| 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 | 44.5 | Very low | 54.8 | Low | 237 Ų | 237 | 147.3 Ų | 147.3 | 100% | 1.167 | 82% | 0.823 | S | S | * | * | 0 | 97.8 | 0 | -121.5 | 161.6 | 174.6 | 0 | 0 | 104.3 | |||||
| 2 | C | 56.5 | Low | 55.6 | Low | 107 Ų | 107 | 150 Ų | 150 | 72% | 0.723 | 82% | 0.824 | S | S | * | * | 56.7 | 110.9 | 90 | -86.3 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 3 | D | 51.9 | Low | 56.3 | Low | 139 Ų | 139 | 143.9 Ų | 143.9 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | cis | -161.7 | 136.3 | 41 | -56.7 | -54.8 | 0 | 0 | 0 | 108 | ||||
| 4 | E | 53 | Low | 57 | Low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 46.2 | 92.9 | 79.9 | -163.1 | 167.4 | -171.6 | 0 | 0 | 115.3 | |||||
| 5 | Y | 54.9 | Low | 57.6 | Low | 234 Ų | 234 | 145.9 Ų | 145.9 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | trans | -160.5 | 110.7 | 148.8 | -107.8 | -85.3 | 0 | 0 | 0 | 104.7 | ||||
| 6 | G | 49.6 | Very low | 58.2 | Low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | 92 | 72.6 | 32.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 7 | G | 54.5 | Low | 58.7 | Low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -172.6 | 49.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D9 | G7-D9 PolarHBondContact O-N 2.64Å; G7-D9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | A | 59.9 | Low | 58.9 | Low | 86 Ų | 86 | 146.5 Ų | 146.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -74.7 | 85.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | D10 | A8-D10 PolarHBondContact O-N 3.01Š| ||
| 9 | D | 60.3 | Low | 59.5 | Low | 157 Ų | 157 | 146.7 Ų | 146.7 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -65.7 | 100.6 | 159.8 | -95.6 | -31.8 | 0 | 0 | 0 | 104.9 | G7 F11 | G7-D9 PolarHBondContact O-N 2.64Å; G7-D9 VanDerWaalsContact O-N 3.13Å; D9-F11 PolarHBondContact O-N 3.09Å | ||
| 10 | D | 58.8 | Low | 59.8 | Low | 150 Ų | 150 | 148.7 Ų | 148.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -56.6 | 77.5 | 161.2 | -66.9 | -45.6 | 0 | 0 | 0 | 107.2 | A8 E12 | A8-D10 PolarHBondContact O-N 3.01Å; D10-E12 PolarHBondContact O-N 3.27Å | ||
| 11 | F | 58.8 | Low | 59.9 | Low | 181 Ų | 181 | 147.8 Ų | 147.8 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 84.8 | 163 | -164.8 | -96.5 | 0 | 0 | 0 | 105.2 | D9 S13 | D9-F11 PolarHBondContact O-N 3.09Å; F11-S13 PolarHBondContact O-N 2.67Å | ||
| 12 | E | 64.8 | Low | 60.6 | Low | 180 Ų | 180 | 141.1 Ų | 141.1 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -57.3 | 83.2 | 163.3 | -137.4 | 165.9 | -160.8 | 0 | 0 | 105.7 | D10 D14 | D10-E12 PolarHBondContact O-N 3.27Å; E12-D14 PolarHBondContact O-N 2.69Å | ||
| 13 | S | 64.7 | Low | 60.8 | Low | 71 Ų | 71 | 145.1 Ų | 145.1 | 50% | 0.497 | 78% | 0.784 | S | S | . | * | trans | -65 | 97.5 | 165 | 175.9 | 0 | 0 | 0 | 0 | 104.2 | F11 E15 | F11-S13 PolarHBondContact O-N 2.67Å; S13-E15 PolarHBondContact O-N 2.89Å | ||
| 14 | D | 65.7 | Low | 60.9 | Low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -54.3 | 86.3 | 153.5 | -94.9 | -33.9 | 0 | 0 | 0 | 105.5 | E12 E16 | E12-D14 PolarHBondContact O-N 2.69Å; D14-E16 PolarHBondContact O-N 2.89Å | ||
| 15 | E | 65.8 | Low | 60.8 | Low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -64.7 | 85.8 | 163.9 | -78 | -169.3 | 159.2 | 0 | 0 | 104.9 | S13 | S13-E15 PolarHBondContact O-N 2.89Š| ||
| 16 | E | 68.3 | Low | 60.8 | Low | 163 Ų | 163 | 140.7 Ų | 140.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -54.4 | 127.2 | 167.5 | -68.6 | -138.2 | 166.3 | 0 | 0 | 106.9 | D14 L18 | D14-E16 PolarHBondContact O-N 2.89Å; E16-L18 PolarHBondContact O-N 2.9Å | ||
| 17 | P | 65.8 | Low | 61 | Low | 118 Ų | 118 | 144.7 Ų | 144.7 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -56 | 119.7 | 179.1 | 22.5 | -31.2 | 0 | 0 | 0 | 107.3 | D19 | P17-D19 VanDerWaalsContact C-N 3.33Å; P17-D19 PolarHBondContact O-N 2.84Å | ||
| 18 | L | 63 | Low | 60.7 | Low | 167 Ų | 167 | 146.4 Ų | 146.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -57.6 | 105.3 | 167.6 | -69.4 | 170.1 | 0 | 0 | 0 | 105.5 | E16 E20 | E16-L18 PolarHBondContact O-N 2.9Å; L18-E20 PolarHBondContact O-N 2.88Å | ||
| 19 | D | 69.5 | Low | 60.3 | Low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -47.6 | 121.4 | 170.4 | -97.6 | -27.3 | 0 | 0 | 0 | 106.3 | P17 V21 | P17-D19 VanDerWaalsContact C-N 3.33Å; P17-D19 PolarHBondContact O-N 2.84Å; D19-V21 VanDerWaalsContact C-N 3.26Å; D19-V21 PolarHBondContact O-N 2.68Å | ||
| 20 | E | 65.6 | Low | 59.8 | Low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -54.2 | 99 | 174 | -84.7 | 177.6 | 176.5 | 0 | 0 | 106.3 | L18 P22 | L18-E20 PolarHBondContact O-N 2.88Å; E20-P22 WeakPolarHBondContact O-CD 3.25Å | ||
| 21 | V | 62.5 | Low | 59.6 | Low | 129 Ų | 129 | 146.1 Ų | 146.1 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | -57.8 | 117.2 | 170.9 | -125.9 | 0 | 0 | 0 | 0 | 103.7 | D19 E23 | D19-V21 VanDerWaalsContact C-N 3.26Å; D19-V21 PolarHBondContact O-N 2.68Å; V21-E23 PolarHBondContact O-N 3.38Å | ||
| 22 | P | 57.9 | Low | 59.3 | Low | 97 Ų | 97 | 139.4 Ų | 139.4 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | trans | -50.3 | 135 | 177.4 | -26.6 | 35.2 | 0 | 0 | 0 | 107.4 | E20 E24 | E20-P22 WeakPolarHBondContact O-CD 3.25Å; P22-E24 HydrophobicContact CB-CG 4.22Å; P22-E24 PolarHBondContact O-N 2.88Å | ||
| 23 | E | 60.6 | Low | 58.9 | Low | 192 Ų | 192 | 132.8 Ų | 132.8 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | trans | -65.5 | 61 | 164.5 | -51.8 | -178.7 | -160.6 | 0 | 0 | 107 | V21 D25 | V21-E23 PolarHBondContact O-N 3.38Å; E23-D25 VanDerWaalsContact C-N 3.31Å; E23-D25 PolarHBondContact O-N 2.78Å | ||
| 24 | E | 54.2 | Low | 58.9 | Low | 160 Ų | 160 | 130.7 Ų | 130.7 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -62.7 | 103.3 | 170.1 | -91.8 | -174.1 | -179.4 | 0 | 0 | 104.8 | P22 L26 | P22-E24 HydrophobicContact CB-CG 4.22Å; P22-E24 PolarHBondContact O-N 2.88Å; E24-L26 PolarHBondContact O-N 2.92Å | ||
| 25 | D | 52 | Low | 59 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 66% | 0.663 | 67% | 0.671 | S | S | * | * | trans | -2 | 88.8 | 171.1 | -66.7 | -50.6 | 0 | 0 | 0 | 111.9 | E23 D27 T28 | E23-D25 VanDerWaalsContact C-N 3.31Å; E23-D25 PolarHBondContact O-N 2.78Å; D25-D27 PolarHBondContact O-N 2.73Å; D25-T28 PolarHBondContact O-N 2.81Å; D25-T28 PolarHBondContact O-OG1 3.42Å | ||
| 26 | L | 54.5 | Low | 58.9 | Low | 179 Ų | 179 | 119.2 Ų | 119.2 | 94% | 0.937 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -11.7 | 171.3 | -71.9 | 167.8 | 0 | 0 | 0 | 111.3 | E24 T28 | E24-L26 PolarHBondContact O-N 2.92Å; L26-T28 PolarHBondContact O-N 3.2Å |
| 27 | D | 53.8 | Low | 58.6 | Low | 157 Ų | 157 | 112.9 Ų | 112.9 | 84% | 0.84 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 6.3 | 169.4 | -105.1 | -12 | 0 | 0 | 0 | 114.7 | D25 K29 | D25-D27 PolarHBondContact O-N 2.73Å; D27-K29 PolarHBondContact O-N 2.88Å |
| 28 | T | 48.6 | Very low | 58.2 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 67% | 0.669 | 60% | 0.601 | S | S | * | * | trans | -65.1 | 85.2 | 167.7 | -50.2 | 0 | 0 | 0 | 0 | 108.6 | D25 L26 P30 | D25-T28 PolarHBondContact O-N 2.81Å; D25-T28 PolarHBondContact O-OG1 3.42Å; L26-T28 PolarHBondContact O-N 3.2Å; T28-P30 WeakPolarHBondContact O-CD 3.35Å; T28-P30 VanDerWaalsContact O-N 3.1Å | ||
| 29 | K | 51.6 | Low | 57.7 | Low | 112 Ų | 112 | 110.5 Ų | 110.5 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | trans | -51 | 118 | 173.6 | -170.5 | 174.3 | -176.9 | -179.7 | 0 | 106.4 | D27 E31 | D27-K29 PolarHBondContact O-N 2.88Å; K29-E31 PolarHBondContact O-N 2.86Å | ||
| 30 | P | 49.8 | Very low | 57 | Low | 100 Ų | 100 | 109.2 Ų | 109.2 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | trans | -63.9 | 100.5 | -179.2 | 23.8 | -32.2 | 0 | 0 | 0 | 108 | T28 G32 | T28-P30 WeakPolarHBondContact O-CD 3.35Å; T28-P30 VanDerWaalsContact O-N 3.1Å; P30-G32 PolarHBondContact O-N 3.04Å | ||
| 31 | E | 53.2 | Low | 56.3 | Low | 174 Ų | 174 | 104.6 Ų | 104.6 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -6.5 | -167.9 | -73.7 | -94.7 | 135.4 | 0 | 0 | 114.4 | K29 | K29-E31 PolarHBondContact O-N 2.86Š|
| 32 | G | 54.2 | Low | 55.7 | Low | 41 Ų | 41 | 101.5 Ų | 101.5 | 42% | 0.423 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.3 | -25 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | P30 F116 | P30-G32 PolarHBondContact O-N 3.04Å; G32-F116 PolarHBondContact O-N 2.73Å |
| 33 | V | 56.5 | Low | 55.3 | Low | 41 Ų | 41 | 107 Ų | 107 | 25% | 0.248 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -148.2 | 122 | -170.7 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | Y35 I113 R114 | V33-Y35 HydrophobicContact CG1-CE1 4.2Å; V33-Y35 HydrophobicContact CG1-CE2 4.34Å; V33-Y35 WeakPolarHBondContact CG1-OH 3.23Å; V33-I113 HydrophobicContact CG1-CG2 3.92Å; V33-R114 WeakPolarHBondContact CA-O 3.18Å |
| 34 | T | 63.6 | Low | 54.9 | Low | 26 Ų | 26 | 101.5 Ų | 101.5 | 16% | 0.16 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.3 | 170.2 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | R114 F116 | T34-R114 PolarHBondContact N-O 3.19Å; T34-R114 WeakPolarHBondContact O-CB 3.43Å; T34-R114 PolarHBondContact O-N 3.48Å; T34-R114 WeakPolarHBondContact OG1-CB 3.39Å; T34-F116 HydrophobicContact CG2-CE2 3.85Å; T34-F116 HydrophobicContact CG2-CZ 4.19Å; T34-F116 WeakPolarHBondContact OG1-CE2 3.34Å |
| 35 | Y | 67.3 | Low | 54.6 | Low | 66 Ų | 66 | 99.9 Ų | 99.9 | 26% | 0.259 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.2 | 172 | -57.8 | -76.7 | 0 | 0 | 0 | 109.4 | V33 R71 V72 I111 I113 | V33-Y35 HydrophobicContact CG1-CE1 4.2Å; V33-Y35 HydrophobicContact CG1-CE2 4.34Å; V33-Y35 WeakPolarHBondContact CG1-OH 3.23Å; Y35-R71 HydrophobicContact CE1-CB 4.23Å; Y35-R71 HydrophobicContact CE2-CB 3.64Å; Y35-R71 HydrophobicContact CE2-CG 4.15Å; Y35-R71 WeakPolarHBondContact OH-CB 2.93Å; Y35-V72 HydrophobicContact CD1-CG2 4.29Å; Y35-V72 HydrophobicContact CE1-CG2 3.81Å; Y35-I111 HydrophobicContact CD1-CG2 3.78Å; Y35-I111 HydrophobicContact CG-CG2 4.46Å; Y35-I113 HydrophobicContact CD1-CG1 4.37Å; Y35-I113 HydrophobicContact CE1-CG1 4.13Å |
| 36 | I | 63.9 | Low | 54.5 | Low | 11 Ų | 11 | 97.7 Ų | 97.7 | 6% | 0.056 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.1 | 173.1 | -59.3 | 165.5 | 0 | 0 | 0 | 105.5 | E40 P42 I112 R114 | I36-E40 WeakPolarHBondContact CG2-O 3.11Å; I36-P42 HydrophobicContact CD1-CB 3.89Å; I36-P42 HydrophobicContact CD1-CG 4.09Å; I36-I112 HydrophobicContact CB-CB 4.34Å; I36-I112 PolarHBondContact N-O 3.44Å; I36-I112 PolarHBondContact O-N 2.86Å; I36-R114 HydrophobicContact CD1-CB 4.33Å; I36-R114 VanDerWaalsContact CD1-NH2 3.28Å |
| 37 | T | 61.7 | Low | 54.5 | Low | 30 Ų | 30 | 95.8 Ų | 95.8 | 18% | 0.184 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 144.7 | 170.3 | 65.6 | 0 | 0 | 0 | 0 | 108 | D39 E40 | T37-D39 PolarHBondContact O-N 2.84Å; T37-E40 PolarHBondContact O-N 2.53Å; T37-E40 WeakPolarHBondContact OG1-CB 3.38Å; T37-E40 VanDerWaalsContact OG1-CD 3.28Å; T37-E40 VanDerWaalsContact OG1-CG 3.22Å; T37-E40 WeakPolarHBondContact OG1-CG 3.49Å; T37-E40 PolarHBondContact OG1-OE2 3.36Å |
| 38 | A | 57.3 | Low | 54.5 | Low | 75 Ų | 75 | 96.9 Ų | 96.9 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | P110 | A38-P110 HydrophobicContact CB-CB 4.2Å; A38-P110 PolarHBondContact N-O 2.92Å |
| 39 | D | 53.3 | Low | 54.9 | Low | 161 Ų | 161 | 94.5 Ų | 94.5 | 86% | 0.861 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -22.4 | -179.2 | -135.9 | 19.2 | 0 | 0 | 0 | 113.1 | T37 T41 | T37-D39 PolarHBondContact O-N 2.84Å; D39-T41 PolarHBondContact O-N 2.98Å |
| 40 | E | 55.2 | Low | 55.5 | Low | 122 Ų | 122 | 91.5 Ų | 91.5 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -87 | 101.4 | 176.2 | -70.9 | 173.4 | 140.5 | 0 | 0 | 109 | I36 T37 | I36-E40 WeakPolarHBondContact CG2-O 3.11Å; T37-E40 PolarHBondContact O-N 2.53Å; T37-E40 WeakPolarHBondContact OG1-CB 3.38Å; T37-E40 VanDerWaalsContact OG1-CD 3.28Å; T37-E40 VanDerWaalsContact OG1-CG 3.22Å; T37-E40 WeakPolarHBondContact OG1-CG 3.49Å; T37-E40 PolarHBondContact OG1-OE2 3.36Å |
| 41 | T | 50.2 | Low | 56.6 | Low | 90 Ų | 90 | 90.6 Ų | 90.6 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | trans | -51.6 | 144.8 | 163.1 | 55.8 | 0 | 0 | 0 | 0 | 109 | D39 R43 | D39-T41 PolarHBondContact O-N 2.98Å; T41-R43 PolarHBondContact O-N 2.93Å | ||
| 42 | P | 50.6 | Low | 57.7 | Low | 64 Ų | 64 | 85.5 Ų | 85.5 | 42% | 0.416 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -73.3 | 64 | -175.4 | -1.8 | 18.4 | 0 | 0 | 0 | 110.5 | I36 L44 | I36-P42 HydrophobicContact CD1-CB 3.89Å; I36-P42 HydrophobicContact CD1-CG 4.09Å; P42-L44 VanDerWaalsContact C-N 3.25Å; P42-L44 PolarHBondContact O-N 3.29Å |
| 43 | R | 49.3 | Very low | 59.1 | Low | 213 Ų | 213 | 85.2 Ų | 85.2 | 80% | 0.804 | 50% | 0.497 | S | S | * | . | trans | -95.9 | 59.6 | 170.6 | -62.6 | -174.9 | -173.3 | -135.2 | 2.1 | 107 | T41 S45 | T41-R43 PolarHBondContact O-N 2.93Å; R43-S45 PolarHBondContact O-N 2.74Å | ||
| 44 | L | 51.4 | Low | 60.5 | Low | 76 Ų | 76 | 88.4 Ų | 88.4 | 40% | 0.398 | 51% | 0.51 | S | S | . | . | trans | -63.1 | 101.5 | 154.2 | -103.6 | 91 | 0 | 0 | 0 | 105.5 | P42 G46 M49 | P42-L44 VanDerWaalsContact C-N 3.25Å; P42-L44 PolarHBondContact O-N 3.29Å; L44-G46 PolarHBondContact O-N 3.39Å; L44-M49 HydrophobicContact CB-CE 4.21Å | ||
| 45 | S | 49.1 | Very low | 61.4 | Low | 126 Ų | 126 | 93.6 Ų | 93.6 | 88% | 0.881 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | 117.3 | -178 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | R43 | R43-S45 PolarHBondContact O-N 2.74Š|
| 46 | G | 49.1 | Very low | 62.3 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 81% | 0.814 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.4 | -1.2 | 154 | 0 | 0 | 0 | 0 | 0 | 119.3 | L44 | L44-G46 PolarHBondContact O-N 3.39Š|
| 47 | Q | 55.5 | Low | 63.5 | Low | 138 Ų | 138 | 101.2 Ų | 101.2 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | trans | -109.5 | 127.7 | 171.9 | -77.8 | 174.5 | -31.1 | 0 | 0 | 110.1 | M49 | Q47-M49 HydrophobicContact CB-CG 4.19Å; Q47-M49 PolarHBondContact O-N 2.85Å | ||
| 48 | N | 53.3 | Low | 64.8 | Low | 180 Ų | 180 | 102 Ų | 102 | 96% | 0.963 | 58% | 0.577 | S | S | * | * | trans | -60.8 | 75.1 | 166.5 | -75.4 | -44.1 | 0 | 0 | 0 | 108.5 | ||||
| 49 | M | 56.1 | Low | 66.4 | Low | 60 Ų | 60 | 104.2 Ų | 104.2 | 30% | 0.296 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 136.5 | -178.4 | -80.6 | -153.8 | -72.1 | 0 | 0 | 108.9 | L44 Q47 R114 F122 | L44-M49 HydrophobicContact CB-CE 4.21Å; Q47-M49 HydrophobicContact CB-CG 4.19Å; Q47-M49 PolarHBondContact O-N 2.85Å; M49-R114 VanDerWaalsContact CE-NH1 3.29Å; M49-F122 HydrophobicContact CB-CE1 4.04Å; M49-F122 HydrophobicContact SD-CE1 4.13Å |
| 50 | A | 65.9 | Low | 68.3 | Low | 49 Ų | 49 | 98.2 Ų | 98.2 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 149.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F122 | A50-F122 WeakPolarHBondContact O-CE1 3.5Å; A50-F122 WeakPolarHBondContact O-CZ 3.3Å |
| 51 | A | 71.5 | Confident | 70.1 | Confident | 80 Ų | 80 | 96 Ų | 96 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 149.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V53 | A51-V53 PolarHBondContact O-N 2.89Š|
| 52 | P | 76.1 | Confident | 72.2 | Confident | 68 Ų | 68 | 94.6 Ų | 94.6 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 138.8 | 172.4 | 21.4 | -30.9 | 0 | 0 | 0 | 110 | E54 F122 | P52-E54 PolarHBondContact O-N 3.37Å; P52-F122 WeakPolarHBondContact CA-O 3.08Å; P52-F122 HydrophobicContact CB-CD2 4.14Å; P52-F122 HydrophobicContact CB-CE2 3.65Å; P52-F122 HydrophobicContact CB-CZ 4.45Å; P52-F122 HydrophobicContact CG-CE2 4.3Å |
| 53 | V | 84.7 | Confident | 74.4 | Confident | 35 Ų | 35 | 97.1 Ų | 97.1 | 21% | 0.212 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -58 | 133.6 | 174 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | A51 K57 L117 F122 E123 | A51-V53 PolarHBondContact O-N 2.89Å; V53-K57 HydrophobicContact CG1-CB 3.98Å; V53-L117 HydrophobicContact CG2-CD1 4.25Å; V53-F122 PolarHBondContact N-O 3.04Å; V53-E123 HydrophobicContact CB-CG 4.1Å; V53-E123 HydrophobicContact CG2-CG 4.41Å |
| 54 | E | 84.6 | Confident | 76.5 | Confident | 108 Ų | 108 | 87 Ų | 87 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 141.2 | 178.4 | -68.7 | 173.9 | 177.4 | 0 | 0 | 111.1 | P52 S56 K57 R58 | P52-E54 PolarHBondContact O-N 3.37Å; E54-S56 PolarHBondContact O-N 2.88Å; E54-K57 PolarHBondContact O-N 3.04Å; E54-K57 IonicContact OE1-NZ 3.8Å; E54-K57 VanDerWaalsContact OE2-CE 3.23Å; E54-K57 WeakPolarHBondContact OE2-CE 3.14Å; E54-K57 IonicContact OE2-NZ 2.73Å; E54-K57 PolarHBondContact OE2-NZ 3.25Å; E54-R58 PolarHBondContact O-N 2.7Å |
| 55 | K | 84.3 | Confident | 78.6 | Confident | 135 Ų | 135 | 85.7 Ų | 85.7 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -52.5 | -35 | -177.1 | -63.9 | -151 | 174 | -161.1 | 0 | 113.8 | K57 R58 E129 | K55-K57 VanDerWaalsContact C-N 3.31Å; K55-K57 PolarHBondContact O-N 3.48Å; K55-R58 VanDerWaalsContact CE-NH2 3.33Å; K55-E129 IonicContact NZ-OE2 3.86Å; K55-E129 PolarHBondContact NZ-OE2 3.11Å |
| 56 | S | 86 | Confident | 80.7 | Confident | 108 Ų | 108 | 86.6 Ų | 86.6 | 76% | 0.755 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -75.3 | -15.1 | -180 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | E54 | E54-S56 PolarHBondContact O-N 2.88Š|
| 57 | K | 87.7 | Confident | 82.8 | Confident | 128 Ų | 128 | 89.8 Ų | 89.8 | 56% | 0.557 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -112.2 | 8.9 | -177.5 | -62.5 | 178.4 | -177.7 | 147.8 | 0 | 112.8 | V53 E54 K55 | V53-K57 HydrophobicContact CG1-CB 3.98Å; E54-K57 PolarHBondContact O-N 3.04Å; E54-K57 IonicContact OE1-NZ 3.8Å; E54-K57 VanDerWaalsContact OE2-CE 3.23Å; E54-K57 WeakPolarHBondContact OE2-CE 3.14Å; E54-K57 IonicContact OE2-NZ 2.73Å; E54-K57 PolarHBondContact OE2-NZ 3.25Å; K55-K57 VanDerWaalsContact C-N 3.31Å; K55-K57 PolarHBondContact O-N 3.48Å |
| 58 | R | 90.6 | Very high | 84.6 | Confident | 46 Ų | 46 | 83.7 Ų | 83.7 | 17% | 0.174 | 45% | 0.446 | C | S | . | . | trans | -63.2 | 137.1 | 175.1 | -66.5 | 176.1 | -179 | 174.7 | -6 | 110.1 | E54 K55 E123 D124 W125 E129 | E54-R58 PolarHBondContact O-N 2.7Å; K55-R58 VanDerWaalsContact CE-NH2 3.33Å; R58-E123 VanDerWaalsContact CA-OE1 3.31Å; R58-E123 WeakPolarHBondContact CA-OE1 3.45Å; R58-E123 HydrophobicContact CB-CG 4.44Å; R58-E123 HydrophobicContact CG-CB 4.47Å; R58-E123 HydrophobicContact CG-CG 4.08Å; R58-D124 PolarHBondContact NH2-O 2.81Å; R58-W125 HydrophobicContact CB-CZ2 4.06Å; R58-W125 HydrophobicContact CG-CZ2 4.44Å; R58-E129 IonicContact CZ-OE1 3.78Å; R58-E129 IonicContact NH1-OE1 2.87Å; R58-E129 PolarHBondContact NH1-OE1 2.8Å; R58-E129 IonicContact NH1-OE2 3.84Å; R58-E129 IonicContact NH2-OE1 3.95Å; R58-E129 PolarHBondContact NH2-OE1 3.39Å | ||
| 59 | V | 91 | Very high | 86.5 | Confident | 123 Ų | 123 | 79.1 Ų | 79.1 | 75% | 0.745 | 42% | 0.416 | S | S | * | . | trans | -112.1 | -24.5 | -177.7 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | E123 | V59-E123 PolarHBondContact N-OE1 3.35Š| ||
| 60 | T | 92.5 | Very high | 88.3 | Confident | 34 Ų | 34 | 78.5 Ų | 78.5 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -69.7 | 158.1 | -180 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | R115 L117 E123 W125 | T60-R115 HydrophobicContact CG2-CB 4.33Å; T60-R115 VanDerWaalsContact OG1-CD 3.27Å; T60-R115 WeakPolarHBondContact OG1-CD 3.38Å; T60-R115 PolarHBondContact OG1-NH1 3.39Å; T60-L117 HydrophobicContact CG2-CD2 3.86Å; T60-E123 WeakPolarHBondContact CB-OE2 3.34Å; T60-E123 WeakPolarHBondContact CG2-OE2 3.39Å; T60-E123 PolarHBondContact N-OE1 3.06Å; T60-E123 PolarHBondContact N-OE2 2.64Å; T60-E123 PolarHBondContact OG1-OE2 2.79Å; T60-W125 PolarHBondContact OG1-NE1 2.64Å |
| 61 | T | 93.1 | Very high | 89.6 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 47% | 0.466 | 43% | 0.426 | S | S | . | . | trans | -68.9 | 140.7 | -171 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | Y63 R115 | T61-Y63 PolarHBondContact O-N 2.82Å; T61-R115 PolarHBondContact O-NH1 3Å | ||
| 62 | P | 94 | Very high | 90.7 | Very high | 60 Ų | 60 | 78.9 Ų | 78.9 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -73 | 11.9 | 176.7 | 33.4 | -37.9 | 0 | 0 | 0 | 113.8 | W125 I131 | P62-W125 HydrophobicContact CB-CH2 4.27Å; P62-W125 HydrophobicContact CB-CZ3 4.33Å; P62-I131 HydrophobicContact CB-CD1 4.39Å; P62-I131 HydrophobicContact CG-CD1 4.43Å; P62-I131 WeakPolarHBondContact O-CB 3.32Å; P62-I131 PolarHBondContact O-N 3.38Å |
| 63 | Y | 95.9 | Very high | 91.6 | Very high | 117 Ų | 117 | 76.3 Ų | 76.3 | 46% | 0.459 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 139.8 | 178.8 | -65 | -85.7 | 0 | 0 | 0 | 110.4 | T61 T65 R115 I131 T133 | T61-Y63 PolarHBondContact O-N 2.82Å; Y63-T65 PolarHBondContact O-N 3.18Å; Y63-R115 PolarHBondContact O-NH2 3.05Å; Y63-I131 CarbonylContact C-O 3.6Å; Y63-I131 WeakPolarHBondContact CA-O 3.28Å; Y63-I131 HydrophobicContact CD1-CB 3.69Å; Y63-I131 HydrophobicContact CD1-CD1 4.39Å; Y63-I131 HydrophobicContact CD1-CG2 3.66Å; Y63-I131 HydrophobicContact CE1-CB 3.96Å; Y63-I131 HydrophobicContact CE1-CD1 4.01Å; Y63-I131 HydrophobicContact CE1-CG2 3.62Å; Y63-I131 HydrophobicContact CG-CB 4.41Å; Y63-T133 HydrophobicContact CD1-CG2 3.77Å; Y63-T133 HydrophobicContact CG-CG2 4.35Å |
| 64 | L | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.2 | 166.8 | -174.8 | 69.5 | 0 | 0 | 0 | 108.3 | E68 R69 L104 I113 L127 L130 I131 L132 T133 | L64-E68 HydrophobicContact CD1-CB 3.5Å; L64-E68 HydrophobicContact CG-CB 4.28Å; L64-R69 HydrophobicContact CD2-CB 3.8Å; L64-R69 HydrophobicContact CD2-CG 4.38Å; L64-R69 HydrophobicContact CG-CB 4.2Å; L64-L104 HydrophobicContact CD2-CD1 4.38Å; L64-I113 HydrophobicContact CD1-CD1 3.36Å; L64-L127 HydrophobicContact CD1-CD1 3.77Å; L64-L127 HydrophobicContact CD2-CD1 3.98Å; L64-L127 HydrophobicContact CG-CD1 4.5Å; L64-L130 HydrophobicContact CB-CB 4.22Å; L64-L130 HydrophobicContact CD1-CD1 3.82Å; L64-I131 PolarHBondContact N-O 2.68Å; L64-L132 HydrophobicContact CB-CD2 4.21Å; L64-L132 HydrophobicContact CD2-CD2 3.41Å; L64-L132 VanDerWaalsContact CD2-CD2 3.41Å; L64-L132 HydrophobicContact CG-CD2 4.45Å; L64-T133 PolarHBondContact O-OG1 2.79Å |
| 65 | T | 93.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 72.8 Ų | 72.8 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 156.5 | 177.5 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | Y63 Y67 E68 R69 | Y63-T65 PolarHBondContact O-N 3.18Å; T65-Y67 PolarHBondContact O-N 3.17Å; T65-E68 WeakPolarHBondContact CB-OE2 3.4Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.41Å; T65-E68 PolarHBondContact N-OE2 2.86Å; T65-E68 PolarHBondContact O-N 2.91Å; T65-E68 WeakPolarHBondContact OG1-CB 3.27Å; T65-E68 WeakPolarHBondContact OG1-CG 3.41Å; T65-E68 PolarHBondContact OG1-N 2.84Å; T65-E68 PolarHBondContact OG1-OE2 3.11Å; T65-R69 WeakPolarHBondContact O-CB 3.39Å; T65-R69 PolarHBondContact O-N 2.67Å |
| 66 | K | 94 | Very high | 93 | Very high | 145 Ų | 145 | 66.6 Ų | 66.6 | 63% | 0.63 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57 | -31.6 | 174.5 | 68 | -179.4 | -176.6 | 178 | 0 | 113.4 | A70 | K66-A70 WeakPolarHBondContact O-CB 3.31Å; K66-A70 PolarHBondContact O-N 3.2Å; K66-A70 VanDerWaalsContact O-N 3.1Å |
| 67 | Y | 92.7 | Very high | 93.5 | Very high | 145 Ų | 145 | 62.1 Ų | 62.1 | 57% | 0.569 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -71.8 | -48.1 | 178.4 | -55.1 | -63.3 | 0 | 0 | 0 | 110.5 | T65 R69 A70 R71 | T65-Y67 PolarHBondContact O-N 3.17Å; Y67-R69 PolarHBondContact O-N 2.69Å; Y67-A70 PolarHBondContact O-N 2.78Å; Y67-R71 WeakPolarHBondContact O-CD 3.47Å; Y67-R71 PolarHBondContact O-N 3.2Å; Y67-R71 VanDerWaalsContact O-N 3.09Å |
| 68 | E | 93.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 175.5 | -70.7 | 162.9 | 155.1 | 0 | 0 | 111.2 | L64 T65 A70 R71 V72 I113 R115 | L64-E68 HydrophobicContact CD1-CB 3.5Å; L64-E68 HydrophobicContact CG-CB 4.28Å; T65-E68 WeakPolarHBondContact CB-OE2 3.4Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.41Å; T65-E68 PolarHBondContact N-OE2 2.86Å; T65-E68 PolarHBondContact O-N 2.91Å; T65-E68 WeakPolarHBondContact OG1-CB 3.27Å; T65-E68 WeakPolarHBondContact OG1-CG 3.41Å; T65-E68 PolarHBondContact OG1-N 2.84Å; T65-E68 PolarHBondContact OG1-OE2 3.11Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.01Å; E68-R71 PolarHBondContact O-N 2.72Å; E68-R71 VanDerWaalsContact O-N 3.13Å; E68-V72 WeakPolarHBondContact O-CB 3.46Å; E68-V72 VanDerWaalsContact O-CG2 3.3Å; E68-V72 WeakPolarHBondContact O-CG2 3.41Å; E68-V72 PolarHBondContact O-N 2.87Å; E68-I113 HydrophobicContact CB-CD1 4Å; E68-I113 HydrophobicContact CG-CD1 4.31Å; E68-I113 HydrophobicContact CG-CG2 4.18Å; E68-R115 IonicContact OE1-CZ 2.9Å; E68-R115 IonicContact OE1-NE 2.8Å; E68-R115 PolarHBondContact OE1-NE 3.47Å; E68-R115 IonicContact OE1-NH2 3.72Å; E68-R115 PolarHBondContact OE1-NH2 3.03Å; E68-R115 VanDerWaalsContact OE1-NH2 3.11Å; E68-R115 IonicContact OE2-CZ 3.6Å; E68-R115 IonicContact OE2-NE 3.2Å; E68-R115 IonicContact OE2-NH2 2.72Å; E68-R115 PolarHBondContact OE2-NH2 2.92Å |
| 69 | R | 93.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 61.2 Ų | 61.2 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.5 | -50.1 | 175.1 | 176.1 | 175.2 | 166.5 | 162 | -3.3 | 111.9 | L64 T65 Y67 R71 V72 L73 L104 | L64-R69 HydrophobicContact CD2-CB 3.8Å; L64-R69 HydrophobicContact CD2-CG 4.38Å; L64-R69 HydrophobicContact CG-CB 4.2Å; T65-R69 WeakPolarHBondContact O-CB 3.39Å; T65-R69 PolarHBondContact O-N 2.67Å; Y67-R69 PolarHBondContact O-N 2.69Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 3.31Å; R69-V72 PolarHBondContact O-N 3.04Å; R69-L73 HydrophobicContact CG-CD1 4.01Å; R69-L73 WeakPolarHBondContact O-CB 3.44Å; R69-L73 WeakPolarHBondContact O-CG 2.89Å; R69-L73 PolarHBondContact O-N 2.8Å; R69-L104 HydrophobicContact CG-CD2 3.96Å |
| 70 | A | 93.7 | Very high | 94.3 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | K66 Y67 E68 G74 | K66-A70 WeakPolarHBondContact O-CB 3.31Å; K66-A70 PolarHBondContact O-N 3.2Å; K66-A70 VanDerWaalsContact O-N 3.1Å; Y67-A70 PolarHBondContact O-N 2.78Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.01Å; A70-G74 PolarHBondContact O-N 2.65Å |
| 71 | R | 92.6 | Very high | 94.4 | Very high | 137 Ų | 137 | 58 Ų | 58 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -76.5 | -38 | -179.5 | -83.4 | 78 | -172.1 | 145.9 | 0.1 | 112.7 | Y35 Y67 E68 R69 L73 G74 A75 | Y35-R71 HydrophobicContact CE1-CB 4.23Å; Y35-R71 HydrophobicContact CE2-CB 3.64Å; Y35-R71 HydrophobicContact CE2-CG 4.15Å; Y35-R71 WeakPolarHBondContact OH-CB 2.93Å; Y67-R71 WeakPolarHBondContact O-CD 3.47Å; Y67-R71 PolarHBondContact O-N 3.2Å; Y67-R71 VanDerWaalsContact O-N 3.09Å; E68-R71 PolarHBondContact O-N 2.72Å; E68-R71 VanDerWaalsContact O-N 3.13Å; R69-R71 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 3.31Å; R71-L73 VanDerWaalsContact C-N 3.35Å; R71-G74 PolarHBondContact O-N 2.71Å; R71-A75 VanDerWaalsContact O-CB 3.27Å; R71-A75 WeakPolarHBondContact O-CB 3.41Å; R71-A75 PolarHBondContact O-N 3.01Å |
| 72 | V | 94 | Very high | 94.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 172.8 | 165.9 | 0 | 0 | 0 | 0 | 110.2 | Y35 E68 R69 R76 L104 I109 I113 L127 | Y35-V72 HydrophobicContact CD1-CG2 4.29Å; Y35-V72 HydrophobicContact CE1-CG2 3.81Å; E68-V72 WeakPolarHBondContact O-CB 3.46Å; E68-V72 VanDerWaalsContact O-CG2 3.3Å; E68-V72 WeakPolarHBondContact O-CG2 3.41Å; E68-V72 PolarHBondContact O-N 2.87Å; R69-V72 PolarHBondContact O-N 3.04Å; V72-R76 WeakPolarHBondContact O-CB 3.18Å; V72-R76 PolarHBondContact O-N 3.1Å; V72-L104 HydrophobicContact CG1-CD1 4.4Å; V72-I109 HydrophobicContact CG1-CD1 3.95Å; V72-I109 HydrophobicContact CG1-CG2 4.24Å; V72-I113 HydrophobicContact CG2-CD1 3.92Å; V72-I113 HydrophobicContact CG2-CG1 4.21Å; V72-L127 HydrophobicContact CG1-CD1 4.37Å; V72-L127 HydrophobicContact CG1-CD2 3.53Å; V72-L127 HydrophobicContact CG2-CD1 4.23Å |
| 73 | L | 95.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.1 | -71.8 | 173.9 | 0 | 0 | 0 | 111.6 | R69 R71 R76 A77 L97 A100 E101 L104 | R69-L73 HydrophobicContact CG-CD1 4.01Å; R69-L73 WeakPolarHBondContact O-CB 3.44Å; R69-L73 WeakPolarHBondContact O-CG 2.89Å; R69-L73 PolarHBondContact O-N 2.8Å; R71-L73 VanDerWaalsContact C-N 3.35Å; L73-R76 PolarHBondContact O-N 2.84Å; L73-A77 WeakPolarHBondContact O-CB 3.01Å; L73-A77 PolarHBondContact O-N 2.97Å; L73-L97 HydrophobicContact CB-CD1 4.24Å; L73-A100 HydrophobicContact CD2-CB 4.09Å; L73-E101 HydrophobicContact CD1-CG 4.21Å; L73-E101 HydrophobicContact CD2-CB 4.43Å; L73-E101 HydrophobicContact CD2-CG 3.91Å; L73-L104 HydrophobicContact CD1-CD2 4.21Å; L73-L104 HydrophobicContact CD2-CB 4.06Å; L73-L104 HydrophobicContact CD2-CD2 3.81Å; L73-L104 HydrophobicContact CG-CD2 4Å |
| 74 | G | 94.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A70 R71 R76 A77 L78 | A70-G74 PolarHBondContact O-N 2.65Å; R71-G74 PolarHBondContact O-N 2.71Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 3.37Å; G74-A77 PolarHBondContact O-N 3.13Å; G74-L78 WeakPolarHBondContact O-CB 3.42Å; G74-L78 PolarHBondContact O-N 3.09Å |
| 75 | A | 93.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 64 Ų | 64 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | R71 L78 Q79 | R71-A75 VanDerWaalsContact O-CB 3.27Å; R71-A75 WeakPolarHBondContact O-CB 3.41Å; R71-A75 PolarHBondContact O-N 3.01Å; A75-L78 PolarHBondContact O-N 2.88Å; A75-Q79 WeakPolarHBondContact O-CG 3.45Å; A75-Q79 PolarHBondContact O-N 2.81Å |
| 76 | R | 95.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.019 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 179.6 | -173.1 | 56.6 | 174.3 | 158.1 | 13.4 | 112.4 | V72 L73 G74 L78 Q79 L80 P85 A100 E103 I109 I111 | V72-R76 WeakPolarHBondContact O-CB 3.18Å; V72-R76 PolarHBondContact O-N 3.1Å; L73-R76 PolarHBondContact O-N 2.84Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 3.37Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 2.79Å; R76-Q79 PolarHBondContact O-N 3.32Å; R76-L80 HydrophobicContact CG-CD1 4.14Å; R76-L80 VanDerWaalsContact O-CG 3.28Å; R76-L80 WeakPolarHBondContact O-CG 2.89Å; R76-L80 PolarHBondContact O-N 3.36Å; R76-P85 PolarHBondContact NH2-O 3.28Å; R76-A100 HydrophobicContact CB-CB 4.01Å; R76-A100 HydrophobicContact CG-CB 3.9Å; R76-E103 WeakPolarHBondContact CG-OE2 3.39Å; R76-E103 IonicContact CZ-OE1 2.79Å; R76-E103 IonicContact CZ-OE2 3.06Å; R76-E103 VanDerWaalsContact CZ-OE2 3.27Å; R76-E103 IonicContact NE-OE1 3.58Å; R76-E103 IonicContact NE-OE2 3.77Å; R76-E103 PolarHBondContact NE-OE2 3.05Å; R76-E103 VanDerWaalsContact NH2-CD 3.3Å; R76-E103 IonicContact NH2-OE1 3.89Å; R76-E103 PolarHBondContact NH2-OE1 3.13Å; R76-E103 IonicContact NH2-OE2 2.64Å; R76-E103 PolarHBondContact NH2-OE2 3.17Å; R76-I109 HydrophobicContact CB-CD1 4.2Å; R76-I109 HydrophobicContact CB-CG2 4.31Å; R76-I109 HydrophobicContact CG-CD1 3.96Å; R76-I109 HydrophobicContact CG-CG1 4.03Å; R76-I109 HydrophobicContact CG-CG2 4.1Å; R76-I111 HydrophobicContact CB-CD1 4.39Å |
| 77 | A | 95.9 | Very high | 94.5 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L73 G74 L80 S81 P96 L97 A100 | L73-A77 WeakPolarHBondContact O-CB 3.01Å; L73-A77 PolarHBondContact O-N 2.97Å; G74-A77 PolarHBondContact O-N 3.13Å; A77-L80 PolarHBondContact O-N 3.41Å; A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 3.48Å; A77-P96 HydrophobicContact CB-CB 4.27Å; A77-P96 WeakPolarHBondContact O-CB 3.42Å; A77-L97 HydrophobicContact CB-CB 4.49Å; A77-L97 HydrophobicContact CB-CD1 4.42Å; A77-A100 HydrophobicContact CB-CB 4.33Å |
| 78 | L | 95.9 | Very high | 94.6 | Very high | 107 Ų | 107 | 56.2 Ų | 56.2 | 56% | 0.56 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.2 | -48.9 | 174.3 | -179.9 | 61.1 | 0 | 0 | 0 | 111.4 | G74 A75 R76 L80 S81 M82 | G74-L78 WeakPolarHBondContact O-CB 3.42Å; G74-L78 PolarHBondContact O-N 3.09Å; A75-L78 PolarHBondContact O-N 2.88Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 2.79Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.46Å; L78-S81 WeakPolarHBondContact O-CB 3.36Å; L78-S81 PolarHBondContact O-N 2.83Å; L78-S81 VanDerWaalsContact O-N 3.16Å; L78-S81 PolarHBondContact O-OG 3.16Å; L78-M82 HydrophobicContact CD1-SD 4.45Å; L78-M82 HydrophobicContact CG-SD 4.39Å; L78-M82 WeakPolarHBondContact O-CG 3.46Å; L78-M82 PolarHBondContact O-N 2.85Å; L78-M82 VanDerWaalsContact O-N 3.12Å |
| 79 | Q | 95.2 | Very high | 94.7 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 176.2 | -71.5 | 172.3 | 1.1 | 0 | 0 | 112.3 | A75 R76 S81 M82 A84 | A75-Q79 WeakPolarHBondContact O-CG 3.45Å; A75-Q79 PolarHBondContact O-N 2.81Å; R76-Q79 PolarHBondContact O-N 3.32Å; Q79-S81 VanDerWaalsContact C-N 3.29Å; Q79-S81 PolarHBondContact O-N 2.92Å; Q79-M82 CarbonylContact O-C 3.46Å; Q79-M82 WeakPolarHBondContact O-CA 3.3Å; Q79-M82 PolarHBondContact O-N 3.14Å; Q79-A84 HydrophobicContact CB-CB 3.89Å; Q79-A84 WeakPolarHBondContact O-CB 3.49Å; Q79-A84 PolarHBondContact O-N 2.9Å |
| 80 | L | 95.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 63.6 Ų | 63.6 | 11% | 0.105 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 177.9 | -71.3 | 168 | 0 | 0 | 0 | 111.8 | R76 A77 L78 M82 S83 V86 P96 I99 A100 | R76-L80 HydrophobicContact CG-CD1 4.14Å; R76-L80 VanDerWaalsContact O-CG 3.28Å; R76-L80 WeakPolarHBondContact O-CG 2.89Å; R76-L80 PolarHBondContact O-N 3.36Å; A77-L80 PolarHBondContact O-N 3.41Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.46Å; L80-M82 PolarHBondContact O-N 3.3Å; L80-S83 PolarHBondContact O-N 3.08Å; L80-V86 HydrophobicContact CD2-CB 4.49Å; L80-V86 HydrophobicContact CD2-CG2 3.85Å; L80-P96 HydrophobicContact CB-CB 4.08Å; L80-P96 WeakPolarHBondContact CD1-O 3.31Å; L80-I99 HydrophobicContact CD1-CB 3.91Å; L80-I99 HydrophobicContact CD1-CG2 3.64Å; L80-I99 HydrophobicContact CD2-CG2 4.12Å; L80-A100 HydrophobicContact CD1-CB 4Å |
| 81 | S | 94.9 | Very high | 94.4 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 49% | 0.49 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.3 | -30.6 | 174.7 | 81.8 | 0 | 0 | 0 | 0 | 112.6 | A77 L78 Q79 S83 | A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 3.48Å; L78-S81 WeakPolarHBondContact O-CB 3.36Å; L78-S81 PolarHBondContact O-N 2.83Å; L78-S81 VanDerWaalsContact O-N 3.16Å; L78-S81 PolarHBondContact O-OG 3.16Å; Q79-S81 VanDerWaalsContact C-N 3.29Å; Q79-S81 PolarHBondContact O-N 2.92Å; S81-S83 PolarHBondContact O-N 3.22Å |
| 82 | M | 96.1 | Very high | 94.3 | Very high | 146 Ų | 146 | 64.1 Ų | 64.1 | 72% | 0.719 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 20 | 174.6 | -60.3 | 176.8 | 76.1 | 0 | 0 | 112.5 | L78 Q79 L80 A84 | L78-M82 HydrophobicContact CD1-SD 4.45Å; L78-M82 HydrophobicContact CG-SD 4.39Å; L78-M82 WeakPolarHBondContact O-CG 3.46Å; L78-M82 PolarHBondContact O-N 2.85Å; L78-M82 VanDerWaalsContact O-N 3.12Å; Q79-M82 CarbonylContact O-C 3.46Å; Q79-M82 WeakPolarHBondContact O-CA 3.3Å; Q79-M82 PolarHBondContact O-N 3.14Å; L80-M82 PolarHBondContact O-N 3.3Å; M82-A84 VanDerWaalsContact C-N 3.3Å; M82-A84 PolarHBondContact O-N 2.78Å |
| 83 | S | 92.6 | Very high | 94.2 | Very high | 113 Ų | 113 | 66.6 Ų | 66.6 | 79% | 0.79 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 31.1 | -179.4 | -49.9 | 0 | 0 | 0 | 0 | 114.6 | L80 S81 | L80-S83 PolarHBondContact O-N 3.08Å; S81-S83 PolarHBondContact O-N 3.22Å |
| 84 | A | 93.7 | Very high | 94 | Very high | 29 Ų | 29 | 77.2 Ų | 77.2 | 24% | 0.24 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 155.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q79 M82 V86 | Q79-A84 HydrophobicContact CB-CB 3.89Å; Q79-A84 WeakPolarHBondContact O-CB 3.49Å; Q79-A84 PolarHBondContact O-N 2.9Å; M82-A84 VanDerWaalsContact C-N 3.3Å; M82-A84 PolarHBondContact O-N 2.78Å; A84-V86 PolarHBondContact O-N 3.2Å |
| 85 | P | 95.7 | Very high | 94.1 | Very high | 93 Ų | 93 | 78.4 Ų | 78.4 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 132.6 | 179.8 | -23.6 | 34 | 0 | 0 | 0 | 113.1 | R76 M87 | R76-P85 PolarHBondContact NH2-O 3.28Å; P85-M87 HydrophobicContact CB-CE 4.28Å |
| 86 | V | 95.3 | Very high | 94.2 | Very high | 59 Ų | 59 | 79 Ų | 79 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 134.7 | 175.6 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | L80 A84 V88 L90 I99 | L80-V86 HydrophobicContact CD2-CB 4.49Å; L80-V86 HydrophobicContact CD2-CG2 3.85Å; A84-V86 PolarHBondContact O-N 3.2Å; V86-V88 HydrophobicContact CG1-CG2 4.06Å; V86-V88 VanDerWaalsContact CG1-O 3.31Å; V86-V88 WeakPolarHBondContact CG1-O 3.42Å; V86-L90 HydrophobicContact CG1-CD2 3.92Å; V86-L90 HydrophobicContact CG1-CG 4.28Å; V86-L90 HydrophobicContact CG2-CD1 4.46Å; V86-I99 HydrophobicContact CG1-CG2 3.76Å |
| 87 | M | 94.4 | Very high | 94.3 | Very high | 88 Ų | 88 | 82.4 Ų | 82.4 | 43% | 0.433 | 45% | 0.454 | S | S | . | . | trans | -102.7 | 3.1 | -174.9 | -56.3 | -59.5 | 179.6 | 0 | 0 | 113.7 | P85 E103 K108 P110 | P85-M87 HydrophobicContact CB-CE 4.28Å; M87-E103 PolarHBondContact N-OE1 2.74Å; M87-K108 HydrophobicContact CB-CB 3.82Å; M87-K108 WeakPolarHBondContact CB-O 3.41Å; M87-P110 HydrophobicContact CE-CG 4.15Å | ||
| 88 | V | 94.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 87.4 Ų | 87.4 | 16% | 0.158 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -131.7 | 158.1 | 176.8 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | V86 K102 E103 A106 K108 | V86-V88 HydrophobicContact CG1-CG2 4.06Å; V86-V88 VanDerWaalsContact CG1-O 3.31Å; V86-V88 WeakPolarHBondContact CG1-O 3.42Å; V88-K102 HydrophobicContact CG2-CB 4.31Å; V88-K102 HydrophobicContact CG2-CD 4.04Å; V88-K102 HydrophobicContact CG2-CG 4.07Å; V88-E103 HydrophobicContact CB-CG 4.21Å; V88-E103 HydrophobicContact CG1-CB 4.36Å; V88-E103 HydrophobicContact CG1-CG 3.84Å; V88-E103 HydrophobicContact CG2-CG 3.47Å; V88-E103 VanDerWaalsContact CG2-CG 3.47Å; V88-A106 HydrophobicContact CG1-CB 3.67Å; V88-K108 HydrophobicContact CG1-CB 4.23Å; V88-K108 HydrophobicContact CG1-CG 4.2Å |
| 89 | E | 94.3 | Very high | 94.4 | Very high | 168 Ų | 168 | 82.9 Ų | 82.9 | 79% | 0.785 | 45% | 0.449 | S | S | * | . | trans | -69.3 | 137.2 | 174.1 | -65 | 174.7 | -174.9 | 0 | 0 | 110.5 | K102 | E89-K102 VanDerWaalsContact O-CE 3.28Å; E89-K102 WeakPolarHBondContact O-CE 3.42Å; E89-K102 PolarHBondContact O-NZ 3.41Å | ||
| 90 | L | 92.2 | Very high | 94.4 | Very high | 82 Ų | 82 | 80.6 Ų | 80.6 | 43% | 0.429 | 44% | 0.439 | S | S | . | . | trans | -96.2 | 126.3 | 178.3 | -61.2 | -178.3 | 0 | 0 | 0 | 110 | V86 G92 I99 | V86-L90 HydrophobicContact CG1-CD2 3.92Å; V86-L90 HydrophobicContact CG1-CG 4.28Å; V86-L90 HydrophobicContact CG2-CD1 4.46Å; L90-G92 VanDerWaalsContact C-N 3.34Å; L90-I99 HydrophobicContact CD2-CB 4.48Å; L90-I99 HydrophobicContact CD2-CD1 3.88Å; L90-I99 HydrophobicContact CD2-CG1 3.75Å; L90-I99 HydrophobicContact CD2-CG2 3.95Å | ||
| 91 | D | 90.3 | Very high | 94.5 | Very high | 130 Ų | 130 | 82.8 Ų | 82.8 | 70% | 0.695 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -100.9 | 37.3 | 175.2 | -60 | -47.9 | 0 | 0 | 0 | 110.7 | E93 K102 | D91-E93 WeakPolarHBondContact CA-OE2 3.38Å; D91-E93 PolarHBondContact N-OE2 2.95Å; D91-K102 IonicContact OD2-NZ 3.11Å; D91-K102 PolarHBondContact OD2-NZ 2.93Å |
| 92 | G | 90.2 | Very high | 94.5 | Very high | 65 Ų | 65 | 81.3 Ų | 81.3 | 67% | 0.67 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 87.8 | 7.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L90 R94 | L90-G92 VanDerWaalsContact C-N 3.34Å; G92-R94 PolarHBondContact O-N 2.94Å |
| 93 | E | 91.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 74.3 Ų | 74.3 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | trans | -64 | 129 | 171.3 | -55.5 | 91.1 | 158.1 | 0 | 0 | 110.4 | D91 I99 K102 | D91-E93 WeakPolarHBondContact CA-OE2 3.38Å; D91-E93 PolarHBondContact N-OE2 2.95Å; E93-I99 HydrophobicContact CB-CG1 3.91Å; E93-K102 IonicContact OE1-NZ 2.69Å; E93-K102 PolarHBondContact OE1-NZ 2.98Å; E93-K102 IonicContact OE2-NZ 2.86Å | ||
| 94 | R | 91.3 | Very high | 94.7 | Very high | 237 Ų | 237 | 69.2 Ų | 69.2 | 89% | 0.894 | 36% | 0.363 | S | S | * | . | trans | -111 | -16 | 175.2 | -63.1 | -177.9 | 175.1 | -167.9 | -2.8 | 113 | G92 P96 | G92-R94 PolarHBondContact O-N 2.94Å; R94-P96 WeakPolarHBondContact O-CD 3.06Å | ||
| 95 | D | 96.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 76 Ų | 76 | 35% | 0.348 | 38% | 0.382 | S | S | . | . | trans | -82.5 | 117.4 | -177.1 | 179.3 | -2.7 | 0 | 0 | 0 | 109.8 | L97 K98 I99 | D95-L97 PolarHBondContact O-N 3.48Å; D95-L97 PolarHBondContact OD1-N 2.75Å; D95-K98 HydrophobicContact CB-CB 4.17Å; D95-K98 HydrophobicContact CB-CD 4.01Å; D95-K98 HydrophobicContact CB-CG 4.05Å; D95-K98 PolarHBondContact O-N 3.43Å; D95-K98 WeakPolarHBondContact OD2-CG 3.27Å; D95-I99 WeakPolarHBondContact O-CG1 3.48Å; D95-I99 PolarHBondContact O-N 2.85Å; D95-I99 VanDerWaalsContact O-N 3.13Å | ||
| 96 | P | 96.7 | Very high | 94.7 | Very high | 41 Ų | 41 | 73.9 Ų | 73.9 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.1 | -33.9 | -179.7 | -25.5 | 34.9 | 0 | 0 | 0 | 113.6 | A77 L80 R94 I99 A100 | A77-P96 HydrophobicContact CB-CB 4.27Å; A77-P96 WeakPolarHBondContact O-CB 3.42Å; L80-P96 HydrophobicContact CB-CB 4.08Å; L80-P96 WeakPolarHBondContact CD1-O 3.31Å; R94-P96 WeakPolarHBondContact O-CD 3.06Å; P96-I99 PolarHBondContact O-N 3.4Å; P96-A100 WeakPolarHBondContact O-CB 3.22Å; P96-A100 PolarHBondContact O-N 3.46Å |
| 97 | L | 96.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 74.3 Ų | 74.3 | 40% | 0.398 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 179.8 | -178.7 | 62 | 0 | 0 | 0 | 111.1 | L73 A77 D95 I99 A100 E101 | L73-L97 HydrophobicContact CB-CD1 4.24Å; A77-L97 HydrophobicContact CB-CB 4.49Å; A77-L97 HydrophobicContact CB-CD1 4.42Å; D95-L97 PolarHBondContact O-N 3.48Å; D95-L97 PolarHBondContact OD1-N 2.75Å; L97-I99 VanDerWaalsContact C-N 3.28Å; L97-I99 PolarHBondContact O-N 2.97Å; L97-A100 PolarHBondContact O-N 2.85Å; L97-E101 WeakPolarHBondContact O-CG 3.16Å; L97-E101 PolarHBondContact O-N 3.46Å |
| 98 | K | 96.4 | Very high | 94.6 | Very high | 119 Ų | 119 | 75.9 Ų | 75.9 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 176.9 | -68.4 | -178.4 | -173.7 | 177.6 | 0 | 112 | D95 E101 K102 | D95-K98 HydrophobicContact CB-CB 4.17Å; D95-K98 HydrophobicContact CB-CD 4.01Å; D95-K98 HydrophobicContact CB-CG 4.05Å; D95-K98 PolarHBondContact O-N 3.43Å; D95-K98 WeakPolarHBondContact OD2-CG 3.27Å; K98-E101 PolarHBondContact O-N 2.63Å; K98-K102 WeakPolarHBondContact O-CB 2.87Å; K98-K102 PolarHBondContact O-N 2.83Å |
| 99 | I | 97.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 75.1 Ų | 75.1 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 174.8 | -61.6 | 168.2 | 0 | 0 | 0 | 109.9 | L80 V86 L90 E93 D95 P96 L97 E101 K102 E103 | L80-I99 HydrophobicContact CD1-CB 3.91Å; L80-I99 HydrophobicContact CD1-CG2 3.64Å; L80-I99 HydrophobicContact CD2-CG2 4.12Å; V86-I99 HydrophobicContact CG1-CG2 3.76Å; L90-I99 HydrophobicContact CD2-CB 4.48Å; L90-I99 HydrophobicContact CD2-CD1 3.88Å; L90-I99 HydrophobicContact CD2-CG1 3.75Å; L90-I99 HydrophobicContact CD2-CG2 3.95Å; E93-I99 HydrophobicContact CB-CG1 3.91Å; D95-I99 WeakPolarHBondContact O-CG1 3.48Å; D95-I99 PolarHBondContact O-N 2.85Å; D95-I99 VanDerWaalsContact O-N 3.13Å; P96-I99 PolarHBondContact O-N 3.4Å; L97-I99 VanDerWaalsContact C-N 3.28Å; L97-I99 PolarHBondContact O-N 2.97Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.29Å; I99-K102 WeakPolarHBondContact O-CB 3.26Å; I99-K102 PolarHBondContact O-N 3.12Å; I99-K102 VanDerWaalsContact O-N 3.11Å; I99-E103 WeakPolarHBondContact O-CG 3.41Å; I99-E103 PolarHBondContact O-N 3.39Å |
| 100 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L73 R76 A77 L80 P96 L97 K102 E103 L104 | L73-A100 HydrophobicContact CD2-CB 4.09Å; R76-A100 HydrophobicContact CB-CB 4.01Å; R76-A100 HydrophobicContact CG-CB 3.9Å; A77-A100 HydrophobicContact CB-CB 4.33Å; L80-A100 HydrophobicContact CD1-CB 4Å; P96-A100 WeakPolarHBondContact O-CB 3.22Å; P96-A100 PolarHBondContact O-N 3.46Å; L97-A100 PolarHBondContact O-N 2.85Å; A100-K102 VanDerWaalsContact C-N 3.33Å; A100-K102 PolarHBondContact O-N 3Å; A100-E103 PolarHBondContact O-N 2.96Å; A100-L104 WeakPolarHBondContact O-CB 3.48Å; A100-L104 PolarHBondContact O-N 3.41Å |
| 101 | E | 96.3 | Very high | 94.6 | Very high | 66 Ų | 66 | 65.7 Ų | 65.7 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 174.6 | -73 | -178.5 | 169.1 | 0 | 0 | 112.7 | L73 L97 K98 I99 L104 R105 | L73-E101 HydrophobicContact CD1-CG 4.21Å; L73-E101 HydrophobicContact CD2-CB 4.43Å; L73-E101 HydrophobicContact CD2-CG 3.91Å; L97-E101 WeakPolarHBondContact O-CG 3.16Å; L97-E101 PolarHBondContact O-N 3.46Å; K98-E101 PolarHBondContact O-N 2.63Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.29Å; E101-L104 PolarHBondContact O-N 3.04Å; E101-R105 WeakPolarHBondContact O-CB 3.16Å; E101-R105 WeakPolarHBondContact O-CG 3.44Å; E101-R105 PolarHBondContact O-N 3.16Å; E101-R105 PolarHBondContact O-NE 3.39Å; E101-R105 IonicContact OE2-NH2 3.27Å |
| 102 | K | 96 | Very high | 94.8 | Very high | 38 Ų | 38 | 61.6 Ų | 61.6 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.4 | -167.8 | 177.5 | -170.3 | 174.4 | 0 | 110.8 | V88 E89 D91 E93 K98 I99 A100 R105 A106 | V88-K102 HydrophobicContact CG2-CB 4.31Å; V88-K102 HydrophobicContact CG2-CD 4.04Å; V88-K102 HydrophobicContact CG2-CG 4.07Å; E89-K102 VanDerWaalsContact O-CE 3.28Å; E89-K102 WeakPolarHBondContact O-CE 3.42Å; E89-K102 PolarHBondContact O-NZ 3.41Å; D91-K102 IonicContact OD2-NZ 3.11Å; D91-K102 PolarHBondContact OD2-NZ 2.93Å; E93-K102 IonicContact OE1-NZ 2.69Å; E93-K102 PolarHBondContact OE1-NZ 2.98Å; E93-K102 IonicContact OE2-NZ 2.86Å; K98-K102 WeakPolarHBondContact O-CB 2.87Å; K98-K102 PolarHBondContact O-N 2.83Å; I99-K102 WeakPolarHBondContact O-CB 3.26Å; I99-K102 PolarHBondContact O-N 3.12Å; I99-K102 VanDerWaalsContact O-N 3.11Å; A100-K102 VanDerWaalsContact C-N 3.33Å; A100-K102 PolarHBondContact O-N 3Å; K102-R105 PolarHBondContact O-N 2.98Å; K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.44Å |
| 103 | E | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 175.1 | -68.7 | -178.4 | 152.6 | 0 | 0 | 112.9 | R76 M87 V88 I99 A100 A106 N107 K108 I109 | R76-E103 WeakPolarHBondContact CG-OE2 3.39Å; R76-E103 IonicContact CZ-OE1 2.79Å; R76-E103 IonicContact CZ-OE2 3.06Å; R76-E103 VanDerWaalsContact CZ-OE2 3.27Å; R76-E103 IonicContact NE-OE1 3.58Å; R76-E103 IonicContact NE-OE2 3.77Å; R76-E103 PolarHBondContact NE-OE2 3.05Å; R76-E103 VanDerWaalsContact NH2-CD 3.3Å; R76-E103 IonicContact NH2-OE1 3.89Å; R76-E103 PolarHBondContact NH2-OE1 3.13Å; R76-E103 IonicContact NH2-OE2 2.64Å; R76-E103 PolarHBondContact NH2-OE2 3.17Å; M87-E103 PolarHBondContact N-OE1 2.74Å; V88-E103 HydrophobicContact CB-CG 4.21Å; V88-E103 HydrophobicContact CG1-CB 4.36Å; V88-E103 HydrophobicContact CG1-CG 3.84Å; V88-E103 HydrophobicContact CG2-CG 3.47Å; V88-E103 VanDerWaalsContact CG2-CG 3.47Å; I99-E103 WeakPolarHBondContact O-CG 3.41Å; I99-E103 PolarHBondContact O-N 3.39Å; A100-E103 PolarHBondContact O-N 2.96Å; E103-A106 CarbonylContact O-C 3.57Å; E103-A106 PolarHBondContact O-N 2.96Å; E103-N107 PolarHBondContact O-N 3.21Å; E103-K108 PolarHBondContact O-N 3Å; E103-I109 HydrophobicContact CB-CD1 4.21Å; E103-I109 HydrophobicContact CB-CG1 3.51Å |
| 104 | L | 95.7 | Very high | 95 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 175.6 | -177.4 | 63.8 | 0 | 0 | 0 | 110.4 | L64 R69 V72 L73 A100 E101 A106 N107 I109 L127 L132 | L64-L104 HydrophobicContact CD2-CD1 4.38Å; R69-L104 HydrophobicContact CG-CD2 3.96Å; V72-L104 HydrophobicContact CG1-CD1 4.4Å; L73-L104 HydrophobicContact CD1-CD2 4.21Å; L73-L104 HydrophobicContact CD2-CB 4.06Å; L73-L104 HydrophobicContact CD2-CD2 3.81Å; L73-L104 HydrophobicContact CG-CD2 4Å; A100-L104 WeakPolarHBondContact O-CB 3.48Å; A100-L104 PolarHBondContact O-N 3.41Å; E101-L104 PolarHBondContact O-N 3.04Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.44Å; L104-N107 PolarHBondContact O-N 2.91Å; L104-I109 HydrophobicContact CB-CD1 3.7Å; L104-I109 HydrophobicContact CD1-CD1 4.2Å; L104-L127 HydrophobicContact CD1-CD1 4.26Å; L104-L127 HydrophobicContact CD1-CD2 3.9Å; L104-L127 HydrophobicContact CD1-CG 4.3Å; L104-L132 HydrophobicContact CD1-CD2 3.96Å; L104-L132 HydrophobicContact CG-CD1 4.36Å; L104-L132 HydrophobicContact CG-CD2 4.39Å |
| 105 | R | 94 | Very high | 95 | Very high | 171 Ų | 171 | 45.8 Ų | 45.8 | 65% | 0.645 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.1 | -33.7 | 176.6 | -77.3 | -177.2 | -96 | 117.4 | -5.7 | 112.8 | E101 K102 N107 | E101-R105 WeakPolarHBondContact O-CB 3.16Å; E101-R105 WeakPolarHBondContact O-CG 3.44Å; E101-R105 PolarHBondContact O-N 3.16Å; E101-R105 PolarHBondContact O-NE 3.39Å; E101-R105 IonicContact OE2-NH2 3.27Å; K102-R105 PolarHBondContact O-N 2.98Å; R105-N107 VanDerWaalsContact C-N 3.26Å |
| 106 | A | 94.9 | Very high | 94.7 | Very high | 49 Ų | 49 | 46 Ų | 46 | 41% | 0.405 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V88 K102 E103 L104 K108 | V88-A106 HydrophobicContact CG1-CB 3.67Å; K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 3.44Å; E103-A106 CarbonylContact O-C 3.57Å; E103-A106 PolarHBondContact O-N 2.96Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.44Å; A106-K108 HydrophobicContact CB-CB 4.45Å; A106-K108 HydrophobicContact CB-CG 3.88Å; A106-K108 WeakPolarHBondContact O-CG 3.46Å; A106-K108 PolarHBondContact O-N 3.21Å |
| 107 | N | 93.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 44.6 | -175 | -150.2 | 24.1 | 0 | 0 | 0 | 113.4 | E103 L104 R105 D128 | E103-N107 PolarHBondContact O-N 3.21Å; L104-N107 PolarHBondContact O-N 2.91Å; R105-N107 VanDerWaalsContact C-N 3.26Å; N107-D128 VanDerWaalsContact ND2-CA 3.34Å; N107-D128 WeakPolarHBondContact ND2-CA 3.28Å; N107-D128 PolarHBondContact ND2-O 3Å; N107-D128 VanDerWaalsContact OD1-CA 3.26Å; N107-D128 WeakPolarHBondContact OD1-CA 3.38Å |
| 108 | K | 95 | Very high | 94 | Very high | 121 Ų | 121 | 49.1 Ų | 49.1 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | trans | -117.6 | 2.8 | -172.9 | -67.8 | -59.7 | -175.5 | 179.8 | 0 | 115.1 | M87 V88 E103 A106 P110 | M87-K108 HydrophobicContact CB-CB 3.82Å; M87-K108 WeakPolarHBondContact CB-O 3.41Å; V88-K108 HydrophobicContact CG1-CB 4.23Å; V88-K108 HydrophobicContact CG1-CG 4.2Å; E103-K108 PolarHBondContact O-N 3Å; A106-K108 HydrophobicContact CB-CB 4.45Å; A106-K108 HydrophobicContact CB-CG 3.88Å; A106-K108 WeakPolarHBondContact O-CG 3.46Å; A106-K108 PolarHBondContact O-N 3.21Å; K108-P110 WeakPolarHBondContact O-CD 3.45Å | ||
| 109 | I | 94.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | trans | -76.3 | 121.3 | 179.3 | -63.3 | 177.9 | 0 | 0 | 0 | 109.6 | V72 R76 E103 L104 I111 L127 | V72-I109 HydrophobicContact CG1-CD1 3.95Å; V72-I109 HydrophobicContact CG1-CG2 4.24Å; R76-I109 HydrophobicContact CB-CD1 4.2Å; R76-I109 HydrophobicContact CB-CG2 4.31Å; R76-I109 HydrophobicContact CG-CD1 3.96Å; R76-I109 HydrophobicContact CG-CG1 4.03Å; R76-I109 HydrophobicContact CG-CG2 4.1Å; E103-I109 HydrophobicContact CB-CD1 4.21Å; E103-I109 HydrophobicContact CB-CG1 3.51Å; L104-I109 HydrophobicContact CB-CD1 3.7Å; L104-I109 HydrophobicContact CD1-CD1 4.2Å; I109-I111 VanDerWaalsContact C-N 3.26Å; I109-I111 HydrophobicContact CG2-CB 3.95Å; I109-I111 HydrophobicContact CG2-CD1 3.52Å; I109-I111 HydrophobicContact CG2-CG1 3.59Å; I109-I111 PolarHBondContact O-N 3.4Å; I109-L127 HydrophobicContact CB-CD2 3.65Å; I109-L127 HydrophobicContact CD1-CD2 4.32Å; I109-L127 HydrophobicContact CG1-CD2 4.5Å; I109-L127 HydrophobicContact CG2-CD2 3.81Å | ||
| 110 | P | 93.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 51 Ų | 51 | 31% | 0.312 | 27% | 0.273 | S | S | . | . | trans | -84.1 | 61.6 | -176.1 | 36.3 | -38 | 0 | 0 | 0 | 112.2 | A38 M87 K108 | A38-P110 HydrophobicContact CB-CB 4.2Å; A38-P110 PolarHBondContact N-O 2.92Å; M87-P110 HydrophobicContact CE-CG 4.15Å; K108-P110 WeakPolarHBondContact O-CD 3.45Å | ||
| 111 | I | 92.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.3 | -178.4 | -66.9 | 177.1 | 0 | 0 | 0 | 110.4 | Y35 R76 I109 L127 | Y35-I111 HydrophobicContact CD1-CG2 3.78Å; Y35-I111 HydrophobicContact CG-CG2 4.46Å; R76-I111 HydrophobicContact CB-CD1 4.39Å; I109-I111 VanDerWaalsContact C-N 3.26Å; I109-I111 HydrophobicContact CG2-CB 3.95Å; I109-I111 HydrophobicContact CG2-CD1 3.52Å; I109-I111 HydrophobicContact CG2-CG1 3.59Å; I109-I111 PolarHBondContact O-N 3.4Å; I111-L127 VanDerWaalsContact O-CB 3.31Å; I111-L127 WeakPolarHBondContact O-CB 3.41Å; I111-L127 PolarHBondContact O-N 3.13Å; I111-L127 VanDerWaalsContact O-N 3.08Å |
| 112 | I | 93.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.4 | 167.5 | -60.6 | 172.1 | 0 | 0 | 0 | 108.3 | I36 D124 W125 | I36-I112 HydrophobicContact CB-CB 4.34Å; I36-I112 PolarHBondContact N-O 3.44Å; I36-I112 PolarHBondContact O-N 2.86Å; I112-D124 HydrophobicContact CG2-CB 3.82Å; I112-W125 CarbonylContact C-O 3.59Å; I112-W125 WeakPolarHBondContact CA-O 3.48Å |
| 113 | I | 93 | Very high | 92 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.8 | 173 | -62.5 | 173 | 0 | 0 | 0 | 108 | V33 Y35 L64 E68 V72 R115 W125 L127 L130 | V33-I113 HydrophobicContact CG1-CG2 3.92Å; Y35-I113 HydrophobicContact CD1-CG1 4.37Å; Y35-I113 HydrophobicContact CE1-CG1 4.13Å; L64-I113 HydrophobicContact CD1-CD1 3.36Å; E68-I113 HydrophobicContact CB-CD1 4Å; E68-I113 HydrophobicContact CG-CD1 4.31Å; E68-I113 HydrophobicContact CG-CG2 4.18Å; V72-I113 HydrophobicContact CG2-CD1 3.92Å; V72-I113 HydrophobicContact CG2-CG1 4.21Å; I113-R115 HydrophobicContact CG2-CG 4.16Å; I113-W125 PolarHBondContact N-O 2.85Å; I113-W125 PolarHBondContact O-N 3.32Å; I113-L127 HydrophobicContact CD1-CD1 3.99Å; I113-L130 HydrophobicContact CD1-CD1 3.64Å |
| 114 | R | 93.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 2% | 0.023 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.1 | 170.9 | 177.1 | 168.6 | -67.7 | -177.9 | -3.6 | 110.1 | V33 T34 I36 M49 F116 F122 E123 D124 | V33-R114 WeakPolarHBondContact CA-O 3.18Å; T34-R114 PolarHBondContact N-O 3.19Å; T34-R114 WeakPolarHBondContact O-CB 3.43Å; T34-R114 PolarHBondContact O-N 3.48Å; T34-R114 WeakPolarHBondContact OG1-CB 3.39Å; I36-R114 HydrophobicContact CD1-CB 4.33Å; I36-R114 VanDerWaalsContact CD1-NH2 3.28Å; M49-R114 VanDerWaalsContact CE-NH1 3.29Å; R114-F116 HydrophobicContact CG-CD2 4.42Å; R114-F116 HydrophobicContact CG-CE1 4.38Å; R114-F116 HydrophobicContact CG-CE2 3.89Å; R114-F116 HydrophobicContact CG-CZ 3.88Å; R114-F122 VanDerWaalsContact CD-CD2 3.48Å; R114-F122 HydrophobicContact CG-CB 3.76Å; R114-F122 HydrophobicContact CG-CD2 3.72Å; R114-F122 HydrophobicContact CG-CG 3.86Å; R114-F122 VanDerWaalsContact NE-CE2 3.28Å; R114-F122 VanDerWaalsContact NH2-CE2 3.31Å; R114-E123 CarbonylContact C-O 3.57Å; R114-E123 WeakPolarHBondContact CA-O 3.38Å; R114-D124 WeakPolarHBondContact CB-OD1 3.4Å; R114-D124 WeakPolarHBondContact CG-OD1 3.42Å; R114-D124 IonicContact CZ-OD1 2.69Å; R114-D124 IonicContact CZ-OD2 3.41Å; R114-D124 IonicContact NE-OD1 3.4Å; R114-D124 PolarHBondContact NE-OD1 3.37Å; R114-D124 IonicContact NE-OD2 2.7Å; R114-D124 IonicContact NH2-OD1 3.32Å; R114-D124 PolarHBondContact NH2-OD1 3.03Å; R114-D124 IonicContact NH2-OD2 3.25Å; R114-D124 PolarHBondContact NH2-OD2 2.9Å |
| 115 | R | 92.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 6% | 0.064 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 119.9 | 175.8 | -65.8 | 176.3 | 174.5 | 167.1 | -4 | 110 | T60 T61 Y63 E68 I113 F122 E123 | T60-R115 HydrophobicContact CG2-CB 4.33Å; T60-R115 VanDerWaalsContact OG1-CD 3.27Å; T60-R115 WeakPolarHBondContact OG1-CD 3.38Å; T60-R115 PolarHBondContact OG1-NH1 3.39Å; T61-R115 PolarHBondContact O-NH1 3Å; Y63-R115 PolarHBondContact O-NH2 3.05Å; E68-R115 IonicContact OE1-CZ 2.9Å; E68-R115 IonicContact OE1-NE 2.8Å; E68-R115 PolarHBondContact OE1-NE 3.47Å; E68-R115 IonicContact OE1-NH2 3.72Å; E68-R115 PolarHBondContact OE1-NH2 3.03Å; E68-R115 VanDerWaalsContact OE1-NH2 3.11Å; E68-R115 IonicContact OE2-CZ 3.6Å; E68-R115 IonicContact OE2-NE 3.2Å; E68-R115 IonicContact OE2-NH2 2.72Å; E68-R115 PolarHBondContact OE2-NH2 2.92Å; I113-R115 HydrophobicContact CG2-CG 4.16Å; R115-F122 CarbonylContact O-C 3.48Å; R115-F122 WeakPolarHBondContact O-CA 3.47Å; R115-F122 VanDerWaalsContact O-CB 3.3Å; R115-F122 WeakPolarHBondContact O-CB 3.45Å; R115-E123 PolarHBondContact N-O 3.39Å; R115-E123 PolarHBondContact O-N 3.48Å |
| 116 | F | 90.7 | Very high | 91.6 | Very high | 69 Ų | 69 | 43 Ų | 43 | 30% | 0.303 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 139.9 | 176.1 | -65.2 | -88.6 | 0 | 0 | 0 | 111.1 | G32 T34 R114 F122 | G32-F116 PolarHBondContact O-N 2.73Å; T34-F116 HydrophobicContact CG2-CE2 3.85Å; T34-F116 HydrophobicContact CG2-CZ 4.19Å; T34-F116 WeakPolarHBondContact OG1-CE2 3.34Å; R114-F116 HydrophobicContact CG-CD2 4.42Å; R114-F116 HydrophobicContact CG-CE1 4.38Å; R114-F116 HydrophobicContact CG-CE2 3.89Å; R114-F116 HydrophobicContact CG-CZ 3.88Å; F116-F122 HydrophobicContact CD1-CB 3.81Å; F116-F122 HydrophobicContact CD1-CD1 4.34Å; F116-F122 HydrophobicContact CD1-CG 4.45Å; F116-F122 HydrophobicContact CE1-CB 4.1Å; F116-F122 HydrophobicContact CE1-CD1 4.06Å; F116-F122 HydrophobicContact CE1-CG 4.3Å; F116-F122 HydrophobicContact CG-CB 4.31Å |
| 117 | L | 89.5 | Confident | 91.6 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -98.9 | 156 | 175.5 | -66.8 | -179 | 0 | 0 | 0 | 109.7 | V53 T60 D119 G120 S121 E123 | V53-L117 HydrophobicContact CG2-CD1 4.25Å; T60-L117 HydrophobicContact CG2-CD2 3.86Å; L117-D119 VanDerWaalsContact CB-OD1 3.25Å; L117-D119 WeakPolarHBondContact CB-OD1 3.39Å; L117-D119 PolarHBondContact O-N 3.34Å; L117-D119 VanDerWaalsContact O-N 3.09Å; L117-G120 PolarHBondContact O-N 3.4Å; L117-S121 WeakPolarHBondContact CD1-OG 3.47Å; L117-S121 PolarHBondContact N-O 3.44Å; L117-E123 HydrophobicContact CD1-CG 4.43Å |
| 118 | P | 88.3 | Confident | 91.6 | Very high | 142 Ų | 142 | 42.5 Ų | 42.5 | 92% | 0.922 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16 | -175.4 | 25.4 | -35.9 | 0 | 0 | 0 | 114.3 | G120 | P118-G120 VanDerWaalsContact C-N 3.27Š|
| 119 | D | 85.6 | Confident | 91.5 | Very high | 124 Ų | 124 | 39.7 Ų | 39.7 | 66% | 0.663 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 0.1 | 173.7 | 68.7 | -15.8 | 0 | 0 | 0 | 113.3 | L117 S121 | L117-D119 VanDerWaalsContact CB-OD1 3.25Å; L117-D119 WeakPolarHBondContact CB-OD1 3.39Å; L117-D119 PolarHBondContact O-N 3.34Å; L117-D119 VanDerWaalsContact O-N 3.09Å; D119-S121 VanDerWaalsContact C-N 3.32Å; D119-S121 VanDerWaalsContact CG-OG 3.31Å; D119-S121 WeakPolarHBondContact OD1-CB 3.46Å; D119-S121 PolarHBondContact OD1-N 2.9Å; D119-S121 PolarHBondContact OD1-OG 3.26Å; D119-S121 PolarHBondContact OD2-OG 3.41Å |
| 120 | G | 84.6 | Confident | 91.5 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 51% | 0.505 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 85.2 | -2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L117 P118 | L117-G120 PolarHBondContact O-N 3.4Å; P118-G120 VanDerWaalsContact C-N 3.27Å |
| 121 | S | 87.9 | Confident | 91.6 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | trans | -74.9 | 170.1 | 168.6 | 72.4 | 0 | 0 | 0 | 0 | 110.8 | L117 D119 | L117-S121 WeakPolarHBondContact CD1-OG 3.47Å; L117-S121 PolarHBondContact N-O 3.44Å; D119-S121 VanDerWaalsContact C-N 3.32Å; D119-S121 VanDerWaalsContact CG-OG 3.31Å; D119-S121 WeakPolarHBondContact OD1-CB 3.46Å; D119-S121 PolarHBondContact OD1-N 2.9Å; D119-S121 PolarHBondContact OD1-OG 3.26Å; D119-S121 PolarHBondContact OD2-OG 3.41Å | ||
| 122 | F | 89.7 | Confident | 91.6 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158 | 177.7 | 58.6 | -93.6 | 0 | 0 | 0 | 113.1 | M49 A50 P52 V53 R114 R115 F116 | M49-F122 HydrophobicContact CB-CE1 4.04Å; M49-F122 HydrophobicContact SD-CE1 4.13Å; A50-F122 WeakPolarHBondContact O-CE1 3.5Å; A50-F122 WeakPolarHBondContact O-CZ 3.3Å; P52-F122 WeakPolarHBondContact CA-O 3.08Å; P52-F122 HydrophobicContact CB-CD2 4.14Å; P52-F122 HydrophobicContact CB-CE2 3.65Å; P52-F122 HydrophobicContact CB-CZ 4.45Å; P52-F122 HydrophobicContact CG-CE2 4.3Å; V53-F122 PolarHBondContact N-O 3.04Å; R114-F122 VanDerWaalsContact CD-CD2 3.48Å; R114-F122 HydrophobicContact CG-CB 3.76Å; R114-F122 HydrophobicContact CG-CD2 3.72Å; R114-F122 HydrophobicContact CG-CG 3.86Å; R114-F122 VanDerWaalsContact NE-CE2 3.28Å; R114-F122 VanDerWaalsContact NH2-CE2 3.31Å; R115-F122 CarbonylContact O-C 3.48Å; R115-F122 WeakPolarHBondContact O-CA 3.47Å; R115-F122 VanDerWaalsContact O-CB 3.3Å; R115-F122 WeakPolarHBondContact O-CB 3.45Å; F116-F122 HydrophobicContact CD1-CB 3.81Å; F116-F122 HydrophobicContact CD1-CD1 4.34Å; F116-F122 HydrophobicContact CD1-CG 4.45Å; F116-F122 HydrophobicContact CE1-CB 4.1Å; F116-F122 HydrophobicContact CE1-CD1 4.06Å; F116-F122 HydrophobicContact CE1-CG 4.3Å; F116-F122 HydrophobicContact CG-CB 4.31Å |
| 123 | E | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.7 | 175.4 | -62 | 179 | -172.9 | 0 | 0 | 109.9 | V53 R58 V59 T60 R114 R115 L117 W125 | V53-E123 HydrophobicContact CB-CG 4.1Å; V53-E123 HydrophobicContact CG2-CG 4.41Å; R58-E123 VanDerWaalsContact CA-OE1 3.31Å; R58-E123 WeakPolarHBondContact CA-OE1 3.45Å; R58-E123 HydrophobicContact CB-CG 4.44Å; R58-E123 HydrophobicContact CG-CB 4.47Å; R58-E123 HydrophobicContact CG-CG 4.08Å; V59-E123 PolarHBondContact N-OE1 3.35Å; T60-E123 WeakPolarHBondContact CB-OE2 3.34Å; T60-E123 WeakPolarHBondContact CG2-OE2 3.39Å; T60-E123 PolarHBondContact N-OE1 3.06Å; T60-E123 PolarHBondContact N-OE2 2.64Å; T60-E123 PolarHBondContact OG1-OE2 2.79Å; R114-E123 CarbonylContact C-O 3.57Å; R114-E123 WeakPolarHBondContact CA-O 3.38Å; R115-E123 PolarHBondContact N-O 3.39Å; R115-E123 PolarHBondContact O-N 3.48Å; L117-E123 HydrophobicContact CD1-CG 4.43Å; E123-W125 PolarHBondContact OE2-NE1 2.79Å |
| 124 | D | 92.6 | Very high | 90 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 114 | 172.8 | -74.6 | -12.4 | 0 | 0 | 0 | 109.5 | R58 I112 R114 | R58-D124 PolarHBondContact NH2-O 2.81Å; I112-D124 HydrophobicContact CG2-CB 3.82Å; R114-D124 WeakPolarHBondContact CB-OD1 3.4Å; R114-D124 WeakPolarHBondContact CG-OD1 3.42Å; R114-D124 IonicContact CZ-OD1 2.69Å; R114-D124 IonicContact CZ-OD2 3.41Å; R114-D124 IonicContact NE-OD1 3.4Å; R114-D124 PolarHBondContact NE-OD1 3.37Å; R114-D124 IonicContact NE-OD2 2.7Å; R114-D124 IonicContact NH2-OD1 3.32Å; R114-D124 PolarHBondContact NH2-OD1 3.03Å; R114-D124 IonicContact NH2-OD2 3.25Å; R114-D124 PolarHBondContact NH2-OD2 2.9Å |
| 125 | W | 93.6 | Very high | 89.8 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 9% | 0.087 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116.9 | 176.7 | -72.5 | 84.4 | 0 | 0 | 0 | 110 | R58 T60 P62 I112 I113 E123 E129 L130 | R58-W125 HydrophobicContact CB-CZ2 4.06Å; R58-W125 HydrophobicContact CG-CZ2 4.44Å; T60-W125 PolarHBondContact OG1-NE1 2.64Å; P62-W125 HydrophobicContact CB-CH2 4.27Å; P62-W125 HydrophobicContact CB-CZ3 4.33Å; I112-W125 CarbonylContact C-O 3.59Å; I112-W125 WeakPolarHBondContact CA-O 3.48Å; I113-W125 PolarHBondContact N-O 2.85Å; I113-W125 PolarHBondContact O-N 3.32Å; E123-W125 PolarHBondContact OE2-NE1 2.79Å; W125-E129 WeakPolarHBondContact CA-OE1 3.44Å; W125-E129 HydrophobicContact CE3-CG 4.1Å; W125-L130 HydrophobicContact CB-CD1 4.07Å; W125-L130 HydrophobicContact CB-CD2 4.19Å; W125-L130 HydrophobicContact CB-CG 4.18Å; W125-L130 HydrophobicContact CD2-CD2 3.83Å; W125-L130 HydrophobicContact CE3-CD2 3.46Å; W125-L130 VanDerWaalsContact CE3-CD2 3.46Å; W125-L130 HydrophobicContact CE3-CG 4.18Å; W125-L130 HydrophobicContact CG-CD2 4.16Å; W125-L130 HydrophobicContact CZ3-CD2 4.09Å |
| 126 | S | 93.2 | Very high | 89.7 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 138.4 | 168.5 | -57.3 | 0 | 0 | 0 | 0 | 108.6 | D128 E129 | S126-D128 WeakPolarHBondContact CB-OD1 3.31Å; S126-D128 PolarHBondContact O-N 3.06Å; S126-D128 VanDerWaalsContact O-N 3.14Å; S126-E129 PolarHBondContact N-OE1 2.96Å; S126-E129 WeakPolarHBondContact O-CG 3.44Å; S126-E129 PolarHBondContact O-N 3.42Å; S126-E129 VanDerWaalsContact O-N 3.16Å |
| 127 | L | 93.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -61 | -27.6 | -177.5 | -176.7 | 65.2 | 0 | 0 | 0 | 112.3 | L64 V72 L104 I109 I111 I113 L130 | L64-L127 HydrophobicContact CD1-CD1 3.77Å; L64-L127 HydrophobicContact CD2-CD1 3.98Å; L64-L127 HydrophobicContact CG-CD1 4.5Å; V72-L127 HydrophobicContact CG1-CD1 4.37Å; V72-L127 HydrophobicContact CG1-CD2 3.53Å; V72-L127 HydrophobicContact CG2-CD1 4.23Å; L104-L127 HydrophobicContact CD1-CD1 4.26Å; L104-L127 HydrophobicContact CD1-CD2 3.9Å; L104-L127 HydrophobicContact CD1-CG 4.3Å; I109-L127 HydrophobicContact CB-CD2 3.65Å; I109-L127 HydrophobicContact CD1-CD2 4.32Å; I109-L127 HydrophobicContact CG1-CD2 4.5Å; I109-L127 HydrophobicContact CG2-CD2 3.81Å; I111-L127 VanDerWaalsContact O-CB 3.31Å; I111-L127 WeakPolarHBondContact O-CB 3.41Å; I111-L127 PolarHBondContact O-N 3.13Å; I111-L127 VanDerWaalsContact O-N 3.08Å; I113-L127 HydrophobicContact CD1-CD1 3.99Å; L127-L130 HydrophobicContact CD1-CD1 4.47Å; L127-L130 PolarHBondContact O-N 3.5Å |
| 128 | D | 93.6 | Very high | 89.6 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -71.2 | -24 | 179.3 | 68.1 | -24.2 | 0 | 0 | 0 | 115.3 | N107 S126 | N107-D128 VanDerWaalsContact ND2-CA 3.34Å; N107-D128 WeakPolarHBondContact ND2-CA 3.28Å; N107-D128 PolarHBondContact ND2-O 3Å; N107-D128 VanDerWaalsContact OD1-CA 3.26Å; N107-D128 WeakPolarHBondContact OD1-CA 3.38Å; S126-D128 WeakPolarHBondContact CB-OD1 3.31Å; S126-D128 PolarHBondContact O-N 3.06Å; S126-D128 VanDerWaalsContact O-N 3.14Å |
| 129 | E | 93.9 | Very high | 89.7 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -87.7 | -6.1 | 174.3 | 58.5 | 178.1 | -157.9 | 0 | 0 | 113.2 | K55 R58 W125 S126 | K55-E129 IonicContact NZ-OE2 3.86Å; K55-E129 PolarHBondContact NZ-OE2 3.11Å; R58-E129 IonicContact CZ-OE1 3.78Å; R58-E129 IonicContact NH1-OE1 2.87Å; R58-E129 PolarHBondContact NH1-OE1 2.8Å; R58-E129 IonicContact NH1-OE2 3.84Å; R58-E129 IonicContact NH2-OE1 3.95Å; R58-E129 PolarHBondContact NH2-OE1 3.39Å; W125-E129 WeakPolarHBondContact CA-OE1 3.44Å; W125-E129 HydrophobicContact CE3-CG 4.1Å; S126-E129 PolarHBondContact N-OE1 2.96Å; S126-E129 WeakPolarHBondContact O-CG 3.44Å; S126-E129 PolarHBondContact O-N 3.42Å; S126-E129 VanDerWaalsContact O-N 3.16Å |
| 130 | L | 94.7 | Very high | 90 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -89.8 | 139.9 | 179.8 | -70.8 | 172.4 | 0 | 0 | 0 | 112.6 | L64 I113 W125 L127 L132 | L64-L130 HydrophobicContact CB-CB 4.22Å; L64-L130 HydrophobicContact CD1-CD1 3.82Å; I113-L130 HydrophobicContact CD1-CD1 3.64Å; W125-L130 HydrophobicContact CB-CD1 4.07Å; W125-L130 HydrophobicContact CB-CD2 4.19Å; W125-L130 HydrophobicContact CB-CG 4.18Å; W125-L130 HydrophobicContact CD2-CD2 3.83Å; W125-L130 HydrophobicContact CE3-CD2 3.46Å; W125-L130 VanDerWaalsContact CE3-CD2 3.46Å; W125-L130 HydrophobicContact CE3-CG 4.18Å; W125-L130 HydrophobicContact CG-CD2 4.16Å; W125-L130 HydrophobicContact CZ3-CD2 4.09Å; L127-L130 HydrophobicContact CD1-CD1 4.47Å; L127-L130 PolarHBondContact O-N 3.5Å; L130-L132 PolarHBondContact O-N 2.86Å |
| 131 | I | 95.7 | Very high | 90.3 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 42% | 0.415 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.3 | 175.6 | -57.1 | 166.8 | 0 | 0 | 0 | 108.8 | P62 Y63 L64 T133 | P62-I131 HydrophobicContact CB-CD1 4.39Å; P62-I131 HydrophobicContact CG-CD1 4.43Å; P62-I131 WeakPolarHBondContact O-CB 3.32Å; P62-I131 PolarHBondContact O-N 3.38Å; Y63-I131 CarbonylContact C-O 3.6Å; Y63-I131 WeakPolarHBondContact CA-O 3.28Å; Y63-I131 HydrophobicContact CD1-CB 3.69Å; Y63-I131 HydrophobicContact CD1-CD1 4.39Å; Y63-I131 HydrophobicContact CD1-CG2 3.66Å; Y63-I131 HydrophobicContact CE1-CB 3.96Å; Y63-I131 HydrophobicContact CE1-CD1 4.01Å; Y63-I131 HydrophobicContact CE1-CG2 3.62Å; Y63-I131 HydrophobicContact CG-CB 4.41Å; L64-I131 PolarHBondContact N-O 2.68Å; I131-T133 PolarHBondContact O-N 2.69Å |
| 132 | L | 92.3 | Very high | 90.5 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 126 | 175.6 | -56 | -177.7 | 0 | 0 | 0 | 109.9 | L64 L104 L130 | L64-L132 HydrophobicContact CB-CD2 4.21Å; L64-L132 HydrophobicContact CD2-CD2 3.41Å; L64-L132 VanDerWaalsContact CD2-CD2 3.41Å; L64-L132 HydrophobicContact CG-CD2 4.45Å; L104-L132 HydrophobicContact CD1-CD2 3.96Å; L104-L132 HydrophobicContact CG-CD1 4.36Å; L104-L132 HydrophobicContact CG-CD2 4.39Å; L130-L132 PolarHBondContact O-N 2.86Å |
| 133 | T | 83.4 | Confident | 90.6 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 131.1 | 164.7 | 46 | 0 | 0 | 0 | 0 | 108.7 | Y63 L64 I131 | Y63-T133 HydrophobicContact CD1-CG2 3.77Å; Y63-T133 HydrophobicContact CG-CG2 4.35Å; L64-T133 PolarHBondContact O-OG1 2.79Å; I131-T133 PolarHBondContact O-N 2.69Å |
| 134 | E | 68.5 | Low | 90.5 | Very high | 247 Ų | 247 | 65.7 Ų | 65.7 | 100% | 1.154 | 34% | 0.337 | S | S | * | . | trans | -71.3 | 0 | 177.9 | -67.5 | -167.5 | 160.1 | 0 | 0 | 112.1 |
Retrieved 134 of 134 residues in 258.2 ms
(Link to these results)