4 | Very high | 88.9 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.9 | -28 | 177.9 | -67.1 | -53.2 | -63.7 | 0 | 0 | 112.9 | K47 L50 L67 E73 A74 I78 | K47-M71 HydrophobicContact CB-CG 4.45Å; L50-M71 HydrophobicContact CD1-CG 4.28Å; L50-M71 HydrophobicContact CD1-SD 3.58Å; L50-M71 VanDerWaalsContact CD1-SD 3.58Å; L67-M71 WeakPolarHBondContact O-CG 3.5Å; L67-M71 PolarHBondContact O-N 3.41Å; M71-E73 VanDerWaalsContact C-N 3.33Å; M71-A74 WeakPolarHBondContact O-CB 3.48Å; M71-A74 PolarHBondContact O-N 2.96Å; M71-I78 HydrophobicContact CE-CD1 3.86Å; M71-I78 HydrophobicContact CE-CG1 4.22Å; M71-I78 HydrophobicContact SD-CD1 3.95Å |
| 72 | K | 89.6 | Confident | 89.1 | Confident | 168 Ų | 168 | 69.1 Ų | 69.1 | 73% | 0.73 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -77.1 | -14.9 | 177.5 | -77.5 | 169.2 | -174.2 | 170.8 | 0 | 114.2 | D68 A69 M70 A74 | D68-K72 WeakPolarHBondContact O-CB 3.44Å; D68-K72 WeakPolarHBondContact O-CD 3.21Å; D68-K72 WeakPolarHBondContact O-CG 3.39Å; D68-K72 PolarHBondContact O-N 3.49Å; D68-K72 VanDerWaalsContact O-N 3.12Å; A69-K72 PolarHBondContact O-N 3.25Å; M70-K72 PolarHBondContact O-N 3.26Å; K72-A74 PolarHBondContact O-N 3.16Å |
| 73 | E | 85.2 | Confident | 89.1 | Confident | 123 Ų | 123 | 69.4 Ų | 69.4 | 58% | 0.575 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.9 | 169.6 | -62.3 | -159.9 | 179.2 | 0 | 0 | 111.1 | A69 M70 M71 K90 | A69-E73 PolarHBondContact O-N 3.48Å; M70-E73 WeakPolarHBondContact O-CB 3.5Å; M70-E73 PolarHBondContact O-N 3.15Å; M70-E73 VanDerWaalsContact O-N 3.12Å; M71-E73 VanDerWaalsContact C-N 3.33Å; E73-K90 IonicContact OE1-NZ 2.84Å; E73-K90 WeakPolarHBondContact OE2-CE 3.36Å; E73-K90 IonicContact OE2-NZ 3.82Å; E73-K90 PolarHBondContact OE2-NZ 3.31Å |
| 74 | A | 85.3 | Confident | 89 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -83.6 | 136.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | M71 K72 G76 I78 M86 | M71-A74 WeakPolarHBondContact O-CB 3.48Å; M71-A74 PolarHBondContact O-N 2.96Å; K72-A74 PolarHBondContact O-N 3.16Å; A74-G76 WeakPolarHBondContact CB-O 3.48Å; A74-G76 PolarHBondContact O-N 3.04Å; A74-I78 HydrophobicContact CB-CD1 3.87Å; A74-I78 HydrophobicContact CB-CG1 3.61Å; A74-M86 HydrophobicContact CB-CE 3.08Å |
| 75 | S | 77 | Confident | 88.7 | Confident | 127 Ų | 127 | 61.1 Ų | 61.1 | 89% | 0.888 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -77 | -3.2 | 169.3 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 76 | G | 84.5 | Confident | 88.4 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 179.8 | -164.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A74 I78 | A74-G76 WeakPolarHBondContact CB-O 3.48Å; A74-G76 PolarHBondContact O-N 3.04Å; G76-I78 PolarHBondContact O-N 3.26Å |
| 77 | P | 88.6 | Confident | 88 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | trans | -56.3 | 131.2 | 177.7 | -24.5 | 34.2 | 0 | 0 | 0 | 112.3 | I44 N79 | I44-P77 HydrophobicContact CG2-CB 3.88Å; P77-N79 VanDerWaalsContact C-N 3.3Å; P77-N79 PolarHBondContact O-N 3.18Å | ||
| 78 | I | 93.4 | Very high | 87.4 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 74.5 | -173.9 | -47.1 | -177.6 | 0 | 0 | 0 | 109.7 | I45 M71 A74 G76 F83 M86 | I45-I78 HydrophobicContact CB-CB 4.1Å; I45-I78 HydrophobicContact CB-CG2 4.25Å; I45-I78 HydrophobicContact CD1-CG2 4.35Å; I45-I78 PolarHBondContact N-O 2.91Å; M71-I78 HydrophobicContact CE-CD1 3.86Å; M71-I78 HydrophobicContact CE-CG1 4.22Å; M71-I78 HydrophobicContact SD-CD1 3.95Å; A74-I78 HydrophobicContact CB-CD1 3.87Å; A74-I78 HydrophobicContact CB-CG1 3.61Å; G76-I78 PolarHBondContact O-N 3.26Å; I78-F83 HydrophobicContact CG2-CB 4.19Å; I78-F83 HydrophobicContact CG2-CD2 4.35Å; I78-M86 HydrophobicContact CD1-CE 4.16Å; I78-M86 HydrophobicContact CG1-CE 4.11Å; I78-M86 HydrophobicContact CG2-CE 4.37Å; I78-M86 HydrophobicContact CG2-SD 4.28Å |
| 79 | N | 92.9 | Very high | 86.7 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 34% | 0.342 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 169.3 | 166.1 | 65.3 | 50 | 0 | 0 | 0 | 111 | G43 P77 T81 V82 F83 | G43-N79 WeakPolarHBondContact O-CA 3.11Å; P77-N79 VanDerWaalsContact C-N 3.3Å; P77-N79 PolarHBondContact O-N 3.18Å; N79-T81 PolarHBondContact O-N 3.45Å; N79-T81 VanDerWaalsContact O-N 3.12Å; N79-T81 WeakPolarHBondContact OD1-CB 3.42Å; N79-T81 PolarHBondContact OD1-N 3.26Å; N79-T81 VanDerWaalsContact OD1-N 3.09Å; N79-V82 PolarHBondContact O-N 2.88Å; N79-V82 PolarHBondContact OD1-N 3.43Å; N79-F83 PolarHBondContact O-N 2.68Å |
| 80 | F | 91.6 | Very high | 85.7 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 19% | 0.193 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.8 | -36 | -176.7 | -173.9 | -119.4 | 0 | 0 | 0 | 114.3 | F19 F30 K31 F34 F83 L84 | F19-F80 HydrophobicContact CE1-CE1 4.05Å; F19-F80 HydrophobicContact CZ-CD1 4.4Å; F19-F80 HydrophobicContact CZ-CE1 4.36Å; F30-F80 HydrophobicContact CB-CE2 4.25Å; F30-F80 HydrophobicContact CB-CZ 4.47Å; K31-F80 VanDerWaalsContact CA-CE2 3.48Å; K31-F80 HydrophobicContact CB-CE2 3.98Å; K31-F80 HydrophobicContact CB-CZ 3.72Å; K31-F80 HydrophobicContact CG-CE2 4.45Å; K31-F80 HydrophobicContact CG-CZ 4.23Å; F34-F80 HydrophobicContact CB-CD2 3.76Å; F34-F80 HydrophobicContact CB-CE2 4.06Å; F34-F80 HydrophobicContact CD1-CD2 4.29Å; F34-F80 HydrophobicContact CD2-CB 4.36Å; F34-F80 AromaticContact CD2-CD2 3.86Å; F34-F80 HydrophobicContact CD2-CD2 3.86Å; F34-F80 HydrophobicContact CE1-CB 4.47Å; F34-F80 HydrophobicContact CE2-CB 4.27Å; F34-F80 HydrophobicContact CG-CB 4.49Å; F34-F80 AromaticContact CG-CD2 3.69Å; F34-F80 HydrophobicContact CG-CD2 3.69Å; F34-F80 HydrophobicContact CG-CE2 4.48Å; F34-F80 HydrophobicContact CZ-CB 4.34Å; F80-F83 HydrophobicContact CD2-CD1 4.46Å; F80-F83 WeakPolarHBondContact O-CB 3.42Å; F80-F83 PolarHBondContact O-N 2.95Å; F80-L84 HydrophobicContact CD1-CD1 4.18Å; F80-L84 HydrophobicContact CE1-CD1 3.63Å; F80-L84 HydrophobicContact CE1-CG 4.24Å; F80-L84 HydrophobicContact CE2-CD1 4.41Å; F80-L84 HydrophobicContact CE2-CD2 4.42Å; F80-L84 HydrophobicContact CE2-CG 4.16Å; F80-L84 HydrophobicContact CZ-CD1 3.75Å; F80-L84 HydrophobicContact CZ-CD2 4.22Å; F80-L84 HydrophobicContact CZ-CG 3.97Å; F80-L84 WeakPolarHBondContact O-CG 3.43Å; F80-L84 PolarHBondContact O-N 3.43Å |
| 81 | T | 90.1 | Very high | 84.6 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 177.8 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | V18 F19 N79 T85 | V18-T81 HydrophobicContact CG1-CG2 4.24Å; F19-T81 HydrophobicContact CE2-CG2 4.34Å; N79-T81 PolarHBondContact O-N 3.45Å; N79-T81 VanDerWaalsContact O-N 3.12Å; N79-T81 WeakPolarHBondContact OD1-CB 3.42Å; N79-T81 PolarHBondContact OD1-N 3.26Å; N79-T81 VanDerWaalsContact OD1-N 3.09Å; T81-T85 WeakPolarHBondContact O-CB 3.35Å; T81-T85 PolarHBondContact O-N 3.44Å; T81-T85 PolarHBondContact O-OG1 3.24Å |
| 82 | V | 89.3 | Confident | 83.2 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 21% | 0.212 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | N79 T85 M86 | N79-V82 PolarHBondContact O-N 2.88Å; N79-V82 PolarHBondContact OD1-N 3.43Å; V82-T85 WeakPolarHBondContact O-CA 3.24Å; V82-T85 WeakPolarHBondContact O-CB 3.23Å; V82-T85 PolarHBondContact O-N 3.12Å; V82-M86 HydrophobicContact CG1-CE 3.69Å; V82-M86 HydrophobicContact CG1-SD 4.35Å; V82-M86 WeakPolarHBondContact O-CG 3.43Å; V82-M86 PolarHBondContact O-N 2.84Å |
| 83 | F | 89.3 | Confident | 81.9 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 7% | 0.066 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.6 | -53.7 | 173.8 | -176.2 | -97.7 | 0 | 0 | 0 | 111.1 | F30 F34 I37 I45 I78 N79 F80 T85 M86 F87 | F30-F83 HydrophobicContact CB-CE1 4.29Å; F30-F83 HydrophobicContact CD1-CE1 4.14Å; F34-F83 HydrophobicContact CB-CD1 4.49Å; F34-F83 HydrophobicContact CB-CE1 4.4Å; F34-F83 HydrophobicContact CD2-CB 3.89Å; F34-F83 HydrophobicContact CD2-CD1 4.06Å; F34-F83 HydrophobicContact CD2-CD2 4.07Å; F34-F83 AromaticContact CD2-CG 3.77Å; F34-F83 HydrophobicContact CD2-CG 3.77Å; F34-F83 HydrophobicContact CE2-CB 4.09Å; F34-F83 HydrophobicContact CE2-CG 4.38Å; I37-F83 HydrophobicContact CD1-CE2 3.92Å; I37-F83 HydrophobicContact CD1-CZ 4.11Å; I45-F83 HydrophobicContact CD1-CD2 3.82Å; I45-F83 HydrophobicContact CD1-CE2 4Å; I78-F83 HydrophobicContact CG2-CB 4.19Å; I78-F83 HydrophobicContact CG2-CD2 4.35Å; N79-F83 PolarHBondContact O-N 2.68Å; F80-F83 HydrophobicContact CD2-CD1 4.46Å; F80-F83 WeakPolarHBondContact O-CB 3.42Å; F80-F83 PolarHBondContact O-N 2.95Å; F83-T85 PolarHBondContact O-N 3.06Å; F83-M86 WeakPolarHBondContact O-CB 3.45Å; F83-M86 PolarHBondContact O-N 2.83Å; F83-F87 HydrophobicContact CD1-CD2 4.04Å; F83-F87 HydrophobicContact CD1-CE2 4.15Å; F83-F87 HydrophobicContact CD2-CD2 4.4Å; F83-F87 AromaticContact CD2-CE2 3.96Å; F83-F87 HydrophobicContact CD2-CE2 3.96Å; F83-F87 AromaticContact CE1-CD2 3.87Å; F83-F87 HydrophobicContact CE1-CD2 3.87Å; F83-F87 AromaticContact CE1-CE2 3.66Å; F83-F87 HydrophobicContact CE1-CE2 3.66Å; F83-F87 HydrophobicContact CE2-CD2 4.27Å; F83-F87 AromaticContact CE2-CE2 3.46Å; F83-F87 HydrophobicContact CE2-CE2 3.46Å; F83-F87 VanDerWaalsContact CE2-CE2 3.46Å; F83-F87 HydrophobicContact CE2-CZ 4.34Å; F83-F87 HydrophobicContact CG-CD2 4.31Å; F83-F87 HydrophobicContact CG-CE2 4.29Å; F83-F87 AromaticContact CZ-CD2 3.99Å; F83-F87 HydrophobicContact CZ-CD2 3.99Å; F83-F87 AromaticContact CZ-CE2 3.29Å; F83-F87 HydrophobicContact CZ-CE2 3.29Å; F83-F87 HydrophobicContact CZ-CZ 4.04Å; F83-F87 WeakPolarHBondContact O-CD2 3.34Å; F83-F87 PolarHBondContact O-N 3.12Å; F83-F87 VanDerWaalsContact O-N 3.12Å |
| 84 | L | 87.9 | Confident | 81 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.2 | -33.3 | 174.7 | -75.4 | 178.9 | 0 | 0 | 0 | 113 | V18 F19 F22 F30 F80 G88 | V18-L84 HydrophobicContact CG2-CB 4.09Å; V18-L84 WeakPolarHBondContact CG2-O 3.41Å; F19-L84 HydrophobicContact CD1-CD1 3.71Å; F19-L84 HydrophobicContact CE1-CD1 3.2Å; F19-L84 HydrophobicContact CE2-CD1 4.43Å; F19-L84 HydrophobicContact CZ-CD1 3.61Å; F22-L84 HydrophobicContact CD2-CD2 4.31Å; F22-L84 HydrophobicContact CE2-CD2 4.29Å; F22-L84 WeakPolarHBondContact CE2-O 3.49Å; F30-L84 HydrophobicContact CB-CD2 3.57Å; F30-L84 HydrophobicContact CD2-CD2 3.47Å; F30-L84 VanDerWaalsContact CD2-CD2 3.47Å; F30-L84 HydrophobicContact CE2-CD2 4.34Å; F30-L84 HydrophobicContact CG-CD2 3.65Å; F80-L84 HydrophobicContact CD1-CD1 4.18Å; F80-L84 HydrophobicContact CE1-CD1 3.63Å; F80-L84 HydrophobicContact CE1-CG 4.24Å; F80-L84 HydrophobicContact CE2-CD1 4.41Å; F80-L84 HydrophobicContact CE2-CD2 4.42Å; F80-L84 HydrophobicContact CE2-CG 4.16Å; F80-L84 HydrophobicContact CZ-CD1 3.75Å; F80-L84 HydrophobicContact CZ-CD2 4.22Å; F80-L84 HydrophobicContact CZ-CG 3.97Å; F80-L84 WeakPolarHBondContact O-CG 3.43Å; F80-L84 PolarHBondContact O-N 3.43Å; L84-G88 WeakPolarHBondContact O-CA 3.19Å; L84-G88 PolarHBondContact O-N 3.32Å |
| 85 | T | 85.3 | Confident | 80.8 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 178.6 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | T81 V82 F83 G88 E89 | T81-T85 WeakPolarHBondContact O-CB 3.35Å; T81-T85 PolarHBondContact O-N 3.44Å; T81-T85 PolarHBondContact O-OG1 3.24Å; V82-T85 WeakPolarHBondContact O-CA 3.24Å; V82-T85 WeakPolarHBondContact O-CB 3.23Å; V82-T85 PolarHBondContact O-N 3.12Å; F83-T85 PolarHBondContact O-N 3.06Å; T85-G88 CarbonylContact O-C 3.59Å; T85-G88 PolarHBondContact O-N 3.23Å; T85-E89 HydrophobicContact CG2-CG 4.28Å; T85-E89 WeakPolarHBondContact O-CB 3.45Å; T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3.31Å |
| 86 | M | 84.9 | Confident | 81 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 17% | 0.167 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 175 | -67.4 | 164 | 169.5 | 0 | 0 | 111.8 | A74 I78 V82 F83 G88 K90 | A74-M86 HydrophobicContact CB-CE 3.08Å; I78-M86 HydrophobicContact CD1-CE 4.16Å; I78-M86 HydrophobicContact CG1-CE 4.11Å; I78-M86 HydrophobicContact CG2-CE 4.37Å; I78-M86 HydrophobicContact CG2-SD 4.28Å; V82-M86 HydrophobicContact CG1-CE 3.69Å; V82-M86 HydrophobicContact CG1-SD 4.35Å; V82-M86 WeakPolarHBondContact O-CG 3.43Å; V82-M86 PolarHBondContact O-N 2.84Å; F83-M86 WeakPolarHBondContact O-CB 3.45Å; F83-M86 PolarHBondContact O-N 2.83Å; M86-G88 VanDerWaalsContact C-N 3.33Å; M86-K90 WeakPolarHBondContact O-CG 3.18Å; M86-K90 PolarHBondContact O-N 3.22Å |
| 87 | F | 81.3 | Confident | 81 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 35% | 0.351 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 174.5 | -79.8 | -82.1 | 0 | 0 | 0 | 111.1 | F22 F30 F83 E89 K90 L91 | F22-F87 HydrophobicContact CZ-CB 4.25Å; F30-F87 HydrophobicContact CD1-CD2 4.44Å; F30-F87 HydrophobicContact CD1-CG 4.31Å; F30-F87 HydrophobicContact CE1-CB 4.03Å; F30-F87 AromaticContact CE1-CD1 3.72Å; F30-F87 HydrophobicContact CE1-CD1 3.72Å; F30-F87 HydrophobicContact CE1-CD2 4.27Å; F30-F87 HydrophobicContact CE1-CE1 4.27Å; F30-F87 AromaticContact CE1-CG 3.72Å; F30-F87 HydrophobicContact CE1-CG 3.72Å; F30-F87 HydrophobicContact CZ-CB 4.1Å; F30-F87 HydrophobicContact CZ-CD1 4.32Å; F30-F87 HydrophobicContact CZ-CG 4.28Å; F83-F87 HydrophobicContact CD1-CD2 4.04Å; F83-F87 HydrophobicContact CD1-CE2 4.15Å; F83-F87 HydrophobicContact CD2-CD2 4.4Å; F83-F87 AromaticContact CD2-CE2 3.96Å; F83-F87 HydrophobicContact CD2-CE2 3.96Å; F83-F87 AromaticContact CE1-CD2 3.87Å; F83-F87 HydrophobicContact CE1-CD2 3.87Å; F83-F87 AromaticContact CE1-CE2 3.66Å; F83-F87 HydrophobicContact CE1-CE2 3.66Å; F83-F87 HydrophobicContact CE2-CD2 4.27Å; F83-F87 AromaticContact CE2-CE2 3.46Å; F83-F87 HydrophobicContact CE2-CE2 3.46Å; F83-F87 VanDerWaalsContact CE2-CE2 3.46Å; F83-F87 HydrophobicContact CE2-CZ 4.34Å; F83-F87 HydrophobicContact CG-CD2 4.31Å; F83-F87 HydrophobicContact CG-CE2 4.29Å; F83-F87 AromaticContact CZ-CD2 3.99Å; F83-F87 HydrophobicContact CZ-CD2 3.99Å; F83-F87 AromaticContact CZ-CE2 3.29Å; F83-F87 HydrophobicContact CZ-CE2 3.29Å; F83-F87 HydrophobicContact CZ-CZ 4.04Å; F83-F87 WeakPolarHBondContact O-CD2 3.34Å; F83-F87 PolarHBondContact O-N 3.12Å; F83-F87 VanDerWaalsContact O-N 3.12Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-E89 PolarHBondContact O-N 3.12Å; F87-K90 PolarHBondContact O-N 2.79Å; F87-L91 VanDerWaalsContact O-CB 3.23Å; F87-L91 WeakPolarHBondContact O-CB 3.3Å; F87-L91 VanDerWaalsContact O-CG 3.24Å; F87-L91 WeakPolarHBondContact O-CG 3.11Å; F87-L91 PolarHBondContact O-N 2.84Å |
| 88 | G | 78.8 | Confident | 81 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L84 T85 M86 L91 K92 | L84-G88 WeakPolarHBondContact O-CA 3.19Å; L84-G88 PolarHBondContact O-N 3.32Å; T85-G88 CarbonylContact O-C 3.59Å; T85-G88 PolarHBondContact O-N 3.23Å; M86-G88 VanDerWaalsContact C-N 3.33Å; G88-L91 CarbonylContact O-C 3.36Å; G88-K92 WeakPolarHBondContact O-CA 3.33Å; G88-K92 WeakPolarHBondContact O-CB 3.38Å; G88-K92 PolarHBondContact O-N 3.37Å |
| 89 | E | 75.9 | Confident | 80.8 | Confident | 133 Ų | 133 | 69.2 Ų | 69.2 | 62% | 0.621 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -71.6 | -38.5 | 176.6 | -74 | -177.3 | 160.5 | 0 | 0 | 112.6 | T85 F87 K92 | T85-E89 HydrophobicContact CG2-CG 4.28Å; T85-E89 WeakPolarHBondContact O-CB 3.45Å; T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3.31Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-E89 PolarHBondContact O-N 3.12Å; E89-K92 WeakPolarHBondContact O-CB 3.31Å; E89-K92 PolarHBondContact O-N 3.44Å |
| 90 | K | 70 | Confident | 80.6 | Confident | 144 Ų | 144 | 67.4 Ų | 67.4 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.4 | -32.5 | 174.6 | -70.8 | -172 | -164.7 | -122.8 | 0 | 112.7 | E73 M86 F87 | E73-K90 IonicContact OE1-NZ 2.84Å; E73-K90 WeakPolarHBondContact OE2-CE 3.36Å; E73-K90 IonicContact OE2-NZ 3.82Å; E73-K90 PolarHBondContact OE2-NZ 3.31Å; M86-K90 WeakPolarHBondContact O-CG 3.18Å; M86-K90 PolarHBondContact O-N 3.22Å; F87-K90 PolarHBondContact O-N 2.79Å |
| 91 | L | 64.8 | Low | 80.6 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 40% | 0.398 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -89.6 | -5.8 | 176.3 | -64.3 | 169.8 | 0 | 0 | 0 | 112.6 | F22 F30 F87 G88 G93 A94 | F22-L91 HydrophobicContact CE1-CD1 3.74Å; F22-L91 HydrophobicContact CZ-CD1 4.26Å; F30-L91 HydrophobicContact CZ-CD1 4.18Å; F87-L91 VanDerWaalsContact O-CB 3.23Å; F87-L91 WeakPolarHBondContact O-CB 3.3Å; F87-L91 VanDerWaalsContact O-CG 3.24Å; F87-L91 WeakPolarHBondContact O-CG 3.11Å; F87-L91 PolarHBondContact O-N 2.84Å; G88-L91 CarbonylContact O-C 3.36Å; L91-G93 PolarHBondContact O-N 3.28Å; L91-G93 VanDerWaalsContact O-N 3.09Å; L91-A94 PolarHBondContact O-N 3.33Å |
| 92 | K | 62.1 | Low | 80.7 | Confident | 151 Ų | 151 | 64.5 Ų | 64.5 | 66% | 0.657 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 112.8 | -177.5 | -158 | 170.9 | 177.5 | -179.1 | 0 | 109.9 | G88 E89 | G88-K92 WeakPolarHBondContact O-CA 3.33Å; G88-K92 WeakPolarHBondContact O-CB 3.38Å; G88-K92 PolarHBondContact O-N 3.37Å; E89-K92 WeakPolarHBondContact O-CB 3.31Å; E89-K92 PolarHBondContact O-N 3.44Å |
| 93 | G | 61.7 | Low | 80.8 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 86% | 0.856 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.1 | -2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L91 | L91-G93 PolarHBondContact O-N 3.28Å; L91-G93 VanDerWaalsContact O-N 3.09Å |
| 94 | A | 66.6 | Low | 80.9 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 41% | 0.405 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 123.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L91 | L91-A94 PolarHBondContact O-N 3.33Š|
| 95 | D | 80.6 | Confident | 81.2 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 156.7 | 168 | -72.8 | -50.7 | 0 | 0 | 0 | 110.2 | V99 I100 | D95-V99 HydrophobicContact CB-CB 4.08Å; D95-V99 HydrophobicContact CB-CG1 3.87Å; D95-I100 HydrophobicContact CB-CD1 4.38Å; D95-I100 HydrophobicContact CB-CG1 3.8Å; D95-I100 WeakPolarHBondContact O-CD1 3.47Å |
| 96 | P | 81.3 | Confident | 81.5 | Confident | 75 Ų | 75 | 75.8 Ų | 75.8 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 148.3 | 171.9 | -28.4 | 36.9 | 0 | 0 | 0 | 112.7 | D98 V99 I100 | P96-D98 WeakPolarHBondContact CB-OD1 3.33Å; P96-D98 PolarHBondContact O-N 2.95Å; P96-D98 VanDerWaalsContact O-N 3.16Å; P96-V99 HydrophobicContact CB-CB 4.5Å; P96-V99 HydrophobicContact CB-CG2 4.11Å; P96-V99 HydrophobicContact CG-CG2 4.24Å; P96-V99 WeakPolarHBondContact O-CA 3.48Å; P96-V99 WeakPolarHBondContact O-CB 3.48Å; P96-V99 PolarHBondContact O-N 3.23Å; P96-I100 PolarHBondContact O-N 2.91Å |
| 97 | E | 85.6 | Confident | 81.8 | Confident | 66 Ų | 66 | 77 Ų | 77 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -56.6 | -37.2 | -175.3 | -166.3 | -168.7 | 158.3 | 0 | 0 | 112.4 | V99 I100 T101 C157 T161 H162 | E97-V99 VanDerWaalsContact C-N 3.33Å; E97-V99 PolarHBondContact O-N 3.43Å; E97-I100 PolarHBondContact O-N 3.11Å; E97-T101 WeakPolarHBondContact O-CB 3.35Å; E97-T101 PolarHBondContact O-N 3.22Å; E97-T101 PolarHBondContact O-OG1 3.45Å; E97-C157 HydrophobicContact CG-CB 4.01Å; E97-T161 HydrophobicContact CB-CG2 3.82Å; E97-T161 HydrophobicContact CG-CG2 4.22Å; E97-H162 IonicContact OE2-CE1 3.79Å; E97-H162 PolarHBondContact OE2-CE1 3.44Å; E97-H162 IonicContact OE2-ND1 2.93Å |
| 98 | D | 87.1 | Confident | 82.3 | Confident | 120 Ų | 120 | 73.7 Ų | 73.7 | 64% | 0.642 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67 | -33.8 | 178.4 | 67.5 | -47.8 | 0 | 0 | 0 | 112.4 | P96 G102 | P96-D98 WeakPolarHBondContact CB-OD1 3.33Å; P96-D98 PolarHBondContact O-N 2.95Å; P96-D98 VanDerWaalsContact O-N 3.16Å; D98-G102 WeakPolarHBondContact O-CA 3.11Å; D98-G102 PolarHBondContact O-N 3.09Å |
| 99 | V | 89.2 | Confident | 82.9 | Confident | 70 Ų | 70 | 79.2 Ų | 79.2 | 42% | 0.424 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.8 | -49.2 | 174 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | D95 P96 E97 T101 G102 A103 | D95-V99 HydrophobicContact CB-CB 4.08Å; D95-V99 HydrophobicContact CB-CG1 3.87Å; P96-V99 HydrophobicContact CB-CB 4.5Å; P96-V99 HydrophobicContact CB-CG2 4.11Å; P96-V99 HydrophobicContact CG-CG2 4.24Å; P96-V99 WeakPolarHBondContact O-CA 3.48Å; P96-V99 WeakPolarHBondContact O-CB 3.48Å; P96-V99 PolarHBondContact O-N 3.23Å; E97-V99 VanDerWaalsContact C-N 3.33Å; E97-V99 PolarHBondContact O-N 3.43Å; V99-T101 PolarHBondContact O-N 3.35Å; V99-G102 WeakPolarHBondContact O-CA 3.44Å; V99-G102 PolarHBondContact O-N 2.72Å; V99-A103 PolarHBondContact O-N 3.23Å |
| 100 | I | 89.3 | Confident | 83.6 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 13% | 0.128 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 177.6 | -59.4 | 175.9 | 0 | 0 | 0 | 110.2 | D95 P96 E97 G102 A103 F104 C157 I160 T161 | D95-I100 HydrophobicContact CB-CD1 4.38Å; D95-I100 HydrophobicContact CB-CG1 3.8Å; D95-I100 WeakPolarHBondContact O-CD1 3.47Å; P96-I100 PolarHBondContact O-N 2.91Å; E97-I100 PolarHBondContact O-N 3.11Å; I100-G102 VanDerWaalsContact C-N 3.27Å; I100-G102 PolarHBondContact O-N 3.43Å; I100-A103 WeakPolarHBondContact O-CB 3.2Å; I100-A103 PolarHBondContact O-N 2.71Å; I100-A103 VanDerWaalsContact O-N 3.14Å; I100-F104 HydrophobicContact CG2-CD2 4.16Å; I100-F104 HydrophobicContact CG2-CE2 4.03Å; I100-F104 WeakPolarHBondContact O-CD2 3.1Å; I100-F104 PolarHBondContact O-N 2.79Å; I100-F104 VanDerWaalsContact O-N 3.15Å; I100-C157 HydrophobicContact CG2-CB 4.39Å; I100-I160 HydrophobicContact CD1-CG2 3.94Å; I100-T161 HydrophobicContact CD1-CG2 3.94Å |
| 101 | T | 91.2 | Very high | 84.6 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 12% | 0.123 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | E97 V99 A103 F104 K105 Y153 | E97-T101 WeakPolarHBondContact O-CB 3.35Å; E97-T101 PolarHBondContact O-N 3.22Å; E97-T101 PolarHBondContact O-OG1 3.45Å; V99-T101 PolarHBondContact O-N 3.35Å; T101-A103 VanDerWaalsContact C-N 3.32Å; T101-A103 PolarHBondContact O-N 3.37Å; T101-F104 PolarHBondContact O-N 3.26Å; T101-K105 HydrophobicContact CG2-CD 4.31Å; T101-K105 WeakPolarHBondContact O-CG 3.39Å; T101-K105 PolarHBondContact O-N 2.97Å; T101-Y153 HydrophobicContact CG2-CE2 4.4Å |
| 102 | G | 91.8 | Very high | 85.9 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 32% | 0.32 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D98 V99 I100 K105 V106 | D98-G102 WeakPolarHBondContact O-CA 3.11Å; D98-G102 PolarHBondContact O-N 3.09Å; V99-G102 WeakPolarHBondContact O-CA 3.44Å; V99-G102 PolarHBondContact O-N 2.72Å; I100-G102 VanDerWaalsContact C-N 3.27Å; I100-G102 PolarHBondContact O-N 3.43Å; G102-K105 PolarHBondContact O-N 3.37Å; G102-V106 PolarHBondContact O-N 3.21Å |
| 103 | A | 91.3 | Very high | 87.4 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 52% | 0.521 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V99 I100 T101 K105 V106 | V99-A103 PolarHBondContact O-N 3.23Å; I100-A103 WeakPolarHBondContact O-CB 3.2Å; I100-A103 PolarHBondContact O-N 2.71Å; I100-A103 VanDerWaalsContact O-N 3.14Å; T101-A103 VanDerWaalsContact C-N 3.32Å; T101-A103 PolarHBondContact O-N 3.37Å; A103-K105 VanDerWaalsContact C-N 3.34Å; A103-K105 PolarHBondContact O-N 2.89Å; A103-V106 WeakPolarHBondContact O-CB 3.48Å; A103-V106 PolarHBondContact O-N 3.45Å |
| 104 | F | 92.9 | Very high | 89 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.7 | -34.1 | 175.8 | -81.2 | -73.8 | 0 | 0 | 0 | 113.3 | I100 T101 V106 L107 D108 I115 L120 Y153 I156 C157 | I100-F104 HydrophobicContact CG2-CD2 4.16Å; I100-F104 HydrophobicContact CG2-CE2 4.03Å; I100-F104 WeakPolarHBondContact O-CD2 3.1Å; I100-F104 PolarHBondContact O-N 2.79Å; I100-F104 VanDerWaalsContact O-N 3.15Å; T101-F104 PolarHBondContact O-N 3.26Å; F104-V106 PolarHBondContact O-N 3.07Å; F104-L107 HydrophobicContact CD1-CD1 4.32Å; F104-L107 WeakPolarHBondContact O-CA 3.48Å; F104-L107 WeakPolarHBondContact O-CB 3.44Å; F104-L107 PolarHBondContact O-N 3.37Å; F104-D108 PolarHBondContact O-N 3.49Å; F104-I115 HydrophobicContact CB-CD1 4.39Å; F104-I115 HydrophobicContact CD1-CD1 3.58Å; F104-I115 HydrophobicContact CE1-CD1 4.37Å; F104-I115 HydrophobicContact CG-CD1 4.45Å; F104-L120 HydrophobicContact CE1-CD1 4.02Å; F104-L120 HydrophobicContact CE1-CD2 4.18Å; F104-Y153 HydrophobicContact CB-CD1 4.46Å; F104-Y153 HydrophobicContact CB-CD2 3.32Å; F104-Y153 HydrophobicContact CB-CE2 3.64Å; F104-Y153 HydrophobicContact CB-CG 3.79Å; F104-Y153 HydrophobicContact CD1-CD2 4.39Å; F104-Y153 HydrophobicContact CD1-CG 4.11Å; F104-Y153 HydrophobicContact CD2-CD2 4.28Å; F104-Y153 AromaticContact CG-CD2 3.78Å; F104-Y153 HydrophobicContact CG-CD2 3.78Å; F104-Y153 AromaticContact CG-CG 3.96Å; F104-Y153 HydrophobicContact CG-CG 3.96Å; F104-I156 HydrophobicContact CZ-CG2 4.45Å; F104-C157 VanDerWaalsContact CD2-SG 3.54Å |
| 105 | K | 93.1 | Very high | 90.3 | Very high | 121 Ų | 121 | 66.7 Ų | 66.7 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.5 | -27 | 175.6 | -79.5 | 170.7 | 171 | 170.2 | 0 | 112.9 | T101 G102 A103 L107 D108 | T101-K105 HydrophobicContact CG2-CD 4.31Å; T101-K105 WeakPolarHBondContact O-CG 3.39Å; T101-K105 PolarHBondContact O-N 2.97Å; G102-K105 PolarHBondContact O-N 3.37Å; A103-K105 VanDerWaalsContact C-N 3.34Å; A103-K105 PolarHBondContact O-N 2.89Å; K105-L107 PolarHBondContact O-N 3.38Å; K105-D108 CarbonylContact O-C 3.48Å; K105-D108 PolarHBondContact O-N 3.09Å |
| 106 | V | 91.9 | Very high | 91 | Very high | 119 Ų | 119 | 66.9 Ų | 66.9 | 72% | 0.721 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.3 | -28.9 | 173 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | G102 A103 F104 | G102-V106 PolarHBondContact O-N 3.21Å; A103-V106 WeakPolarHBondContact O-CB 3.48Å; A103-V106 PolarHBondContact O-N 3.45Å; F104-V106 PolarHBondContact O-N 3.07Å |
| 107 | L | 90.6 | Very high | 91.7 | Very high | 60 Ų | 60 | 66.2 Ų | 66.2 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -85.9 | -13.8 | 178 | -54.7 | -179.2 | 0 | 0 | 0 | 113.3 | F104 K105 P109 I115 F119 L123 | F104-L107 HydrophobicContact CD1-CD1 4.32Å; F104-L107 WeakPolarHBondContact O-CA 3.48Å; F104-L107 WeakPolarHBondContact O-CB 3.44Å; F104-L107 PolarHBondContact O-N 3.37Å; K105-L107 PolarHBondContact O-N 3.38Å; L107-P109 WeakPolarHBondContact O-CD 3.41Å; L107-I115 HydrophobicContact CB-CD1 3.86Å; L107-I115 HydrophobicContact CD1-CD1 4.33Å; L107-F119 HydrophobicContact CB-CE1 4.25Å; L107-F119 HydrophobicContact CD2-CE1 4.32Å; L107-L123 HydrophobicContact CD1-CD1 3.88Å; L107-L123 HydrophobicContact CD2-CD1 3.85Å; L107-L123 HydrophobicContact CG-CD1 4.49Å |
| 108 | D | 93.5 | Very high | 92 | Very high | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.053 | 39% | 0.394 | C | S | . | . | trans | -124.5 | 73 | 179.4 | -178.8 | 17.8 | 0 | 0 | 0 | 110.8 | F104 K105 E110 G111 K112 G113 I115 Y153 | F104-D108 PolarHBondContact O-N 3.49Å; K105-D108 CarbonylContact O-C 3.48Å; K105-D108 PolarHBondContact O-N 3.09Å; D108-E110 PolarHBondContact O-N 3.17Å; D108-E110 VanDerWaalsContact O-N 3.12Å; D108-G111 PolarHBondContact O-N 3.38Å; D108-G111 PolarHBondContact OD1-N 3.49Å; D108-K112 PolarHBondContact OD1-N 3.33Å; D108-K112 WeakPolarHBondContact OD2-CA 3.36Å; D108-K112 PolarHBondContact OD2-N 3.43Å; D108-G113 PolarHBondContact OD2-N 2.96Å; D108-I115 HydrophobicContact CB-CG1 4.26Å; D108-Y153 HydrophobicContact CB-CE1 4.02Å | ||
| 109 | P | 89.8 | Confident | 92.3 | Very high | 118 Ų | 118 | 70.4 Ų | 70.4 | 77% | 0.766 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.4 | -178.2 | 26 | -35 | 0 | 0 | 0 | 113.3 | L107 | L107-P109 WeakPolarHBondContact O-CD 3.41Š|
| 110 | E | 91.1 | Very high | 92.5 | Very high | 143 Ų | 143 | 67.3 Ų | 67.3 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8.2 | 176.9 | -66.1 | 176.4 | 87.1 | 0 | 0 | 112.5 | D108 K112 | D108-E110 PolarHBondContact O-N 3.17Å; D108-E110 VanDerWaalsContact O-N 3.12Å; E110-K112 VanDerWaalsContact C-N 3.28Å; E110-K112 HydrophobicContact CB-CD 4.2Å; E110-K112 HydrophobicContact CB-CG 4.06Å; E110-K112 VanDerWaalsContact CD-CE 3.44Å; E110-K112 PolarHBondContact O-N 2.82Å; E110-K112 VanDerWaalsContact OE1-CE 3.32Å; E110-K112 WeakPolarHBondContact OE1-CE 3.42Å; E110-K112 IonicContact OE1-NZ 2.68Å; E110-K112 PolarHBondContact OE1-NZ 3Å; E110-K112 WeakPolarHBondContact OE2-CE 3.47Å; E110-K112 IonicContact OE2-NZ 2.77Å; E110-K112 PolarHBondContact OE2-NZ 2.98Å |
| 111 | G | 90.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 69.3 Ų | 69.3 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | trans | 64.8 | 29.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | D108 G113 | D108-G111 PolarHBondContact O-N 3.38Å; D108-G111 PolarHBondContact OD1-N 3.49Å; G111-G113 PolarHBondContact O-N 2.78Å | ||
| 112 | K | 92.7 | Very high | 92.8 | Very high | 121 Ų | 121 | 74.3 Ų | 74.3 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | trans | -63.7 | -26.6 | 179.5 | -69.6 | 171.1 | 176.3 | 164.3 | 0 | 112.6 | D108 E110 T114 | D108-K112 PolarHBondContact OD1-N 3.33Å; D108-K112 WeakPolarHBondContact OD2-CA 3.36Å; D108-K112 PolarHBondContact OD2-N 3.43Å; E110-K112 VanDerWaalsContact C-N 3.28Å; E110-K112 HydrophobicContact CB-CD 4.2Å; E110-K112 HydrophobicContact CB-CG 4.06Å; E110-K112 VanDerWaalsContact CD-CE 3.44Å; E110-K112 PolarHBondContact O-N 2.82Å; E110-K112 VanDerWaalsContact OE1-CE 3.32Å; E110-K112 WeakPolarHBondContact OE1-CE 3.42Å; E110-K112 IonicContact OE1-NZ 2.68Å; E110-K112 PolarHBondContact OE1-NZ 3Å; E110-K112 WeakPolarHBondContact OE2-CE 3.47Å; E110-K112 IonicContact OE2-NZ 2.77Å; E110-K112 PolarHBondContact OE2-NZ 2.98Å; K112-T114 VanDerWaalsContact C-N 3.25Å | ||
| 113 | G | 92.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 75 Ų | 75 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 80 | 8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D108 G111 Y153 | D108-G113 PolarHBondContact OD2-N 2.96Å; G111-G113 PolarHBondContact O-N 2.78Å; G113-Y153 VanDerWaalsContact C-CD1 3.48Å; G113-Y153 WeakPolarHBondContact O-CD1 3.27Å; G113-Y153 WeakPolarHBondContact O-CE1 3.41Å |
| 114 | T | 95.2 | Very high | 92.8 | Very high | 44 Ų | 44 | 73.9 Ų | 73.9 | 27% | 0.27 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.7 | -178.4 | 66 | 0 | 0 | 0 | 0 | 111.4 | K112 V151 | K112-T114 VanDerWaalsContact C-N 3.25Å; T114-V151 CarbonylContact C-O 3.52Å; T114-V151 WeakPolarHBondContact CA-O 3.42Å |
| 115 | I | 95.4 | Very high | 92.8 | Very high | 7 Ų | 7 | 75.1 Ų | 75.1 | 4% | 0.036 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.5 | 178.6 | -65 | 161.1 | 0 | 0 | 0 | 109.7 | F104 L107 D108 K117 F119 L120 N150 V151 Y153 | F104-I115 HydrophobicContact CB-CD1 4.39Å; F104-I115 HydrophobicContact CD1-CD1 3.58Å; F104-I115 HydrophobicContact CE1-CD1 4.37Å; F104-I115 HydrophobicContact CG-CD1 4.45Å; L107-I115 HydrophobicContact CB-CD1 3.86Å; L107-I115 HydrophobicContact CD1-CD1 4.33Å; D108-I115 HydrophobicContact CB-CG1 4.26Å; I115-K117 PolarHBondContact O-N 3.32Å; I115-F119 HydrophobicContact CG2-CD1 3.78Å; I115-L120 HydrophobicContact CG2-CB 4.17Å; I115-N150 CarbonylContact O-C 3.55Å; I115-N150 WeakPolarHBondContact O-CA 3.43Å; I115-V151 PolarHBondContact N-O 3.47Å; I115-V151 PolarHBondContact O-N 2.88Å; I115-Y153 HydrophobicContact CD1-CD1 3.59Å; I115-Y153 HydrophobicContact CD1-CE1 4.14Å; I115-Y153 HydrophobicContact CD1-CG 4.09Å; I115-Y153 HydrophobicContact CG1-CD1 3.74Å; I115-Y153 HydrophobicContact CG1-CE1 4.15Å |
| 116 | K | 95 | Very high | 92.6 | Very high | 104 Ų | 104 | 72 Ų | 72 | 45% | 0.452 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 127.3 | 175.3 | -72.9 | -64.4 | -174.5 | -162.8 | 0 | 110.7 | K118 F119 L120 G148 N150 | K116-K118 VanDerWaalsContact C-N 3.27Å; K116-K118 PolarHBondContact O-N 3.4Å; K116-F119 HydrophobicContact CB-CB 4.21Å; K116-F119 WeakPolarHBondContact O-CB 3.38Å; K116-F119 PolarHBondContact O-N 3.09Å; K116-L120 PolarHBondContact O-N 2.77Å; K116-L120 VanDerWaalsContact O-N 3.08Å; K116-G148 PolarHBondContact NZ-O 3.4Å; K116-N150 VanDerWaalsContact CD-OD1 3.28Å; K116-N150 WeakPolarHBondContact CD-OD1 3.29Å; K116-N150 WeakPolarHBondContact CE-OD1 3.5Å; K116-N150 PolarHBondContact NZ-OD1 3.34Å |
| 117 | K | 94.6 | Very high | 92.2 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 27% | 0.27 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -46.5 | -51.1 | 176.3 | 175.4 | -176 | 168.1 | 174.5 | 0 | 111.9 | I115 F119 L120 E121 W140 P145 G149 V151 | I115-K117 PolarHBondContact O-N 3.32Å; K117-F119 VanDerWaalsContact C-N 3.3Å; K117-F119 PolarHBondContact O-N 3.2Å; K117-L120 PolarHBondContact O-N 3.12Å; K117-E121 WeakPolarHBondContact CE-OE2 3.33Å; K117-E121 VanDerWaalsContact O-CB 3.31Å; K117-E121 WeakPolarHBondContact O-CB 3.18Å; K117-E121 PolarHBondContact O-N 3.24Å; K117-W140 HydrophobicContact CD-CD2 4.22Å; K117-W140 HydrophobicContact CD-CG 4.4Å; K117-W140 VanDerWaalsContact CE-NE1 3.25Å; K117-W140 HydrophobicContact CG-CD2 4.14Å; K117-W140 HydrophobicContact CG-CE3 4.4Å; K117-W140 HydrophobicContact CG-CH2 4.24Å; K117-W140 HydrophobicContact CG-CZ2 3.91Å; K117-W140 HydrophobicContact CG-CZ3 4.46Å; K117-P145 HydrophobicContact CB-CB 4.35Å; K117-P145 HydrophobicContact CD-CG 3.96Å; K117-G149 PolarHBondContact N-O 3.43Å; K117-V151 HydrophobicContact CB-CG2 3.89Å |
| 118 | K | 93.6 | Very high | 91.8 | Very high | 181 Ų | 181 | 74.7 Ų | 74.7 | 79% | 0.787 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.3 | -41.4 | -177.4 | -71.6 | -172.8 | 176.5 | -178.4 | 0 | 112.8 | K116 E122 | K116-K118 VanDerWaalsContact C-N 3.27Å; K116-K118 PolarHBondContact O-N 3.4Å; K118-E122 WeakPolarHBondContact O-CB 3.44Å; K118-E122 PolarHBondContact O-N 2.76Å |
| 119 | F | 93.3 | Very high | 91.4 | Very high | 93 Ų | 93 | 81.7 Ų | 81.7 | 41% | 0.408 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 179.6 | 175.7 | -116 | 0 | 0 | 0 | 111.1 | L107 I115 K116 K117 E122 L123 | L107-F119 HydrophobicContact CB-CE1 4.25Å; L107-F119 HydrophobicContact CD2-CE1 4.32Å; I115-F119 HydrophobicContact CG2-CD1 3.78Å; K116-F119 HydrophobicContact CB-CB 4.21Å; K116-F119 WeakPolarHBondContact O-CB 3.38Å; K116-F119 PolarHBondContact O-N 3.09Å; K117-F119 VanDerWaalsContact C-N 3.3Å; K117-F119 PolarHBondContact O-N 3.2Å; F119-E122 PolarHBondContact O-N 2.98Å; F119-L123 HydrophobicContact CD1-CD1 4.09Å; F119-L123 HydrophobicContact CE1-CD1 3.63Å; F119-L123 HydrophobicContact CE2-CD1 4.09Å; F119-L123 HydrophobicContact CE2-CG 4.31Å; F119-L123 HydrophobicContact CZ-CD1 3.63Å; F119-L123 HydrophobicContact CZ-CG 4.32Å; F119-L123 WeakPolarHBondContact O-CG 3.44Å; F119-L123 PolarHBondContact O-N 3.36Å |
| 120 | L | 92.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 84.2 Ų | 84.2 | 2% | 0.021 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 177.1 | -174.2 | 55.6 | 0 | 0 | 0 | 112 | F104 I115 K116 K117 L123 L124 M139 W140 | F104-L120 HydrophobicContact CE1-CD1 4.02Å; F104-L120 HydrophobicContact CE1-CD2 4.18Å; I115-L120 HydrophobicContact CG2-CB 4.17Å; K116-L120 PolarHBondContact O-N 2.77Å; K116-L120 VanDerWaalsContact O-N 3.08Å; K117-L120 PolarHBondContact O-N 3.12Å; L120-L123 PolarHBondContact O-N 3.28Å; L120-L124 HydrophobicContact CD1-CD1 4.19Å; L120-L124 HydrophobicContact CD1-CG 4.21Å; L120-L124 HydrophobicContact CG-CD1 4.04Å; L120-L124 HydrophobicContact CG-CG 4.47Å; L120-L124 WeakPolarHBondContact O-CB 3.22Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.44Å; L120-L124 PolarHBondContact O-N 3.45Å; L120-M139 HydrophobicContact CD2-CE 3.96Å; L120-W140 HydrophobicContact CB-CH2 4.29Å; L120-W140 HydrophobicContact CD2-CH2 3.93Å; L120-W140 HydrophobicContact CD2-CZ3 4.43Å; L120-W140 HydrophobicContact CG-CH2 4.09Å |
| 121 | E | 93.7 | Very high | 91.4 | Very high | 68 Ų | 68 | 81.3 Ų | 81.3 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.1 | -168.2 | 171.1 | 141.8 | 0 | 0 | 112.1 | K117 L124 T125 I136 W140 | K117-E121 WeakPolarHBondContact CE-OE2 3.33Å; K117-E121 VanDerWaalsContact O-CB 3.31Å; K117-E121 WeakPolarHBondContact O-CB 3.18Å; K117-E121 PolarHBondContact O-N 3.24Å; E121-L124 PolarHBondContact O-N 3.34Å; E121-T125 WeakPolarHBondContact O-CB 3.48Å; E121-T125 VanDerWaalsContact O-CG2 3.3Å; E121-T125 WeakPolarHBondContact O-CG2 3.42Å; E121-T125 PolarHBondContact O-N 2.76Å; E121-T125 VanDerWaalsContact O-N 3.09Å; E121-T125 PolarHBondContact O-OG1 2.94Å; E121-I136 HydrophobicContact CG-CG2 3.8Å; E121-W140 HydrophobicContact CB-CZ2 3.91Å; E121-W140 HydrophobicContact CG-CZ2 4.39Å; E121-W140 PolarHBondContact OE2-NE1 3.2Å |
| 122 | E | 93.6 | Very high | 91.5 | Very high | 124 Ų | 124 | 82 Ų | 82 | 58% | 0.579 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 175.7 | -176.1 | 175.6 | -173.9 | 0 | 0 | 111.3 | K118 F119 T125 T126 | K118-E122 WeakPolarHBondContact O-CB 3.44Å; K118-E122 PolarHBondContact O-N 2.76Å; F119-E122 PolarHBondContact O-N 2.98Å; E122-T125 PolarHBondContact O-N 2.88Å; E122-T125 PolarHBondContact O-OG1 2.91Å; E122-T126 HydrophobicContact CG-CG2 4.28Å; E122-T126 VanDerWaalsContact O-CB 3.29Å; E122-T126 WeakPolarHBondContact O-CB 3.42Å; E122-T126 VanDerWaalsContact O-CG2 3.24Å; E122-T126 WeakPolarHBondContact O-CG2 3.17Å; E122-T126 PolarHBondContact O-N 3.24Å; E122-T126 PolarHBondContact O-OG1 3.47Å |
| 123 | L | 91.6 | Very high | 91.5 | Very high | 47 Ų | 47 | 81.7 Ų | 81.7 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60 | -50.5 | 175.6 | -74.5 | 171.5 | 0 | 0 | 0 | 111.8 | L107 F119 L120 T125 T126 Q127 | L107-L123 HydrophobicContact CD1-CD1 3.88Å; L107-L123 HydrophobicContact CD2-CD1 3.85Å; L107-L123 HydrophobicContact CG-CD1 4.49Å; F119-L123 HydrophobicContact CD1-CD1 4.09Å; F119-L123 HydrophobicContact CE1-CD1 3.63Å; F119-L123 HydrophobicContact CE2-CD1 4.09Å; F119-L123 HydrophobicContact CE2-CG 4.31Å; F119-L123 HydrophobicContact CZ-CD1 3.63Å; F119-L123 HydrophobicContact CZ-CG 4.32Å; F119-L123 WeakPolarHBondContact O-CG 3.44Å; F119-L123 PolarHBondContact O-N 3.36Å; L120-L123 PolarHBondContact O-N 3.28Å; L123-T125 PolarHBondContact O-N 3.39Å; L123-T126 PolarHBondContact O-N 3.26Å; L123-Q127 HydrophobicContact CD2-CG 4.01Å; L123-Q127 WeakPolarHBondContact O-CB 3.32Å; L123-Q127 PolarHBondContact O-N 3.27Å |
| 124 | L | 91.1 | Very high | 91.5 | Very high | 39 Ų | 39 | 88.1 Ų | 88.1 | 20% | 0.204 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.1 | -19.5 | -176.5 | -67.7 | 174.8 | 0 | 0 | 0 | 114 | L120 E121 R130 F131 I136 M139 | L120-L124 HydrophobicContact CD1-CD1 4.19Å; L120-L124 HydrophobicContact CD1-CG 4.21Å; L120-L124 HydrophobicContact CG-CD1 4.04Å; L120-L124 HydrophobicContact CG-CG 4.47Å; L120-L124 WeakPolarHBondContact O-CB 3.22Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.44Å; L120-L124 PolarHBondContact O-N 3.45Å; E121-L124 PolarHBondContact O-N 3.34Å; L124-R130 WeakPolarHBondContact O-CA 3.39Å; L124-F131 HydrophobicContact CB-CB 4.48Å; L124-F131 HydrophobicContact CB-CD1 4.18Å; L124-F131 HydrophobicContact CB-CG 4.3Å; L124-F131 HydrophobicContact CD2-CD1 4.15Å; L124-F131 HydrophobicContact CD2-CE1 3.93Å; L124-F131 HydrophobicContact CD2-CZ 4.4Å; L124-F131 PolarHBondContact O-N 3.14Å; L124-I136 HydrophobicContact CB-CD1 3.85Å; L124-I136 HydrophobicContact CD1-CD1 4.13Å; L124-M139 HydrophobicContact CD1-CE 3.97Å; L124-M139 HydrophobicContact CD1-SD 3.52Å; L124-M139 VanDerWaalsContact CD1-SD 3.52Å |
| 125 | T | 92.4 | Very high | 91.3 | Very high | 55 Ų | 55 | 90.5 Ų | 90.5 | 34% | 0.337 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -103.2 | -12.5 | -179.7 | 56 | 0 | 0 | 0 | 0 | 113.4 | E121 E122 L123 R130 I136 | E121-T125 WeakPolarHBondContact O-CB 3.48Å; E121-T125 VanDerWaalsContact O-CG2 3.3Å; E121-T125 WeakPolarHBondContact O-CG2 3.42Å; E121-T125 PolarHBondContact O-N 2.76Å; E121-T125 VanDerWaalsContact O-N 3.09Å; E121-T125 PolarHBondContact O-OG1 2.94Å; E122-T125 PolarHBondContact O-N 2.88Å; E122-T125 PolarHBondContact O-OG1 2.91Å; L123-T125 PolarHBondContact O-N 3.39Å; T125-R130 VanDerWaalsContact O-CD 3.24Å; T125-R130 WeakPolarHBondContact O-CD 3.46Å; T125-R130 WeakPolarHBondContact O-CG 3.28Å; T125-I136 HydrophobicContact CG2-CD1 4.06Å; T125-I136 HydrophobicContact CG2-CG1 3.78Å |
| 126 | T | 88.9 | Confident | 91.2 | Very high | 56 Ų | 56 | 90.7 Ų | 90.7 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -114.4 | -34.4 | -177.6 | 64.5 | 0 | 0 | 0 | 0 | 113.7 | E122 L123 R130 | E122-T126 HydrophobicContact CG-CG2 4.28Å; E122-T126 VanDerWaalsContact O-CB 3.29Å; E122-T126 WeakPolarHBondContact O-CB 3.42Å; E122-T126 VanDerWaalsContact O-CG2 3.24Å; E122-T126 WeakPolarHBondContact O-CG2 3.17Å; E122-T126 PolarHBondContact O-N 3.24Å; E122-T126 PolarHBondContact O-OG1 3.47Å; L123-T126 PolarHBondContact O-N 3.26Å; T126-R130 PolarHBondContact O-NE 3.24Å; T126-R130 PolarHBondContact O-NH2 3.23Å |
| 127 | Q | 83.4 | Confident | 91.1 | Very high | 111 Ų | 111 | 93 Ų | 93 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -101.5 | 151.1 | -174.5 | -52.3 | -55.9 | -51.1 | 0 | 0 | 111.6 | L123 | L123-Q127 HydrophobicContact CD2-CG 4.01Å; L123-Q127 WeakPolarHBondContact O-CB 3.32Å; L123-Q127 PolarHBondContact O-N 3.27Å |
| 128 | C | 82.9 | Confident | 91 | Very high | 124 Ų | 124 | 94.3 Ų | 94.3 | 84% | 0.838 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 53.2 | -145 | 173.8 | -60 | 0 | 0 | 0 | 0 | 113.5 | R130 | C128-R130 PolarHBondContact O-N 2.93Š|
| 129 | D | 84.6 | Confident | 90.9 | Very high | 157 Ų | 157 | 87 Ų | 87 | 84% | 0.84 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -73.7 | 110.5 | 171.8 | -69.8 | -24.4 | 0 | 0 | 0 | 108.8 | ||
| 130 | R | 90.1 | Very high | 90.9 | Very high | 171 Ų | 171 | 83.7 Ų | 83.7 | 65% | 0.645 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 133.2 | -168.6 | -62.6 | 171.3 | -177.5 | 170.3 | 3 | 110.7 | L124 T125 T126 C128 | L124-R130 WeakPolarHBondContact O-CA 3.39Å; T125-R130 VanDerWaalsContact O-CD 3.24Å; T125-R130 WeakPolarHBondContact O-CD 3.46Å; T125-R130 WeakPolarHBondContact O-CG 3.28Å; T126-R130 PolarHBondContact O-NE 3.24Å; T126-R130 PolarHBondContact O-NH2 3.23Å; C128-R130 PolarHBondContact O-N 2.93Å |
| 131 | F | 90.6 | Very high | 90.8 | Very high | 82 Ų | 82 | 87.3 Ų | 87.3 | 36% | 0.36 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 138.4 | 171.5 | -78.9 | 52.5 | 0 | 0 | 0 | 109.7 | L124 E135 I136 | L124-F131 HydrophobicContact CB-CB 4.48Å; L124-F131 HydrophobicContact CB-CD1 4.18Å; L124-F131 HydrophobicContact CB-CG 4.3Å; L124-F131 HydrophobicContact CD2-CD1 4.15Å; L124-F131 HydrophobicContact CD2-CE1 3.93Å; L124-F131 HydrophobicContact CD2-CZ 4.4Å; L124-F131 PolarHBondContact O-N 3.14Å; F131-E135 HydrophobicContact CB-CB 4.24Å; F131-E135 HydrophobicContact CD2-CB 3.68Å; F131-E135 HydrophobicContact CE2-CB 4.45Å; F131-E135 HydrophobicContact CG-CB 4.32Å; F131-I136 HydrophobicContact CB-CD1 3.6Å; F131-I136 HydrophobicContact CB-CG1 3.75Å; F131-I136 HydrophobicContact CD2-CD1 4.11Å; F131-I136 HydrophobicContact CG-CD1 4.09Å |
| 132 | T | 93.9 | Very high | 90.6 | Very high | 68 Ų | 68 | 87 Ų | 87 | 42% | 0.417 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 158.8 | 168.7 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | E134 E135 I136 | T132-E134 PolarHBondContact O-N 3.15Å; T132-E134 VanDerWaalsContact O-N 3.15Å; T132-E135 WeakPolarHBondContact CB-OE2 3.28Å; T132-E135 WeakPolarHBondContact CG2-OE2 3.44Å; T132-E135 PolarHBondContact N-OE2 2.92Å; T132-E135 PolarHBondContact O-N 2.88Å; T132-E135 VanDerWaalsContact O-N 3.15Å; T132-E135 VanDerWaalsContact OG1-CD 3.26Å; T132-E135 VanDerWaalsContact OG1-CG 3.27Å; T132-E135 WeakPolarHBondContact OG1-CG 3.43Å; T132-E135 PolarHBondContact OG1-N 3.12Å; T132-E135 PolarHBondContact OG1-OE2 2.93Å; T132-I136 PolarHBondContact O-N 2.92Å |
| 133 | P | 91.4 | Very high | 90.6 | Very high | 115 Ų | 115 | 82.5 Ų | 82.5 | 75% | 0.747 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -56.9 | -30.1 | 175.7 | -25.9 | 35.1 | 0 | 0 | 0 | 113.6 | K137 | P133-K137 WeakPolarHBondContact O-CB 3.19Å; P133-K137 PolarHBondContact O-N 3.34Å; P133-K137 VanDerWaalsContact O-N 3.08Å |
| 134 | E | 93.4 | Very high | 90.6 | Very high | 139 Ų | 139 | 84.8 Ų | 84.8 | 65% | 0.65 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72.9 | -42.9 | 177.6 | -172.4 | 166.2 | -170.9 | 0 | 0 | 111.8 | T132 I136 K137 N138 | T132-E134 PolarHBondContact O-N 3.15Å; T132-E134 VanDerWaalsContact O-N 3.15Å; E134-I136 PolarHBondContact O-N 2.61Å; E134-K137 WeakPolarHBondContact O-CB 3.42Å; E134-K137 PolarHBondContact O-N 2.75Å; E134-N138 WeakPolarHBondContact O-CB 3.43Å; E134-N138 PolarHBondContact O-N 2.83Å; E134-N138 PolarHBondContact O-ND2 3.48Å |
| 135 | E | 92.3 | Very high | 90.7 | Very high | 94 Ų | 94 | 85 Ų | 85 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.6 | -70.2 | 161.7 | 142.8 | 0 | 0 | 111.9 | F131 T132 K137 N138 M139 | F131-E135 HydrophobicContact CB-CB 4.24Å; F131-E135 HydrophobicContact CD2-CB 3.68Å; F131-E135 HydrophobicContact CE2-CB 4.45Å; F131-E135 HydrophobicContact CG-CB 4.32Å; T132-E135 WeakPolarHBondContact CB-OE2 3.28Å; T132-E135 WeakPolarHBondContact CG2-OE2 3.44Å; T132-E135 PolarHBondContact N-OE2 2.92Å; T132-E135 PolarHBondContact O-N 2.88Å; T132-E135 VanDerWaalsContact O-N 3.15Å; T132-E135 VanDerWaalsContact OG1-CD 3.26Å; T132-E135 VanDerWaalsContact OG1-CG 3.27Å; T132-E135 WeakPolarHBondContact OG1-CG 3.43Å; T132-E135 PolarHBondContact OG1-N 3.12Å; T132-E135 PolarHBondContact OG1-OE2 2.93Å; E135-K137 VanDerWaalsContact C-N 3.35Å; E135-K137 PolarHBondContact O-N 2.81Å; E135-N138 PolarHBondContact O-N 2.79Å; E135-M139 WeakPolarHBondContact O-CB 3.46Å; E135-M139 PolarHBondContact O-N 3.34Å |
| 136 | I | 93.1 | Very high | 90.8 | Very high | 10 Ų | 10 | 86.2 Ų | 86.2 | 5% | 0.051 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 173.5 | -69.1 | -58.9 | 0 | 0 | 0 | 111.2 | E121 L124 T125 F131 T132 E134 N138 M139 W140 | E121-I136 HydrophobicContact CG-CG2 3.8Å; L124-I136 HydrophobicContact CB-CD1 3.85Å; L124-I136 HydrophobicContact CD1-CD1 4.13Å; T125-I136 HydrophobicContact CG2-CD1 4.06Å; T125-I136 HydrophobicContact CG2-CG1 3.78Å; F131-I136 HydrophobicContact CB-CD1 3.6Å; F131-I136 HydrophobicContact CB-CG1 3.75Å; F131-I136 HydrophobicContact CD2-CD1 4.11Å; F131-I136 HydrophobicContact CG-CD1 4.09Å; T132-I136 PolarHBondContact O-N 2.92Å; E134-I136 PolarHBondContact O-N 2.61Å; I136-N138 VanDerWaalsContact C-N 3.34Å; I136-N138 PolarHBondContact O-N 2.77Å; I136-M139 PolarHBondContact O-N 3.02Å; I136-W140 PolarHBondContact O-N 2.75Å; I136-W140 VanDerWaalsContact O-N 3.11Å |
| 137 | K | 92.8 | Very high | 90.9 | Very high | 152 Ų | 152 | 91.3 Ų | 91.3 | 66% | 0.661 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 177.6 | -178.1 | -173.1 | 174.5 | -168.4 | 0 | 111.3 | P133 E134 E135 W140 A141 | P133-K137 WeakPolarHBondContact O-CB 3.19Å; P133-K137 PolarHBondContact O-N 3.34Å; P133-K137 VanDerWaalsContact O-N 3.08Å; E134-K137 WeakPolarHBondContact O-CB 3.42Å; E134-K137 PolarHBondContact O-N 2.75Å; E135-K137 VanDerWaalsContact C-N 3.35Å; E135-K137 PolarHBondContact O-N 2.81Å; K137-W140 PolarHBondContact O-N 2.9Å; K137-A141 PolarHBondContact O-N 3.08Å; K137-A141 VanDerWaalsContact O-N 3.08Å |
| 138 | N | 92.1 | Very high | 91.4 | Very high | 91 Ų | 91 | 88.1 Ų | 88.1 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 178.6 | -67.9 | -17.3 | 0 | 0 | 0 | 111.3 | E134 E135 I136 W140 A141 A142 | E134-N138 WeakPolarHBondContact O-CB 3.43Å; E134-N138 PolarHBondContact O-N 2.83Å; E134-N138 PolarHBondContact O-ND2 3.48Å; E135-N138 PolarHBondContact O-N 2.79Å; I136-N138 VanDerWaalsContact C-N 3.34Å; I136-N138 PolarHBondContact O-N 2.77Å; N138-W140 VanDerWaalsContact C-N 3.35Å; N138-W140 PolarHBondContact O-N 2.9Å; N138-A141 WeakPolarHBondContact O-CB 3.5Å; N138-A141 PolarHBondContact O-N 3.03Å; N138-A142 PolarHBondContact O-N 3.08Å |
| 139 | M | 90.9 | Very high | 91.9 | Very high | 26 Ų | 26 | 83.5 Ų | 83.5 | 13% | 0.128 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 175.1 | -175.4 | -180 | -176.2 | 0 | 0 | 111.8 | L120 L124 E135 I136 A141 A142 F143 I156 | L120-M139 HydrophobicContact CD2-CE 3.96Å; L124-M139 HydrophobicContact CD1-CE 3.97Å; L124-M139 HydrophobicContact CD1-SD 3.52Å; L124-M139 VanDerWaalsContact CD1-SD 3.52Å; E135-M139 WeakPolarHBondContact O-CB 3.46Å; E135-M139 PolarHBondContact O-N 3.34Å; I136-M139 PolarHBondContact O-N 3.02Å; M139-A141 VanDerWaalsContact C-N 3.33Å; M139-A141 PolarHBondContact O-N 2.8Å; M139-A142 PolarHBondContact O-N 3.14Å; M139-F143 HydrophobicContact CG-CD2 4.32Å; M139-F143 WeakPolarHBondContact O-CD2 3.18Å; M139-F143 PolarHBondContact O-N 3.19Å; M139-I156 HydrophobicContact CE-CD1 3.85Å |
| 140 | W | 93 | Very high | 92.4 | Very high | 24 Ų | 24 | 77.7 Ų | 77.7 | 9% | 0.091 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -76 | -19.5 | 179.5 | -55.3 | 137.2 | 0 | 0 | 0 | 114.5 | K117 L120 E121 I136 K137 N138 P144 V151 | K117-W140 HydrophobicContact CD-CD2 4.22Å; K117-W140 HydrophobicContact CD-CG 4.4Å; K117-W140 VanDerWaalsContact CE-NE1 3.25Å; K117-W140 HydrophobicContact CG-CD2 4.14Å; K117-W140 HydrophobicContact CG-CE3 4.4Å; K117-W140 HydrophobicContact CG-CH2 4.24Å; K117-W140 HydrophobicContact CG-CZ2 3.91Å; K117-W140 HydrophobicContact CG-CZ3 4.46Å; L120-W140 HydrophobicContact CB-CH2 4.29Å; L120-W140 HydrophobicContact CD2-CH2 3.93Å; L120-W140 HydrophobicContact CD2-CZ3 4.43Å; L120-W140 HydrophobicContact CG-CH2 4.09Å; E121-W140 HydrophobicContact CB-CZ2 3.91Å; E121-W140 HydrophobicContact CG-CZ2 4.39Å; E121-W140 PolarHBondContact OE2-NE1 3.2Å; I136-W140 PolarHBondContact O-N 2.75Å; I136-W140 VanDerWaalsContact O-N 3.11Å; K137-W140 PolarHBondContact O-N 2.9Å; N138-W140 VanDerWaalsContact C-N 3.35Å; N138-W140 PolarHBondContact O-N 2.9Å; W140-P144 WeakPolarHBondContact O-CA 3.5Å; W140-V151 HydrophobicContact CE3-CG2 4.38Å; W140-V151 HydrophobicContact CZ3-CG1 4.24Å; W140-V151 HydrophobicContact CZ3-CG2 3.85Å |
| 141 | A | 92 | Very high | 92.6 | Very high | 81 Ų | 81 | 69.7 Ų | 69.7 | 67% | 0.669 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.8 | -40.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K137 N138 M139 | K137-A141 PolarHBondContact O-N 3.08Å; K137-A141 VanDerWaalsContact O-N 3.08Å; N138-A141 WeakPolarHBondContact O-CB 3.5Å; N138-A141 PolarHBondContact O-N 3.03Å; M139-A141 VanDerWaalsContact C-N 3.33Å; M139-A141 PolarHBondContact O-N 2.8Å |
| 142 | A | 88.8 | Confident | 92.8 | Very high | 60 Ų | 60 | 69.5 Ų | 69.5 | 50% | 0.496 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74.3 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | N138 M139 P144 | N138-A142 PolarHBondContact O-N 3.08Å; M139-A142 PolarHBondContact O-N 3.14Å; A142-P144 VanDerWaalsContact C-CD 3.49Å; A142-P144 VanDerWaalsContact O-CD 3.28Å; A142-P144 WeakPolarHBondContact O-CD 3.41Å |
| 143 | F | 92.3 | Very high | 92.8 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -122.2 | 72.9 | -175.3 | -53.4 | -76.8 | 0 | 0 | 0 | 110.7 | M139 I156 V159 | M139-F143 HydrophobicContact CG-CD2 4.32Å; M139-F143 WeakPolarHBondContact O-CD2 3.18Å; M139-F143 PolarHBondContact O-N 3.19Å; F143-I156 HydrophobicContact CB-CD1 4.22Å; F143-I156 HydrophobicContact CB-CG1 4.06Å; F143-I156 HydrophobicContact CD1-CB 4.49Å; F143-I156 HydrophobicContact CD1-CG1 3.54Å; F143-I156 HydrophobicContact CD2-CD1 4.48Å; F143-I156 HydrophobicContact CD2-CG1 3.97Å; F143-I156 HydrophobicContact CE1-CB 4.38Å; F143-I156 HydrophobicContact CE1-CG1 3.9Å; F143-I156 HydrophobicContact CE2-CG1 4.3Å; F143-I156 HydrophobicContact CG-CD1 4.19Å; F143-I156 HydrophobicContact CG-CG1 3.58Å; F143-I156 HydrophobicContact CZ-CG1 4.26Å; F143-V159 HydrophobicContact CE1-CB 3.89Å; F143-V159 HydrophobicContact CE1-CG1 4.11Å; F143-V159 HydrophobicContact CE1-CG2 4Å; F143-V159 HydrophobicContact CZ-CB 3.92Å; F143-V159 HydrophobicContact CZ-CG1 3.78Å; F143-V159 HydrophobicContact CZ-CG2 4.49Å |
| 144 | P | 92.4 | Very high | 92.8 | Very high | 94 Ų | 94 | 66.1 Ų | 66.1 | 61% | 0.61 | 38% | 0.379 | S | S | * | . | trans | -64.6 | 137.2 | -177.8 | 26.5 | -34.1 | 0 | 0 | 0 | 110.9 | W140 A142 | W140-P144 WeakPolarHBondContact O-CA 3.5Å; A142-P144 VanDerWaalsContact C-CD 3.49Å; A142-P144 VanDerWaalsContact O-CD 3.28Å; A142-P144 WeakPolarHBondContact O-CD 3.41Å | ||
| 145 | P | 93.9 | Very high | 92.7 | Very high | 44 Ų | 44 | 63.1 Ų | 63.1 | 29% | 0.286 | 37% | 0.367 | S | S | . | . | trans | -69.7 | 157.8 | 174.8 | 32.3 | -38.2 | 0 | 0 | 0 | 111.6 | K117 N150 V151 | K117-P145 HydrophobicContact CB-CB 4.35Å; K117-P145 HydrophobicContact CD-CG 3.96Å; P145-N150 CarbonylContact C-O 3.44Å; P145-N150 WeakPolarHBondContact CA-O 3.47Å; P145-N150 WeakPolarHBondContact CB-O 3.39Å; P145-V151 HydrophobicContact CB-CG2 4Å | ||
| 146 | D | 93.5 | Very high | 92.7 | Very high | 81 Ų | 81 | 58.9 Ų | 58.9 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | trans | -68.4 | 177.2 | 170.6 | 75 | 11.5 | 0 | 0 | 0 | 112.5 | G148 G149 N150 | D146-G148 PolarHBondContact O-N 3.41Å; D146-G148 VanDerWaalsContact O-N 3.14Å; D146-G148 WeakPolarHBondContact OD1-CA 3.31Å; D146-G148 PolarHBondContact OD1-N 2.82Å; D146-G149 PolarHBondContact O-N 3.24Å; D146-G149 PolarHBondContact OD1-N 3.4Å; D146-N150 PolarHBondContact N-O 3.05Å; D146-N150 PolarHBondContact OD1-N 3.11Å; D146-N150 PolarHBondContact OD1-ND2 3.33Å; D146-N150 VanDerWaalsContact OD1-ND2 3.12Å; D146-N150 WeakPolarHBondContact OD2-CB 3.48Å; D146-N150 PolarHBondContact OD2-ND2 2.9Å | ||
| 147 | V | 92.3 | Very high | 92.5 | Very high | 163 Ų | 163 | 58.4 Ų | 58.4 | 99% | 0.988 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.4 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | G149 | V147-G149 VanDerWaalsContact C-N 3.32Š|
| 148 | G | 92.5 | Very high | 92.2 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K116 D146 N150 | K116-G148 PolarHBondContact NZ-O 3.4Å; D146-G148 PolarHBondContact O-N 3.41Å; D146-G148 VanDerWaalsContact O-N 3.14Å; D146-G148 WeakPolarHBondContact OD1-CA 3.31Å; D146-G148 PolarHBondContact OD1-N 2.82Å; G148-N150 VanDerWaalsContact C-N 3.33Å |
| 149 | G | 94.3 | Very high | 92 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 73.4 | 21 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | K117 D146 V147 | K117-G149 PolarHBondContact N-O 3.43Å; D146-G149 PolarHBondContact O-N 3.24Å; D146-G149 PolarHBondContact OD1-N 3.4Å; V147-G149 VanDerWaalsContact C-N 3.32Å |
| 150 | N | 94.8 | Very high | 91.6 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 146 | 174.2 | -43.6 | -71.1 | 0 | 0 | 0 | 110.6 | I115 K116 P145 D146 G148 | I115-N150 CarbonylContact O-C 3.55Å; I115-N150 WeakPolarHBondContact O-CA 3.43Å; K116-N150 VanDerWaalsContact CD-OD1 3.28Å; K116-N150 WeakPolarHBondContact CD-OD1 3.29Å; K116-N150 WeakPolarHBondContact CE-OD1 3.5Å; K116-N150 PolarHBondContact NZ-OD1 3.34Å; P145-N150 CarbonylContact C-O 3.44Å; P145-N150 WeakPolarHBondContact CA-O 3.47Å; P145-N150 WeakPolarHBondContact CB-O 3.39Å; D146-N150 PolarHBondContact N-O 3.05Å; D146-N150 PolarHBondContact OD1-N 3.11Å; D146-N150 PolarHBondContact OD1-ND2 3.33Å; D146-N150 VanDerWaalsContact OD1-ND2 3.12Å; D146-N150 WeakPolarHBondContact OD2-CB 3.48Å; D146-N150 PolarHBondContact OD2-ND2 2.9Å; G148-N150 VanDerWaalsContact C-N 3.33Å |
| 151 | V | 94.8 | Very high | 91 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.8 | 178.1 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | T114 I115 K117 W140 P145 Y153 I156 | T114-V151 CarbonylContact C-O 3.52Å; T114-V151 WeakPolarHBondContact CA-O 3.42Å; I115-V151 PolarHBondContact N-O 3.47Å; I115-V151 PolarHBondContact O-N 2.88Å; K117-V151 HydrophobicContact CB-CG2 3.89Å; W140-V151 HydrophobicContact CE3-CG2 4.38Å; W140-V151 HydrophobicContact CZ3-CG1 4.24Å; W140-V151 HydrophobicContact CZ3-CG2 3.85Å; P145-V151 HydrophobicContact CB-CG2 4Å; V151-Y153 PolarHBondContact O-N 3.48Å; V151-I156 HydrophobicContact CG1-CD1 3.59Å |
| 152 | D | 94.8 | Very high | 90.5 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 102.8 | 172.1 | -177.2 | -7.7 | 0 | 0 | 0 | 109.6 | K154 N155 I156 | D152-K154 VanDerWaalsContact C-N 3.31Å; D152-K154 WeakPolarHBondContact OD1-CA 3.4Å; D152-K154 VanDerWaalsContact OD1-CB 3.31Å; D152-K154 WeakPolarHBondContact OD1-CB 3.35Å; D152-K154 PolarHBondContact OD1-N 3.31Å; D152-N155 HydrophobicContact CB-CB 4.26Å; D152-N155 PolarHBondContact OD1-N 3.5Å; D152-I156 PolarHBondContact O-N 2.95Å |
| 153 | Y | 93.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -77.8 | -18.4 | -179.8 | 69.2 | -100.7 | 0 | 0 | 0 | 112.4 | T101 F104 D108 G113 I115 V151 N155 I156 C157 | T101-Y153 HydrophobicContact CG2-CE2 4.4Å; F104-Y153 HydrophobicContact CB-CD1 4.46Å; F104-Y153 HydrophobicContact CB-CD2 3.32Å; F104-Y153 HydrophobicContact CB-CE2 3.64Å; F104-Y153 HydrophobicContact CB-CG 3.79Å; F104-Y153 HydrophobicContact CD1-CD2 4.39Å; F104-Y153 HydrophobicContact CD1-CG 4.11Å; F104-Y153 HydrophobicContact CD2-CD2 4.28Å; F104-Y153 AromaticContact CG-CD2 3.78Å; F104-Y153 HydrophobicContact CG-CD2 3.78Å; F104-Y153 AromaticContact CG-CG 3.96Å; F104-Y153 HydrophobicContact CG-CG 3.96Å; D108-Y153 HydrophobicContact CB-CE1 4.02Å; G113-Y153 VanDerWaalsContact C-CD1 3.48Å; G113-Y153 WeakPolarHBondContact O-CD1 3.27Å; G113-Y153 WeakPolarHBondContact O-CE1 3.41Å; I115-Y153 HydrophobicContact CD1-CD1 3.59Å; I115-Y153 HydrophobicContact CD1-CE1 4.14Å; I115-Y153 HydrophobicContact CD1-CG 4.09Å; I115-Y153 HydrophobicContact CG1-CD1 3.74Å; I115-Y153 HydrophobicContact CG1-CE1 4.15Å; V151-Y153 PolarHBondContact O-N 3.48Å; Y153-N155 VanDerWaalsContact C-N 3.33Å; Y153-I156 WeakPolarHBondContact O-CB 3.24Å; Y153-I156 PolarHBondContact O-N 3.36Å; Y153-C157 PolarHBondContact O-N 3.26Å; Y153-C157 PolarHBondContact O-SG 3.27Å |
| 154 | K | 91.8 | Very high | 88.7 | Confident | 109 Ų | 109 | 59.2 Ų | 59.2 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 175.1 | -61.8 | 177.2 | 179.2 | 171 | 0 | 109.6 | D152 I156 C157 Y158 | D152-K154 VanDerWaalsContact C-N 3.31Å; D152-K154 WeakPolarHBondContact OD1-CA 3.4Å; D152-K154 VanDerWaalsContact OD1-CB 3.31Å; D152-K154 WeakPolarHBondContact OD1-CB 3.35Å; D152-K154 PolarHBondContact OD1-N 3.31Å; K154-I156 VanDerWaalsContact C-N 3.3Å; K154-I156 PolarHBondContact O-N 3.38Å; K154-C157 PolarHBondContact O-N 2.9Å; K154-Y158 WeakPolarHBondContact O-CB 3.17Å; K154-Y158 PolarHBondContact O-N 3.23Å |
| 155 | N | 91 | Very high | 86.9 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 172.8 | -172.5 | 47.4 | 0 | 0 | 0 | 112 | D152 Y153 Y158 V159 | D152-N155 HydrophobicContact CB-CB 4.26Å; D152-N155 PolarHBondContact OD1-N 3.5Å; Y153-N155 VanDerWaalsContact C-N 3.33Å; N155-Y158 PolarHBondContact O-N 2.96Å; N155-V159 WeakPolarHBondContact O-CB 3.4Å; N155-V159 WeakPolarHBondContact O-CG2 3.34Å; N155-V159 PolarHBondContact O-N 3.44Å |
| 156 | I | 91 | Very high | 84.8 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 173.7 | -65.9 | 171.6 | 0 | 0 | 0 | 110.9 | F104 M139 F143 V151 D152 Y153 K154 Y158 V159 I160 | F104-I156 HydrophobicContact CZ-CG2 4.45Å; M139-I156 HydrophobicContact CE-CD1 3.85Å; F143-I156 HydrophobicContact CB-CD1 4.22Å; F143-I156 HydrophobicContact CB-CG1 4.06Å; F143-I156 HydrophobicContact CD1-CB 4.49Å; F143-I156 HydrophobicContact CD1-CG1 3.54Å; F143-I156 HydrophobicContact CD2-CD1 4.48Å; F143-I156 HydrophobicContact CD2-CG1 3.97Å; F143-I156 HydrophobicContact CE1-CB 4.38Å; F143-I156 HydrophobicContact CE1-CG1 3.9Å; F143-I156 HydrophobicContact CE2-CG1 4.3Å; F143-I156 HydrophobicContact CG-CD1 4.19Å; F143-I156 HydrophobicContact CG-CG1 3.58Å; F143-I156 HydrophobicContact CZ-CG1 4.26Å; V151-I156 HydrophobicContact CG1-CD1 3.59Å; D152-I156 PolarHBondContact O-N 2.95Å; Y153-I156 WeakPolarHBondContact O-CB 3.24Å; Y153-I156 PolarHBondContact O-N 3.36Å; K154-I156 VanDerWaalsContact C-N 3.3Å; K154-I156 PolarHBondContact O-N 3.38Å; I156-Y158 VanDerWaalsContact C-N 3.33Å; I156-Y158 PolarHBondContact O-N 3.15Å; I156-V159 PolarHBondContact O-N 3.29Å; I156-I160 HydrophobicContact CG2-CD1 3.52Å; I156-I160 HydrophobicContact CG2-CG1 4.29Å; I156-I160 WeakPolarHBondContact O-CB 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.3Å; I156-I160 PolarHBondContact O-N 3.08Å |
| 157 | C | 89.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 179.7 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | E97 I100 F104 Y153 K154 T161 | E97-C157 HydrophobicContact CG-CB 4.01Å; I100-C157 HydrophobicContact CG2-CB 4.39Å; F104-C157 VanDerWaalsContact CD2-SG 3.54Å; Y153-C157 PolarHBondContact O-N 3.26Å; Y153-C157 PolarHBondContact O-SG 3.27Å; K154-C157 PolarHBondContact O-N 2.9Å; C157-T161 WeakPolarHBondContact O-CG2 3.41Å; C157-T161 PolarHBondContact O-N 3.31Å; C157-T161 PolarHBondContact O-OG1 3.06Å |
| 158 | Y | 87.6 | Confident | 79.8 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -51.5 | 177.6 | -177.1 | -92.1 | 0 | 0 | 0 | 111.5 | K154 N155 I156 I160 T161 H162 | K154-Y158 WeakPolarHBondContact O-CB 3.17Å; K154-Y158 PolarHBondContact O-N 3.23Å; N155-Y158 PolarHBondContact O-N 2.96Å; I156-Y158 VanDerWaalsContact C-N 3.33Å; I156-Y158 PolarHBondContact O-N 3.15Å; Y158-I160 VanDerWaalsContact C-N 3.33Å; Y158-I160 PolarHBondContact O-N 3.35Å; Y158-T161 PolarHBondContact O-N 2.89Å; Y158-T161 VanDerWaalsContact O-N 3.09Å; Y158-T161 PolarHBondContact O-OG1 2.7Å; Y158-T161 VanDerWaalsContact O-OG1 3.07Å; Y158-H162 HydrophobicContact CD1-CB 4.35Å; Y158-H162 AromaticContact CD2-ND1 3.69Å; Y158-H162 HydrophobicContact CE1-CB 3.98Å; Y158-H162 HydrophobicContact CE2-CB 4.2Å; Y158-H162 AromaticContact CE2-CG 3.77Å; Y158-H162 AromaticContact CE2-ND1 3.83Å; Y158-H162 AromaticContact CZ-CG 3.98Å; Y158-H162 WeakPolarHBondContact O-CB 3.43Å; Y158-H162 PolarHBondContact O-N 2.64Å; Y158-H162 PolarHBondContact O-ND1 3.04Å |
| 159 | V | 86.6 | Confident | 76.8 | Confident | 27 Ų | 27 | 77 Ų | 77 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | -178.3 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | F143 N155 I156 T161 G163 D164 | F143-V159 HydrophobicContact CE1-CB 3.89Å; F143-V159 HydrophobicContact CE1-CG1 4.11Å; F143-V159 HydrophobicContact CE1-CG2 4Å; F143-V159 HydrophobicContact CZ-CB 3.92Å; F143-V159 HydrophobicContact CZ-CG1 3.78Å; F143-V159 HydrophobicContact CZ-CG2 4.49Å; N155-V159 WeakPolarHBondContact O-CB 3.4Å; N155-V159 WeakPolarHBondContact O-CG2 3.34Å; N155-V159 PolarHBondContact O-N 3.44Å; I156-V159 PolarHBondContact O-N 3.29Å; V159-T161 PolarHBondContact O-N 2.72Å; V159-G163 CarbonylContact O-C 3.55Å; V159-G163 WeakPolarHBondContact O-CA 3.24Å; V159-G163 PolarHBondContact O-N 3.02Å; V159-D164 HydrophobicContact CG1-CB 4.32Å |
| 160 | I | 83.3 | Confident | 75.9 | Confident | 90 Ų | 90 | 79.5 Ų | 79.5 | 46% | 0.462 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.8 | -32.7 | 175.7 | -70.8 | 170.2 | 0 | 0 | 0 | 111.7 | I100 I156 Y158 | I100-I160 HydrophobicContact CD1-CG2 3.94Å; I156-I160 HydrophobicContact CG2-CD1 3.52Å; I156-I160 HydrophobicContact CG2-CG1 4.29Å; I156-I160 WeakPolarHBondContact O-CB 3.29Å; I156-I160 WeakPolarHBondContact O-CG1 3.3Å; I156-I160 PolarHBondContact O-N 3.08Å; Y158-I160 VanDerWaalsContact C-N 3.33Å; Y158-I160 PolarHBondContact O-N 3.35Å |
| 161 | T | 80.8 | Confident | 74.9 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 22% | 0.221 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -98.5 | -24.3 | -173.3 | 50.3 | 0 | 0 | 0 | 0 | 114.1 | E97 I100 C157 Y158 V159 | E97-T161 HydrophobicContact CB-CG2 3.82Å; E97-T161 HydrophobicContact CG-CG2 4.22Å; I100-T161 HydrophobicContact CD1-CG2 3.94Å; C157-T161 WeakPolarHBondContact O-CG2 3.41Å; C157-T161 PolarHBondContact O-N 3.31Å; C157-T161 PolarHBondContact O-OG1 3.06Å; Y158-T161 PolarHBondContact O-N 2.89Å; Y158-T161 VanDerWaalsContact O-N 3.09Å; Y158-T161 PolarHBondContact O-OG1 2.7Å; Y158-T161 VanDerWaalsContact O-OG1 3.07Å; V159-T161 PolarHBondContact O-N 2.72Å |
| 162 | H | 80.3 | Confident | 73.8 | Confident | 108 Ų | 108 | 86.2 Ų | 86.2 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -120.4 | -9.2 | -175.1 | -60.7 | 77.8 | 0 | 0 | 0 | 113.6 | E97 Y158 | E97-H162 IonicContact OE2-CE1 3.79Å; E97-H162 PolarHBondContact OE2-CE1 3.44Å; E97-H162 IonicContact OE2-ND1 2.93Å; Y158-H162 HydrophobicContact CD1-CB 4.35Å; Y158-H162 AromaticContact CD2-ND1 3.69Å; Y158-H162 HydrophobicContact CE1-CB 3.98Å; Y158-H162 HydrophobicContact CE2-CB 4.2Å; Y158-H162 AromaticContact CE2-CG 3.77Å; Y158-H162 AromaticContact CE2-ND1 3.83Å; Y158-H162 AromaticContact CZ-CG 3.98Å; Y158-H162 WeakPolarHBondContact O-CB 3.43Å; Y158-H162 PolarHBondContact O-N 2.64Å; Y158-H162 PolarHBondContact O-ND1 3.04Å |
| 163 | G | 73.1 | Confident | 72.6 | Confident | 37 Ų | 37 | 86.6 Ų | 86.6 | 38% | 0.381 | 44% | 0.439 | S | S | . | . | trans | 85.6 | 171.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V159 | V159-G163 CarbonylContact O-C 3.55Å; V159-G163 WeakPolarHBondContact O-CA 3.24Å; V159-G163 PolarHBondContact O-N 3.02Å | ||
| 164 | D | 70.1 | Confident | 71.3 | Confident | 72 Ų | 72 | 91.9 Ų | 91.9 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | trans | -76.3 | 127.2 | 175.9 | -167.3 | -9 | 0 | 0 | 0 | 109.6 | V159 K166 D167 | V159-D164 HydrophobicContact CG1-CB 4.32Å; D164-K166 PolarHBondContact O-N 3.15Å; D164-K166 VanDerWaalsContact O-N 3.11Å; D164-K166 PolarHBondContact OD1-N 3.2Å; D164-D167 PolarHBondContact O-N 3.43Å | ||
| 165 | A | 55.1 | Low | 69.9 | Low | 64 Ų | 64 | 90.7 Ų | 90.7 | 53% | 0.529 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -63.3 | -16.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D167 Q168 | A165-D167 PolarHBondContact O-N 3.09Å; A165-Q168 PolarHBondContact O-N 2.73Å |
| 166 | K | 50 | Low | 68.4 | Low | 165 Ų | 165 | 91.8 Ų | 91.8 | 72% | 0.717 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -71.1 | -13.9 | 177.9 | -68.7 | 179 | -176.1 | 167 | 0 | 114.7 | D164 Q168 | D164-K166 PolarHBondContact O-N 3.15Å; D164-K166 VanDerWaalsContact O-N 3.11Å; D164-K166 PolarHBondContact OD1-N 3.2Å; K166-Q168 PolarHBondContact O-N 3.41Å |
| 167 | D | 44.5 | Very low | 66.7 | Low | 143 Ų | 143 | 98.5 Ų | 98.5 | 77% | 0.765 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -84.1 | 3.7 | 175.8 | -68 | -29.1 | 0 | 0 | 0 | 112.8 | D164 A165 | D164-D167 PolarHBondContact O-N 3.43Å; A165-D167 PolarHBondContact O-N 3.09Å |
| 168 | Q | 35.6 | Very low | 64.8 | Low | 171 Ų | 171 | 106.8 Ų | 106.8 | 80% | 0.799 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -101.8 | 8.7 | 179.9 | -62.6 | -170.9 | 16 | 0 | 0 | 114.8 | A165 K166 | A165-Q168 PolarHBondContact O-N 2.73Å; K166-Q168 PolarHBondContact O-N 3.41Å |
| 169 | E | 30.2 | Very low | 62.7 | Low | 255 Ų | 255 | 106.2 Ų | 106.2 | 100% | 1.192 | 56% | 0.556 | S | S | * | * | trans | -114 | 0 | 178.2 | -129.1 | -178.7 | 130.8 | 0 | 0 | 113.7 |
Retrieved 169 of 169 residues in 601.3 ms
(Link to these results)