| 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 | 36.1 | Very low | 32.8 | Very low | 247 Ų | 247 | 173.4 Ų | 173.4 | 100% | 1.217 | 88% | 0.881 | S | S | * | * | 0 | 106.1 | 0 | -159.2 | 169.8 | -178.9 | 0 | 0 | 107.7 | |||||
| 2 | A | 35.6 | Very low | 32.8 | Very low | 96 Ų | 96 | 169.1 Ų | 169.1 | 79% | 0.793 | 87% | 0.874 | S | S | * | * | trans | 55.8 | 91.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 3 | L | 26.8 | Very low | 32.7 | Very low | 170 Ų | 170 | 172 Ų | 172 | 89% | 0.89 | 88% | 0.877 | S | S | * | * | trans | -70.8 | 129.1 | 146.6 | -85.5 | 142.1 | 0 | 0 | 0 | 109.3 | ||||
| 4 | R | 34.2 | Very low | 32.6 | Very low | 244 Ų | 244 | 166.1 Ų | 166.1 | 92% | 0.921 | 87% | 0.867 | S | S | * | * | trans | -109.2 | 114.1 | 167.7 | -89.7 | -172.6 | 174.7 | -166.5 | -0.3 | 110.3 | ||||
| 5 | F | 31.5 | Very low | 32.4 | Very low | 204 Ų | 204 | 161.9 Ų | 161.9 | 90% | 0.895 | 86% | 0.857 | S | S | * | * | trans | -65.4 | 129.9 | 165.8 | -83.1 | -99.2 | 0 | 0 | 0 | 110.5 | ||||
| 6 | A | 34.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 157.9 Ų | 157.9 | 80% | 0.802 | 85% | 0.846 | S | S | * | * | trans | -111 | 107.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | R8 | A6-R8 PolarHBondContact O-N 3.43Š| ||
| 7 | S | 32.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 156.6 Ų | 156.6 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | -74.7 | 105.5 | 173.9 | 48 | 0 | 0 | 0 | 0 | 109.8 | R9 | S7-R9 PolarHBondContact O-N 3.19Š| ||
| 8 | R | 33.1 | Very low | 32 | Very low | 244 Ų | 244 | 160.2 Ų | 160.2 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -78.7 | 106.8 | 163.4 | -85 | -176.5 | 172.4 | -176.8 | -2 | 108.4 | A6 L10 | A6-R8 PolarHBondContact O-N 3.43Å; R8-L10 PolarHBondContact O-N 3.12Å | ||
| 9 | R | 32.8 | Very low | 31.9 | Very low | 239 Ų | 239 | 160.7 Ų | 160.7 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 124.7 | 166.5 | -75.9 | -176.1 | 175 | -165.6 | -1.5 | 109.1 | S7 A11 | S7-R9 PolarHBondContact O-N 3.19Å; R9-A11 PolarHBondContact O-N 3.35Å |
| 10 | L | 32 | Very low | 31.9 | Very low | 173 Ų | 173 | 164.3 Ų | 164.3 | 91% | 0.906 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 123.7 | 166.6 | -75.3 | 154.7 | 0 | 0 | 0 | 109 | R8 | R8-L10 PolarHBondContact O-N 3.12Š|
| 11 | A | 32.2 | Very low | 31.7 | Very low | 79 Ų | 79 | 166 Ų | 166 | 65% | 0.653 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 137 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R9 F13 | R9-A11 PolarHBondContact O-N 3.35Å; A11-F13 PolarHBondContact O-N 2.96Å |
| 12 | P | 32.5 | Very low | 31.7 | Very low | 122 Ų | 122 | 162 Ų | 162 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -82.1 | 110.4 | 160.1 | 31.2 | -24 | 0 | 0 | 0 | 107.6 | A14 | P12-A14 PolarHBondContact O-N 2.96Š| ||
| 13 | F | 31.1 | Very low | 31.7 | Very low | 207 Ų | 207 | 160.4 Ų | 160.4 | 91% | 0.908 | 81% | 0.813 | S | S | * | * | trans | -68.8 | 84.5 | 164.2 | -105.1 | -93.6 | 0 | 0 | 0 | 108 | A11 S15 | A11-F13 PolarHBondContact O-N 2.96Å; F13-S15 PolarHBondContact O-N 2.89Å | ||
| 14 | A | 31.5 | Very low | 32.2 | Very low | 89 Ų | 89 | 157.6 Ų | 157.6 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -73.7 | 105.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | P12 S16 | P12-A14 PolarHBondContact O-N 2.96Å; A14-S16 VanDerWaalsContact C-N 3.34Å; A14-S16 PolarHBondContact O-N 2.79Å | ||
| 15 | S | 29.5 | Very low | 32.5 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -63.9 | 90.9 | 170.4 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | F13 I17 | F13-S15 PolarHBondContact O-N 2.89Å; S15-I17 VanDerWaalsContact C-N 3.32Å; S15-I17 PolarHBondContact O-N 2.97Å | ||
| 16 | S | 30 | Very low | 33.1 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -73.9 | 93.9 | 162.8 | 93.4 | 0 | 0 | 0 | 0 | 107.5 | A14 R18 | A14-S16 VanDerWaalsContact C-N 3.34Å; A14-S16 PolarHBondContact O-N 2.79Å; S16-R18 PolarHBondContact O-N 3.38Å | ||
| 17 | I | 30.7 | Very low | 33.6 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | -66.8 | 87.2 | 160.6 | -62.5 | 172.4 | 0 | 0 | 0 | 105.5 | S15 H19 | S15-I17 VanDerWaalsContact C-N 3.32Å; S15-I17 PolarHBondContact O-N 2.97Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 2.94Å | ||
| 18 | R | 30.3 | Very low | 34.6 | Very low | 221 Ų | 221 | 152.4 Ų | 152.4 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -69.5 | 99 | 163.4 | -85.4 | -175.8 | 174 | -174.2 | -1.6 | 106.1 | S16 R20 | S16-R18 PolarHBondContact O-N 3.38Å; R18-R20 PolarHBondContact O-N 3.21Å | ||
| 19 | H | 29.7 | Very low | 35.8 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -54 | 98.7 | 156.4 | -77.2 | -50.5 | 0 | 0 | 0 | 107.2 | I17 K21 | I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 2.94Å; H19-K21 VanDerWaalsContact C-N 3.35Å; H19-K21 PolarHBondContact O-N 3.47Å | ||
| 20 | R | 30.8 | Very low | 36.9 | Very low | 231 Ų | 231 | 135.5 Ų | 135.5 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | trans | -56.2 | 108.3 | 159.9 | -87.1 | -177.4 | 171.6 | 178.1 | -2.3 | 104.7 | R18 I22 | R18-R20 PolarHBondContact O-N 3.21Å; R20-I22 VanDerWaalsContact C-N 3.28Å; R20-I22 PolarHBondContact O-N 2.95Å | ||
| 21 | K | 27.8 | Very low | 38.1 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 88% | 0.878 | 73% | 0.728 | S | S | * | * | trans | -55 | 102.1 | 163.8 | -75.4 | -174.9 | 175.6 | -176.7 | 0 | 105.6 | H19 G23 | H19-K21 VanDerWaalsContact C-N 3.35Å; H19-K21 PolarHBondContact O-N 3.47Å; K21-G23 PolarHBondContact O-N 3.39Å; K21-G23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | I | 36.4 | Very low | 39.3 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 83% | 0.831 | 71% | 0.71 | S | S | * | * | trans | -54.7 | 120.5 | 164.9 | -65.3 | 169.2 | 0 | 0 | 0 | 103.9 | R20 S24 | R20-I22 VanDerWaalsContact C-N 3.28Å; R20-I22 PolarHBondContact O-N 2.95Å; I22-S24 PolarHBondContact O-N 2.9Å | ||
| 23 | G | 35.9 | Very low | 40 | Very low | 63 Ų | 63 | 132.1 Ų | 132.1 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | trans | -48.1 | 129.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | K21 A25 | K21-G23 PolarHBondContact O-N 3.39Å; K21-G23 VanDerWaalsContact O-N 3.15Å; G23-A25 PolarHBondContact O-N 3.4Å | ||
| 24 | S | 38.2 | Very low | 41 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -40.7 | 117.8 | 167.2 | 158.3 | 0 | 0 | 0 | 0 | 108.3 | I22 T26 | I22-S24 PolarHBondContact O-N 2.9Å; S24-T26 PolarHBondContact O-N 3.39Å | ||
| 25 | A | 39.7 | Very low | 42.2 | Very low | 61 Ų | 61 | 127.6 Ų | 127.6 | 50% | 0.504 | 69% | 0.688 | S | S | . | * | trans | -51.4 | 107.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | G23 K27 | G23-A25 PolarHBondContact O-N 3.4Å; A25-K27 PolarHBondContact O-N 3.15Å; A25-K27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | T | 43.3 | Very low | 44 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | -57.6 | 118.5 | 172.1 | 19.7 | 0 | 0 | 0 | 0 | 106 | S24 Y28 | S24-T26 PolarHBondContact O-N 3.39Å; T26-Y28 PolarHBondContact O-N 2.8Å | ||
| 27 | K | 44.9 | Very low | 46.4 | Very low | 210 Ų | 210 | 130.1 Ų | 130.1 | 91% | 0.913 | 68% | 0.678 | S | S | * | * | trans | -63.9 | 85.4 | 167.2 | -91.4 | -173.9 | 172.6 | -177 | 0 | 107.2 | A25 V29 | A25-K27 PolarHBondContact O-N 3.15Å; A25-K27 VanDerWaalsContact O-N 3.11Å; K27-V29 PolarHBondContact O-N 3.15Å | ||
| 28 | Y | 54.6 | Low | 49.1 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 60% | 0.596 | 66% | 0.655 | S | S | * | * | trans | -86.7 | 106.2 | 175.2 | 177.8 | -100.6 | 0 | 0 | 0 | 107.7 | T26 P30 N387 | T26-Y28 PolarHBondContact O-N 2.8Å; Y28-P30 HydrophobicContact CD1-CG 4.49Å; Y28-P30 HydrophobicContact CE1-CB 4.41Å; Y28-P30 HydrophobicContact CE1-CG 3.75Å; Y28-N387 PolarHBondContact O-ND2 3.24Å | ||
| 29 | V | 57.4 | Low | 51.9 | Low | 97 Ų | 97 | 122.3 Ų | 122.3 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | trans | -125.5 | 102.2 | 170.5 | -175.5 | 0 | 0 | 0 | 0 | 105.9 | K27 L31 | K27-V29 PolarHBondContact O-N 3.15Å; V29-L31 PolarHBondContact O-N 3.49Å | ||
| 30 | P | 56.9 | Low | 55.1 | Low | 31 Ų | 31 | 115.7 Ų | 115.7 | 20% | 0.201 | 62% | 0.622 | C | S | . | * | trans | -61.1 | 122.1 | 174.6 | 15.5 | -18.6 | 0 | 0 | 0 | 108.8 | Y28 F32 | Y28-P30 HydrophobicContact CD1-CG 4.49Å; Y28-P30 HydrophobicContact CE1-CB 4.41Å; Y28-P30 HydrophobicContact CE1-CG 3.75Å; P30-F32 HydrophobicContact CB-CD2 4.48Å; P30-F32 HydrophobicContact CB-CE1 4.42Å; P30-F32 HydrophobicContact CB-CE2 3.87Å; P30-F32 HydrophobicContact CB-CZ 3.83Å; P30-F32 HydrophobicContact CG-CE2 3.65Å; P30-F32 HydrophobicContact CG-CZ 3.72Å; P30-F32 VanDerWaalsContact O-CD2 3.22Å; P30-F32 WeakPolarHBondContact O-CD2 3.44Å; P30-F32 PolarHBondContact O-N 2.98Å | ||
| 31 | L | 56.7 | Low | 58.2 | Low | 171 Ų | 171 | 109.9 Ų | 109.9 | 90% | 0.895 | 60% | 0.603 | S | S | * | * | trans | -80.7 | 100.7 | 176.7 | -78.1 | 163.1 | 0 | 0 | 0 | 108.5 | V29 G33 | V29-L31 PolarHBondContact O-N 3.49Å; L31-G33 PolarHBondContact O-N 2.99Å; L31-G33 VanDerWaalsContact O-N 3.12Å | ||
| 32 | F | 58.3 | Low | 61.5 | Low | 62 Ų | 62 | 103.4 Ų | 103.4 | 27% | 0.272 | 58% | 0.58 | S | S | . | * | trans | -81.3 | 26.8 | 179.4 | -64.6 | -77.2 | 0 | 0 | 0 | 113.7 | P30 T34 V35 K390 L394 L424 | P30-F32 HydrophobicContact CB-CD2 4.48Å; P30-F32 HydrophobicContact CB-CE1 4.42Å; P30-F32 HydrophobicContact CB-CE2 3.87Å; P30-F32 HydrophobicContact CB-CZ 3.83Å; P30-F32 HydrophobicContact CG-CE2 3.65Å; P30-F32 HydrophobicContact CG-CZ 3.72Å; P30-F32 VanDerWaalsContact O-CD2 3.22Å; P30-F32 WeakPolarHBondContact O-CD2 3.44Å; P30-F32 PolarHBondContact O-N 2.98Å; F32-T34 PolarHBondContact O-N 3.15Å; F32-V35 HydrophobicContact CB-CG2 4.01Å; F32-V35 HydrophobicContact CD1-CG2 3.88Å; F32-V35 HydrophobicContact CG-CG2 4.45Å; F32-K390 HydrophobicContact CE2-CD 4.35Å; F32-L394 HydrophobicContact CE1-CD1 3.69Å; F32-L394 HydrophobicContact CZ-CD1 4Å; F32-L424 HydrophobicContact CB-CD1 4.28Å; F32-L424 HydrophobicContact CD1-CD1 4.04Å; F32-L424 HydrophobicContact CD2-CD1 3.81Å; F32-L424 HydrophobicContact CE1-CD1 4.3Å; F32-L424 HydrophobicContact CE2-CD1 4.07Å; F32-L424 HydrophobicContact CG-CD1 3.78Å; F32-L424 HydrophobicContact CZ-CD1 4.3Å | ||
| 33 | G | 46.5 | Very low | 64.4 | Low | 71 Ų | 71 | 98.1 Ų | 98.1 | 73% | 0.732 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -6.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117 | L31 | L31-G33 PolarHBondContact O-N 2.99Å; L31-G33 VanDerWaalsContact O-N 3.12Å |
| 34 | T | 51.4 | Low | 67.3 | Low | 136 Ų | 136 | 98.8 Ų | 98.8 | 83% | 0.834 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.6 | 50.6 | 179.6 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | F32 H36 | F32-T34 PolarHBondContact O-N 3.15Å; T34-H36 PolarHBondContact O-N 3.46Å; T34-H36 VanDerWaalsContact O-N 3.12Å |
| 35 | V | 57.2 | Low | 70 | Confident | 65 Ų | 65 | 94 Ų | 94 | 39% | 0.394 | 51% | 0.513 | S | S | . | . | trans | -74.1 | 104.7 | 171 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | F32 M37 | F32-V35 HydrophobicContact CB-CG2 4.01Å; F32-V35 HydrophobicContact CD1-CG2 3.88Å; F32-V35 HydrophobicContact CG-CG2 4.45Å; V35-M37 HydrophobicContact CG1-CE 4.08Å; V35-M37 HydrophobicContact CG1-CG 3.63Å; V35-M37 PolarHBondContact O-N 3.01Å | ||
| 36 | H | 67.7 | Low | 72.4 | Confident | 188 Ų | 188 | 100.7 Ų | 100.7 | 87% | 0.87 | 53% | 0.534 | S | S | * | . | trans | -78.9 | 64.8 | -178.5 | -155.4 | -60.1 | 0 | 0 | 0 | 110.8 | T34 | T34-H36 PolarHBondContact O-N 3.46Å; T34-H36 VanDerWaalsContact O-N 3.12Å | ||
| 37 | M | 78.9 | Confident | 74.6 | Confident | 66 Ų | 66 | 97.8 Ų | 97.8 | 33% | 0.325 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 137.4 | 170.1 | -67.3 | -113.7 | -176.8 | 0 | 0 | 109.1 | V35 W57 I420 | V35-M37 HydrophobicContact CG1-CE 4.08Å; V35-M37 HydrophobicContact CG1-CG 3.63Å; V35-M37 PolarHBondContact O-N 3.01Å; M37-W57 HydrophobicContact CE-CH2 4.31Å; M37-W57 HydrophobicContact CG-CH2 4.3Å; M37-W57 HydrophobicContact SD-CH2 3.44Å; M37-W57 WeakPolarHBondContact SD-CH2 3.38Å; M37-W57 HydrophobicContact SD-CZ2 3.68Å; M37-I420 HydrophobicContact CE-CD1 3.34Å; M37-I420 HydrophobicContact CG-CD1 4.03Å; M37-I420 HydrophobicContact SD-CD1 3.22Å; M37-I420 WeakPolarHBondContact SD-CD1 3.48Å |
| 38 | P | 87.9 | Confident | 76.8 | Confident | 34 Ų | 34 | 88.3 Ų | 88.3 | 22% | 0.221 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.5 | 175.4 | 26.3 | -32.3 | 0 | 0 | 0 | 110.6 | T40 E55 N56 W57 | P38-T40 PolarHBondContact O-N 3.41Å; P38-E55 HydrophobicContact CG-CB 4.32Å; P38-N56 WeakPolarHBondContact CB-O 3.48Å; P38-N56 WeakPolarHBondContact CG-O 3.38Å; P38-W57 HydrophobicContact CG-CD2 3.78Å; P38-W57 VanDerWaalsContact CG-CE2 3.48Å; P38-W57 HydrophobicContact CG-CE3 4.4Å; P38-W57 HydrophobicContact CG-CG 4.08Å; P38-W57 HydrophobicContact CG-CZ2 3.91Å |
| 39 | E | 90.1 | Very high | 78.6 | Confident | 159 Ų | 159 | 82.3 Ų | 82.3 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 131.2 | 173.1 | -177.5 | -177.6 | -169.9 | 0 | 0 | 110 | K41 | E39-K41 PolarHBondContact O-N 3.35Š|
| 40 | T | 95.6 | Very high | 80.4 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 19% | 0.19 | 43% | 0.434 | C | S | . | . | trans | -72.6 | 111.8 | 169.7 | -39.4 | 0 | 0 | 0 | 0 | 109.1 | P38 V42 E55 I407 R417 | P38-T40 PolarHBondContact O-N 3.41Å; T40-V42 HydrophobicContact CG2-CG2 4.46Å; T40-E55 HydrophobicContact CG2-CG 4.02Å; T40-E55 PolarHBondContact OG1-OE1 2.69Å; T40-I407 HydrophobicContact CG2-CD1 4.44Å; T40-I407 HydrophobicContact CG2-CG1 4.33Å; T40-I407 HydrophobicContact CG2-CG2 4.25Å; T40-R417 HydrophobicContact CG2-CB 3.91Å; T40-R417 HydrophobicContact CG2-CG 4.15Å; T40-R417 WeakPolarHBondContact OG1-CG 3.25Å | ||
| 41 | K | 96.9 | Very high | 82.3 | Confident | 109 Ų | 109 | 78.5 Ų | 78.5 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.5 | 174.9 | -66.3 | -179.3 | 178.5 | 179.4 | 0 | 109.6 | E39 A53 S54 H232 | E39-K41 PolarHBondContact O-N 3.35Å; K41-A53 CarbonylContact O-C 3.59Å; K41-A53 VanDerWaalsContact O-CA 3.3Å; K41-A53 WeakPolarHBondContact O-CA 3.46Å; K41-S54 PolarHBondContact N-O 2.9Å; K41-S54 PolarHBondContact O-N 3.3Å; K41-H232 HydrophobicContact CB-CB 4.05Å; K41-H232 HydrophobicContact CD-CB 3.67Å; K41-H232 HydrophobicContact CG-CB 4.5Å; K41-H232 PolarHBondContact O-CE1 2.82Å; K41-H232 VanDerWaalsContact O-CE1 3.22Å |
| 42 | V | 97.3 | Very high | 84.3 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.3 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | T40 I52 A53 M411 | T40-V42 HydrophobicContact CG2-CG2 4.46Å; V42-I52 CarbonylContact C-O 3.57Å; V42-I52 VanDerWaalsContact CA-O 3.29Å; V42-I52 WeakPolarHBondContact CA-O 3.02Å; V42-A53 HydrophobicContact CG2-CB 4.11Å; V42-M411 HydrophobicContact CG1-CE 3.62Å; V42-M411 HydrophobicContact CG1-SD 4.45Å; V42-M411 HydrophobicContact CG2-CE 4.26Å; V42-M411 HydrophobicContact CG2-SD 4.01Å |
| 43 | T | 97.5 | Very high | 86.2 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 143.2 | 174.3 | -63.1 | 0 | 0 | 0 | 0 | 108.9 | I52 H232 | T43-I52 PolarHBondContact N-O 3.1Å; T43-I52 PolarHBondContact O-N 3.24Å; T43-H232 PolarHBondContact OG1-NE2 3.29Å |
| 44 | T | 96.7 | Very high | 88.6 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 47% | 0.466 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.9 | 171 | -56.4 | 0 | 0 | 0 | 0 | 107.8 | E46 F50 R51 | T44-E46 PolarHBondContact O-N 2.75Å; T44-F50 WeakPolarHBondContact CA-O 3.35Å; T44-R51 HydrophobicContact CG2-CG 4.2Å |
| 45 | L | 94.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | trans | -66.8 | 126.7 | 177.2 | -61.1 | -173.5 | 0 | 0 | 0 | 109.8 | S47 G49 F50 I52 A239 E240 | L45-S47 PolarHBondContact O-N 3.16Å; L45-G49 WeakPolarHBondContact O-CA 3.41Å; L45-G49 PolarHBondContact O-N 2.92Å; L45-F50 HydrophobicContact CB-CB 4.43Å; L45-F50 HydrophobicContact CD1-CB 4.05Å; L45-F50 HydrophobicContact CD1-CD1 4.22Å; L45-F50 HydrophobicContact CG-CB 4.32Å; L45-F50 PolarHBondContact N-O 3.5Å; L45-I52 HydrophobicContact CD1-CD1 4.22Å; L45-I52 HydrophobicContact CD2-CD1 3.35Å; L45-I52 HydrophobicContact CG-CD1 3.6Å; L45-A239 HydrophobicContact CD1-CB 4.48Å; L45-E240 WeakPolarHBondContact CD1-OE2 3.36Å; L45-E240 HydrophobicContact CD2-CB 4.3Å; L45-E240 VanDerWaalsContact CD2-OE2 3.27Å; L45-E240 WeakPolarHBondContact CD2-OE2 3.34Å | ||
| 46 | E | 89.6 | Confident | 92.6 | Very high | 201 Ų | 201 | 57.9 Ų | 57.9 | 94% | 0.939 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -26.1 | 178.5 | -63.5 | -173.4 | 170.4 | 0 | 0 | 112 | T44 | T44-E46 PolarHBondContact O-N 2.75Š|
| 47 | S | 89.2 | Confident | 93.8 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -41.9 | -177.2 | 49.1 | 0 | 0 | 0 | 0 | 113 | L45 E240 | L45-S47 PolarHBondContact O-N 3.16Å; S47-E240 WeakPolarHBondContact CB-OE1 3.45Å; S47-E240 PolarHBondContact OG-OE1 3.17Å; S47-E240 VanDerWaalsContact OG-OE1 3.05Å; S47-E240 PolarHBondContact OG-OE2 3.05Å |
| 48 | N | 92.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -146.9 | 3.1 | -170.2 | 67.3 | 7 | 0 | 0 | 0 | 115.8 | F50 A219 F243 G244 F246 A248 | N48-F50 VanDerWaalsContact C-N 3.28Å; N48-F50 PolarHBondContact O-N 3.07Å; N48-F50 WeakPolarHBondContact OD1-CB 3.1Å; N48-F50 PolarHBondContact OD1-N 2.83Å; N48-A219 HydrophobicContact CB-CB 3.89Å; N48-A219 WeakPolarHBondContact O-CB 3.32Å; N48-F243 PolarHBondContact ND2-O 2.9Å; N48-G244 WeakPolarHBondContact ND2-CA 3.39Å; N48-G244 PolarHBondContact ND2-O 3.26Å; N48-G244 VanDerWaalsContact ND2-O 3.16Å; N48-F246 PolarHBondContact ND2-O 3.29Å; N48-A248 HydrophobicContact CB-CB 4.02Å; N48-A248 VanDerWaalsContact O-CB 3.32Å; N48-A248 WeakPolarHBondContact O-CB 3.25Å |
| 49 | G | 92.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 27% | 0.268 | 30% | 0.299 | S | S | . | . | trans | 76.6 | 9.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L45 | L45-G49 WeakPolarHBondContact O-CA 3.41Å; L45-G49 PolarHBondContact O-N 2.92Å | ||
| 50 | F | 95 | Very high | 95 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -65.2 | 133.4 | 174.7 | -171.4 | -91.8 | 0 | 0 | 0 | 110.6 | T44 L45 N48 I52 A219 M222 L224 F243 | T44-F50 WeakPolarHBondContact CA-O 3.35Å; L45-F50 HydrophobicContact CB-CB 4.43Å; L45-F50 HydrophobicContact CD1-CB 4.05Å; L45-F50 HydrophobicContact CD1-CD1 4.22Å; L45-F50 HydrophobicContact CG-CB 4.32Å; L45-F50 PolarHBondContact N-O 3.5Å; N48-F50 VanDerWaalsContact C-N 3.28Å; N48-F50 PolarHBondContact O-N 3.07Å; N48-F50 WeakPolarHBondContact OD1-CB 3.1Å; N48-F50 PolarHBondContact OD1-N 2.83Å; F50-I52 HydrophobicContact CD1-CG1 4.12Å; F50-I52 HydrophobicContact CE1-CG1 4.24Å; F50-A219 HydrophobicContact CB-CB 4.04Å; F50-A219 HydrophobicContact CD2-CB 4.29Å; F50-M222 HydrophobicContact CD2-CB 3.84Å; F50-M222 HydrophobicContact CE2-CB 3.47Å; F50-M222 VanDerWaalsContact CE2-CB 3.47Å; F50-M222 HydrophobicContact CE2-CE 4.2Å; F50-M222 HydrophobicContact CE2-SD 4.42Å; F50-M222 HydrophobicContact CZ-CB 4.43Å; F50-L224 HydrophobicContact CE1-CB 3.48Å; F50-L224 VanDerWaalsContact CE1-CB 3.48Å; F50-L224 HydrophobicContact CZ-CB 3.8Å; F50-F243 HydrophobicContact CD1-CB 4.19Å; F50-F243 HydrophobicContact CD2-CB 4.26Å; F50-F243 HydrophobicContact CE1-CB 4.03Å; F50-F243 HydrophobicContact CE1-CD2 4.31Å; F50-F243 HydrophobicContact CE1-CG 4.05Å; F50-F243 HydrophobicContact CE2-CB 4.12Å; F50-F243 AromaticContact CE2-CD1 3.79Å; F50-F243 HydrophobicContact CE2-CD1 3.79Å; F50-F243 HydrophobicContact CE2-CE1 4.46Å; F50-F243 HydrophobicContact CE2-CG 4.05Å; F50-F243 HydrophobicContact CG-CB 4.29Å; F50-F243 HydrophobicContact CZ-CB 4.01Å; F50-F243 AromaticContact CZ-CD1 3.73Å; F50-F243 HydrophobicContact CZ-CD1 3.73Å; F50-F243 HydrophobicContact CZ-CD2 4.17Å; F50-F243 HydrophobicContact CZ-CE1 4.23Å; F50-F243 AromaticContact CZ-CG 3.71Å; F50-F243 HydrophobicContact CZ-CG 3.71Å | ||
| 51 | R | 97.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 18% | 0.177 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 137.5 | -174.1 | -70 | 176.4 | -70.3 | 157.7 | -1 | 111.1 | T44 P220 V223 L224 M411 | T44-R51 HydrophobicContact CG2-CG 4.2Å; R51-P220 PolarHBondContact NH2-O 3.24Å; R51-V223 HydrophobicContact CB-CG2 4.08Å; R51-V223 CarbonylContact O-C 3.38Å; R51-V223 WeakPolarHBondContact O-CA 3.49Å; R51-L224 PolarHBondContact O-N 2.71Å; R51-M411 PolarHBondContact NH1-O 3.07Å |
| 52 | I | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.4 | 177.8 | -58.2 | 129.4 | 0 | 0 | 0 | 108.1 | V42 T43 L45 F50 L224 L235 A239 | V42-I52 CarbonylContact C-O 3.57Å; V42-I52 VanDerWaalsContact CA-O 3.29Å; V42-I52 WeakPolarHBondContact CA-O 3.02Å; T43-I52 PolarHBondContact N-O 3.1Å; T43-I52 PolarHBondContact O-N 3.24Å; L45-I52 HydrophobicContact CD1-CD1 4.22Å; L45-I52 HydrophobicContact CD2-CD1 3.35Å; L45-I52 HydrophobicContact CG-CD1 3.6Å; F50-I52 HydrophobicContact CD1-CG1 4.12Å; F50-I52 HydrophobicContact CE1-CG1 4.24Å; I52-L224 CarbonylContact C-O 3.52Å; I52-L224 WeakPolarHBondContact CA-O 3.47Å; I52-L224 HydrophobicContact CG1-CB 4.4Å; I52-L224 HydrophobicContact CG1-CD2 4.48Å; I52-L235 HydrophobicContact CG2-CD2 3.6Å; I52-L235 HydrophobicContact CG2-CG 3.86Å; I52-A239 HydrophobicContact CD1-CB 3.53Å; I52-A239 HydrophobicContact CG1-CB 3.61Å |
| 53 | A | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | K41 V42 L224 S225 A226 I407 M411 | K41-A53 CarbonylContact O-C 3.59Å; K41-A53 VanDerWaalsContact O-CA 3.3Å; K41-A53 WeakPolarHBondContact O-CA 3.46Å; V42-A53 HydrophobicContact CG2-CB 4.11Å; A53-L224 PolarHBondContact N-O 3.14Å; A53-S225 CarbonylContact O-C 3.34Å; A53-S225 VanDerWaalsContact O-CA 3.31Å; A53-S225 WeakPolarHBondContact O-CA 3.45Å; A53-A226 PolarHBondContact O-N 2.7Å; A53-I407 HydrophobicContact CB-CG2 3.45Å; A53-I407 VanDerWaalsContact CB-CG2 3.45Å; A53-M411 HydrophobicContact CB-CG 3.81Å; A53-M411 HydrophobicContact CB-SD 4.33Å |
| 54 | S | 97.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 150.8 | 177.4 | 69.9 | 0 | 0 | 0 | 0 | 115.3 | K41 A226 H232 | K41-S54 PolarHBondContact N-O 2.9Å; K41-S54 PolarHBondContact O-N 3.3Å; S54-A226 CarbonylContact C-O 3.53Å; S54-A226 WeakPolarHBondContact CA-O 3.23Å; S54-A226 WeakPolarHBondContact CB-O 3.22Å; S54-H232 WeakPolarHBondContact OG-CB 3.37Å; S54-H232 PolarHBondContact OG-ND1 2.97Å |
| 55 | E | 96 | Very high | 95.2 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.6 | 170.4 | -74.2 | 179.1 | -163.6 | 0 | 0 | 111.4 | P38 T40 W57 A226 A227 G228 I403 I407 | P38-E55 HydrophobicContact CG-CB 4.32Å; T40-E55 HydrophobicContact CG2-CG 4.02Å; T40-E55 PolarHBondContact OG1-OE1 2.69Å; E55-W57 PolarHBondContact OE2-NE1 3.17Å; E55-A226 PolarHBondContact N-O 3.44Å; E55-A227 WeakPolarHBondContact O-CA 3.39Å; E55-G228 PolarHBondContact O-N 2.64Å; E55-I403 WeakPolarHBondContact OE2-CG2 3.42Å; E55-I407 HydrophobicContact CB-CD1 4.02Å; E55-I407 HydrophobicContact CG-CD1 3.66Å |
| 56 | N | 95.3 | Very high | 95.4 | Very high | 61 Ų | 61 | 40.7 Ų | 40.7 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 111.9 | 176.5 | -170.6 | -2 | 0 | 0 | 0 | 111.3 | P38 N58 G228 I230 | P38-N56 WeakPolarHBondContact CB-O 3.48Å; P38-N56 WeakPolarHBondContact CG-O 3.38Å; N56-N58 PolarHBondContact ND2-OD1 3.13Å; N56-N58 PolarHBondContact OD1-N 2.87Å; N56-N58 PolarHBondContact OD1-OD1 2.92Å; N56-G228 CarbonylContact C-O 3.55Å; N56-G228 VanDerWaalsContact CA-O 3.28Å; N56-G228 WeakPolarHBondContact CA-O 3.36Å; N56-G228 PolarHBondContact OD1-O 2.84Å; N56-I230 VanDerWaalsContact CB-O 3.24Å; N56-I230 WeakPolarHBondContact CB-O 3.18Å; N56-I230 VanDerWaalsContact CG-O 3.22Å; N56-I230 PolarHBondContact ND2-O 3.44Å; N56-I230 PolarHBondContact OD1-N 2.95Å |
| 57 | W | 93 | Very high | 95.8 | Very high | 84 Ų | 84 | 31.3 Ų | 31.3 | 32% | 0.318 | 18% | 0.178 | S | C | . | . | trans | -104.4 | 4.9 | 179.1 | -73.5 | 87.2 | 0 | 0 | 0 | 113.4 | M37 P38 E55 T59 G228 I403 | M37-W57 HydrophobicContact CE-CH2 4.31Å; M37-W57 HydrophobicContact CG-CH2 4.3Å; M37-W57 HydrophobicContact SD-CH2 3.44Å; M37-W57 WeakPolarHBondContact SD-CH2 3.38Å; M37-W57 HydrophobicContact SD-CZ2 3.68Å; P38-W57 HydrophobicContact CG-CD2 3.78Å; P38-W57 VanDerWaalsContact CG-CE2 3.48Å; P38-W57 HydrophobicContact CG-CE3 4.4Å; P38-W57 HydrophobicContact CG-CG 4.08Å; P38-W57 HydrophobicContact CG-CZ2 3.91Å; E55-W57 PolarHBondContact OE2-NE1 3.17Å; W57-T59 HydrophobicContact CB-CG2 4.14Å; W57-T59 PolarHBondContact O-N 3.19Å; W57-G228 PolarHBondContact N-O 3.43Å; W57-I403 HydrophobicContact CD2-CD1 4.29Å; W57-I403 HydrophobicContact CZ2-CD1 3.81Å | ||
| 58 | N | 92.6 | Very high | 96.1 | Very high | 139 Ų | 139 | 28.2 Ų | 28.2 | 74% | 0.743 | 16% | 0.157 | S | C | * | . | trans | 51.9 | 35.7 | -178.4 | -66.5 | -30 | 0 | 0 | 0 | 113.8 | N56 | N56-N58 PolarHBondContact ND2-OD1 3.13Å; N56-N58 PolarHBondContact OD1-N 2.87Å; N56-N58 PolarHBondContact OD1-OD1 2.92Å | ||
| 59 | T | 94.1 | Very high | 96.3 | Very high | 45 Ų | 45 | 29.9 Ų | 29.9 | 28% | 0.276 | 17% | 0.165 | S | C | . | . | trans | -92.7 | 152.3 | 177 | 53 | 0 | 0 | 0 | 0 | 111.3 | W57 T61 V130 G228 G229 | W57-T59 HydrophobicContact CB-CG2 4.14Å; W57-T59 PolarHBondContact O-N 3.19Å; T59-T61 PolarHBondContact O-N 3.35Å; T59-T61 PolarHBondContact OG1-O 2.99Å; T59-V130 VanDerWaalsContact O-CG2 3.29Å; T59-V130 WeakPolarHBondContact O-CG2 3.39Å; T59-G228 WeakPolarHBondContact OG1-CA 3.43Å; T59-G229 WeakPolarHBondContact O-CA 3.31Å; T59-G229 PolarHBondContact O-N 2.9Å; T59-G229 PolarHBondContact OG1-N 3.28Å; T59-G229 VanDerWaalsContact OG1-N 3.15Å | ||
| 60 | P | 95.5 | Very high | 96.3 | Very high | 104 Ų | 104 | 28.6 Ų | 28.6 | 68% | 0.675 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -70.8 | -14.9 | 177.2 | 29.5 | -35.8 | 0 | 0 | 0 | 113.5 | V130 | P60-V130 PolarHBondContact O-N 3.38Å; P60-V130 VanDerWaalsContact O-N 3.11Å |
| 61 | T | 97.3 | Very high | 96.3 | Very high | 59 Ų | 59 | 28.6 Ų | 28.6 | 36% | 0.362 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 160.5 | 176.6 | 58.7 | 0 | 0 | 0 | 0 | 111 | T59 C128 F129 G228 G229 | T59-T61 PolarHBondContact O-N 3.35Å; T59-T61 PolarHBondContact OG1-O 2.99Å; T61-C128 WeakPolarHBondContact CA-O 3.46Å; T61-F129 HydrophobicContact CG2-CD1 4.15Å; T61-F129 HydrophobicContact CG2-CE1 4.31Å; T61-G228 WeakPolarHBondContact O-CA 3.47Å; T61-G229 PolarHBondContact O-N 3.28Å |
| 62 | C | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.5 | 175.2 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | K127 C128 V130 A227 I230 | C62-K127 WeakPolarHBondContact O-CA 3.36Å; C62-C128 PolarHBondContact N-O 3.32Å; C62-C128 PolarHBondContact O-N 2.8Å; C62-C128 VanDerWaalsContact SG-SG 3.65Å; C62-V130 HydrophobicContact CB-CG2 4.25Å; C62-A227 CarbonylContact C-O 3.52Å; C62-A227 VanDerWaalsContact CA-O 3.32Å; C62-A227 WeakPolarHBondContact CA-O 3.32Å; C62-I230 HydrophobicContact CB-CD1 3.79Å; C62-I230 HydrophobicContact CB-CG1 3.71Å |
| 63 | T | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.3 | 164.7 | -58.4 | 0 | 0 | 0 | 0 | 107.6 | Y125 A126 K127 A226 A227 T400 T401 C404 | T63-Y125 HydrophobicContact CG2-CD2 4Å; T63-A126 WeakPolarHBondContact CA-O 3.47Å; T63-K127 HydrophobicContact CG2-CG 4.18Å; T63-A226 CarbonylContact O-C 3.5Å; T63-A226 VanDerWaalsContact O-CA 3.25Å; T63-A226 WeakPolarHBondContact O-CA 3.47Å; T63-A227 PolarHBondContact N-O 3.13Å; T63-A227 PolarHBondContact O-N 3.02Å; T63-T400 PolarHBondContact OG1-OG1 3.47Å; T63-T401 HydrophobicContact CG2-CG2 4.23Å; T63-T401 PolarHBondContact OG1-N 3.47Å; T63-T401 PolarHBondContact OG1-OG1 3.47Å; T63-C404 HydrophobicContact CG2-CB 3.93Å; T63-C404 PolarHBondContact O-SG 3.41Å |
| 64 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.3 | 173.2 | 60 | 0 | 0 | 0 | 0 | 108.9 | Y125 A126 L133 A136 V137 L140 L224 S225 A226 L235 | V64-Y125 CarbonylContact O-C 3.3Å; V64-Y125 VanDerWaalsContact O-CA 3.32Å; V64-Y125 WeakPolarHBondContact O-CA 3.34Å; V64-A126 HydrophobicContact CG1-CB 4.46Å; V64-A126 PolarHBondContact N-O 3.35Å; V64-A126 PolarHBondContact O-N 2.83Å; V64-L133 HydrophobicContact CB-CD1 4.01Å; V64-L133 HydrophobicContact CG1-CD1 4.06Å; V64-L133 HydrophobicContact CG2-CD1 4.35Å; V64-A136 HydrophobicContact CG1-CB 3.7Å; V64-V137 HydrophobicContact CG2-CG2 4.02Å; V64-L140 HydrophobicContact CG1-CD1 4.1Å; V64-L140 HydrophobicContact CG2-CD1 4.34Å; V64-L224 HydrophobicContact CG2-CD1 3.66Å; V64-L224 HydrophobicContact CG2-CG 4.31Å; V64-S225 WeakPolarHBondContact CA-O 3.49Å; V64-A226 HydrophobicContact CB-CB 4.14Å; V64-A226 HydrophobicContact CG2-CB 4.05Å; V64-L235 HydrophobicContact CG2-CD1 4.47Å |
| 65 | G | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 164.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | W67 Y124 L224 S225 | G65-W67 VanDerWaalsContact C-CE3 3.47Å; G65-W67 VanDerWaalsContact O-CE3 3.31Å; G65-W67 VanDerWaalsContact O-CZ3 3.23Å; G65-W67 WeakPolarHBondContact O-CZ3 3.38Å; G65-Y124 CarbonylContact C-O 3.57Å; G65-Y124 WeakPolarHBondContact CA-O 3.37Å; G65-L224 CarbonylContact O-C 3.49Å; G65-L224 WeakPolarHBondContact O-CA 3.38Å; G65-S225 PolarHBondContact N-O 3Å; G65-S225 PolarHBondContact O-N 3.32Å |
| 66 | V | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.1 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | V68 V123 Y124 L140 L144 M222 V223 L224 F243 | V66-V68 HydrophobicContact CG1-CG2 4.06Å; V66-V123 WeakPolarHBondContact O-CA 3.44Å; V66-Y124 PolarHBondContact N-O 3.14Å; V66-Y124 PolarHBondContact O-N 2.81Å; V66-L140 HydrophobicContact CG2-CB 4.41Å; V66-L144 HydrophobicContact CB-CD1 3.79Å; V66-L144 HydrophobicContact CG1-CD1 3.74Å; V66-L144 HydrophobicContact CG2-CD1 3.78Å; V66-M222 HydrophobicContact CG1-CB 4.35Å; V66-M222 HydrophobicContact CG1-CE 3.54Å; V66-V223 WeakPolarHBondContact CA-O 3.35Å; V66-L224 HydrophobicContact CG2-CD1 3.85Å; V66-F243 HydrophobicContact CG2-CE1 4.09Å; V66-F243 HydrophobicContact CG2-CZ 3.79Å |
| 67 | W | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.5 | 172.6 | -81 | -106.2 | 0 | 0 | 0 | 108.2 | G65 V123 M222 V223 S225 C404 E405 L412 | G65-W67 VanDerWaalsContact C-CE3 3.47Å; G65-W67 VanDerWaalsContact O-CE3 3.31Å; G65-W67 VanDerWaalsContact O-CZ3 3.23Å; G65-W67 WeakPolarHBondContact O-CZ3 3.38Å; W67-V123 VanDerWaalsContact CD1-CG2 3.43Å; W67-V123 HydrophobicContact CD2-CG1 3.9Å; W67-V123 HydrophobicContact CD2-CG2 4.37Å; W67-V123 VanDerWaalsContact CE2-CG1 3.41Å; W67-V123 HydrophobicContact CE3-CG1 4.42Å; W67-V123 HydrophobicContact CG-CG1 4.37Å; W67-V123 HydrophobicContact CG-CG2 4.03Å; W67-V123 HydrophobicContact CH2-CG1 4.03Å; W67-V123 HydrophobicContact CZ2-CG1 3.43Å; W67-V123 VanDerWaalsContact CZ2-CG1 3.43Å; W67-V123 HydrophobicContact CZ3-CG1 4.49Å; W67-M222 CarbonylContact O-C 3.53Å; W67-M222 WeakPolarHBondContact O-CA 3.29Å; W67-V223 HydrophobicContact CB-CB 4.47Å; W67-V223 PolarHBondContact N-O 2.66Å; W67-V223 PolarHBondContact O-N 3.14Å; W67-S225 VanDerWaalsContact CZ3-CB 3.47Å; W67-C404 HydrophobicContact CH2-CB 4.37Å; W67-C404 WeakPolarHBondContact CH2-SG 3.38Å; W67-E405 VanDerWaalsContact CZ2-CA 3.41Å; W67-E405 HydrophobicContact CZ2-CB 4.07Å; W67-E405 HydrophobicContact CZ2-CG 4.43Å; W67-L412 HydrophobicContact CB-CD1 3.81Å; W67-L412 HydrophobicContact CB-CG 4.09Å |
| 68 | V | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.9 | 178.3 | -167.6 | 0 | 0 | 0 | 0 | 108.1 | V66 V70 M121 T122 Y217 M222 | V66-V68 HydrophobicContact CG1-CG2 4.06Å; V68-V70 HydrophobicContact CB-CG1 3.84Å; V68-V70 HydrophobicContact CG1-CB 4.01Å; V68-V70 HydrophobicContact CG1-CG1 3.46Å; V68-V70 VanDerWaalsContact CG1-CG1 3.46Å; V68-V70 PolarHBondContact O-N 2.96Å; V68-M121 WeakPolarHBondContact O-CA 3.45Å; V68-T122 PolarHBondContact N-O 2.92Å; V68-T122 PolarHBondContact O-N 3.49Å; V68-Y217 HydrophobicContact CG1-CD1 4.39Å; V68-Y217 HydrophobicContact CG1-CD2 4.49Å; V68-Y217 HydrophobicContact CG1-CE1 4.45Å; V68-Y217 HydrophobicContact CG1-CG 4.4Å; V68-Y217 HydrophobicContact CG2-CD1 4.35Å; V68-Y217 HydrophobicContact CG2-CE1 4.11Å; V68-M222 HydrophobicContact CB-CG 4.49Å; V68-M222 HydrophobicContact CG1-CG 4.06Å; V68-M222 HydrophobicContact CG2-CE 4.25Å; V68-M222 HydrophobicContact CG2-CG 4.14Å |
| 69 | D | 95 | Very high | 95.6 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -72.9 | 69.1 | 170.6 | 171.7 | 42 | 0 | 0 | 0 | 109.7 | Y74 R221 L412 | D69-Y74 VanDerWaalsContact CG-OH 3.31Å; D69-Y74 PolarHBondContact OD1-OH 2.91Å; D69-Y74 PolarHBondContact OD2-OH 2.97Å; D69-R221 HydrophobicContact CB-CB 4.34Å; D69-R221 PolarHBondContact N-O 3.4Å; D69-R221 PolarHBondContact O-NE 3.46Å; D69-R221 PolarHBondContact O-NH2 2.98Å; D69-R221 IonicContact OD1-NH2 3.74Å; D69-R221 IonicContact OD2-CZ 3.73Å; D69-R221 IonicContact OD2-NE 3.54Å; D69-R221 PolarHBondContact OD2-NE 3.27Å; D69-R221 IonicContact OD2-NH2 3.28Å; D69-R221 PolarHBondContact OD2-NH2 2.83Å; D69-L412 HydrophobicContact CB-CD1 4.39Å; D69-L412 HydrophobicContact CB-CD2 4.1Å |
| 70 | V | 94.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -151.2 | 151.3 | 177.6 | 73.6 | 0 | 0 | 0 | 0 | 108.6 | V68 Y74 E120 M121 T122 F212 N216 Y217 | V68-V70 HydrophobicContact CB-CG1 3.84Å; V68-V70 HydrophobicContact CG1-CB 4.01Å; V68-V70 HydrophobicContact CG1-CG1 3.46Å; V68-V70 VanDerWaalsContact CG1-CG1 3.46Å; V68-V70 PolarHBondContact O-N 2.96Å; V70-Y74 HydrophobicContact CG2-CD2 4.44Å; V70-Y74 HydrophobicContact CG2-CG 4.46Å; V70-E120 PolarHBondContact N-O 3.16Å; V70-E120 CarbonylContact O-C 3.55Å; V70-M121 CarbonylContact O-C 3.57Å; V70-M121 WeakPolarHBondContact O-CA 3.44Å; V70-M121 PolarHBondContact O-N 3.44Å; V70-M121 VanDerWaalsContact O-N 3.08Å; V70-T122 PolarHBondContact O-N 3.03Å; V70-T122 PolarHBondContact O-OG1 2.92Å; V70-F212 HydrophobicContact CG2-CE1 3.63Å; V70-F212 HydrophobicContact CG2-CE2 4.46Å; V70-F212 HydrophobicContact CG2-CZ 3.45Å; V70-F212 VanDerWaalsContact CG2-CZ 3.45Å; V70-N216 HydrophobicContact CB-CB 4.33Å; V70-N216 HydrophobicContact CG2-CB 3.59Å; V70-Y217 HydrophobicContact CG1-CE2 3.78Å | ||
| 71 | G | 94.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -178.8 | -169.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R73 Y74 S118 R119 | G71-R73 PolarHBondContact O-N 3.29Å; G71-R73 VanDerWaalsContact O-N 3.12Å; G71-Y74 PolarHBondContact O-N 2.78Å; G71-S118 WeakPolarHBondContact CA-O 3.18Å; G71-R119 CarbonylContact C-O 3.55Å; G71-R119 VanDerWaalsContact C-O 3.3Å; G71-R119 WeakPolarHBondContact CA-O 3.18Å |
| 72 | S | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -62.6 | -22.4 | -176.7 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | Y74 E75 S118 R119 | S72-Y74 PolarHBondContact O-N 2.96Å; S72-E75 WeakPolarHBondContact CA-OE2 3.35Å; S72-E75 WeakPolarHBondContact CB-OE2 3.4Å; S72-E75 VanDerWaalsContact O-CB 3.32Å; S72-E75 WeakPolarHBondContact O-CB 3.45Å; S72-E75 PolarHBondContact O-N 2.86Å; S72-E75 VanDerWaalsContact O-N 3.12Å; S72-S118 PolarHBondContact N-O 3.39Å; S72-R119 PolarHBondContact N-O 3.41Å; S72-R119 WeakPolarHBondContact OG-CG 3.21Å |
| 73 | R | 95.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 3% | 0.034 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -64.2 | -25.4 | 173.7 | -168.5 | -178.8 | 178.9 | 164.6 | -0.8 | 112.7 | G71 E75 R119 E120 P189 L190 L259 Q260 C262 D344 | G71-R73 PolarHBondContact O-N 3.29Å; G71-R73 VanDerWaalsContact O-N 3.12Å; R73-E75 VanDerWaalsContact C-N 3.31Å; R73-R119 WeakPolarHBondContact CB-O 3.21Å; R73-R119 PolarHBondContact N-O 3.31Å; R73-E120 HydrophobicContact CB-CG 4.37Å; R73-E120 VanDerWaalsContact CD-OE1 3.28Å; R73-E120 WeakPolarHBondContact CD-OE1 3.41Å; R73-E120 IonicContact CZ-OE1 3.88Å; R73-E120 IonicContact NE-OE1 3.91Å; R73-E120 IonicContact NH1-OE1 3.48Å; R73-E120 PolarHBondContact NH1-OE1 3.34Å; R73-P189 HydrophobicContact CG-CB 4.01Å; R73-P189 VanDerWaalsContact O-CB 3.29Å; R73-P189 WeakPolarHBondContact O-CB 3.17Å; R73-L190 HydrophobicContact CB-CD2 4.31Å; R73-L190 HydrophobicContact CG-CD2 4.1Å; R73-L190 HydrophobicContact CG-CG 4.15Å; R73-L259 HydrophobicContact CG-CD2 4.02Å; R73-Q260 PolarHBondContact NH2-O 2.78Å; R73-C262 PolarHBondContact NH2-SG 2.92Å; R73-D344 IonicContact CZ-OD1 3.6Å; R73-D344 VanDerWaalsContact CZ-OD1 3.25Å; R73-D344 IonicContact NH1-OD1 3.69Å; R73-D344 PolarHBondContact NH1-OD1 3.21Å; R73-D344 IonicContact NH2-OD1 2.92Å; R73-D344 PolarHBondContact NH2-OD1 2.87Å; R73-D344 IonicContact NH2-OD2 3.48Å; R73-D344 PolarHBondContact NH2-OD2 3.03Å |
| 74 | Y | 93.7 | Very high | 95.6 | Very high | 32 Ų | 32 | 25 Ų | 25 | 13% | 0.125 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -89.7 | 2.5 | 178.2 | -65.2 | -85.1 | 0 | 0 | 0 | 113 | D69 V70 G71 S72 R221 P257 L259 | D69-Y74 VanDerWaalsContact CG-OH 3.31Å; D69-Y74 PolarHBondContact OD1-OH 2.91Å; D69-Y74 PolarHBondContact OD2-OH 2.97Å; V70-Y74 HydrophobicContact CG2-CD2 4.44Å; V70-Y74 HydrophobicContact CG2-CG 4.46Å; G71-Y74 PolarHBondContact O-N 2.78Å; S72-Y74 PolarHBondContact O-N 2.96Å; Y74-R221 PolarHBondContact OH-NH2 2.85Å; Y74-P257 HydrophobicContact CD1-CB 4.15Å; Y74-P257 HydrophobicContact CE1-CB 4.41Å; Y74-L259 HydrophobicContact CD1-CD2 4.09Å; Y74-L259 HydrophobicContact CE1-CD2 3.37Å; Y74-L259 HydrophobicContact CE1-CG 3.8Å; Y74-L259 HydrophobicContact CE2-CD2 3.98Å; Y74-L259 WeakPolarHBondContact OH-CD1 3.47Å; Y74-L259 WeakPolarHBondContact OH-CG 3.08Å |
| 75 | E | 94.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | trans | -85.5 | 156.3 | 175.6 | -58 | 174.2 | 153.8 | 0 | 0 | 111.1 | S72 R73 N80 G81 V82 A83 R192 F212 | S72-E75 WeakPolarHBondContact CA-OE2 3.35Å; S72-E75 WeakPolarHBondContact CB-OE2 3.4Å; S72-E75 VanDerWaalsContact O-CB 3.32Å; S72-E75 WeakPolarHBondContact O-CB 3.45Å; S72-E75 PolarHBondContact O-N 2.86Å; S72-E75 VanDerWaalsContact O-N 3.12Å; R73-E75 VanDerWaalsContact C-N 3.31Å; E75-N80 WeakPolarHBondContact OE2-CA 3.33Å; E75-N80 PolarHBondContact OE2-ND2 3.39Å; E75-G81 PolarHBondContact OE1-N 2.9Å; E75-G81 PolarHBondContact OE2-N 3.11Å; E75-V82 HydrophobicContact CG-CG1 3.94Å; E75-V82 WeakPolarHBondContact OE1-CG1 3.39Å; E75-V82 PolarHBondContact OE1-N 3.4Å; E75-A83 VanDerWaalsContact OE1-CB 3.22Å; E75-A83 WeakPolarHBondContact OE1-CB 3.43Å; E75-A83 PolarHBondContact OE1-N 2.93Å; E75-R192 PolarHBondContact O-NH1 2.87Å; E75-F212 HydrophobicContact CG-CE2 3.9Å; E75-F212 HydrophobicContact CG-CZ 4.21Å | ||
| 76 | T | 92.5 | Very high | 95.3 | Very high | 74 Ų | 74 | 25.2 Ų | 25.2 | 45% | 0.454 | 12% | 0.124 | S | C | . | . | trans | -85.8 | 168.4 | 163.7 | 71.4 | 0 | 0 | 0 | 0 | 109.9 | H78 N79 N80 | T76-H78 PolarHBondContact O-N 2.87Å; T76-H78 PolarHBondContact OG1-N 3.16Å; T76-N79 WeakPolarHBondContact CA-OD1 3.09Å; T76-N79 WeakPolarHBondContact CB-OD1 3.32Å; T76-N79 PolarHBondContact N-OD1 3.15Å; T76-N79 PolarHBondContact O-N 2.76Å; T76-N79 PolarHBondContact O-OD1 3.47Å; T76-N79 VanDerWaalsContact O-OD1 3.13Å; T76-N79 VanDerWaalsContact OG1-CG 3.32Å; T76-N79 PolarHBondContact OG1-N 3.25Å; T76-N79 PolarHBondContact OG1-OD1 2.94Å; T76-N80 PolarHBondContact O-N 3.42Å; T76-N80 VanDerWaalsContact O-N 3.1Å | ||
| 77 | E | 93.1 | Very high | 95.2 | Very high | 138 Ų | 138 | 26.5 Ų | 26.5 | 65% | 0.645 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -61.8 | -32.1 | 175.4 | -168.3 | 171.2 | 176.1 | 0 | 0 | 112.6 | N200 | E77-N200 PolarHBondContact O-ND2 2.77Š|
| 78 | H | 94.1 | Very high | 95 | Very high | 158 Ų | 158 | 27.9 Ų | 27.9 | 73% | 0.731 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -79 | -30.7 | -177.8 | -63.9 | -54.1 | 0 | 0 | 0 | 114.2 | T76 N200 | T76-H78 PolarHBondContact O-N 2.87Å; T76-H78 PolarHBondContact OG1-N 3.16Å; H78-N200 PolarHBondContact O-ND2 2.62Å |
| 79 | N | 94.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -106.8 | 14.6 | 179.2 | 72.8 | -15.4 | 0 | 0 | 0 | 112.8 | T76 G81 V82 L204 | T76-N79 WeakPolarHBondContact CA-OD1 3.09Å; T76-N79 WeakPolarHBondContact CB-OD1 3.32Å; T76-N79 PolarHBondContact N-OD1 3.15Å; T76-N79 PolarHBondContact O-N 2.76Å; T76-N79 PolarHBondContact O-OD1 3.47Å; T76-N79 VanDerWaalsContact O-OD1 3.13Å; T76-N79 VanDerWaalsContact OG1-CG 3.32Å; T76-N79 PolarHBondContact OG1-N 3.25Å; T76-N79 PolarHBondContact OG1-OD1 2.94Å; N79-G81 PolarHBondContact O-N 3.46Å; N79-V82 HydrophobicContact CB-CB 4.37Å; N79-V82 HydrophobicContact CB-CG1 4.2Å; N79-V82 WeakPolarHBondContact O-CB 3.5Å; N79-V82 WeakPolarHBondContact O-CG1 3.34Å; N79-V82 PolarHBondContact O-N 2.89Å; N79-L204 HydrophobicContact CB-CD2 4.23Å |
| 80 | N | 96.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 128.7 | 177.5 | 174.4 | -136.9 | 0 | 0 | 0 | 110.6 | E75 T76 T193 G196 P197 N200 | E75-N80 WeakPolarHBondContact OE2-CA 3.33Å; E75-N80 PolarHBondContact OE2-ND2 3.39Å; T76-N80 PolarHBondContact O-N 3.42Å; T76-N80 VanDerWaalsContact O-N 3.1Å; N80-T193 PolarHBondContact ND2-O 3.18Å; N80-G196 WeakPolarHBondContact OD1-CA 3.36Å; N80-P197 VanDerWaalsContact OD1-CD 3.26Å; N80-P197 WeakPolarHBondContact OD1-CD 3.42Å; N80-N200 WeakPolarHBondContact O-CB 3.27Å; N80-N200 PolarHBondContact O-ND2 3.19Å |
| 81 | G | 96.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -7.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E75 N79 A83 H84 F85 L195 | E75-G81 PolarHBondContact OE1-N 2.9Å; E75-G81 PolarHBondContact OE2-N 3.11Å; N79-G81 PolarHBondContact O-N 3.46Å; G81-A83 PolarHBondContact O-N 3.34Å; G81-H84 PolarHBondContact O-N 3.25Å; G81-F85 WeakPolarHBondContact O-CB 3.39Å; G81-F85 PolarHBondContact O-N 3.49Å; G81-L195 WeakPolarHBondContact CA-O 3.36Å |
| 82 | V | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.8 | -33.2 | -179 | 70.5 | 0 | 0 | 0 | 0 | 113 | E75 N79 F85 L86 L204 M209 F212 | E75-V82 HydrophobicContact CG-CG1 3.94Å; E75-V82 WeakPolarHBondContact OE1-CG1 3.39Å; E75-V82 PolarHBondContact OE1-N 3.4Å; N79-V82 HydrophobicContact CB-CB 4.37Å; N79-V82 HydrophobicContact CB-CG1 4.2Å; N79-V82 WeakPolarHBondContact O-CB 3.5Å; N79-V82 WeakPolarHBondContact O-CG1 3.34Å; N79-V82 PolarHBondContact O-N 2.89Å; V82-F85 PolarHBondContact O-N 2.86Å; V82-L86 WeakPolarHBondContact O-CB 3.17Å; V82-L86 PolarHBondContact O-N 3.11Å; V82-L204 HydrophobicContact CB-CD1 4.36Å; V82-L204 HydrophobicContact CB-CD2 4.19Å; V82-L204 HydrophobicContact CG2-CD2 4.43Å; V82-M209 HydrophobicContact CG2-CB 4.47Å; V82-M209 HydrophobicContact CG2-CG 3.81Å; V82-F212 HydrophobicContact CG1-CB 4.24Å; V82-F212 HydrophobicContact CG1-CD1 4.2Å; V82-F212 HydrophobicContact CG1-CD2 3.44Å; V82-F212 VanDerWaalsContact CG1-CD2 3.44Å; V82-F212 HydrophobicContact CG1-CE1 4.41Å; V82-F212 HydrophobicContact CG1-CE2 3.69Å; V82-F212 HydrophobicContact CG1-CG 3.71Å; V82-F212 HydrophobicContact CG1-CZ 4.16Å; V82-F212 HydrophobicContact CG2-CB 4.06Å; V82-F212 HydrophobicContact CG2-CG 4.3Å |
| 83 | A | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.3 | -45.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E75 G81 L86 E87 T117 F212 | E75-A83 VanDerWaalsContact OE1-CB 3.22Å; E75-A83 WeakPolarHBondContact OE1-CB 3.43Å; E75-A83 PolarHBondContact OE1-N 2.93Å; G81-A83 PolarHBondContact O-N 3.34Å; A83-L86 WeakPolarHBondContact O-CB 3.48Å; A83-L86 PolarHBondContact O-N 3.39Å; A83-E87 PolarHBondContact O-N 3.12Å; A83-T117 HydrophobicContact CB-CG2 3.8Å; A83-F212 HydrophobicContact CB-CE1 4.07Å; A83-F212 HydrophobicContact CB-CZ 4.09Å |
| 84 | H | 96.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.06 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 173.8 | -172.1 | -103.8 | 0 | 0 | 0 | 111.7 | G81 L86 E87 H88 E164 I194 L195 | G81-H84 PolarHBondContact O-N 3.25Å; H84-L86 VanDerWaalsContact C-N 3.28Å; H84-L86 PolarHBondContact O-N 3.43Å; H84-E87 VanDerWaalsContact O-CB 3.3Å; H84-E87 WeakPolarHBondContact O-CB 3.45Å; H84-E87 PolarHBondContact O-N 3.45Å; H84-E87 VanDerWaalsContact O-N 3.16Å; H84-H88 AromaticContact CE1-CD2 3.54Å; H84-H88 AromaticContact CE1-NE2 3.11Å; H84-H88 PolarHBondContact CE1-NE2 3.15Å; H84-H88 AromaticContact ND1-CD2 3.9Å; H84-H88 AromaticContact ND1-NE2 3.89Å; H84-H88 AromaticContact NE2-CD2 3.95Å; H84-H88 AromaticContact NE2-NE2 3.55Å; H84-H88 PolarHBondContact O-CD2 3.39Å; H84-H88 PolarHBondContact O-N 2.84Å; H84-E164 IonicContact CE1-OE1 3.59Å; H84-E164 IonicContact CE1-OE2 3.67Å; H84-E164 PolarHBondContact CE1-OE2 2.94Å; H84-E164 IonicContact NE2-OE1 2.77Å; H84-E164 IonicContact NE2-OE2 2.85Å; H84-I194 HydrophobicContact CB-CG2 4.29Å; H84-L195 WeakPolarHBondContact CE1-CD2 3.47Å; H84-L195 WeakPolarHBondContact ND1-CD2 3.36Å |
| 85 | F | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 175.6 | -149.5 | -53.1 | 0 | 0 | 0 | 111.3 | G81 V82 E87 H88 M89 V154 E157 R158 I161 V201 L204 M209 | G81-F85 WeakPolarHBondContact O-CB 3.39Å; G81-F85 PolarHBondContact O-N 3.49Å; V82-F85 PolarHBondContact O-N 2.86Å; F85-E87 VanDerWaalsContact C-N 3.3Å; F85-E87 PolarHBondContact O-N 3.05Å; F85-H88 WeakPolarHBondContact O-CB 3.12Å; F85-H88 PolarHBondContact O-N 3.11Å; F85-M89 HydrophobicContact CD1-CG 3.77Å; F85-M89 HydrophobicContact CE1-CG 3.92Å; F85-M89 HydrophobicContact CE1-SD 4.12Å; F85-M89 WeakPolarHBondContact O-CG 3.46Å; F85-M89 PolarHBondContact O-N 3.01Å; F85-V154 HydrophobicContact CE1-CG1 3.97Å; F85-V154 HydrophobicContact CZ-CG1 3.85Å; F85-V154 WeakPolarHBondContact CZ-O 3.4Å; F85-E157 HydrophobicContact CE1-CB 4.19Å; F85-R158 HydrophobicContact CE2-CB 4.13Å; F85-R158 HydrophobicContact CE2-CG 4.21Å; F85-R158 HydrophobicContact CZ-CB 3.87Å; F85-R158 HydrophobicContact CZ-CG 4.44Å; F85-I161 HydrophobicContact CB-CD1 4.19Å; F85-I161 HydrophobicContact CD1-CD1 3.83Å; F85-I161 HydrophobicContact CD2-CD1 3.59Å; F85-I161 HydrophobicContact CE1-CD1 4Å; F85-I161 HydrophobicContact CE2-CD1 3.79Å; F85-I161 HydrophobicContact CG-CD1 3.6Å; F85-I161 HydrophobicContact CZ-CD1 3.98Å; F85-V201 HydrophobicContact CD2-CG1 4.45Å; F85-V201 HydrophobicContact CE2-CG1 4.31Å; F85-L204 HydrophobicContact CD2-CB 4.46Å; F85-L204 HydrophobicContact CD2-CD1 4.16Å; F85-M209 HydrophobicContact CB-SD 4.42Å; F85-M209 HydrophobicContact CD1-CE 4.15Å; F85-M209 HydrophobicContact CD1-SD 3.65Å; F85-M209 HydrophobicContact CE1-CE 4.28Å; F85-M209 HydrophobicContact CE1-SD 4.32Å; F85-M209 HydrophobicContact CG-SD 4.25Å |
| 86 | L | 94.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | 177.7 | 175.1 | 60.6 | 0 | 0 | 0 | 112 | V82 A83 H84 M89 A90 F149 F212 I213 Y217 | V82-L86 WeakPolarHBondContact O-CB 3.17Å; V82-L86 PolarHBondContact O-N 3.11Å; A83-L86 WeakPolarHBondContact O-CB 3.48Å; A83-L86 PolarHBondContact O-N 3.39Å; H84-L86 VanDerWaalsContact C-N 3.28Å; H84-L86 PolarHBondContact O-N 3.43Å; L86-M89 PolarHBondContact O-N 3Å; L86-A90 PolarHBondContact O-N 2.73Å; L86-F149 HydrophobicContact CD1-CE1 3.66Å; L86-F149 HydrophobicContact CD1-CZ 3.62Å; L86-F212 HydrophobicContact CD2-CD1 4.06Å; L86-I213 HydrophobicContact CD1-CD1 3.48Å; L86-I213 VanDerWaalsContact CD1-CD1 3.48Å; L86-I213 HydrophobicContact CD1-CG1 3.85Å; L86-I213 HydrophobicContact CD2-CD1 4.2Å; L86-I213 HydrophobicContact CD2-CG1 3.59Å; L86-I213 HydrophobicContact CG-CG1 4.4Å; L86-Y217 HydrophobicContact CD2-CE1 4.47Å; L86-Y217 HydrophobicContact CD2-CE2 3.72Å; L86-Y217 VanDerWaalsContact CD2-OH 3.23Å; L86-Y217 WeakPolarHBondContact CD2-OH 3.36Å |
| 87 | E | 94.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | 172.7 | -175.5 | -171.4 | 155.3 | 0 | 0 | 112 | A83 H84 F85 M89 A90 A115 Y116 T117 | A83-E87 PolarHBondContact O-N 3.12Å; H84-E87 VanDerWaalsContact O-CB 3.3Å; H84-E87 WeakPolarHBondContact O-CB 3.45Å; H84-E87 PolarHBondContact O-N 3.45Å; H84-E87 VanDerWaalsContact O-N 3.16Å; F85-E87 VanDerWaalsContact C-N 3.3Å; F85-E87 PolarHBondContact O-N 3.05Å; E87-M89 PolarHBondContact O-N 2.76Å; E87-A90 VanDerWaalsContact O-CB 3.29Å; E87-A90 WeakPolarHBondContact O-CB 3.33Å; E87-A90 PolarHBondContact O-N 3.04Å; E87-A90 VanDerWaalsContact O-N 3.12Å; E87-A115 HydrophobicContact CG-CB 3.69Å; E87-Y116 WeakPolarHBondContact OE1-CA 3.48Å; E87-T117 WeakPolarHBondContact OE2-CB 3.19Å; E87-T117 PolarHBondContact OE2-N 2.85Å; E87-T117 PolarHBondContact OE2-OG1 3.44Å |
| 88 | H | 93.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 15% | 0.148 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58 | -39.2 | 176.4 | -82.9 | -110.5 | 0 | 0 | 0 | 112.4 | H84 F85 K92 E157 I161 E164 | H84-H88 AromaticContact CE1-CD2 3.54Å; H84-H88 AromaticContact CE1-NE2 3.11Å; H84-H88 PolarHBondContact CE1-NE2 3.15Å; H84-H88 AromaticContact ND1-CD2 3.9Å; H84-H88 AromaticContact ND1-NE2 3.89Å; H84-H88 AromaticContact NE2-CD2 3.95Å; H84-H88 AromaticContact NE2-NE2 3.55Å; H84-H88 PolarHBondContact O-CD2 3.39Å; H84-H88 PolarHBondContact O-N 2.84Å; F85-H88 WeakPolarHBondContact O-CB 3.12Å; F85-H88 PolarHBondContact O-N 3.11Å; H88-K92 WeakPolarHBondContact O-CE 3.48Å; H88-K92 VanDerWaalsContact O-CG 3.31Å; H88-K92 WeakPolarHBondContact O-CG 3.3Å; H88-E157 IonicContact ND1-OE2 2.97Å; H88-E157 PolarHBondContact ND1-OE2 3.12Å; H88-I161 HydrophobicContact CB-CD1 4.22Å; H88-E164 IonicContact CE1-OE2 3.72Å; H88-E164 PolarHBondContact CE1-OE2 3.36Å; H88-E164 IonicContact NE2-OE2 2.91Å; H88-E164 PolarHBondContact NE2-OE2 3.11Å; H88-E164 VanDerWaalsContact NE2-OE2 3.13Å |
| 89 | M | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -75.7 | -22.6 | -179.2 | -69.2 | -59.1 | -53.6 | 0 | 0 | 113.4 | F85 L86 E87 F91 K92 F149 Q153 V154 E157 M209 | F85-M89 HydrophobicContact CD1-CG 3.77Å; F85-M89 HydrophobicContact CE1-CG 3.92Å; F85-M89 HydrophobicContact CE1-SD 4.12Å; F85-M89 WeakPolarHBondContact O-CG 3.46Å; F85-M89 PolarHBondContact O-N 3.01Å; L86-M89 PolarHBondContact O-N 3Å; E87-M89 PolarHBondContact O-N 2.76Å; M89-F91 PolarHBondContact O-N 2.99Å; M89-F91 VanDerWaalsContact O-N 3.14Å; M89-K92 HydrophobicContact CE-CB 4.26Å; M89-K92 PolarHBondContact O-N 3.34Å; M89-K92 HydrophobicContact SD-CG 4.35Å; M89-F149 HydrophobicContact CB-CD1 4.17Å; M89-F149 HydrophobicContact CB-CE1 3.88Å; M89-F149 HydrophobicContact CE-CD1 4.44Å; M89-F149 HydrophobicContact CG-CD1 4.46Å; M89-Q153 HydrophobicContact CE-CB 3.95Å; M89-V154 HydrophobicContact CE-CG2 3.81Å; M89-V154 HydrophobicContact SD-CG2 4.07Å; M89-E157 HydrophobicContact SD-CB 3.95Å; M89-E157 HydrophobicContact SD-CG 3.76Å; M89-M209 HydrophobicContact CB-SD 4.32Å; M89-M209 HydrophobicContact CG-CE 4.37Å; M89-M209 HydrophobicContact CG-SD 3.73Å |
| 90 | A | 89.8 | Confident | 93.3 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.9 | -31.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L86 E87 Y124 I143 | L86-A90 PolarHBondContact O-N 2.73Å; E87-A90 VanDerWaalsContact O-CB 3.29Å; E87-A90 WeakPolarHBondContact O-CB 3.33Å; E87-A90 PolarHBondContact O-N 3.04Å; E87-A90 VanDerWaalsContact O-N 3.12Å; A90-Y124 HydrophobicContact CB-CD1 4.14Å; A90-Y124 HydrophobicContact CB-CE1 3.48Å; A90-Y124 VanDerWaalsContact CB-CE1 3.48Å; A90-I143 HydrophobicContact CB-CG2 3.78Å; A90-I143 WeakPolarHBondContact O-CG2 3.42Å |
| 91 | F | 87.6 | Confident | 93.1 | Very high | 43 Ų | 43 | 36 Ų | 36 | 19% | 0.189 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.7 | -178.8 | -53.2 | -51.2 | 0 | 0 | 0 | 114.5 | M89 G93 L113 A115 Y124 I143 | M89-F91 PolarHBondContact O-N 2.99Å; M89-F91 VanDerWaalsContact O-N 3.14Å; F91-G93 VanDerWaalsContact C-N 3.26Å; F91-G93 PolarHBondContact O-N 3.4Å; F91-L113 HydrophobicContact CD1-CD2 3.5Å; F91-L113 HydrophobicContact CD1-CG 4.12Å; F91-L113 HydrophobicContact CE1-CD1 4.2Å; F91-L113 HydrophobicContact CE1-CD2 3.43Å; F91-L113 VanDerWaalsContact CE1-CD2 3.43Å; F91-L113 HydrophobicContact CE1-CG 3.55Å; F91-L113 HydrophobicContact CZ-CD2 4.47Å; F91-L113 HydrophobicContact CZ-CG 4.2Å; F91-A115 HydrophobicContact CE2-CB 3.72Å; F91-A115 HydrophobicContact CZ-CB 3.52Å; F91-Y124 HydrophobicContact CZ-CD1 4.39Å; F91-I143 HydrophobicContact CD1-CD1 4.24Å; F91-I143 HydrophobicContact CE1-CD1 4.29Å |
| 92 | K | 91.9 | Very high | 93 | Very high | 44 Ų | 44 | 36.2 Ų | 36.2 | 19% | 0.191 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -91.3 | 20 | -175.8 | -51.7 | -63 | 157.7 | 162.5 | 0 | 114 | H88 M89 E157 | H88-K92 WeakPolarHBondContact O-CE 3.48Å; H88-K92 VanDerWaalsContact O-CG 3.31Å; H88-K92 WeakPolarHBondContact O-CG 3.3Å; M89-K92 HydrophobicContact CE-CB 4.26Å; M89-K92 PolarHBondContact O-N 3.34Å; M89-K92 HydrophobicContact SD-CG 4.35Å; K92-E157 HydrophobicContact CD-CG 4.09Å; K92-E157 WeakPolarHBondContact CD-OE1 3.38Å; K92-E157 WeakPolarHBondContact CE-OE1 3.39Å; K92-E157 HydrophobicContact CG-CG 3.96Å; K92-E157 VanDerWaalsContact NZ-CD 3.25Å; K92-E157 IonicContact NZ-OE1 3.44Å; K92-E157 PolarHBondContact NZ-OE1 2.69Å; K92-E157 IonicContact NZ-OE2 2.71Å; K92-E157 PolarHBondContact NZ-OE2 3.21Å |
| 93 | G | 88.5 | Confident | 92.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | 104.6 | 157.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F91 R97 K148 | F91-G93 VanDerWaalsContact C-N 3.26Å; F91-G93 PolarHBondContact O-N 3.4Å; G93-R97 CarbonylContact C-O 3.56Å; G93-R97 WeakPolarHBondContact CA-O 3.09Å; G93-K148 PolarHBondContact O-N 3.33Å |
| 94 | T | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -118.6 | 173.5 | 178.6 | 72 | 0 | 0 | 0 | 0 | 110.3 | K96 R97 L102 D142 I143 N146 K148 | T94-K96 PolarHBondContact O-N 2.92Å; T94-K96 PolarHBondContact OG1-N 3.36Å; T94-R97 PolarHBondContact N-O 3.46Å; T94-R97 PolarHBondContact O-N 3.2Å; T94-R97 PolarHBondContact OG1-N 2.81Å; T94-L102 HydrophobicContact CG2-CD1 4.36Å; T94-D142 WeakPolarHBondContact CB-OD2 3.25Å; T94-D142 HydrophobicContact CG2-CB 4.48Å; T94-D142 PolarHBondContact OG1-OD2 3.26Å; T94-I143 HydrophobicContact CG2-CG1 4.25Å; T94-N146 CarbonylContact C-O 3.57Å; T94-N146 WeakPolarHBondContact CA-O 3.23Å; T94-N146 WeakPolarHBondContact CB-O 3.44Å; T94-K148 WeakPolarHBondContact O-CE 3.49Å |
| 95 | E | 90.2 | Very high | 92.7 | Very high | 133 Ų | 133 | 46.4 Ų | 46.4 | 62% | 0.621 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -56.6 | -35.1 | 171 | -66 | -61.1 | 165.5 | 0 | 0 | 112.3 | N146 K148 | E95-N146 HydrophobicContact CB-CB 4.22Å; E95-N146 HydrophobicContact CG-CB 4.34Å; E95-N146 PolarHBondContact N-O 2.93Å; E95-K148 VanDerWaalsContact CA-CE 3.5Å; E95-K148 HydrophobicContact CG-CG 4.48Å; E95-K148 WeakPolarHBondContact OE2-CE 3.37Å; E95-K148 IonicContact OE2-NZ 2.77Å |
| 96 | K | 90.7 | Very high | 92.6 | Very high | 137 Ų | 137 | 47.1 Ų | 47.1 | 60% | 0.596 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -85.6 | -33.1 | -179.2 | -172.9 | 177 | 174.1 | -176.3 | 0 | 113.3 | T94 E138 | T94-K96 PolarHBondContact O-N 2.92Å; T94-K96 PolarHBondContact OG1-N 3.36Å; K96-E138 IonicContact NZ-OE1 3.88Å; K96-E138 PolarHBondContact NZ-OE1 3.11Å |
| 97 | R | 91.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -126.5 | 125.3 | -171.3 | -61.6 | 174.6 | 172.9 | 87.5 | -2.5 | 110.7 | G93 T94 L102 E105 E138 D142 | G93-R97 CarbonylContact C-O 3.56Å; G93-R97 WeakPolarHBondContact CA-O 3.09Å; T94-R97 PolarHBondContact N-O 3.46Å; T94-R97 PolarHBondContact O-N 3.2Å; T94-R97 PolarHBondContact OG1-N 2.81Å; R97-L102 HydrophobicContact CB-CB 4.28Å; R97-E105 WeakPolarHBondContact CD-OE2 3.48Å; R97-E105 IonicContact CZ-OE2 2.79Å; R97-E105 IonicContact NE-OE1 3.25Å; R97-E105 IonicContact NE-OE2 2.79Å; R97-E105 PolarHBondContact NE-OE2 3.48Å; R97-E105 IonicContact NH2-OE1 2.76Å; R97-E105 PolarHBondContact NH2-OE1 3.12Å; R97-E105 IonicContact NH2-OE2 2.9Å; R97-E138 IonicContact CZ-OE1 3.92Å; R97-E138 IonicContact NH1-OE1 3.3Å; R97-E138 IonicContact NH2-OE1 3.15Å; R97-E138 PolarHBondContact NH2-OE1 3.34Å; R97-D142 IonicContact CZ-OD2 3.05Å; R97-D142 IonicContact NH1-OD2 3.84Å; R97-D142 PolarHBondContact NH1-OD2 2.85Å |
| 98 | S | 92.8 | Very high | 92.6 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 47% | 0.469 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 159.1 | 166.6 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | Q100 S101 L102 | S98-Q100 VanDerWaalsContact C-N 3.32Å; S98-Q100 PolarHBondContact O-N 3.29Å; S98-S101 PolarHBondContact O-N 3.11Å; S98-S101 VanDerWaalsContact O-N 3.12Å; S98-S101 VanDerWaalsContact OG-CB 3.3Å; S98-S101 WeakPolarHBondContact OG-CB 3.4Å; S98-S101 PolarHBondContact OG-N 2.98Å; S98-L102 WeakPolarHBondContact O-CB 3.29Å; S98-L102 PolarHBondContact O-N 3.28Å |
| 99 | Q | 92.4 | Very high | 92.7 | Very high | 40 Ų | 40 | 61.6 Ų | 61.6 | 19% | 0.187 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -49.9 | -52.5 | 174.7 | -179.3 | -177.1 | -4.7 | 0 | 0 | 111.8 | S101 L102 E103 | Q99-S101 VanDerWaalsContact C-N 3.32Å; Q99-S101 PolarHBondContact O-N 3.42Å; Q99-L102 WeakPolarHBondContact O-CB 3.38Å; Q99-L102 PolarHBondContact O-N 2.95Å; Q99-L102 VanDerWaalsContact O-N 3.15Å; Q99-E103 VanDerWaalsContact CG-OE1 3.25Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.29Å; Q99-E103 PolarHBondContact NE2-OE1 3.36Å; Q99-E103 WeakPolarHBondContact O-CG 3.27Å; Q99-E103 PolarHBondContact O-N 3.09Å |
| 100 | Q | 93.8 | Very high | 92.8 | Very high | 143 Ų | 143 | 63.9 Ų | 63.9 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.9 | -39.7 | 179.6 | -71.5 | 178.7 | -23 | 0 | 0 | 112.5 | S98 L102 L104 | S98-Q100 VanDerWaalsContact C-N 3.32Å; S98-Q100 PolarHBondContact O-N 3.29Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; Q100-L104 WeakPolarHBondContact O-CB 3.36Å; Q100-L104 WeakPolarHBondContact O-CD1 3.33Å; Q100-L104 VanDerWaalsContact O-CG 3.23Å; Q100-L104 WeakPolarHBondContact O-CG 3.43Å; Q100-L104 PolarHBondContact O-N 2.75Å |
| 101 | S | 93.9 | Very high | 93 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 38% | 0.378 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 177.5 | -176 | 0 | 0 | 0 | 0 | 111.7 | S98 Q99 E105 | S98-S101 PolarHBondContact O-N 3.11Å; S98-S101 VanDerWaalsContact O-N 3.12Å; S98-S101 VanDerWaalsContact OG-CB 3.3Å; S98-S101 WeakPolarHBondContact OG-CB 3.4Å; S98-S101 PolarHBondContact OG-N 2.98Å; Q99-S101 VanDerWaalsContact C-N 3.32Å; Q99-S101 PolarHBondContact O-N 3.42Å; S101-E105 WeakPolarHBondContact O-CB 3.32Å; S101-E105 PolarHBondContact O-N 3.3Å |
| 102 | L | 93.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67 | -47.1 | 177.9 | -175.4 | 151.4 | 0 | 0 | 0 | 110.6 | T94 R97 S98 Q99 Q100 E105 V106 L113 L139 I143 | T94-L102 HydrophobicContact CG2-CD1 4.36Å; R97-L102 HydrophobicContact CB-CB 4.28Å; S98-L102 WeakPolarHBondContact O-CB 3.29Å; S98-L102 PolarHBondContact O-N 3.28Å; Q99-L102 WeakPolarHBondContact O-CB 3.38Å; Q99-L102 PolarHBondContact O-N 2.95Å; Q99-L102 VanDerWaalsContact O-N 3.15Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; L102-E105 PolarHBondContact O-N 3.37Å; L102-V106 HydrophobicContact CD2-CG2 4.4Å; L102-V106 VanDerWaalsContact O-CG2 3.29Å; L102-V106 WeakPolarHBondContact O-CG2 3.49Å; L102-V106 PolarHBondContact O-N 2.75Å; L102-V106 VanDerWaalsContact O-N 3.08Å; L102-L113 HydrophobicContact CD2-CD2 4.18Å; L102-L139 HydrophobicContact CD1-CD1 3.89Å; L102-L139 HydrophobicContact CG-CD1 4.02Å; L102-I143 HydrophobicContact CD1-CD1 4.29Å; L102-I143 HydrophobicContact CD1-CG1 4.12Å |
| 103 | E | 93.4 | Very high | 93.5 | Very high | 83 Ų | 83 | 67.9 Ų | 67.9 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 177.1 | -70.9 | 168.2 | -176.2 | 0 | 0 | 111 | Q99 E105 V106 E107 | Q99-E103 VanDerWaalsContact CG-OE1 3.25Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.29Å; Q99-E103 PolarHBondContact NE2-OE1 3.36Å; Q99-E103 WeakPolarHBondContact O-CG 3.27Å; Q99-E103 PolarHBondContact O-N 3.09Å; E103-E105 PolarHBondContact O-N 3.02Å; E103-V106 PolarHBondContact O-N 3.1Å; E103-E107 WeakPolarHBondContact O-CG 3.36Å; E103-E107 PolarHBondContact O-N 2.99Å |
| 104 | L | 94.5 | Very high | 93.8 | Very high | 96 Ų | 96 | 71.3 Ų | 71.3 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 177.1 | -74.3 | 168.5 | 0 | 0 | 0 | 112.8 | Q100 V106 E107 D108 | Q100-L104 WeakPolarHBondContact O-CB 3.36Å; Q100-L104 WeakPolarHBondContact O-CD1 3.33Å; Q100-L104 VanDerWaalsContact O-CG 3.23Å; Q100-L104 WeakPolarHBondContact O-CG 3.43Å; Q100-L104 PolarHBondContact O-N 2.75Å; L104-V106 VanDerWaalsContact C-N 3.31Å; L104-V106 PolarHBondContact O-N 3.07Å; L104-E107 PolarHBondContact O-N 3.45Å; L104-D108 VanDerWaalsContact O-CB 3.28Å; L104-D108 WeakPolarHBondContact O-CB 3.32Å; L104-D108 VanDerWaalsContact O-CG 3.3Å; L104-D108 PolarHBondContact O-N 3.07Å |
| 105 | E | 94.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 71.5 Ų | 71.5 | 23% | 0.229 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 179.7 | -170.4 | 179.6 | 172.9 | 0 | 0 | 111.7 | R97 S101 L102 E103 K109 W135 | R97-E105 WeakPolarHBondContact CD-OE2 3.48Å; R97-E105 IonicContact CZ-OE2 2.79Å; R97-E105 IonicContact NE-OE1 3.25Å; R97-E105 IonicContact NE-OE2 2.79Å; R97-E105 PolarHBondContact NE-OE2 3.48Å; R97-E105 IonicContact NH2-OE1 2.76Å; R97-E105 PolarHBondContact NH2-OE1 3.12Å; R97-E105 IonicContact NH2-OE2 2.9Å; S101-E105 WeakPolarHBondContact O-CB 3.32Å; S101-E105 PolarHBondContact O-N 3.3Å; L102-E105 PolarHBondContact O-N 3.37Å; E103-E105 PolarHBondContact O-N 3.02Å; E105-K109 VanDerWaalsContact O-CG 3.29Å; E105-K109 WeakPolarHBondContact O-CG 3.23Å; E105-K109 PolarHBondContact O-N 2.83Å; E105-W135 HydrophobicContact CG-CZ2 4.16Å; E105-W135 PolarHBondContact OE1-NE1 2.97Å |
| 106 | V | 95.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.097 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.1 | -45.9 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | L102 E103 L104 K109 G110 A111 L113 W135 L139 | L102-V106 HydrophobicContact CD2-CG2 4.4Å; L102-V106 VanDerWaalsContact O-CG2 3.29Å; L102-V106 WeakPolarHBondContact O-CG2 3.49Å; L102-V106 PolarHBondContact O-N 2.75Å; L102-V106 VanDerWaalsContact O-N 3.08Å; E103-V106 PolarHBondContact O-N 3.1Å; L104-V106 VanDerWaalsContact C-N 3.31Å; L104-V106 PolarHBondContact O-N 3.07Å; V106-K109 PolarHBondContact O-N 2.64Å; V106-G110 PolarHBondContact O-N 2.8Å; V106-A111 HydrophobicContact CG1-CB 4.21Å; V106-A111 VanDerWaalsContact CG1-O 3.31Å; V106-A111 WeakPolarHBondContact CG1-O 3.26Å; V106-A111 PolarHBondContact O-N 3.17Å; V106-L113 HydrophobicContact CG1-CB 4.14Å; V106-L113 HydrophobicContact CG2-CB 4.37Å; V106-L113 HydrophobicContact CG2-CD2 4.28Å; V106-W135 HydrophobicContact CB-CH2 4.35Å; V106-W135 HydrophobicContact CG2-CH2 3.91Å; V106-W135 HydrophobicContact CG2-CZ2 3.92Å; V106-L139 HydrophobicContact CG2-CD2 3.8Å |
| 107 | E | 94.6 | Very high | 94.5 | Very high | 143 Ų | 143 | 62.3 Ų | 62.3 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 179.8 | -73.4 | -175.6 | -179.6 | 0 | 0 | 112.8 | E103 L104 K109 G110 | E103-E107 WeakPolarHBondContact O-CG 3.36Å; E103-E107 PolarHBondContact O-N 2.99Å; L104-E107 PolarHBondContact O-N 3.45Å; E107-K109 PolarHBondContact O-N 2.77Å; E107-G110 PolarHBondContact O-N 2.92Å |
| 108 | D | 95.5 | Very high | 94.7 | Very high | 141 Ų | 141 | 63.5 Ų | 63.5 | 75% | 0.754 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.5 | -31.3 | 179.6 | -80.9 | -17.1 | 0 | 0 | 0 | 112.2 | L104 G110 | L104-D108 VanDerWaalsContact O-CB 3.28Å; L104-D108 WeakPolarHBondContact O-CB 3.32Å; L104-D108 VanDerWaalsContact O-CG 3.3Å; L104-D108 PolarHBondContact O-N 3.07Å; D108-G110 VanDerWaalsContact C-N 3.31Å |
| 109 | K | 95.1 | Very high | 94.8 | Very high | 83 Ų | 83 | 61 Ų | 61 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -8.2 | 175.1 | -69.6 | -64.8 | -167.2 | 166.2 | 0 | 113.5 | E105 V106 E107 A111 D132 W135 | E105-K109 VanDerWaalsContact O-CG 3.29Å; E105-K109 WeakPolarHBondContact O-CG 3.23Å; E105-K109 PolarHBondContact O-N 2.83Å; V106-K109 PolarHBondContact O-N 2.64Å; E107-K109 PolarHBondContact O-N 2.77Å; K109-A111 HydrophobicContact CB-CB 4.23Å; K109-A111 PolarHBondContact O-N 2.87Å; K109-D132 WeakPolarHBondContact CD-OD1 3.15Å; K109-D132 WeakPolarHBondContact CE-OD1 3.38Å; K109-D132 IonicContact NZ-OD1 2.79Å; K109-D132 PolarHBondContact NZ-OD1 2.9Å; K109-W135 HydrophobicContact CB-CH2 4.41Å; K109-W135 HydrophobicContact CB-CZ3 4.47Å; K109-W135 HydrophobicContact CG-CD2 4.44Å; K109-W135 HydrophobicContact CG-CZ2 4.4Å |
| 110 | G | 95 | Very high | 94.9 | Very high | 48 Ų | 48 | 60.2 Ų | 60.2 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 26.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V106 E107 D108 | V106-G110 PolarHBondContact O-N 2.8Å; E107-G110 PolarHBondContact O-N 2.92Å; D108-G110 VanDerWaalsContact C-N 3.31Å |
| 111 | A | 95.9 | Very high | 95 | Very high | 8 Ų | 8 | 55 Ų | 55 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | trans | -85.8 | 156.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V106 K109 K127 C128 W135 | V106-A111 HydrophobicContact CG1-CB 4.21Å; V106-A111 VanDerWaalsContact CG1-O 3.31Å; V106-A111 WeakPolarHBondContact CG1-O 3.26Å; V106-A111 PolarHBondContact O-N 3.17Å; K109-A111 HydrophobicContact CB-CB 4.23Å; K109-A111 PolarHBondContact O-N 2.87Å; A111-K127 CarbonylContact C-O 3.54Å; A111-K127 VanDerWaalsContact CA-O 3.23Å; A111-K127 WeakPolarHBondContact CA-O 3.38Å; A111-K127 WeakPolarHBondContact CB-O 3.41Å; A111-C128 HydrophobicContact CB-CB 4.09Å; A111-W135 HydrophobicContact CB-CH2 3.55Å; A111-W135 HydrophobicContact CB-CZ3 3.48Å; A111-W135 VanDerWaalsContact CB-CZ3 3.48Å | ||
| 112 | H | 95.1 | Very high | 95.1 | Very high | 129 Ų | 129 | 52.4 Ų | 52.4 | 60% | 0.597 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 115.7 | 171.4 | -61.7 | -74.7 | 0 | 0 | 0 | 109.2 | A126 K127 | H112-A126 CarbonylContact O-C 3.58Å; H112-A126 VanDerWaalsContact O-CA 3.27Å; H112-A126 WeakPolarHBondContact O-CA 3.34Å; H112-K127 HydrophobicContact CB-CB 4.24Å; H112-K127 PolarHBondContact N-O 3.05Å; H112-K127 PolarHBondContact O-N 3.08Å |
| 113 | L | 94.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.2 | 174.5 | -175.3 | 69.7 | 0 | 0 | 0 | 108.9 | F91 L102 V106 A126 L139 L140 I143 | F91-L113 HydrophobicContact CD1-CD2 3.5Å; F91-L113 HydrophobicContact CD1-CG 4.12Å; F91-L113 HydrophobicContact CE1-CD1 4.2Å; F91-L113 HydrophobicContact CE1-CD2 3.43Å; F91-L113 VanDerWaalsContact CE1-CD2 3.43Å; F91-L113 HydrophobicContact CE1-CG 3.55Å; F91-L113 HydrophobicContact CZ-CD2 4.47Å; F91-L113 HydrophobicContact CZ-CG 4.2Å; L102-L113 HydrophobicContact CD2-CD2 4.18Å; V106-L113 HydrophobicContact CG1-CB 4.14Å; V106-L113 HydrophobicContact CG2-CB 4.37Å; V106-L113 HydrophobicContact CG2-CD2 4.28Å; L113-A126 HydrophobicContact CD1-CB 3.99Å; L113-L139 HydrophobicContact CD1-CD2 4.49Å; L113-L139 HydrophobicContact CD2-CD2 4.22Å; L113-L140 HydrophobicContact CD1-CD2 4.08Å; L113-I143 HydrophobicContact CD1-CD1 4.49Å; L113-I143 HydrophobicContact CD2-CD1 3.85Å |
| 114 | N | 95.2 | Very high | 95.5 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 163.9 | 176.2 | -159 | 12.3 | 0 | 0 | 0 | 111.3 | Y125 | N114-Y125 HydrophobicContact CB-CD1 4.46Å; N114-Y125 HydrophobicContact CB-CE1 3.76Å; N114-Y125 HydrophobicContact CB-CE2 4.09Å; N114-Y125 PolarHBondContact N-O 3.28Å; N114-Y125 PolarHBondContact ND2-OH 2.78Å; N114-Y125 VanDerWaalsContact ND2-OH 3.1Å; N114-Y125 PolarHBondContact O-N 3.26Å; N114-Y125 VanDerWaalsContact O-O 3.12Å |
| 115 | A | 95.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 165.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E87 F91 V123 Y124 | E87-A115 HydrophobicContact CG-CB 3.69Å; F91-A115 HydrophobicContact CE2-CB 3.72Å; F91-A115 HydrophobicContact CZ-CB 3.52Å; A115-V123 CarbonylContact C-O 2.86Å; A115-V123 WeakPolarHBondContact CA-O 3.17Å; A115-V123 WeakPolarHBondContact CB-O 3.46Å; A115-Y124 HydrophobicContact CB-CD1 3.55Å; A115-Y124 HydrophobicContact CB-CE1 3.88Å; A115-Y124 HydrophobicContact CB-CG 4.29Å |
| 116 | Y | 96.2 | Very high | 95.8 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 24% | 0.235 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 149.8 | 164.7 | 63.8 | -95.3 | 0 | 0 | 0 | 110.2 | E87 M121 T122 V123 Y125 E405 | E87-Y116 WeakPolarHBondContact OE1-CA 3.48Å; Y116-M121 HydrophobicContact CE2-CE 4.23Å; Y116-T122 WeakPolarHBondContact O-CA 3.44Å; Y116-V123 HydrophobicContact CD1-CB 4.08Å; Y116-V123 HydrophobicContact CD2-CB 4.43Å; Y116-V123 HydrophobicContact CD2-CG2 4.36Å; Y116-V123 HydrophobicContact CE1-CB 3.72Å; Y116-V123 HydrophobicContact CE1-CG1 3.96Å; Y116-V123 HydrophobicContact CE1-CG2 4.04Å; Y116-V123 HydrophobicContact CE2-CB 4.07Å; Y116-V123 HydrophobicContact CE2-CG2 3.65Å; Y116-V123 HydrophobicContact CG-CB 4.44Å; Y116-V123 VanDerWaalsContact CZ-CG2 3.48Å; Y116-V123 PolarHBondContact N-O 3.07Å; Y116-V123 PolarHBondContact O-N 3.12Å; Y116-Y125 HydrophobicContact CD1-CE1 4.25Å; Y116-Y125 HydrophobicContact CE1-CE1 4.33Å; Y116-E405 VanDerWaalsContact OH-CD 3.32Å; Y116-E405 PolarHBondContact OH-OE1 2.83Å |
| 117 | T | 96.2 | Very high | 95.9 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.1 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | A83 E87 I194 | A83-T117 HydrophobicContact CB-CG2 3.8Å; E87-T117 WeakPolarHBondContact OE2-CB 3.19Å; E87-T117 PolarHBondContact OE2-N 2.85Å; E87-T117 PolarHBondContact OE2-OG1 3.44Å; T117-I194 HydrophobicContact CG2-CG2 4.05Å |
| 118 | S | 95.4 | Very high | 96.1 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | trans | -120.4 | -174 | 172.6 | -168 | 0 | 0 | 0 | 0 | 110.3 | G71 S72 E120 M121 | G71-S118 WeakPolarHBondContact CA-O 3.18Å; S72-S118 PolarHBondContact N-O 3.39Å; S118-E120 VanDerWaalsContact C-N 3.31Å; S118-E120 PolarHBondContact O-N 2.94Å; S118-M121 WeakPolarHBondContact CB-O 3.26Å; S118-M121 PolarHBondContact N-O 3.22Å | ||
| 119 | R | 95.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 6% | 0.06 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -65.8 | -32.5 | 176.1 | -75.1 | 169.4 | 169.8 | 86.7 | 1.5 | 112.4 | G71 S72 R73 D178 L190 I194 Y342 | G71-R119 CarbonylContact C-O 3.55Å; G71-R119 VanDerWaalsContact C-O 3.3Å; G71-R119 WeakPolarHBondContact CA-O 3.18Å; S72-R119 PolarHBondContact N-O 3.41Å; S72-R119 WeakPolarHBondContact OG-CG 3.21Å; R73-R119 WeakPolarHBondContact CB-O 3.21Å; R73-R119 PolarHBondContact N-O 3.31Å; R119-D178 IonicContact CZ-OD1 3.51Å; R119-D178 IonicContact NH1-OD1 2.74Å; R119-D178 IonicContact NH2-OD1 3.46Å; R119-D178 PolarHBondContact NH2-OD1 2.77Å; R119-L190 HydrophobicContact CB-CD2 4.08Å; R119-L190 PolarHBondContact NE-O 2.75Å; R119-I194 HydrophobicContact CG-CG1 4.09Å; R119-Y342 HydrophobicContact CB-CE1 3.95Å; R119-Y342 WeakPolarHBondContact CD-OH 3.46Å |
| 120 | E | 94.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -124 | -7.9 | -176.9 | -64.2 | -167.4 | 144.2 | 0 | 0 | 115.3 | V70 R73 S118 Y342 H343 | V70-E120 PolarHBondContact N-O 3.16Å; V70-E120 CarbonylContact O-C 3.55Å; R73-E120 HydrophobicContact CB-CG 4.37Å; R73-E120 VanDerWaalsContact CD-OE1 3.28Å; R73-E120 WeakPolarHBondContact CD-OE1 3.41Å; R73-E120 IonicContact CZ-OE1 3.88Å; R73-E120 IonicContact NE-OE1 3.91Å; R73-E120 IonicContact NH1-OE1 3.48Å; R73-E120 PolarHBondContact NH1-OE1 3.34Å; S118-E120 VanDerWaalsContact C-N 3.31Å; S118-E120 PolarHBondContact O-N 2.94Å; E120-Y342 HydrophobicContact CG-CD1 3.83Å; E120-Y342 HydrophobicContact CG-CE1 4.47Å; E120-Y342 VanDerWaalsContact OE2-CA 3.27Å; E120-Y342 WeakPolarHBondContact OE2-CA 3.22Å; E120-Y342 WeakPolarHBondContact OE2-CB 3.4Å; E120-H343 PolarHBondContact OE1-N 3.45Å; E120-H343 PolarHBondContact OE2-N 3.05Å |
| 121 | M | 94.9 | Very high | 96.3 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | trans | -141.9 | 141.9 | -176.1 | 60.5 | -172.7 | -69.6 | 0 | 0 | 112.1 | V68 V70 Y116 S118 V123 R409 L412 | V68-M121 WeakPolarHBondContact O-CA 3.45Å; V70-M121 CarbonylContact O-C 3.57Å; V70-M121 WeakPolarHBondContact O-CA 3.44Å; V70-M121 PolarHBondContact O-N 3.44Å; V70-M121 VanDerWaalsContact O-N 3.08Å; Y116-M121 HydrophobicContact CE2-CE 4.23Å; S118-M121 WeakPolarHBondContact CB-O 3.26Å; S118-M121 PolarHBondContact N-O 3.22Å; M121-V123 HydrophobicContact CE-CG2 3.56Å; M121-R409 HydrophobicContact SD-CG 4.5Å; M121-L412 HydrophobicContact CB-CD1 4.39Å | ||
| 122 | T | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.2 | 170.3 | -60.4 | 0 | 0 | 0 | 0 | 107.9 | V68 V70 Y116 Y124 | V68-T122 PolarHBondContact N-O 2.92Å; V68-T122 PolarHBondContact O-N 3.49Å; V70-T122 PolarHBondContact O-N 3.03Å; V70-T122 PolarHBondContact O-OG1 2.92Å; Y116-T122 WeakPolarHBondContact O-CA 3.44Å; T122-Y124 HydrophobicContact CG2-CD2 4.27Å; T122-Y124 HydrophobicContact CG2-CE2 3.45Å; T122-Y124 VanDerWaalsContact CG2-CE2 3.45Å |
| 123 | V | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134 | -173.2 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | V66 W67 A115 Y116 M121 Y125 | V66-V123 WeakPolarHBondContact O-CA 3.44Å; W67-V123 VanDerWaalsContact CD1-CG2 3.43Å; W67-V123 HydrophobicContact CD2-CG1 3.9Å; W67-V123 HydrophobicContact CD2-CG2 4.37Å; W67-V123 VanDerWaalsContact CE2-CG1 3.41Å; W67-V123 HydrophobicContact CE3-CG1 4.42Å; W67-V123 HydrophobicContact CG-CG1 4.37Å; W67-V123 HydrophobicContact CG-CG2 4.03Å; W67-V123 HydrophobicContact CH2-CG1 4.03Å; W67-V123 HydrophobicContact CZ2-CG1 3.43Å; W67-V123 VanDerWaalsContact CZ2-CG1 3.43Å; W67-V123 HydrophobicContact CZ3-CG1 4.49Å; A115-V123 CarbonylContact C-O 2.86Å; A115-V123 WeakPolarHBondContact CA-O 3.17Å; A115-V123 WeakPolarHBondContact CB-O 3.46Å; Y116-V123 HydrophobicContact CD1-CB 4.08Å; Y116-V123 HydrophobicContact CD2-CB 4.43Å; Y116-V123 HydrophobicContact CD2-CG2 4.36Å; Y116-V123 HydrophobicContact CE1-CB 3.72Å; Y116-V123 HydrophobicContact CE1-CG1 3.96Å; Y116-V123 HydrophobicContact CE1-CG2 4.04Å; Y116-V123 HydrophobicContact CE2-CB 4.07Å; Y116-V123 HydrophobicContact CE2-CG2 3.65Å; Y116-V123 HydrophobicContact CG-CB 4.44Å; Y116-V123 VanDerWaalsContact CZ-CG2 3.48Å; Y116-V123 PolarHBondContact N-O 3.07Å; Y116-V123 PolarHBondContact O-N 3.12Å; M121-V123 HydrophobicContact CE-CG2 3.56Å; V123-Y125 HydrophobicContact CG1-CD1 4.09Å |
| 124 | Y | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.8 | 170.2 | -56.7 | -91.1 | 0 | 0 | 0 | 107.7 | G65 V66 A90 F91 A115 T122 L144 Y217 | G65-Y124 CarbonylContact C-O 3.57Å; G65-Y124 WeakPolarHBondContact CA-O 3.37Å; V66-Y124 PolarHBondContact N-O 3.14Å; V66-Y124 PolarHBondContact O-N 2.81Å; A90-Y124 HydrophobicContact CB-CD1 4.14Å; A90-Y124 HydrophobicContact CB-CE1 3.48Å; A90-Y124 VanDerWaalsContact CB-CE1 3.48Å; F91-Y124 HydrophobicContact CZ-CD1 4.39Å; A115-Y124 HydrophobicContact CB-CD1 3.55Å; A115-Y124 HydrophobicContact CB-CE1 3.88Å; A115-Y124 HydrophobicContact CB-CG 4.29Å; T122-Y124 HydrophobicContact CG2-CD2 4.27Å; T122-Y124 HydrophobicContact CG2-CE2 3.45Å; T122-Y124 VanDerWaalsContact CG2-CE2 3.45Å; Y124-L144 HydrophobicContact CD2-CD2 3.63Å; Y124-L144 HydrophobicContact CE2-CD2 3.61Å; Y124-L144 HydrophobicContact CG-CD2 4.25Å; Y124-Y217 HydrophobicContact CE2-CE1 4.09Å; Y124-Y217 PolarHBondContact OH-OH 3.05Å; Y124-Y217 VanDerWaalsContact OH-OH 3.09Å |
| 125 | Y | 97.8 | Very high | 96.6 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 14% | 0.141 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152.2 | -176.4 | 73 | -89.4 | 0 | 0 | 0 | 112.5 | T63 V64 N114 Y116 V123 K127 T401 | T63-Y125 HydrophobicContact CG2-CD2 4Å; V64-Y125 CarbonylContact O-C 3.3Å; V64-Y125 VanDerWaalsContact O-CA 3.32Å; V64-Y125 WeakPolarHBondContact O-CA 3.34Å; N114-Y125 HydrophobicContact CB-CD1 4.46Å; N114-Y125 HydrophobicContact CB-CE1 3.76Å; N114-Y125 HydrophobicContact CB-CE2 4.09Å; N114-Y125 PolarHBondContact N-O 3.28Å; N114-Y125 PolarHBondContact ND2-OH 2.78Å; N114-Y125 VanDerWaalsContact ND2-OH 3.1Å; N114-Y125 PolarHBondContact O-N 3.26Å; N114-Y125 VanDerWaalsContact O-O 3.12Å; Y116-Y125 HydrophobicContact CD1-CE1 4.25Å; Y116-Y125 HydrophobicContact CE1-CE1 4.33Å; V123-Y125 HydrophobicContact CG1-CD1 4.09Å; Y125-K127 HydrophobicContact CD2-CG 4.29Å; Y125-K127 HydrophobicContact CE2-CD 4.32Å; Y125-K127 HydrophobicContact CE2-CG 4.2Å; Y125-T401 HydrophobicContact CD2-CG2 4.3Å; Y125-T401 HydrophobicContact CE2-CG2 3.88Å |
| 126 | A | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T63 V64 H112 L113 A136 | T63-A126 WeakPolarHBondContact CA-O 3.47Å; V64-A126 HydrophobicContact CG1-CB 4.46Å; V64-A126 PolarHBondContact N-O 3.35Å; V64-A126 PolarHBondContact O-N 2.83Å; H112-A126 CarbonylContact O-C 3.58Å; H112-A126 VanDerWaalsContact O-CA 3.27Å; H112-A126 WeakPolarHBondContact O-CA 3.34Å; L113-A126 HydrophobicContact CD1-CB 3.99Å; A126-A136 HydrophobicContact CB-CB 4.17Å |
| 127 | K | 97.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 32.6 Ų | 32.6 | 34% | 0.343 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.2 | 170 | -53.5 | 178 | 64.5 | 156.4 | 0 | 107.8 | C62 T63 A111 H112 Y125 T401 | C62-K127 WeakPolarHBondContact O-CA 3.36Å; T63-K127 HydrophobicContact CG2-CG 4.18Å; A111-K127 CarbonylContact C-O 3.54Å; A111-K127 VanDerWaalsContact CA-O 3.23Å; A111-K127 WeakPolarHBondContact CA-O 3.38Å; A111-K127 WeakPolarHBondContact CB-O 3.41Å; H112-K127 HydrophobicContact CB-CB 4.24Å; H112-K127 PolarHBondContact N-O 3.05Å; H112-K127 PolarHBondContact O-N 3.08Å; Y125-K127 HydrophobicContact CD2-CG 4.29Å; Y125-K127 HydrophobicContact CE2-CD 4.32Å; Y125-K127 HydrophobicContact CE2-CG 4.2Å; K127-T401 VanDerWaalsContact CD-OG1 3.24Å; K127-T401 WeakPolarHBondContact CD-OG1 3.43Å; K127-T401 WeakPolarHBondContact CE-OG1 3.19Å; K127-T401 PolarHBondContact NZ-OG1 2.99Å |
| 128 | C | 97.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 34 Ų | 34 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 175 | -176.6 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | T61 C62 A111 D132 W135 | T61-C128 WeakPolarHBondContact CA-O 3.46Å; C62-C128 PolarHBondContact N-O 3.32Å; C62-C128 PolarHBondContact O-N 2.8Å; C62-C128 VanDerWaalsContact SG-SG 3.65Å; A111-C128 HydrophobicContact CB-CB 4.09Å; C128-D132 HydrophobicContact CB-CB 4.2Å; C128-W135 HydrophobicContact CB-CZ3 4.41Å |
| 129 | F | 97.4 | Very high | 96.9 | Very high | 110 Ų | 110 | 32.2 Ų | 32.2 | 48% | 0.482 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 152.5 | 165.4 | -64.3 | -69.7 | 0 | 0 | 0 | 110.5 | T61 E131 D132 | T61-F129 HydrophobicContact CG2-CD1 4.15Å; T61-F129 HydrophobicContact CG2-CE1 4.31Å; F129-E131 PolarHBondContact O-N 3.32Å; F129-D132 PolarHBondContact O-N 3.15Å; F129-D132 VanDerWaalsContact O-N 3.08Å |
| 130 | V | 96.4 | Very high | 96.9 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -58.5 | -35.7 | 178 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | T59 P60 C62 D132 L133 G229 | T59-V130 VanDerWaalsContact O-CG2 3.29Å; T59-V130 WeakPolarHBondContact O-CG2 3.39Å; P60-V130 PolarHBondContact O-N 3.38Å; P60-V130 VanDerWaalsContact O-N 3.11Å; C62-V130 HydrophobicContact CB-CG2 4.25Å; V130-D132 PolarHBondContact O-N 3.44Å; V130-L133 VanDerWaalsContact O-CB 3.22Å; V130-L133 WeakPolarHBondContact O-CB 3.48Å; V130-L133 PolarHBondContact O-N 3.36Å; V130-L133 VanDerWaalsContact O-N 3.14Å; V130-G229 WeakPolarHBondContact CG1-O 3.19Å; V130-G229 WeakPolarHBondContact CG2-O 3.19Å |
| 131 | E | 96 | Very high | 96.9 | Very high | 180 Ų | 180 | 30.7 Ų | 30.7 | 84% | 0.841 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -62.9 | -28.2 | 178.7 | -59.9 | -178.8 | -165.4 | 0 | 0 | 112.7 | F129 P134 | F129-E131 PolarHBondContact O-N 3.32Å; E131-P134 WeakPolarHBondContact O-CD 3.33Å |
| 132 | D | 97.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.112 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -92.6 | 5.4 | 179.9 | -62.8 | -53.5 | 0 | 0 | 0 | 113 | K109 C128 F129 V130 P134 W135 A136 | K109-D132 WeakPolarHBondContact CD-OD1 3.15Å; K109-D132 WeakPolarHBondContact CE-OD1 3.38Å; K109-D132 IonicContact NZ-OD1 2.79Å; K109-D132 PolarHBondContact NZ-OD1 2.9Å; C128-D132 HydrophobicContact CB-CB 4.2Å; F129-D132 PolarHBondContact O-N 3.15Å; F129-D132 VanDerWaalsContact O-N 3.08Å; V130-D132 PolarHBondContact O-N 3.44Å; D132-P134 VanDerWaalsContact C-CD 3.49Å; D132-W135 HydrophobicContact CB-CE3 4.17Å; D132-W135 WeakPolarHBondContact O-CB 3.5Å; D132-W135 PolarHBondContact O-N 3.35Å; D132-A136 PolarHBondContact O-N 3.25Å |
| 133 | L | 97 | Very high | 96.8 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.6 | -45 | 176.2 | 178.4 | 70.3 | 0 | 0 | 0 | 113 | V64 V130 W135 A136 V137 I230 L235 L238 | V64-L133 HydrophobicContact CB-CD1 4.01Å; V64-L133 HydrophobicContact CG1-CD1 4.06Å; V64-L133 HydrophobicContact CG2-CD1 4.35Å; V130-L133 VanDerWaalsContact O-CB 3.22Å; V130-L133 WeakPolarHBondContact O-CB 3.48Å; V130-L133 PolarHBondContact O-N 3.36Å; V130-L133 VanDerWaalsContact O-N 3.14Å; L133-W135 PolarHBondContact O-N 3.12Å; L133-A136 PolarHBondContact O-N 2.94Å; L133-V137 HydrophobicContact CD1-CG2 4.03Å; L133-V137 HydrophobicContact CG-CG2 4.34Å; L133-V137 WeakPolarHBondContact O-CG2 3.21Å; L133-V137 PolarHBondContact O-N 3Å; L133-I230 HydrophobicContact CD2-CG1 4.45Å; L133-I230 HydrophobicContact CD2-CG2 3.81Å; L133-L235 HydrophobicContact CD1-CD1 4.37Å; L133-L238 HydrophobicContact CD2-CD1 4.44Å; L133-L238 HydrophobicContact CG-CD1 4.24Å |
| 134 | P | 97.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 30.2 Ų | 30.2 | 31% | 0.305 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.4 | -39.4 | 176.2 | -25.3 | 35.7 | 0 | 0 | 0 | 113 | E131 D132 E138 L238 | E131-P134 WeakPolarHBondContact O-CD 3.33Å; D132-P134 VanDerWaalsContact C-CD 3.49Å; P134-E138 WeakPolarHBondContact O-CB 3.29Å; P134-E138 PolarHBondContact O-N 3.48Å; P134-E138 VanDerWaalsContact O-N 3.11Å; P134-L238 HydrophobicContact CB-CD1 4.29Å; P134-L238 HydrophobicContact CB-CD2 3.92Å; P134-L238 HydrophobicContact CG-CD1 4.25Å; P134-L238 HydrophobicContact CG-CD2 4.46Å |
| 135 | W | 96.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -47.1 | 177.9 | 163 | 81.9 | 0 | 0 | 0 | 111.4 | E105 V106 K109 A111 C128 D132 L133 V137 E138 L139 | E105-W135 HydrophobicContact CG-CZ2 4.16Å; E105-W135 PolarHBondContact OE1-NE1 2.97Å; V106-W135 HydrophobicContact CB-CH2 4.35Å; V106-W135 HydrophobicContact CG2-CH2 3.91Å; V106-W135 HydrophobicContact CG2-CZ2 3.92Å; K109-W135 HydrophobicContact CB-CH2 4.41Å; K109-W135 HydrophobicContact CB-CZ3 4.47Å; K109-W135 HydrophobicContact CG-CD2 4.44Å; K109-W135 HydrophobicContact CG-CZ2 4.4Å; A111-W135 HydrophobicContact CB-CH2 3.55Å; A111-W135 HydrophobicContact CB-CZ3 3.48Å; A111-W135 VanDerWaalsContact CB-CZ3 3.48Å; C128-W135 HydrophobicContact CB-CZ3 4.41Å; D132-W135 HydrophobicContact CB-CE3 4.17Å; D132-W135 WeakPolarHBondContact O-CB 3.5Å; D132-W135 PolarHBondContact O-N 3.35Å; L133-W135 PolarHBondContact O-N 3.12Å; W135-V137 VanDerWaalsContact C-N 3.34Å; W135-V137 PolarHBondContact O-N 3.49Å; W135-E138 PolarHBondContact O-N 2.94Å; W135-L139 HydrophobicContact CH2-CD2 3.88Å; W135-L139 HydrophobicContact CZ2-CD2 3.64Å; W135-L139 WeakPolarHBondContact O-CB 3.15Å; W135-L139 PolarHBondContact O-N 3.44Å |
| 136 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V64 A126 D132 L133 L139 L140 | V64-A136 HydrophobicContact CG1-CB 3.7Å; A126-A136 HydrophobicContact CB-CB 4.17Å; D132-A136 PolarHBondContact O-N 3.25Å; L133-A136 PolarHBondContact O-N 2.94Å; A136-L139 PolarHBondContact O-N 3.15Å; A136-L140 WeakPolarHBondContact O-CG 3.05Å; A136-L140 PolarHBondContact O-N 2.86Å |
| 137 | V | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.5 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | V64 L133 W135 S141 L235 L238 H242 F243 | V64-V137 HydrophobicContact CG2-CG2 4.02Å; L133-V137 HydrophobicContact CD1-CG2 4.03Å; L133-V137 HydrophobicContact CG-CG2 4.34Å; L133-V137 WeakPolarHBondContact O-CG2 3.21Å; L133-V137 PolarHBondContact O-N 3Å; W135-V137 VanDerWaalsContact C-N 3.34Å; W135-V137 PolarHBondContact O-N 3.49Å; V137-S141 WeakPolarHBondContact O-CB 3.4Å; V137-S141 PolarHBondContact O-N 2.85Å; V137-S141 VanDerWaalsContact O-N 3.11Å; V137-L235 HydrophobicContact CG2-CD1 4.02Å; V137-L238 HydrophobicContact CB-CB 4.41Å; V137-L238 HydrophobicContact CG1-CB 3.96Å; V137-L238 HydrophobicContact CG2-CD1 4.26Å; V137-H242 HydrophobicContact CG1-CB 4.43Å; V137-F243 HydrophobicContact CG1-CE2 3.95Å |
| 138 | E | 96.8 | Very high | 95.3 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 174 | -178.7 | -171.9 | 140.2 | 0 | 0 | 111.3 | K96 R97 P134 W135 S141 D142 | K96-E138 IonicContact NZ-OE1 3.88Å; K96-E138 PolarHBondContact NZ-OE1 3.11Å; R97-E138 IonicContact CZ-OE1 3.92Å; R97-E138 IonicContact NH1-OE1 3.3Å; R97-E138 IonicContact NH2-OE1 3.15Å; R97-E138 PolarHBondContact NH2-OE1 3.34Å; P134-E138 WeakPolarHBondContact O-CB 3.29Å; P134-E138 PolarHBondContact O-N 3.48Å; P134-E138 VanDerWaalsContact O-N 3.11Å; W135-E138 PolarHBondContact O-N 2.94Å; E138-S141 PolarHBondContact O-N 2.85Å; E138-D142 WeakPolarHBondContact O-CB 3.31Å; E138-D142 PolarHBondContact O-N 3.21Å |
| 139 | L | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | -178.4 | 178.7 | 64 | 0 | 0 | 0 | 111.4 | L102 V106 L113 W135 A136 S141 D142 I143 | L102-L139 HydrophobicContact CD1-CD1 3.89Å; L102-L139 HydrophobicContact CG-CD1 4.02Å; V106-L139 HydrophobicContact CG2-CD2 3.8Å; L113-L139 HydrophobicContact CD1-CD2 4.49Å; L113-L139 HydrophobicContact CD2-CD2 4.22Å; W135-L139 HydrophobicContact CH2-CD2 3.88Å; W135-L139 HydrophobicContact CZ2-CD2 3.64Å; W135-L139 WeakPolarHBondContact O-CB 3.15Å; W135-L139 PolarHBondContact O-N 3.44Å; A136-L139 PolarHBondContact O-N 3.15Å; L139-S141 VanDerWaalsContact C-N 3.32Å; L139-S141 PolarHBondContact O-N 2.8Å; L139-D142 PolarHBondContact O-N 2.84Å; L139-I143 HydrophobicContact CD1-CD1 4.09Å; L139-I143 HydrophobicContact CD1-CG1 4.37Å; L139-I143 HydrophobicContact CG-CD1 3.93Å; L139-I143 WeakPolarHBondContact O-CG1 3.49Å; L139-I143 PolarHBondContact O-N 3.29Å |
| 140 | L | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.6 | -72 | 170.7 | 0 | 0 | 0 | 111.7 | V64 V66 L113 A136 L144 F243 | V64-L140 HydrophobicContact CG1-CD1 4.1Å; V64-L140 HydrophobicContact CG2-CD1 4.34Å; V66-L140 HydrophobicContact CG2-CB 4.41Å; L113-L140 HydrophobicContact CD1-CD2 4.08Å; A136-L140 WeakPolarHBondContact O-CG 3.05Å; A136-L140 PolarHBondContact O-N 2.86Å; L140-L144 WeakPolarHBondContact O-CB 3.2Å; L140-L144 WeakPolarHBondContact O-CD1 3.49Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.29Å; L140-L144 PolarHBondContact O-N 2.95Å; L140-L144 VanDerWaalsContact O-N 3.07Å; L140-F243 HydrophobicContact CB-CZ 4.47Å |
| 141 | S | 95.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.4 | 144.4 | 0 | 0 | 0 | 0 | 111.8 | V137 E138 L139 L144 K145 H242 | V137-S141 WeakPolarHBondContact O-CB 3.4Å; V137-S141 PolarHBondContact O-N 2.85Å; V137-S141 VanDerWaalsContact O-N 3.11Å; E138-S141 PolarHBondContact O-N 2.85Å; L139-S141 VanDerWaalsContact C-N 3.32Å; L139-S141 PolarHBondContact O-N 2.8Å; S141-L144 PolarHBondContact O-N 3.24Å; S141-K145 WeakPolarHBondContact O-CB 3.39Å; S141-K145 WeakPolarHBondContact O-CG 3.44Å; S141-K145 PolarHBondContact O-N 3.32Å; S141-K145 WeakPolarHBondContact OG-CE 3.48Å; S141-H242 PolarHBondContact OG-O 3.49Å |
| 142 | D | 95.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | -178.4 | -168.5 | 41.5 | 0 | 0 | 0 | 111.9 | T94 R97 E138 L139 N146 | T94-D142 WeakPolarHBondContact CB-OD2 3.25Å; T94-D142 HydrophobicContact CG2-CB 4.48Å; T94-D142 PolarHBondContact OG1-OD2 3.26Å; R97-D142 IonicContact CZ-OD2 3.05Å; R97-D142 IonicContact NH1-OD2 3.84Å; R97-D142 PolarHBondContact NH1-OD2 2.85Å; E138-D142 WeakPolarHBondContact O-CB 3.31Å; E138-D142 PolarHBondContact O-N 3.21Å; L139-D142 PolarHBondContact O-N 2.84Å; D142-N146 CarbonylContact O-C 3.54Å; D142-N146 WeakPolarHBondContact O-CA 3.23Å; D142-N146 WeakPolarHBondContact O-CB 3.32Å; D142-N146 PolarHBondContact O-N 3.48Å; D142-N146 WeakPolarHBondContact OD1-CB 3.45Å; D142-N146 PolarHBondContact OD1-ND2 3.1Å |
| 143 | I | 94 | Very high | 93.9 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -52 | 172.7 | -71.1 | 166.5 | 0 | 0 | 0 | 110 | A90 F91 T94 L102 L113 L139 K145 S147 | A90-I143 HydrophobicContact CB-CG2 3.78Å; A90-I143 WeakPolarHBondContact O-CG2 3.42Å; F91-I143 HydrophobicContact CD1-CD1 4.24Å; F91-I143 HydrophobicContact CE1-CD1 4.29Å; T94-I143 HydrophobicContact CG2-CG1 4.25Å; L102-I143 HydrophobicContact CD1-CD1 4.29Å; L102-I143 HydrophobicContact CD1-CG1 4.12Å; L113-I143 HydrophobicContact CD1-CD1 4.49Å; L113-I143 HydrophobicContact CD2-CD1 3.85Å; L139-I143 HydrophobicContact CD1-CD1 4.09Å; L139-I143 HydrophobicContact CD1-CG1 4.37Å; L139-I143 HydrophobicContact CG-CD1 3.93Å; L139-I143 WeakPolarHBondContact O-CG1 3.49Å; L139-I143 PolarHBondContact O-N 3.29Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 3.19Å; I143-S147 WeakPolarHBondContact O-CB 3.5Å; I143-S147 PolarHBondContact O-N 3.48Å; I143-S147 PolarHBondContact O-OG 2.87Å |
| 144 | L | 93.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.8 | -29.4 | -173.9 | -67.9 | 168.6 | 0 | 0 | 0 | 113.9 | V66 Y124 L140 S141 Y217 M222 F243 F246 | V66-L144 HydrophobicContact CB-CD1 3.79Å; V66-L144 HydrophobicContact CG1-CD1 3.74Å; V66-L144 HydrophobicContact CG2-CD1 3.78Å; Y124-L144 HydrophobicContact CD2-CD2 3.63Å; Y124-L144 HydrophobicContact CE2-CD2 3.61Å; Y124-L144 HydrophobicContact CG-CD2 4.25Å; L140-L144 WeakPolarHBondContact O-CB 3.2Å; L140-L144 WeakPolarHBondContact O-CD1 3.49Å; L140-L144 VanDerWaalsContact O-CG 3.26Å; L140-L144 WeakPolarHBondContact O-CG 3.29Å; L140-L144 PolarHBondContact O-N 2.95Å; L140-L144 VanDerWaalsContact O-N 3.07Å; S141-L144 PolarHBondContact O-N 3.24Å; L144-Y217 HydrophobicContact CD2-CD1 4.01Å; L144-Y217 HydrophobicContact CD2-CE1 3.69Å; L144-M222 HydrophobicContact CD1-CE 3.8Å; L144-F243 HydrophobicContact CD1-CE1 4.07Å; L144-F246 HydrophobicContact CB-CZ 3.94Å |
| 145 | K | 90.7 | Very high | 93.7 | Very high | 67 Ų | 67 | 33.6 Ų | 33.6 | 29% | 0.291 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -94.8 | -42.6 | -178.1 | -69.4 | -169.3 | -73.5 | -175.7 | 0 | 113.7 | S141 I143 H242 D245 F246 | S141-K145 WeakPolarHBondContact O-CB 3.39Å; S141-K145 WeakPolarHBondContact O-CG 3.44Å; S141-K145 PolarHBondContact O-N 3.32Å; S141-K145 WeakPolarHBondContact OG-CE 3.48Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 3.19Å; K145-H242 VanDerWaalsContact CE-O 3.29Å; K145-H242 WeakPolarHBondContact CE-O 3.31Å; K145-H242 PolarHBondContact NZ-O 2.93Å; K145-D245 IonicContact NZ-OD1 2.68Å; K145-D245 PolarHBondContact NZ-OD1 2.86Å; K145-D245 IonicContact NZ-OD2 3.7Å; K145-D245 PolarHBondContact NZ-OD2 2.86Å; K145-F246 HydrophobicContact CD-CD2 3.83Å; K145-F246 HydrophobicContact CD-CE2 3.48Å; K145-F246 VanDerWaalsContact CD-CE2 3.48Å; K145-F246 HydrophobicContact CD-CZ 4.19Å; K145-F246 HydrophobicContact CG-CD2 4.02Å; K145-F246 HydrophobicContact CG-CE1 4.41Å; K145-F246 HydrophobicContact CG-CE2 3.2Å; K145-F246 HydrophobicContact CG-CZ 3.44Å; K145-F246 VanDerWaalsContact CG-CZ 3.44Å |
| 146 | N | 92 | Very high | 93.6 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 36% | 0.358 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -119.2 | 18.5 | -162.3 | -53.6 | -44.3 | 0 | 0 | 0 | 112.6 | T94 E95 D142 K148 | T94-N146 CarbonylContact C-O 3.57Å; T94-N146 WeakPolarHBondContact CA-O 3.23Å; T94-N146 WeakPolarHBondContact CB-O 3.44Å; E95-N146 HydrophobicContact CB-CB 4.22Å; E95-N146 HydrophobicContact CG-CB 4.34Å; E95-N146 PolarHBondContact N-O 2.93Å; D142-N146 CarbonylContact O-C 3.54Å; D142-N146 WeakPolarHBondContact O-CA 3.23Å; D142-N146 WeakPolarHBondContact O-CB 3.32Å; D142-N146 PolarHBondContact O-N 3.48Å; D142-N146 WeakPolarHBondContact OD1-CB 3.45Å; D142-N146 PolarHBondContact OD1-ND2 3.1Å; N146-K148 PolarHBondContact O-N 3.3Å |
| 147 | S | 92.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -55.2 | 133.6 | 173.5 | -89.1 | 0 | 0 | 0 | 0 | 112 | I143 F149 | I143-S147 WeakPolarHBondContact O-CB 3.5Å; I143-S147 PolarHBondContact O-N 3.48Å; I143-S147 PolarHBondContact O-OG 2.87Å; S147-F149 WeakPolarHBondContact O-CD2 3.43Å; S147-F149 WeakPolarHBondContact O-CE2 3.33Å |
| 148 | K | 88.6 | Confident | 93.4 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | trans | -82.8 | 131.8 | 174.1 | -76.1 | -174.6 | -179.7 | -179.3 | 0 | 110.5 | G93 T94 E95 N146 E150 | G93-K148 PolarHBondContact O-N 3.33Å; T94-K148 WeakPolarHBondContact O-CE 3.49Å; E95-K148 VanDerWaalsContact CA-CE 3.5Å; E95-K148 HydrophobicContact CG-CG 4.48Å; E95-K148 WeakPolarHBondContact OE2-CE 3.37Å; E95-K148 IonicContact OE2-NZ 2.77Å; N146-K148 PolarHBondContact O-N 3.3Å; K148-E150 HydrophobicContact CB-CG 4.43Å | ||
| 149 | F | 89.6 | Confident | 93.4 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 10% | 0.096 | 20% | 0.203 | C | C | . | . | trans | -110.5 | 58.5 | 171.5 | -57.3 | -79.6 | 0 | 0 | 0 | 110 | L86 M89 S147 S151 A206 M209 K210 I213 | L86-F149 HydrophobicContact CD1-CE1 3.66Å; L86-F149 HydrophobicContact CD1-CZ 3.62Å; M89-F149 HydrophobicContact CB-CD1 4.17Å; M89-F149 HydrophobicContact CB-CE1 3.88Å; M89-F149 HydrophobicContact CE-CD1 4.44Å; M89-F149 HydrophobicContact CG-CD1 4.46Å; S147-F149 WeakPolarHBondContact O-CD2 3.43Å; S147-F149 WeakPolarHBondContact O-CE2 3.33Å; F149-S151 PolarHBondContact O-N 2.85Å; F149-A206 HydrophobicContact CB-CB 3.78Å; F149-A206 WeakPolarHBondContact O-CB 3.44Å; F149-M209 HydrophobicContact CD1-CB 3.98Å; F149-M209 HydrophobicContact CD1-CE 4.08Å; F149-M209 HydrophobicContact CD1-SD 3.87Å; F149-M209 HydrophobicContact CE1-CB 3.91Å; F149-M209 HydrophobicContact CE1-SD 4.03Å; F149-K210 HydrophobicContact CD2-CD 4.39Å; F149-K210 HydrophobicContact CD2-CG 3.69Å; F149-K210 HydrophobicContact CE2-CG 4.18Å; F149-K210 HydrophobicContact CG-CG 4.33Å; F149-I213 HydrophobicContact CE1-CD1 4.38Å; F149-I213 HydrophobicContact CE2-CD1 3.66Å; F149-I213 HydrophobicContact CZ-CD1 3.34Å | ||
| 150 | E | 89.5 | Confident | 93.4 | Very high | 94 Ų | 94 | 41.6 Ų | 41.6 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | trans | -65.4 | 130.5 | 175.3 | -72.3 | -177.5 | -171.1 | 0 | 0 | 110 | K148 S152 Q153 V154 | K148-E150 HydrophobicContact CB-CG 4.43Å; E150-S152 PolarHBondContact O-N 2.72Å; E150-S152 VanDerWaalsContact O-N 3.15Å; E150-Q153 HydrophobicContact CB-CB 4.42Å; E150-Q153 HydrophobicContact CB-CG 4.29Å; E150-Q153 PolarHBondContact O-N 3.33Å; E150-V154 WeakPolarHBondContact O-CG2 3.45Å; E150-V154 PolarHBondContact O-N 2.75Å | ||
| 151 | S | 91.3 | Very high | 93.4 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -56.3 | -35.8 | -177.9 | 55 | 0 | 0 | 0 | 0 | 112.7 | F149 Q153 V154 E155 | F149-S151 PolarHBondContact O-N 2.85Å; S151-Q153 VanDerWaalsContact C-N 3.3Å; S151-Q153 PolarHBondContact O-N 2.92Å; S151-V154 PolarHBondContact O-N 2.84Å; S151-E155 WeakPolarHBondContact O-CG 3.28Å; S151-E155 PolarHBondContact O-N 3.07Å |
| 152 | S | 92.5 | Very high | 93.5 | Very high | 57 Ų | 57 | 43.3 Ų | 43.3 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.5 | -28.7 | 178.8 | 80 | 0 | 0 | 0 | 0 | 113.6 | E150 R156 | E150-S152 PolarHBondContact O-N 2.72Å; E150-S152 VanDerWaalsContact O-N 3.15Å; S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 3.08Å; S152-R156 PolarHBondContact O-NE 3.24Å; S152-R156 VanDerWaalsContact O-NE 3.11Å; S152-R156 PolarHBondContact OG-NH2 2.88Å |
| 153 | Q | 92.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -82.5 | -40 | 175.8 | -69.3 | -69.3 | 12.7 | 0 | 0 | 110.5 | M89 E150 S151 E155 R156 E157 | M89-Q153 HydrophobicContact CE-CB 3.95Å; E150-Q153 HydrophobicContact CB-CB 4.42Å; E150-Q153 HydrophobicContact CB-CG 4.29Å; E150-Q153 PolarHBondContact O-N 3.33Å; S151-Q153 VanDerWaalsContact C-N 3.3Å; S151-Q153 PolarHBondContact O-N 2.92Å; Q153-E155 VanDerWaalsContact C-N 3.33Å; Q153-E155 PolarHBondContact O-N 3.02Å; Q153-R156 VanDerWaalsContact CD-CZ 3.48Å; Q153-R156 PolarHBondContact O-N 3.26Å; Q153-R156 VanDerWaalsContact O-N 3.11Å; Q153-E157 PolarHBondContact O-N 2.87Å |
| 154 | V | 94.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57 | -46.4 | 174 | 174.3 | 0 | 0 | 0 | 0 | 111 | F85 M89 E150 S151 R156 E157 R158 A206 M209 | F85-V154 HydrophobicContact CE1-CG1 3.97Å; F85-V154 HydrophobicContact CZ-CG1 3.85Å; F85-V154 WeakPolarHBondContact CZ-O 3.4Å; M89-V154 HydrophobicContact CE-CG2 3.81Å; M89-V154 HydrophobicContact SD-CG2 4.07Å; E150-V154 WeakPolarHBondContact O-CG2 3.45Å; E150-V154 PolarHBondContact O-N 2.75Å; S151-V154 PolarHBondContact O-N 2.84Å; V154-R156 VanDerWaalsContact C-N 3.31Å; V154-R156 PolarHBondContact O-N 3.41Å; V154-E157 PolarHBondContact O-N 3.03Å; V154-R158 WeakPolarHBondContact O-CB 3.41Å; V154-R158 PolarHBondContact O-N 3.32Å; V154-A206 HydrophobicContact CG2-CB 4.34Å; V154-M209 HydrophobicContact CB-CE 4.45Å; V154-M209 HydrophobicContact CG1-CE 3.95Å; V154-M209 HydrophobicContact CG2-CE 3.59Å |
| 155 | E | 95.5 | Very high | 93.7 | Very high | 110 Ų | 110 | 53 Ų | 53 | 51% | 0.514 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.2 | -31.2 | 177.6 | -66.8 | -49.2 | 135.4 | 0 | 0 | 113.4 | S151 Q153 R158 G159 | S151-E155 WeakPolarHBondContact O-CG 3.28Å; S151-E155 PolarHBondContact O-N 3.07Å; Q153-E155 VanDerWaalsContact C-N 3.33Å; Q153-E155 PolarHBondContact O-N 3.02Å; E155-R158 IonicContact OE1-CZ 2.83Å; E155-R158 IonicContact OE1-NE 3.15Å; E155-R158 PolarHBondContact OE1-NE 3.32Å; E155-R158 IonicContact OE1-NH2 2.66Å; E155-R158 PolarHBondContact OE1-NH2 3.05Å; E155-R158 IonicContact OE2-CZ 3.46Å; E155-R158 IonicContact OE2-NE 3.77Å; E155-R158 PolarHBondContact OE2-NE 3.08Å; E155-R158 IonicContact OE2-NH2 2.71Å; E155-G159 PolarHBondContact O-N 3.44Å |
| 156 | R | 94.8 | Very high | 93.9 | Very high | 135 Ų | 135 | 56.8 Ų | 56.8 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.6 | -50.2 | 174.7 | -85.4 | -176.5 | -89.4 | 161.7 | -7.4 | 111.5 | S152 Q153 V154 R158 G159 V160 | S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 3.08Å; S152-R156 PolarHBondContact O-NE 3.24Å; S152-R156 VanDerWaalsContact O-NE 3.11Å; S152-R156 PolarHBondContact OG-NH2 2.88Å; Q153-R156 VanDerWaalsContact CD-CZ 3.48Å; Q153-R156 PolarHBondContact O-N 3.26Å; Q153-R156 VanDerWaalsContact O-N 3.11Å; V154-R156 VanDerWaalsContact C-N 3.31Å; V154-R156 PolarHBondContact O-N 3.41Å; R156-R158 VanDerWaalsContact C-N 3.3Å; R156-R158 PolarHBondContact O-N 3.25Å; R156-G159 PolarHBondContact O-N 3.11Å; R156-G159 VanDerWaalsContact O-N 3.15Å; R156-V160 PolarHBondContact O-N 3.42Å |
| 157 | E | 95.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 60 Ų | 60 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.4 | -33.5 | 178.7 | -71.3 | -53.3 | 130.8 | 0 | 0 | 112.2 | F85 H88 M89 K92 Q153 V154 G159 V160 I161 | F85-E157 HydrophobicContact CE1-CB 4.19Å; H88-E157 IonicContact ND1-OE2 2.97Å; H88-E157 PolarHBondContact ND1-OE2 3.12Å; M89-E157 HydrophobicContact SD-CB 3.95Å; M89-E157 HydrophobicContact SD-CG 3.76Å; K92-E157 HydrophobicContact CD-CG 4.09Å; K92-E157 WeakPolarHBondContact CD-OE1 3.38Å; K92-E157 WeakPolarHBondContact CE-OE1 3.39Å; K92-E157 HydrophobicContact CG-CG 3.96Å; K92-E157 VanDerWaalsContact NZ-CD 3.25Å; K92-E157 IonicContact NZ-OE1 3.44Å; K92-E157 PolarHBondContact NZ-OE1 2.69Å; K92-E157 IonicContact NZ-OE2 2.71Å; K92-E157 PolarHBondContact NZ-OE2 3.21Å; Q153-E157 PolarHBondContact O-N 2.87Å; V154-E157 PolarHBondContact O-N 3.03Å; E157-G159 PolarHBondContact O-N 3.24Å; E157-V160 WeakPolarHBondContact O-CA 3.34Å; E157-V160 WeakPolarHBondContact O-CB 3.28Å; E157-V160 PolarHBondContact O-N 3.49Å; E157-I161 WeakPolarHBondContact O-CG1 3.22Å; E157-I161 PolarHBondContact O-N 2.83Å |
| 158 | R | 96.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 61.5 Ų | 61.5 | 6% | 0.064 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.3 | -43.7 | 171.7 | -167.1 | -171.6 | -52.5 | -65 | 3.6 | 111.9 | F85 V154 E155 R156 V160 I161 L162 V201 L204 | F85-R158 HydrophobicContact CE2-CB 4.13Å; F85-R158 HydrophobicContact CE2-CG 4.21Å; F85-R158 HydrophobicContact CZ-CB 3.87Å; F85-R158 HydrophobicContact CZ-CG 4.44Å; V154-R158 WeakPolarHBondContact O-CB 3.41Å; V154-R158 PolarHBondContact O-N 3.32Å; E155-R158 IonicContact OE1-CZ 2.83Å; E155-R158 IonicContact OE1-NE 3.15Å; E155-R158 PolarHBondContact OE1-NE 3.32Å; E155-R158 IonicContact OE1-NH2 2.66Å; E155-R158 PolarHBondContact OE1-NH2 3.05Å; E155-R158 IonicContact OE2-CZ 3.46Å; E155-R158 IonicContact OE2-NE 3.77Å; E155-R158 PolarHBondContact OE2-NE 3.08Å; E155-R158 IonicContact OE2-NH2 2.71Å; R156-R158 VanDerWaalsContact C-N 3.3Å; R156-R158 PolarHBondContact O-N 3.25Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-V160 PolarHBondContact O-N 3.46Å; R158-I161 PolarHBondContact O-N 3.22Å; R158-L162 HydrophobicContact CG-CD1 4.41Å; R158-L162 WeakPolarHBondContact O-CB 3.04Å; R158-L162 VanDerWaalsContact O-CG 3.29Å; R158-L162 WeakPolarHBondContact O-CG 3.44Å; R158-L162 PolarHBondContact O-N 2.91Å; R158-V201 HydrophobicContact CG-CG1 4.33Å; R158-V201 PolarHBondContact NH1-O 2.87Å; R158-L204 VanDerWaalsContact CZ-O 3.3Å; R158-L204 PolarHBondContact NH1-O 2.78Å; R158-L204 PolarHBondContact NH2-O 3.25Å |
| 159 | G | 96.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 64.4 Ų | 64.4 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.2 | -28 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E155 R156 E157 R163 | E155-G159 PolarHBondContact O-N 3.44Å; R156-G159 PolarHBondContact O-N 3.11Å; R156-G159 VanDerWaalsContact O-N 3.15Å; E157-G159 PolarHBondContact O-N 3.24Å; G159-R163 VanDerWaalsContact O-CZ 3.31Å; G159-R163 PolarHBondContact O-N 2.87Å; G159-R163 PolarHBondContact O-NH1 3.01Å; G159-R163 VanDerWaalsContact O-NH1 3.16Å |
| 160 | V | 96.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72 | -50.6 | 173.5 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | R156 E157 R158 L162 R163 E164 | R156-V160 PolarHBondContact O-N 3.42Å; E157-V160 WeakPolarHBondContact O-CA 3.34Å; E157-V160 WeakPolarHBondContact O-CB 3.28Å; E157-V160 PolarHBondContact O-N 3.49Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-V160 PolarHBondContact O-N 3.46Å; V160-L162 VanDerWaalsContact C-N 3.3Å; V160-L162 PolarHBondContact O-N 3Å; V160-R163 WeakPolarHBondContact O-CB 3.21Å; V160-R163 PolarHBondContact O-N 2.93Å; V160-E164 PolarHBondContact O-N 3.48Å |
| 161 | I | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 180 | -64.2 | 164.5 | 0 | 0 | 0 | 110.6 | F85 H88 E157 R158 R163 E164 M165 V201 | F85-I161 HydrophobicContact CB-CD1 4.19Å; F85-I161 HydrophobicContact CD1-CD1 3.83Å; F85-I161 HydrophobicContact CD2-CD1 3.59Å; F85-I161 HydrophobicContact CE1-CD1 4Å; F85-I161 HydrophobicContact CE2-CD1 3.79Å; F85-I161 HydrophobicContact CG-CD1 3.6Å; F85-I161 HydrophobicContact CZ-CD1 3.98Å; H88-I161 HydrophobicContact CB-CD1 4.22Å; E157-I161 WeakPolarHBondContact O-CG1 3.22Å; E157-I161 PolarHBondContact O-N 2.83Å; R158-I161 PolarHBondContact O-N 3.22Å; I161-R163 VanDerWaalsContact C-N 3.28Å; I161-R163 PolarHBondContact O-N 2.65Å; I161-E164 WeakPolarHBondContact O-CB 3.35Å; I161-E164 PolarHBondContact O-N 3.05Å; I161-M165 HydrophobicContact CG2-SD 4.48Å; I161-M165 VanDerWaalsContact O-CG 3.28Å; I161-M165 WeakPolarHBondContact O-CG 3.49Å; I161-M165 PolarHBondContact O-N 3.32Å; I161-V201 HydrophobicContact CB-CG1 4.39Å; I161-V201 HydrophobicContact CG2-CG1 3.85Å |
| 162 | L | 96.9 | Very high | 94.9 | Very high | 43 Ų | 43 | 66.5 Ų | 66.5 | 23% | 0.225 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -33.1 | 177.2 | -73 | 172.7 | 0 | 0 | 0 | 113.1 | R158 V160 M165 E166 A198 V201 K202 | R158-L162 HydrophobicContact CG-CD1 4.41Å; R158-L162 WeakPolarHBondContact O-CB 3.04Å; R158-L162 VanDerWaalsContact O-CG 3.29Å; R158-L162 WeakPolarHBondContact O-CG 3.44Å; R158-L162 PolarHBondContact O-N 2.91Å; V160-L162 VanDerWaalsContact C-N 3.3Å; V160-L162 PolarHBondContact O-N 3Å; L162-M165 HydrophobicContact CD2-SD 4.11Å; L162-E166 WeakPolarHBondContact O-CG 3.33Å; L162-E166 PolarHBondContact O-N 3.37Å; L162-A198 HydrophobicContact CD2-CB 4.17Å; L162-V201 HydrophobicContact CD2-CB 4.49Å; L162-V201 HydrophobicContact CD2-CG1 4.17Å; L162-V201 HydrophobicContact CG-CG1 4.35Å; L162-K202 HydrophobicContact CD1-CG 4.24Å; L162-K202 HydrophobicContact CD2-CG 4.49Å |
| 163 | R | 96.6 | Very high | 95 | Very high | 134 Ų | 134 | 67 Ų | 67 | 51% | 0.506 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.6 | -40.2 | 173.7 | -73.7 | -171 | -62.5 | -89 | 0.3 | 111.8 | G159 V160 I161 M165 E166 E167 | G159-R163 VanDerWaalsContact O-CZ 3.31Å; G159-R163 PolarHBondContact O-N 2.87Å; G159-R163 PolarHBondContact O-NH1 3.01Å; G159-R163 VanDerWaalsContact O-NH1 3.16Å; V160-R163 WeakPolarHBondContact O-CB 3.21Å; V160-R163 PolarHBondContact O-N 2.93Å; I161-R163 VanDerWaalsContact C-N 3.28Å; I161-R163 PolarHBondContact O-N 2.65Å; R163-M165 VanDerWaalsContact C-N 3.27Å; R163-M165 PolarHBondContact O-N 3.19Å; R163-E166 WeakPolarHBondContact O-CA 2.97Å; R163-E166 WeakPolarHBondContact O-CB 3.47Å; R163-E166 PolarHBondContact O-N 2.7Å; R163-E167 WeakPolarHBondContact O-CG 3.47Å; R163-E167 PolarHBondContact O-N 3.13Å |
| 164 | E | 95.8 | Very high | 95.2 | Very high | 53 Ų | 53 | 70.3 Ų | 70.3 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 174.9 | 179 | 179 | -166.6 | 0 | 0 | 111.6 | H84 H88 V160 I161 E166 E167 I168 | H84-E164 IonicContact CE1-OE1 3.59Å; H84-E164 IonicContact CE1-OE2 3.67Å; H84-E164 PolarHBondContact CE1-OE2 2.94Å; H84-E164 IonicContact NE2-OE1 2.77Å; H84-E164 IonicContact NE2-OE2 2.85Å; H88-E164 IonicContact CE1-OE2 3.72Å; H88-E164 PolarHBondContact CE1-OE2 3.36Å; H88-E164 IonicContact NE2-OE2 2.91Å; H88-E164 PolarHBondContact NE2-OE2 3.11Å; H88-E164 VanDerWaalsContact NE2-OE2 3.13Å; V160-E164 PolarHBondContact O-N 3.48Å; I161-E164 WeakPolarHBondContact O-CB 3.35Å; I161-E164 PolarHBondContact O-N 3.05Å; E164-E166 VanDerWaalsContact C-N 3.28Å; E164-E166 PolarHBondContact O-N 3.06Å; E164-E167 PolarHBondContact O-N 3.18Å; E164-E167 VanDerWaalsContact O-N 3.11Å; E164-I168 HydrophobicContact CG-CD1 3.85Å; E164-I168 HydrophobicContact CG-CG1 4.42Å; E164-I168 WeakPolarHBondContact O-CG1 3.17Å; E164-I168 PolarHBondContact O-N 3.16Å |
| 165 | M | 95.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 70.6 Ų | 70.6 | 18% | 0.177 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 172.1 | -69.2 | 177.1 | 77.3 | 0 | 0 | 111.6 | I161 L162 R163 E169 L195 G196 A198 V201 | I161-M165 HydrophobicContact CG2-SD 4.48Å; I161-M165 VanDerWaalsContact O-CG 3.28Å; I161-M165 WeakPolarHBondContact O-CG 3.49Å; I161-M165 PolarHBondContact O-N 3.32Å; L162-M165 HydrophobicContact CD2-SD 4.11Å; R163-M165 VanDerWaalsContact C-N 3.27Å; R163-M165 PolarHBondContact O-N 3.19Å; M165-E169 WeakPolarHBondContact O-CG 3.47Å; M165-E169 PolarHBondContact O-N 3.38Å; M165-L195 HydrophobicContact CG-CB 4.35Å; M165-L195 HydrophobicContact CG-CD1 3.94Å; M165-G196 VanDerWaalsContact CE-O 3.24Å; M165-G196 WeakPolarHBondContact CE-O 3.33Å; M165-A198 HydrophobicContact CE-CB 3.95Å; M165-A198 HydrophobicContact SD-CB 4.41Å; M165-V201 HydrophobicContact SD-CG2 4.08Å |
| 166 | E | 94.4 | Very high | 95.4 | Very high | 148 Ų | 148 | 65.3 Ų | 65.3 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.9 | -35.9 | 175.4 | -66.1 | 171.1 | 178.4 | 0 | 0 | 112.3 | L162 R163 E164 | L162-E166 WeakPolarHBondContact O-CG 3.33Å; L162-E166 PolarHBondContact O-N 3.37Å; R163-E166 WeakPolarHBondContact O-CA 2.97Å; R163-E166 WeakPolarHBondContact O-CB 3.47Å; R163-E166 PolarHBondContact O-N 2.7Å; E164-E166 VanDerWaalsContact C-N 3.28Å; E164-E166 PolarHBondContact O-N 3.06Å |
| 167 | E | 95 | Very high | 95.6 | Very high | 134 Ų | 134 | 60.1 Ų | 60.1 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.4 | -38.5 | 177.6 | -71.4 | 176.7 | -168.3 | 0 | 0 | 112 | R163 E164 E169 S170 | R163-E167 WeakPolarHBondContact O-CG 3.47Å; R163-E167 PolarHBondContact O-N 3.13Å; E164-E167 PolarHBondContact O-N 3.18Å; E164-E167 VanDerWaalsContact O-N 3.11Å; E167-E169 VanDerWaalsContact C-N 3.27Å; E167-E169 PolarHBondContact O-N 3.22Å; E167-S170 WeakPolarHBondContact O-CB 3.34Å; E167-S170 PolarHBondContact O-N 3.34Å; E167-S170 PolarHBondContact O-OG 2.69Å |
| 168 | I | 93.6 | Very high | 95.7 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.6 | -30.6 | 179.9 | -72.1 | 168.3 | 0 | 0 | 0 | 111.9 | E164 S170 N171 E174 L195 | E164-I168 HydrophobicContact CG-CD1 3.85Å; E164-I168 HydrophobicContact CG-CG1 4.42Å; E164-I168 WeakPolarHBondContact O-CG1 3.17Å; E164-I168 PolarHBondContact O-N 3.16Å; I168-S170 PolarHBondContact O-N 2.89Å; I168-S170 VanDerWaalsContact O-N 3.12Å; I168-N171 WeakPolarHBondContact O-CA 3.33Å; I168-N171 PolarHBondContact O-N 2.99Å; I168-E174 HydrophobicContact CG2-CB 4.43Å; I168-L195 HydrophobicContact CD1-CD1 3.48Å; I168-L195 VanDerWaalsContact CD1-CD1 3.48Å; I168-L195 HydrophobicContact CD1-CD2 4.19Å; I168-L195 HydrophobicContact CD1-CG 4.34Å |
| 169 | E | 91.9 | Very high | 95.8 | Very high | 118 Ų | 118 | 63 Ų | 63 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.6 | 173.1 | -66.9 | -67.5 | 166.3 | 0 | 0 | 112.7 | M165 E167 N171 | M165-E169 WeakPolarHBondContact O-CG 3.47Å; M165-E169 PolarHBondContact O-N 3.38Å; E167-E169 VanDerWaalsContact C-N 3.27Å; E167-E169 PolarHBondContact O-N 3.22Å; E169-N171 VanDerWaalsContact C-N 3.34Å |
| 170 | S | 92.1 | Very high | 95.9 | Very high | 85 Ų | 85 | 61.8 Ų | 61.8 | 59% | 0.594 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -15.2 | 174 | 77.3 | 0 | 0 | 0 | 0 | 113.7 | E167 I168 Y172 | E167-S170 WeakPolarHBondContact O-CB 3.34Å; E167-S170 PolarHBondContact O-N 3.34Å; E167-S170 PolarHBondContact O-OG 2.69Å; I168-S170 PolarHBondContact O-N 2.89Å; I168-S170 VanDerWaalsContact O-N 3.12Å; S170-Y172 PolarHBondContact O-N 3.46Å |
| 171 | N | 95.1 | Very high | 96 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | trans | -94.8 | 84.5 | 174.2 | -173.4 | -9.2 | 0 | 0 | 0 | 110.5 | I168 E169 Q173 E174 V175 | I168-N171 WeakPolarHBondContact O-CA 3.33Å; I168-N171 PolarHBondContact O-N 2.99Å; E169-N171 VanDerWaalsContact C-N 3.34Å; N171-Q173 PolarHBondContact O-N 3.3Å; N171-Q173 PolarHBondContact OD1-N 3.08Å; N171-E174 WeakPolarHBondContact ND2-CG 3.35Å; N171-E174 PolarHBondContact O-N 3.37Å; N171-E174 VanDerWaalsContact O-N 3.08Å; N171-V175 PolarHBondContact O-N 3.42Å | ||
| 172 | Y | 95.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.6 | -24.3 | -176.7 | -53.7 | -57.5 | 0 | 0 | 0 | 114.7 | S170 V176 M276 H280 I453 | S170-Y172 PolarHBondContact O-N 3.46Å; Y172-V176 WeakPolarHBondContact O-CB 3.24Å; Y172-V176 WeakPolarHBondContact O-CG2 3.41Å; Y172-V176 PolarHBondContact O-N 2.83Å; Y172-M276 HydrophobicContact CD1-CE 3.64Å; Y172-M276 HydrophobicContact CD1-SD 4.5Å; Y172-M276 HydrophobicContact CD2-CE 3.72Å; Y172-M276 HydrophobicContact CE1-CE 3.59Å; Y172-M276 HydrophobicContact CE1-SD 4.15Å; Y172-M276 HydrophobicContact CE2-CE 3.68Å; Y172-M276 HydrophobicContact CG-CE 3.7Å; Y172-H280 AromaticContact CD2-NE2 3.68Å; Y172-I453 HydrophobicContact CD1-CD1 4.22Å |
| 173 | Q | 96 | Very high | 96.1 | Very high | 66 Ų | 66 | 60 Ų | 60 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 176.4 | -179.1 | 171.3 | -37.8 | 0 | 0 | 110.9 | N171 V176 F177 Y351 | N171-Q173 PolarHBondContact O-N 3.3Å; N171-Q173 PolarHBondContact OD1-N 3.08Å; Q173-V176 PolarHBondContact O-N 3.31Å; Q173-F177 HydrophobicContact CG-CD2 3.88Å; Q173-F177 HydrophobicContact CG-CE2 3.78Å; Q173-F177 WeakPolarHBondContact O-CD2 3.31Å; Q173-F177 PolarHBondContact O-N 3.03Å; Q173-Y351 HydrophobicContact CB-CE1 4.27Å; Q173-Y351 HydrophobicContact CB-CE2 4.43Å; Q173-Y351 WeakPolarHBondContact CB-OH 3.4Å; Q173-Y351 HydrophobicContact CG-CD1 4.35Å; Q173-Y351 HydrophobicContact CG-CE1 3.84Å; Q173-Y351 HydrophobicContact CG-CE2 4.22Å |
| 174 | E | 96 | Very high | 96.2 | Very high | 92 Ų | 92 | 53.7 Ų | 53.7 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 178.6 | -66.3 | -61.2 | 154.9 | 0 | 0 | 111 | I168 N171 V176 F177 D178 | I168-E174 HydrophobicContact CG2-CB 4.43Å; N171-E174 WeakPolarHBondContact ND2-CG 3.35Å; N171-E174 PolarHBondContact O-N 3.37Å; N171-E174 VanDerWaalsContact O-N 3.08Å; E174-V176 VanDerWaalsContact C-N 3.33Å; E174-V176 PolarHBondContact O-N 2.97Å; E174-F177 CarbonylContact O-C 2.95Å; E174-F177 PolarHBondContact O-N 3.49Å; E174-F177 VanDerWaalsContact O-N 3.07Å; E174-D178 PolarHBondContact O-N 2.93Å |
| 175 | V | 97.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.4 | -46.4 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | N171 F177 D178 Y179 I453 | N171-V175 PolarHBondContact O-N 3.42Å; V175-F177 VanDerWaalsContact C-N 3.34Å; V175-F177 PolarHBondContact O-N 3.34Å; V175-D178 PolarHBondContact O-N 3.16Å; V175-Y179 HydrophobicContact CG1-CD2 4.19Å; V175-Y179 HydrophobicContact CG1-CE1 4.33Å; V175-Y179 HydrophobicContact CG1-CE2 3.82Å; V175-Y179 WeakPolarHBondContact O-CB 3.44Å; V175-Y179 PolarHBondContact O-N 3.49Å; V175-I453 HydrophobicContact CG1-CD1 4.19Å |
| 176 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 176.8 | 168 | 0 | 0 | 0 | 0 | 111.7 | Y172 Q173 E174 Y179 L180 H280 A282 Y351 A451 I453 | Y172-V176 WeakPolarHBondContact O-CB 3.24Å; Y172-V176 WeakPolarHBondContact O-CG2 3.41Å; Y172-V176 PolarHBondContact O-N 2.83Å; Q173-V176 PolarHBondContact O-N 3.31Å; E174-V176 VanDerWaalsContact C-N 3.33Å; E174-V176 PolarHBondContact O-N 2.97Å; V176-Y179 PolarHBondContact O-N 3.38Å; V176-L180 VanDerWaalsContact O-CB 3.27Å; V176-L180 WeakPolarHBondContact O-CB 3.29Å; V176-L180 PolarHBondContact O-N 2.98Å; V176-H280 HydrophobicContact CG2-CB 3.9Å; V176-A282 HydrophobicContact CG1-CB 3.51Å; V176-Y351 HydrophobicContact CB-CE2 4.33Å; V176-Y351 HydrophobicContact CG1-CD2 4.17Å; V176-Y351 HydrophobicContact CG1-CE2 4.21Å; V176-A451 HydrophobicContact CG1-CB 4.23Å; V176-I453 HydrophobicContact CG2-CB 4.28Å; V176-I453 HydrophobicContact CG2-CG2 3.42Å; V176-I453 VanDerWaalsContact CG2-CG2 3.42Å |
| 177 | F | 98.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68 | -37.5 | 176.6 | -84.7 | -67 | 0 | 0 | 0 | 112.2 | Q173 E174 V175 L180 H181 F338 Y351 | Q173-F177 HydrophobicContact CG-CD2 3.88Å; Q173-F177 HydrophobicContact CG-CE2 3.78Å; Q173-F177 WeakPolarHBondContact O-CD2 3.31Å; Q173-F177 PolarHBondContact O-N 3.03Å; E174-F177 CarbonylContact O-C 2.95Å; E174-F177 PolarHBondContact O-N 3.49Å; E174-F177 VanDerWaalsContact O-N 3.07Å; V175-F177 VanDerWaalsContact C-N 3.34Å; V175-F177 PolarHBondContact O-N 3.34Å; F177-L180 HydrophobicContact CD1-CD2 4.14Å; F177-L180 HydrophobicContact CE1-CD2 4.34Å; F177-L180 WeakPolarHBondContact O-CB 3.28Å; F177-L180 PolarHBondContact O-N 3.45Å; F177-H181 PolarHBondContact O-N 2.7Å; F177-H181 PolarHBondContact O-ND1 2.96Å; F177-F338 HydrophobicContact CE1-CB 4.41Å; F177-F338 AromaticContact CE1-CD1 3.62Å; F177-F338 HydrophobicContact CE1-CD1 3.62Å; F177-F338 AromaticContact CE1-CD2 3.84Å; F177-F338 HydrophobicContact CE1-CD2 3.84Å; F177-F338 AromaticContact CE1-CE1 3.64Å; F177-F338 HydrophobicContact CE1-CE1 3.64Å; F177-F338 AromaticContact CE1-CE2 3.91Å; F177-F338 HydrophobicContact CE1-CE2 3.91Å; F177-F338 AromaticContact CE1-CG 3.7Å; F177-F338 HydrophobicContact CE1-CG 3.7Å; F177-F338 AromaticContact CE1-CZ 3.81Å; F177-F338 HydrophobicContact CE1-CZ 3.81Å; F177-F338 HydrophobicContact CZ-CB 4.22Å; F177-F338 AromaticContact CZ-CD1 3.53Å; F177-F338 HydrophobicContact CZ-CD1 3.53Å; F177-F338 HydrophobicContact CZ-CD2 4.43Å; F177-F338 AromaticContact CZ-CE1 3.88Å; F177-F338 HydrophobicContact CZ-CE1 3.88Å; F177-F338 AromaticContact CZ-CG 3.82Å; F177-F338 HydrophobicContact CZ-CG 3.82Å; F177-F338 HydrophobicContact CZ-CZ 4.49Å; F177-Y351 HydrophobicContact CE2-CG 4.36Å |
| 178 | D | 97.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 174.7 | -88.2 | -8.7 | 0 | 0 | 0 | 111.6 | R119 E174 V175 L180 H181 A182 T193 | R119-D178 IonicContact CZ-OD1 3.51Å; R119-D178 IonicContact NH1-OD1 2.74Å; R119-D178 IonicContact NH2-OD1 3.46Å; R119-D178 PolarHBondContact NH2-OD1 2.77Å; E174-D178 PolarHBondContact O-N 2.93Å; V175-D178 PolarHBondContact O-N 3.16Å; D178-L180 VanDerWaalsContact C-N 3.31Å; D178-L180 PolarHBondContact O-N 3.38Å; D178-H181 PolarHBondContact O-N 3.27Å; D178-A182 VanDerWaalsContact O-CB 3.32Å; D178-A182 WeakPolarHBondContact O-CB 3.28Å; D178-A182 PolarHBondContact O-N 2.9Å; D178-T193 HydrophobicContact CB-CG2 3.9Å; D178-T193 VanDerWaalsContact OD2-CG2 3.32Å; D178-T193 WeakPolarHBondContact OD2-CG2 3.44Å |
| 179 | Y | 97.9 | Very high | 96.4 | Very high | 63 Ų | 63 | 44 Ų | 44 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 170.8 | -76.4 | -3.1 | 0 | 0 | 0 | 112.6 | V175 V176 A182 T183 I269 D271 | V175-Y179 HydrophobicContact CG1-CD2 4.19Å; V175-Y179 HydrophobicContact CG1-CE1 4.33Å; V175-Y179 HydrophobicContact CG1-CE2 3.82Å; V175-Y179 WeakPolarHBondContact O-CB 3.44Å; V175-Y179 PolarHBondContact O-N 3.49Å; V176-Y179 PolarHBondContact O-N 3.38Å; Y179-A182 PolarHBondContact O-N 3.48Å; Y179-T183 WeakPolarHBondContact O-CG2 3.49Å; Y179-T183 PolarHBondContact O-N 3Å; Y179-I269 HydrophobicContact CD1-CD1 4.21Å; Y179-I269 HydrophobicContact CD2-CD1 4.43Å; Y179-I269 HydrophobicContact CG-CD1 4.11Å; Y179-I269 HydrophobicContact CG-CG2 4.38Å; Y179-D271 HydrophobicContact CD2-CB 4.47Å; Y179-D271 HydrophobicContact CE2-CB 3.69Å; Y179-D271 WeakPolarHBondContact CE2-OD2 3.3Å; Y179-D271 PolarHBondContact OH-OD2 2.88Å |
| 180 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 177.3 | -176.6 | 68.6 | 0 | 0 | 0 | 111.4 | V176 F177 D178 T183 A184 A282 A284 F338 L347 A449 A451 | V176-L180 VanDerWaalsContact O-CB 3.27Å; V176-L180 WeakPolarHBondContact O-CB 3.29Å; V176-L180 PolarHBondContact O-N 2.98Å; F177-L180 HydrophobicContact CD1-CD2 4.14Å; F177-L180 HydrophobicContact CE1-CD2 4.34Å; F177-L180 WeakPolarHBondContact O-CB 3.28Å; F177-L180 PolarHBondContact O-N 3.45Å; D178-L180 VanDerWaalsContact C-N 3.31Å; D178-L180 PolarHBondContact O-N 3.38Å; L180-T183 WeakPolarHBondContact O-CG2 3.37Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.77Å; L180-A282 HydrophobicContact CD2-CB 3.97Å; L180-A284 HydrophobicContact CD1-CB 4.2Å; L180-A284 HydrophobicContact CD2-CB 3.97Å; L180-A284 HydrophobicContact CG-CB 4.49Å; L180-F338 HydrophobicContact CD2-CE2 3.98Å; L180-F338 HydrophobicContact CD2-CZ 3.57Å; L180-L347 HydrophobicContact CD2-CD1 4.07Å; L180-L347 HydrophobicContact CG-CD1 4.21Å; L180-A449 HydrophobicContact CD1-CB 4.01Å; L180-A451 HydrophobicContact CB-CB 3.89Å; L180-A451 HydrophobicContact CD1-CB 4.28Å |
| 181 | H | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 176 | -75.1 | 82 | 0 | 0 | 0 | 111.3 | F177 D178 T183 A184 Y185 G191 Y342 L347 | F177-H181 PolarHBondContact O-N 2.7Å; F177-H181 PolarHBondContact O-ND1 2.96Å; D178-H181 PolarHBondContact O-N 3.27Å; H181-T183 PolarHBondContact O-N 2.85Å; H181-A184 PolarHBondContact O-N 3.32Å; H181-Y185 WeakPolarHBondContact O-CB 3.48Å; H181-Y185 PolarHBondContact O-N 3.22Å; H181-G191 WeakPolarHBondContact O-CA 3.44Å; H181-Y342 PolarHBondContact CD2-OH 3.44Å; H181-Y342 AromaticContact NE2-CE2 3.78Å; H181-Y342 AromaticContact NE2-CZ 3.73Å; H181-Y342 PolarHBondContact NE2-OH 2.87Å; H181-L347 WeakPolarHBondContact NE2-CD1 3.17Å |
| 182 | A | 97.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 34 Ų | 34 | 31% | 0.306 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.1 | -43.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D178 Y179 Q186 G191 | D178-A182 VanDerWaalsContact O-CB 3.32Å; D178-A182 WeakPolarHBondContact O-CB 3.28Å; D178-A182 PolarHBondContact O-N 2.9Å; Y179-A182 PolarHBondContact O-N 3.48Å; A182-Q186 WeakPolarHBondContact O-CA 3.48Å; A182-Q186 WeakPolarHBondContact O-CB 3.26Å; A182-Q186 PolarHBondContact O-N 2.87Å; A182-G191 WeakPolarHBondContact CA-O 3.25Å |
| 183 | T | 97.9 | Very high | 97 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.7 | -44.6 | 178.3 | -160.8 | 0 | 0 | 0 | 0 | 111.8 | Y179 L180 H181 Y185 Q186 S267 I269 A449 | Y179-T183 WeakPolarHBondContact O-CG2 3.49Å; Y179-T183 PolarHBondContact O-N 3Å; L180-T183 WeakPolarHBondContact O-CG2 3.37Å; H181-T183 PolarHBondContact O-N 2.85Å; T183-Y185 PolarHBondContact O-N 2.78Å; T183-Q186 PolarHBondContact O-NE2 3.13Å; T183-S267 PolarHBondContact O-OG 3.28Å; T183-S267 WeakPolarHBondContact OG1-CB 3.2Å; T183-S267 PolarHBondContact OG1-OG 3.3Å; T183-I269 HydrophobicContact CG2-CG2 4.17Å; T183-A449 HydrophobicContact CG2-CB 4.28Å |
| 184 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L180 H181 F264 T265 L347 A449 | L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 2.77Å; H181-A184 PolarHBondContact O-N 3.32Å; A184-F264 HydrophobicContact CB-CD2 4.05Å; A184-F264 HydrophobicContact CB-CE2 3.78Å; A184-F264 CarbonylContact O-C 3.59Å; A184-F264 WeakPolarHBondContact O-CA 3.4Å; A184-T265 PolarHBondContact O-N 3.03Å; A184-L347 HydrophobicContact CB-CD2 3.94Å; A184-A449 HydrophobicContact CB-CB 3.6Å |
| 185 | Y | 98 | Very high | 97 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 32.8 | -175.2 | -63.7 | -60.5 | 0 | 0 | 0 | 112.2 | H181 T183 G187 T188 L190 C262 F264 Y342 T345 S346 L347 | H181-Y185 WeakPolarHBondContact O-CB 3.48Å; H181-Y185 PolarHBondContact O-N 3.22Å; T183-Y185 PolarHBondContact O-N 2.78Å; Y185-G187 PolarHBondContact O-N 3.4Å; Y185-T188 WeakPolarHBondContact CB-OG1 3.48Å; Y185-T188 WeakPolarHBondContact O-CB 3.29Å; Y185-T188 PolarHBondContact O-N 3.34Å; Y185-T188 PolarHBondContact O-OG1 3.36Å; Y185-L190 HydrophobicContact CD1-CD1 4.46Å; Y185-L190 HydrophobicContact CD2-CB 3.87Å; Y185-L190 HydrophobicContact CD2-CD1 4.29Å; Y185-L190 HydrophobicContact CE1-CD1 4.4Å; Y185-L190 HydrophobicContact CE2-CD1 4.21Å; Y185-L190 HydrophobicContact CG-CB 3.84Å; Y185-L190 HydrophobicContact CG-CD1 4.42Å; Y185-C262 HydrophobicContact CD1-CB 4.12Å; Y185-F264 HydrophobicContact CE1-CB 4.13Å; Y185-F264 HydrophobicContact CE1-CD2 4.09Å; Y185-Y342 HydrophobicContact CE2-CE2 4.34Å; Y185-T345 HydrophobicContact CE1-CG2 3.67Å; Y185-T345 VanDerWaalsContact OH-CG2 3.26Å; Y185-T345 WeakPolarHBondContact OH-CG2 3.47Å; Y185-T345 PolarHBondContact OH-OG1 3.33Å; Y185-S346 PolarHBondContact OH-O 3.13Å; Y185-L347 HydrophobicContact CE2-CD1 4.1Å; Y185-L347 HydrophobicContact CE2-CD2 3.71Å; Y185-L347 HydrophobicContact CE2-CG 3.81Å |
| 186 | Q | 96.1 | Very high | 96.9 | Very high | 79 Ų | 79 | 26.5 Ų | 26.5 | 37% | 0.369 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 133 | -177.8 | 62.9 | -177.9 | -77.4 | 0 | 0 | 113.1 | A182 T183 T188 T265 S267 | A182-Q186 WeakPolarHBondContact O-CA 3.48Å; A182-Q186 WeakPolarHBondContact O-CB 3.26Å; A182-Q186 PolarHBondContact O-N 2.87Å; T183-Q186 PolarHBondContact O-NE2 3.13Å; Q186-T188 PolarHBondContact O-N 3Å; Q186-T265 HydrophobicContact CG-CG2 4.4Å; Q186-T265 VanDerWaalsContact NE2-CG2 3.26Å; Q186-S267 PolarHBondContact NE2-OG 3.37Å; Q186-S267 VanDerWaalsContact NE2-OG 3.14Å |
| 187 | G | 93.8 | Very high | 96.8 | Very high | 91 Ų | 91 | 29.2 Ų | 29.2 | 94% | 0.938 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 9.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y185 | Y185-G187 PolarHBondContact O-N 3.4Š|
| 188 | T | 95.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -119.2 | 161.7 | 176 | 81.7 | 0 | 0 | 0 | 0 | 111 | Y185 Q186 L190 G191 C262 R263 | Y185-T188 WeakPolarHBondContact CB-OG1 3.48Å; Y185-T188 WeakPolarHBondContact O-CB 3.29Å; Y185-T188 PolarHBondContact O-N 3.34Å; Y185-T188 PolarHBondContact O-OG1 3.36Å; Q186-T188 PolarHBondContact O-N 3Å; T188-L190 VanDerWaalsContact C-N 3.27Å; T188-L190 PolarHBondContact O-N 3.38Å; T188-G191 PolarHBondContact O-N 2.86Å; T188-G191 VanDerWaalsContact O-N 3.08Å; T188-C262 HydrophobicContact CG2-CB 4.48Å; T188-R263 HydrophobicContact CG2-CB 4.49Å |
| 189 | P | 95.4 | Very high | 96.7 | Very high | 26 Ų | 26 | 36 Ų | 36 | 17% | 0.169 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -59.2 | -31.8 | 179.7 | -25.7 | 35.3 | 0 | 0 | 0 | 114.7 | R73 G191 R192 | R73-P189 HydrophobicContact CG-CB 4.01Å; R73-P189 VanDerWaalsContact O-CB 3.29Å; R73-P189 WeakPolarHBondContact O-CB 3.17Å; P189-G191 PolarHBondContact O-N 3.49Å; P189-R192 PolarHBondContact O-N 2.9Å |
| 190 | L | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -67.6 | -21.4 | 177.1 | -84.7 | -177.8 | 0 | 0 | 0 | 113.8 | R73 R119 Y185 T188 R192 C262 Y342 T345 | R73-L190 HydrophobicContact CB-CD2 4.31Å; R73-L190 HydrophobicContact CG-CD2 4.1Å; R73-L190 HydrophobicContact CG-CG 4.15Å; R119-L190 HydrophobicContact CB-CD2 4.08Å; R119-L190 PolarHBondContact NE-O 2.75Å; Y185-L190 HydrophobicContact CD1-CD1 4.46Å; Y185-L190 HydrophobicContact CD2-CB 3.87Å; Y185-L190 HydrophobicContact CD2-CD1 4.29Å; Y185-L190 HydrophobicContact CE1-CD1 4.4Å; Y185-L190 HydrophobicContact CE2-CD1 4.21Å; Y185-L190 HydrophobicContact CG-CB 3.84Å; Y185-L190 HydrophobicContact CG-CD1 4.42Å; T188-L190 VanDerWaalsContact C-N 3.27Å; T188-L190 PolarHBondContact O-N 3.38Å; L190-R192 PolarHBondContact O-N 2.63Å; L190-C262 HydrophobicContact CB-CB 4.25Å; L190-C262 HydrophobicContact CD1-CB 3.72Å; L190-C262 HydrophobicContact CG-CB 4.18Å; L190-Y342 HydrophobicContact CD1-CD2 3.7Å; L190-Y342 HydrophobicContact CD1-CE2 4.2Å; L190-Y342 HydrophobicContact CD1-CG 4.03Å; L190-Y342 HydrophobicContact CD2-CD1 3.98Å; L190-Y342 HydrophobicContact CD2-CD2 4.06Å; L190-Y342 HydrophobicContact CD2-CE1 3.98Å; L190-Y342 HydrophobicContact CD2-CE2 4.03Å; L190-Y342 HydrophobicContact CD2-CG 4.03Å; L190-T345 HydrophobicContact CD1-CG2 3.59Å |
| 191 | G | 96.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -75.7 | -10.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H181 A182 T188 P189 | H181-G191 WeakPolarHBondContact O-CA 3.44Å; A182-G191 WeakPolarHBondContact CA-O 3.25Å; T188-G191 PolarHBondContact O-N 2.86Å; T188-G191 VanDerWaalsContact O-N 3.08Å; P189-G191 PolarHBondContact O-N 3.49Å |
| 192 | R | 96.2 | Very high | 96.4 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 21% | 0.211 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -81.6 | 148.1 | 177.9 | -57.3 | -179 | -169.9 | 133.4 | 0.1 | 110.6 | E75 P189 L190 | E75-R192 PolarHBondContact O-NH1 2.87Å; P189-R192 PolarHBondContact O-N 2.9Å; L190-R192 PolarHBondContact O-N 2.63Å |
| 193 | T | 96.9 | Very high | 96.3 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 24% | 0.239 | 25% | 0.248 | C | C | . | . | trans | -75.3 | 162.3 | 173.6 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | N80 D178 G196 | N80-T193 PolarHBondContact ND2-O 3.18Å; D178-T193 HydrophobicContact CB-CG2 3.9Å; D178-T193 VanDerWaalsContact OD2-CG2 3.32Å; D178-T193 WeakPolarHBondContact OD2-CG2 3.44Å; T193-G196 PolarHBondContact OG1-N 2.89Å | ||
| 194 | I | 97 | Very high | 96.2 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 18% | 0.179 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -72.1 | -40.3 | 179.6 | -63.6 | 163.5 | 0 | 0 | 0 | 110.6 | H84 T117 R119 G196 | H84-I194 HydrophobicContact CB-CG2 4.29Å; T117-I194 HydrophobicContact CG2-CG2 4.05Å; R119-I194 HydrophobicContact CG-CG1 4.09Å; I194-G196 VanDerWaalsContact C-N 3.31Å; I194-G196 PolarHBondContact O-N 3.25Å |
| 195 | L | 96.4 | Very high | 96 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -68.6 | -31.3 | 178.6 | -56.9 | 171.7 | 0 | 0 | 0 | 112.6 | G81 H84 M165 I168 V201 | G81-L195 WeakPolarHBondContact CA-O 3.36Å; H84-L195 WeakPolarHBondContact CE1-CD2 3.47Å; H84-L195 WeakPolarHBondContact ND1-CD2 3.36Å; M165-L195 HydrophobicContact CG-CB 4.35Å; M165-L195 HydrophobicContact CG-CD1 3.94Å; I168-L195 HydrophobicContact CD1-CD1 3.48Å; I168-L195 VanDerWaalsContact CD1-CD1 3.48Å; I168-L195 HydrophobicContact CD1-CD2 4.19Å; I168-L195 HydrophobicContact CD1-CG 4.34Å; L195-V201 WeakPolarHBondContact O-CG2 3.3Å |
| 196 | G | 95.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | trans | 72.2 | 174.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N80 M165 T193 I194 | N80-G196 WeakPolarHBondContact OD1-CA 3.36Å; M165-G196 VanDerWaalsContact CE-O 3.24Å; M165-G196 WeakPolarHBondContact CE-O 3.33Å; T193-G196 PolarHBondContact OG1-N 2.89Å; I194-G196 VanDerWaalsContact C-N 3.31Å; I194-G196 PolarHBondContact O-N 3.25Å | ||
| 197 | P | 95.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | trans | -71.9 | 146.5 | -178.3 | 28.6 | -33.1 | 0 | 0 | 0 | 111.1 | N80 E199 N200 V201 | N80-P197 VanDerWaalsContact OD1-CD 3.26Å; N80-P197 WeakPolarHBondContact OD1-CD 3.42Å; P197-E199 PolarHBondContact O-N 3.14Å; P197-E199 VanDerWaalsContact O-N 3.08Å; P197-N200 HydrophobicContact CG-CB 3.82Å; P197-N200 WeakPolarHBondContact O-CB 3.41Å; P197-N200 PolarHBondContact O-N 3.35Å; P197-V201 PolarHBondContact O-N 3.44Å | ||
| 198 | A | 95.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.6 | -28.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L162 M165 K202 | L162-A198 HydrophobicContact CD2-CB 4.17Å; M165-A198 HydrophobicContact CE-CB 3.95Å; M165-A198 HydrophobicContact SD-CB 4.41Å; A198-K202 WeakPolarHBondContact O-CB 3.41Å; A198-K202 WeakPolarHBondContact O-CD 3.48Å; A198-K202 WeakPolarHBondContact O-CG 3.26Å; A198-K202 PolarHBondContact O-N 2.97Å |
| 199 | E | 96.5 | Very high | 95.7 | Very high | 159 Ų | 159 | 45 Ų | 45 | 74% | 0.743 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.9 | -44.9 | 174.5 | -62.4 | -175.6 | 171.7 | 0 | 0 | 112.1 | P197 K202 S203 | P197-E199 PolarHBondContact O-N 3.14Å; P197-E199 VanDerWaalsContact O-N 3.08Å; E199-K202 PolarHBondContact O-N 3.45Å; E199-S203 PolarHBondContact O-N 3.44Å; E199-S203 VanDerWaalsContact O-N 3.15Å; E199-S203 PolarHBondContact O-OG 2.76Å |
| 200 | N | 96.3 | Very high | 95.5 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 174.5 | -76.3 | 11.8 | 0 | 0 | 0 | 110.1 | E77 H78 N80 P197 K202 S203 L204 | E77-N200 PolarHBondContact O-ND2 2.77Å; H78-N200 PolarHBondContact O-ND2 2.62Å; N80-N200 WeakPolarHBondContact O-CB 3.27Å; N80-N200 PolarHBondContact O-ND2 3.19Å; P197-N200 HydrophobicContact CG-CB 3.82Å; P197-N200 WeakPolarHBondContact O-CB 3.41Å; P197-N200 PolarHBondContact O-N 3.35Å; N200-K202 PolarHBondContact O-N 3.43Å; N200-K202 VanDerWaalsContact O-N 3.16Å; N200-S203 WeakPolarHBondContact O-CA 3.45Å; N200-S203 PolarHBondContact O-N 3.48Å; N200-S203 PolarHBondContact O-OG 2.89Å; N200-L204 WeakPolarHBondContact O-CG 3.47Å; N200-L204 PolarHBondContact O-N 2.77Å |
| 201 | V | 96.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.8 | -33.2 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | F85 R158 I161 L162 M165 L195 P197 | F85-V201 HydrophobicContact CD2-CG1 4.45Å; F85-V201 HydrophobicContact CE2-CG1 4.31Å; R158-V201 HydrophobicContact CG-CG1 4.33Å; R158-V201 PolarHBondContact NH1-O 2.87Å; I161-V201 HydrophobicContact CB-CG1 4.39Å; I161-V201 HydrophobicContact CG2-CG1 3.85Å; L162-V201 HydrophobicContact CD2-CB 4.49Å; L162-V201 HydrophobicContact CD2-CG1 4.17Å; L162-V201 HydrophobicContact CG-CG1 4.35Å; M165-V201 HydrophobicContact SD-CG2 4.08Å; L195-V201 WeakPolarHBondContact O-CG2 3.3Å; P197-V201 PolarHBondContact O-N 3.44Å |
| 202 | K | 96.1 | Very high | 95.2 | Very high | 134 Ų | 134 | 53.7 Ų | 53.7 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -71.8 | -29 | 174.2 | -75 | 167.7 | -173.4 | 175.2 | 0 | 113.8 | L162 A198 E199 N200 | L162-K202 HydrophobicContact CD1-CG 4.24Å; L162-K202 HydrophobicContact CD2-CG 4.49Å; A198-K202 WeakPolarHBondContact O-CB 3.41Å; A198-K202 WeakPolarHBondContact O-CD 3.48Å; A198-K202 WeakPolarHBondContact O-CG 3.26Å; A198-K202 PolarHBondContact O-N 2.97Å; E199-K202 PolarHBondContact O-N 3.45Å; N200-K202 PolarHBondContact O-N 3.43Å; N200-K202 VanDerWaalsContact O-N 3.16Å |
| 203 | S | 95.8 | Very high | 95 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -94.4 | -23.8 | -174 | 74.2 | 0 | 0 | 0 | 0 | 114.9 | E199 N200 K205 | E199-S203 PolarHBondContact O-N 3.44Å; E199-S203 VanDerWaalsContact O-N 3.15Å; E199-S203 PolarHBondContact O-OG 2.76Å; N200-S203 WeakPolarHBondContact O-CA 3.45Å; N200-S203 PolarHBondContact O-N 3.48Å; N200-S203 PolarHBondContact O-OG 2.89Å; S203-K205 WeakPolarHBondContact O-CG 3.4Å |
| 204 | L | 96.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | trans | -58.6 | 133.8 | -176.3 | -80.6 | 172.5 | 0 | 0 | 0 | 112.4 | N79 V82 F85 R158 N200 D208 | N79-L204 HydrophobicContact CB-CD2 4.23Å; V82-L204 HydrophobicContact CB-CD1 4.36Å; V82-L204 HydrophobicContact CB-CD2 4.19Å; V82-L204 HydrophobicContact CG2-CD2 4.43Å; F85-L204 HydrophobicContact CD2-CB 4.46Å; F85-L204 HydrophobicContact CD2-CD1 4.16Å; R158-L204 VanDerWaalsContact CZ-O 3.3Å; R158-L204 PolarHBondContact NH1-O 2.78Å; R158-L204 PolarHBondContact NH2-O 3.25Å; N200-L204 WeakPolarHBondContact O-CG 3.47Å; N200-L204 PolarHBondContact O-N 2.77Å; L204-D208 HydrophobicContact CD2-CB 4.03Å | ||
| 205 | K | 94.2 | Very high | 94.4 | Very high | 135 Ų | 135 | 56.5 Ų | 56.5 | 59% | 0.587 | 29% | 0.293 | S | S | * | . | trans | -116.6 | 165 | -178.3 | -59.7 | -179.6 | -174.3 | 173.2 | 0 | 112 | S203 S207 D208 M209 | S203-K205 WeakPolarHBondContact O-CG 3.4Å; K205-S207 PolarHBondContact O-N 3.3Å; K205-S207 VanDerWaalsContact O-N 3.15Å; K205-D208 PolarHBondContact N-OD2 2.87Å; K205-D208 WeakPolarHBondContact O-CB 3.22Å; K205-D208 PolarHBondContact O-N 3.14Å; K205-M209 PolarHBondContact O-N 3.39Å | ||
| 206 | A | 93.4 | Very high | 94.2 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.6 | -34.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F149 V154 D208 K210 | F149-A206 HydrophobicContact CB-CB 3.78Å; F149-A206 WeakPolarHBondContact O-CB 3.44Å; V154-A206 HydrophobicContact CG2-CB 4.34Å; A206-D208 VanDerWaalsContact C-N 3.31Å; A206-D208 PolarHBondContact O-N 2.96Å; A206-K210 WeakPolarHBondContact O-CG 3.06Å; A206-K210 PolarHBondContact O-N 3.29Å; A206-K210 VanDerWaalsContact O-N 3.15Å |
| 207 | S | 94.6 | Very high | 94.1 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 176 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | K205 K210 N211 | K205-S207 PolarHBondContact O-N 3.3Å; K205-S207 VanDerWaalsContact O-N 3.15Å; S207-K210 PolarHBondContact O-N 3.41Å; S207-N211 WeakPolarHBondContact O-CB 3.23Å; S207-N211 PolarHBondContact O-N 2.87Å; S207-N211 PolarHBondContact O-ND2 3.08Å |
| 208 | D | 94.5 | Very high | 94 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.5 | -41.2 | -175.7 | -53 | -40 | 0 | 0 | 0 | 110.3 | L204 K205 A206 N211 F212 | L204-D208 HydrophobicContact CD2-CB 4.03Å; K205-D208 PolarHBondContact N-OD2 2.87Å; K205-D208 WeakPolarHBondContact O-CB 3.22Å; K205-D208 PolarHBondContact O-N 3.14Å; A206-D208 VanDerWaalsContact C-N 3.31Å; A206-D208 PolarHBondContact O-N 2.96Å; D208-N211 PolarHBondContact O-N 3.01Å; D208-F212 WeakPolarHBondContact O-CB 3.47Å; D208-F212 PolarHBondContact O-N 3.43Å |
| 209 | M | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 172.1 | -70.8 | 176.1 | -80.3 | 0 | 0 | 111.9 | V82 F85 M89 F149 V154 K205 N211 F212 I213 | V82-M209 HydrophobicContact CG2-CB 4.47Å; V82-M209 HydrophobicContact CG2-CG 3.81Å; F85-M209 HydrophobicContact CB-SD 4.42Å; F85-M209 HydrophobicContact CD1-CE 4.15Å; F85-M209 HydrophobicContact CD1-SD 3.65Å; F85-M209 HydrophobicContact CE1-CE 4.28Å; F85-M209 HydrophobicContact CE1-SD 4.32Å; F85-M209 HydrophobicContact CG-SD 4.25Å; M89-M209 HydrophobicContact CB-SD 4.32Å; M89-M209 HydrophobicContact CG-CE 4.37Å; M89-M209 HydrophobicContact CG-SD 3.73Å; F149-M209 HydrophobicContact CD1-CB 3.98Å; F149-M209 HydrophobicContact CD1-CE 4.08Å; F149-M209 HydrophobicContact CD1-SD 3.87Å; F149-M209 HydrophobicContact CE1-CB 3.91Å; F149-M209 HydrophobicContact CE1-SD 4.03Å; V154-M209 HydrophobicContact CB-CE 4.45Å; V154-M209 HydrophobicContact CG1-CE 3.95Å; V154-M209 HydrophobicContact CG2-CE 3.59Å; K205-M209 PolarHBondContact O-N 3.39Å; M209-N211 VanDerWaalsContact C-N 3.32Å; M209-N211 PolarHBondContact O-N 2.91Å; M209-F212 WeakPolarHBondContact O-CB 3.32Å; M209-F212 PolarHBondContact O-N 2.89Å; M209-I213 WeakPolarHBondContact O-CG1 3.46Å; M209-I213 PolarHBondContact O-N 2.88Å |
| 210 | K | 92.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 46.9 Ų | 46.9 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 176.8 | -73.4 | -179.2 | -179.6 | -173.3 | 0 | 112.1 | F149 A206 S207 K214 | F149-K210 HydrophobicContact CD2-CD 4.39Å; F149-K210 HydrophobicContact CD2-CG 3.69Å; F149-K210 HydrophobicContact CE2-CG 4.18Å; F149-K210 HydrophobicContact CG-CG 4.33Å; A206-K210 WeakPolarHBondContact O-CG 3.06Å; A206-K210 PolarHBondContact O-N 3.29Å; A206-K210 VanDerWaalsContact O-N 3.15Å; S207-K210 PolarHBondContact O-N 3.41Å; K210-K214 WeakPolarHBondContact O-CB 3.46Å; K210-K214 PolarHBondContact O-N 2.72Å |
| 211 | N | 92.2 | Very high | 93.6 | Very high | 99 Ų | 99 | 46.7 Ų | 46.7 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 177 | -71.2 | -22 | 0 | 0 | 0 | 111.3 | S207 D208 M209 K214 H215 | S207-N211 WeakPolarHBondContact O-CB 3.23Å; S207-N211 PolarHBondContact O-N 2.87Å; S207-N211 PolarHBondContact O-ND2 3.08Å; D208-N211 PolarHBondContact O-N 3.01Å; M209-N211 VanDerWaalsContact C-N 3.32Å; M209-N211 PolarHBondContact O-N 2.91Å; N211-K214 PolarHBondContact O-N 2.91Å; N211-H215 WeakPolarHBondContact O-CB 3.33Å; N211-H215 PolarHBondContact O-N 2.7Å |
| 212 | F | 93.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.4 | -170.3 | -99.8 | 0 | 0 | 0 | 112.1 | V70 E75 V82 A83 L86 D208 M209 H215 N216 Y217 | V70-F212 HydrophobicContact CG2-CE1 3.63Å; V70-F212 HydrophobicContact CG2-CE2 4.46Å; V70-F212 HydrophobicContact CG2-CZ 3.45Å; V70-F212 VanDerWaalsContact CG2-CZ 3.45Å; E75-F212 HydrophobicContact CG-CE2 3.9Å; E75-F212 HydrophobicContact CG-CZ 4.21Å; V82-F212 HydrophobicContact CG1-CB 4.24Å; V82-F212 HydrophobicContact CG1-CD1 4.2Å; V82-F212 HydrophobicContact CG1-CD2 3.44Å; V82-F212 VanDerWaalsContact CG1-CD2 3.44Å; V82-F212 HydrophobicContact CG1-CE1 4.41Å; V82-F212 HydrophobicContact CG1-CE2 3.69Å; V82-F212 HydrophobicContact CG1-CG 3.71Å; V82-F212 HydrophobicContact CG1-CZ 4.16Å; V82-F212 HydrophobicContact CG2-CB 4.06Å; V82-F212 HydrophobicContact CG2-CG 4.3Å; A83-F212 HydrophobicContact CB-CE1 4.07Å; A83-F212 HydrophobicContact CB-CZ 4.09Å; L86-F212 HydrophobicContact CD2-CD1 4.06Å; D208-F212 WeakPolarHBondContact O-CB 3.47Å; D208-F212 PolarHBondContact O-N 3.43Å; M209-F212 WeakPolarHBondContact O-CB 3.32Å; M209-F212 PolarHBondContact O-N 2.89Å; F212-H215 PolarHBondContact O-N 3.11Å; F212-N216 WeakPolarHBondContact CD2-ND2 3.08Å; F212-N216 WeakPolarHBondContact CE2-ND2 3.27Å; F212-N216 WeakPolarHBondContact O-CB 3.2Å; F212-N216 PolarHBondContact O-N 3.25Å; F212-N216 PolarHBondContact O-ND2 3.38Å; F212-Y217 HydrophobicContact CD1-CE2 4.34Å; F212-Y217 HydrophobicContact CE1-CE2 4.27Å |
| 213 | I | 92.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 17% | 0.169 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.4 | -53 | 173.9 | -65.3 | 166.2 | 0 | 0 | 0 | 110.2 | L86 F149 M209 H215 N216 Y217 | L86-I213 HydrophobicContact CD1-CD1 3.48Å; L86-I213 VanDerWaalsContact CD1-CD1 3.48Å; L86-I213 HydrophobicContact CD1-CG1 3.85Å; L86-I213 HydrophobicContact CD2-CD1 4.2Å; L86-I213 HydrophobicContact CD2-CG1 3.59Å; L86-I213 HydrophobicContact CG-CG1 4.4Å; F149-I213 HydrophobicContact CE1-CD1 4.38Å; F149-I213 HydrophobicContact CE2-CD1 3.66Å; F149-I213 HydrophobicContact CZ-CD1 3.34Å; M209-I213 WeakPolarHBondContact O-CG1 3.46Å; M209-I213 PolarHBondContact O-N 2.88Å; I213-H215 PolarHBondContact O-N 3.37Å; I213-H215 VanDerWaalsContact O-N 3.13Å; I213-N216 PolarHBondContact O-N 3.46Å; I213-Y217 HydrophobicContact CB-CD2 4.47Å; I213-Y217 HydrophobicContact CG1-CD2 4.48Å; I213-Y217 HydrophobicContact CG2-CG 4.17Å; I213-Y217 WeakPolarHBondContact O-CB 3.22Å; I213-Y217 PolarHBondContact O-N 2.92Å |
| 214 | K | 90.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 37 Ų | 37 | 41% | 0.409 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -53.9 | -39.2 | -178.4 | -174.8 | -169 | 173.4 | -150.8 | 0 | 111.5 | K210 N211 K218 E254 | K210-K214 WeakPolarHBondContact O-CB 3.46Å; K210-K214 PolarHBondContact O-N 2.72Å; N211-K214 PolarHBondContact O-N 2.91Å; K214-K218 WeakPolarHBondContact O-CE 3.32Å; K214-K218 PolarHBondContact O-NZ 3.46Å; K214-E254 IonicContact NZ-OE1 3.12Å; K214-E254 PolarHBondContact NZ-OE1 3.41Å; K214-E254 VanDerWaalsContact NZ-OE1 3.12Å |
| 215 | H | 90.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 36.9 Ų | 36.9 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -80.4 | -44.4 | -178.2 | -168.4 | 68 | 0 | 0 | 0 | 112.7 | N211 F212 I213 K218 Y250 E254 | N211-H215 WeakPolarHBondContact O-CB 3.33Å; N211-H215 PolarHBondContact O-N 2.7Å; F212-H215 PolarHBondContact O-N 3.11Å; I213-H215 PolarHBondContact O-N 3.37Å; I213-H215 VanDerWaalsContact O-N 3.13Å; H215-K218 WeakPolarHBondContact O-CE 3.42Å; H215-Y250 WeakPolarHBondContact O-CE1 3.47Å; H215-E254 PolarHBondContact CE1-O 3.5Å |
| 216 | N | 92.2 | Very high | 94 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -98.3 | -31.4 | -167.9 | -66.5 | -59.8 | 0 | 0 | 0 | 115.2 | V70 F212 I213 K218 | V70-N216 HydrophobicContact CB-CB 4.33Å; V70-N216 HydrophobicContact CG2-CB 3.59Å; F212-N216 WeakPolarHBondContact CD2-ND2 3.08Å; F212-N216 WeakPolarHBondContact CE2-ND2 3.27Å; F212-N216 WeakPolarHBondContact O-CB 3.2Å; F212-N216 PolarHBondContact O-N 3.25Å; F212-N216 PolarHBondContact O-ND2 3.38Å; I213-N216 PolarHBondContact O-N 3.46Å; N216-K218 VanDerWaalsContact C-N 3.33Å; N216-K218 PolarHBondContact O-N 2.91Å |
| 217 | Y | 93.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 4% | 0.039 | 15% | 0.149 | C | C | . | . | trans | -86.6 | 75.2 | -172.5 | -74.4 | -125.7 | 0 | 0 | 0 | 109.9 | V68 V70 L86 Y124 L144 F212 I213 | V68-Y217 HydrophobicContact CG1-CD1 4.39Å; V68-Y217 HydrophobicContact CG1-CD2 4.49Å; V68-Y217 HydrophobicContact CG1-CE1 4.45Å; V68-Y217 HydrophobicContact CG1-CG 4.4Å; V68-Y217 HydrophobicContact CG2-CD1 4.35Å; V68-Y217 HydrophobicContact CG2-CE1 4.11Å; V70-Y217 HydrophobicContact CG1-CE2 3.78Å; L86-Y217 HydrophobicContact CD2-CE1 4.47Å; L86-Y217 HydrophobicContact CD2-CE2 3.72Å; L86-Y217 VanDerWaalsContact CD2-OH 3.23Å; L86-Y217 WeakPolarHBondContact CD2-OH 3.36Å; Y124-Y217 HydrophobicContact CE2-CE1 4.09Å; Y124-Y217 PolarHBondContact OH-OH 3.05Å; Y124-Y217 VanDerWaalsContact OH-OH 3.09Å; L144-Y217 HydrophobicContact CD2-CD1 4.01Å; L144-Y217 HydrophobicContact CD2-CE1 3.69Å; F212-Y217 HydrophobicContact CD1-CE2 4.34Å; F212-Y217 HydrophobicContact CE1-CE2 4.27Å; I213-Y217 HydrophobicContact CB-CD2 4.47Å; I213-Y217 HydrophobicContact CG1-CD2 4.48Å; I213-Y217 HydrophobicContact CG2-CG 4.17Å; I213-Y217 WeakPolarHBondContact O-CB 3.22Å; I213-Y217 PolarHBondContact O-N 2.92Å | ||
| 218 | K | 93 | Very high | 94.3 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | trans | -108.3 | 145 | 178.8 | -56.7 | -62.2 | -179.4 | 174.2 | 0 | 111 | K214 H215 N216 R221 M222 Q247 Y250 | K214-K218 WeakPolarHBondContact O-CE 3.32Å; K214-K218 PolarHBondContact O-NZ 3.46Å; H215-K218 WeakPolarHBondContact O-CE 3.42Å; N216-K218 VanDerWaalsContact C-N 3.33Å; N216-K218 PolarHBondContact O-N 2.91Å; K218-R221 WeakPolarHBondContact O-CB 3.31Å; K218-R221 PolarHBondContact O-N 3.12Å; K218-M222 WeakPolarHBondContact O-CG 3.49Å; K218-Q247 WeakPolarHBondContact CA-O 3.14Å; K218-Q247 HydrophobicContact CD-CB 4.29Å; K218-Q247 HydrophobicContact CD-CG 4.37Å; K218-Q247 WeakPolarHBondContact CD-O 3.32Å; K218-Y250 HydrophobicContact CG-CE1 4.04Å; K218-Y250 HydrophobicContact CG-CE2 3.99Å; K218-Y250 WeakPolarHBondContact CG-OH 3.25Å | ||
| 219 | A | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -49.6 | -46.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N48 F50 R221 M222 F246 Q247 | N48-A219 HydrophobicContact CB-CB 3.89Å; N48-A219 WeakPolarHBondContact O-CB 3.32Å; F50-A219 HydrophobicContact CB-CB 4.04Å; F50-A219 HydrophobicContact CD2-CB 4.29Å; A219-R221 PolarHBondContact O-N 3.18Å; A219-R221 VanDerWaalsContact O-N 3.15Å; A219-M222 PolarHBondContact O-N 3.12Å; A219-M222 VanDerWaalsContact O-N 3.11Å; A219-F246 HydrophobicContact CB-CB 3.91Å; A219-Q247 PolarHBondContact N-O 2.93Å; A219-Q247 VanDerWaalsContact N-O 3.1Å |
| 220 | P | 92 | Very high | 94.3 | Very high | 58 Ų | 58 | 25 Ų | 25 | 38% | 0.377 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -62.6 | -23.3 | 179.2 | -26.2 | 35.7 | 0 | 0 | 0 | 115 | R51 M222 | R51-P220 PolarHBondContact NH2-O 3.24Å; P220-M222 VanDerWaalsContact C-N 3.32Å |
| 221 | R | 93.5 | Very high | 94.5 | Very high | 22 Ų | 22 | 23.4 Ų | 23.4 | 8% | 0.083 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -91.3 | 2.8 | -179 | -56.4 | -166.7 | 73 | -169.4 | 8.8 | 113 | D69 Y74 K218 A219 Y250 | D69-R221 HydrophobicContact CB-CB 4.34Å; D69-R221 PolarHBondContact N-O 3.4Å; D69-R221 PolarHBondContact O-NE 3.46Å; D69-R221 PolarHBondContact O-NH2 2.98Å; D69-R221 IonicContact OD1-NH2 3.74Å; D69-R221 IonicContact OD2-CZ 3.73Å; D69-R221 IonicContact OD2-NE 3.54Å; D69-R221 PolarHBondContact OD2-NE 3.27Å; D69-R221 IonicContact OD2-NH2 3.28Å; D69-R221 PolarHBondContact OD2-NH2 2.83Å; Y74-R221 PolarHBondContact OH-NH2 2.85Å; K218-R221 WeakPolarHBondContact O-CB 3.31Å; K218-R221 PolarHBondContact O-N 3.12Å; A219-R221 PolarHBondContact O-N 3.18Å; A219-R221 VanDerWaalsContact O-N 3.15Å; R221-Y250 WeakPolarHBondContact CD-OH 3.41Å |
| 222 | M | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.9 | -176.2 | -62.2 | 170.9 | 72.4 | 0 | 0 | 110.2 | F50 V66 W67 V68 L144 K218 A219 P220 F246 | F50-M222 HydrophobicContact CD2-CB 3.84Å; F50-M222 HydrophobicContact CE2-CB 3.47Å; F50-M222 VanDerWaalsContact CE2-CB 3.47Å; F50-M222 HydrophobicContact CE2-CE 4.2Å; F50-M222 HydrophobicContact CE2-SD 4.42Å; F50-M222 HydrophobicContact CZ-CB 4.43Å; V66-M222 HydrophobicContact CG1-CB 4.35Å; V66-M222 HydrophobicContact CG1-CE 3.54Å; W67-M222 CarbonylContact O-C 3.53Å; W67-M222 WeakPolarHBondContact O-CA 3.29Å; V68-M222 HydrophobicContact CB-CG 4.49Å; V68-M222 HydrophobicContact CG1-CG 4.06Å; V68-M222 HydrophobicContact CG2-CE 4.25Å; V68-M222 HydrophobicContact CG2-CG 4.14Å; L144-M222 HydrophobicContact CD1-CE 3.8Å; K218-M222 WeakPolarHBondContact O-CG 3.49Å; A219-M222 PolarHBondContact O-N 3.12Å; A219-M222 VanDerWaalsContact O-N 3.11Å; P220-M222 VanDerWaalsContact C-N 3.32Å; M222-F246 HydrophobicContact CE-CE1 3.94Å; M222-F246 HydrophobicContact CE-CZ 3.97Å; M222-F246 HydrophobicContact SD-CD1 3.91Å; M222-F246 HydrophobicContact SD-CE1 3.75Å; M222-F246 HydrophobicContact SD-CZ 4.37Å |
| 223 | V | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.8 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | R51 V66 W67 S225 M411 L412 | R51-V223 HydrophobicContact CB-CG2 4.08Å; R51-V223 CarbonylContact O-C 3.38Å; R51-V223 WeakPolarHBondContact O-CA 3.49Å; V66-V223 WeakPolarHBondContact CA-O 3.35Å; W67-V223 HydrophobicContact CB-CB 4.47Å; W67-V223 PolarHBondContact N-O 2.66Å; W67-V223 PolarHBondContact O-N 3.14Å; V223-S225 PolarHBondContact O-N 2.83Å; V223-M411 HydrophobicContact CB-CB 4.34Å; V223-M411 HydrophobicContact CG1-CB 3.76Å; V223-M411 HydrophobicContact CG1-CG 4.12Å; V223-M411 HydrophobicContact CG2-CB 3.85Å; V223-L412 HydrophobicContact CB-CD2 4.41Å; V223-L412 HydrophobicContact CG2-CD2 3.67Å; V223-L412 HydrophobicContact CG2-CG 4.43Å |
| 224 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 110.7 | 164.1 | -176.6 | 71.9 | 0 | 0 | 0 | 108.3 | F50 R51 I52 A53 V64 G65 V66 L235 A239 F243 | F50-L224 HydrophobicContact CE1-CB 3.48Å; F50-L224 VanDerWaalsContact CE1-CB 3.48Å; F50-L224 HydrophobicContact CZ-CB 3.8Å; R51-L224 PolarHBondContact O-N 2.71Å; I52-L224 CarbonylContact C-O 3.52Å; I52-L224 WeakPolarHBondContact CA-O 3.47Å; I52-L224 HydrophobicContact CG1-CB 4.4Å; I52-L224 HydrophobicContact CG1-CD2 4.48Å; A53-L224 PolarHBondContact N-O 3.14Å; V64-L224 HydrophobicContact CG2-CD1 3.66Å; V64-L224 HydrophobicContact CG2-CG 4.31Å; G65-L224 CarbonylContact O-C 3.49Å; G65-L224 WeakPolarHBondContact O-CA 3.38Å; V66-L224 HydrophobicContact CG2-CD1 3.85Å; L224-L235 HydrophobicContact CD2-CD1 3.8Å; L224-L235 HydrophobicContact CD2-CG 4.12Å; L224-L235 HydrophobicContact CG-CD1 4.48Å; L224-A239 HydrophobicContact CD2-CB 3.83Å; L224-F243 HydrophobicContact CD1-CE2 4.38Å |
| 225 | S | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 141.6 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | A53 V64 G65 W67 V223 C404 I407 G408 | A53-S225 CarbonylContact O-C 3.34Å; A53-S225 VanDerWaalsContact O-CA 3.31Å; A53-S225 WeakPolarHBondContact O-CA 3.45Å; V64-S225 WeakPolarHBondContact CA-O 3.49Å; G65-S225 PolarHBondContact N-O 3Å; G65-S225 PolarHBondContact O-N 3.32Å; W67-S225 VanDerWaalsContact CZ3-CB 3.47Å; V223-S225 PolarHBondContact O-N 2.83Å; S225-C404 VanDerWaalsContact C-SG 3.51Å; S225-C404 PolarHBondContact O-SG 3.34Å; S225-C404 PolarHBondContact OG-O 2.97Å; S225-I407 VanDerWaalsContact OG-CB 3.25Å; S225-I407 WeakPolarHBondContact OG-CB 3.38Å; S225-I407 VanDerWaalsContact OG-CG2 3.23Å; S225-I407 WeakPolarHBondContact OG-CG2 3.05Å; S225-G408 PolarHBondContact OG-N 2.69Å |
| 226 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 140.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A53 S54 E55 T63 V64 I230 L235 | A53-A226 PolarHBondContact O-N 2.7Å; S54-A226 CarbonylContact C-O 3.53Å; S54-A226 WeakPolarHBondContact CA-O 3.23Å; S54-A226 WeakPolarHBondContact CB-O 3.22Å; E55-A226 PolarHBondContact N-O 3.44Å; T63-A226 CarbonylContact O-C 3.5Å; T63-A226 VanDerWaalsContact O-CA 3.25Å; T63-A226 WeakPolarHBondContact O-CA 3.47Å; V64-A226 HydrophobicContact CB-CB 4.14Å; V64-A226 HydrophobicContact CG2-CB 4.05Å; A226-I230 HydrophobicContact CB-CD1 3.23Å; A226-L235 HydrophobicContact CB-CD1 4.39Å; A226-L235 HydrophobicContact CB-CD2 3.64Å |
| 227 | A | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E55 C62 T63 I403 C404 I407 | E55-A227 WeakPolarHBondContact O-CA 3.39Å; C62-A227 CarbonylContact C-O 3.52Å; C62-A227 VanDerWaalsContact CA-O 3.32Å; C62-A227 WeakPolarHBondContact CA-O 3.32Å; T63-A227 PolarHBondContact N-O 3.13Å; T63-A227 PolarHBondContact O-N 3.02Å; A227-I403 HydrophobicContact CB-CB 4Å; A227-I403 HydrophobicContact CB-CG2 3.62Å; A227-C404 HydrophobicContact CB-CB 4Å; A227-I407 HydrophobicContact CB-CD1 4.44Å |
| 228 | G | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.9 | -150.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | E55 N56 W57 T59 T61 I230 | E55-G228 PolarHBondContact O-N 2.64Å; N56-G228 CarbonylContact C-O 3.55Å; N56-G228 VanDerWaalsContact CA-O 3.28Å; N56-G228 WeakPolarHBondContact CA-O 3.36Å; N56-G228 PolarHBondContact OD1-O 2.84Å; W57-G228 PolarHBondContact N-O 3.43Å; T59-G228 WeakPolarHBondContact OG1-CA 3.43Å; T61-G228 WeakPolarHBondContact O-CA 3.47Å; G228-I230 PolarHBondContact O-N 3.49Å |
| 229 | G | 94.1 | Very high | 96.4 | Very high | 15 Ų | 15 | 26 Ų | 26 | 16% | 0.155 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -75.5 | 55.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T59 T61 V130 | T59-G229 WeakPolarHBondContact O-CA 3.31Å; T59-G229 PolarHBondContact O-N 2.9Å; T59-G229 PolarHBondContact OG1-N 3.28Å; T59-G229 VanDerWaalsContact OG1-N 3.15Å; T61-G229 PolarHBondContact O-N 3.28Å; V130-G229 WeakPolarHBondContact CG1-O 3.19Å; V130-G229 WeakPolarHBondContact CG2-O 3.19Å |
| 230 | I | 94.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -106.1 | 130.6 | -168.6 | -55 | 178.8 | 0 | 0 | 0 | 110.9 | N56 C62 L133 A226 G228 L235 | N56-I230 VanDerWaalsContact CB-O 3.24Å; N56-I230 WeakPolarHBondContact CB-O 3.18Å; N56-I230 VanDerWaalsContact CG-O 3.22Å; N56-I230 PolarHBondContact ND2-O 3.44Å; N56-I230 PolarHBondContact OD1-N 2.95Å; C62-I230 HydrophobicContact CB-CD1 3.79Å; C62-I230 HydrophobicContact CB-CG1 3.71Å; L133-I230 HydrophobicContact CD2-CG1 4.45Å; L133-I230 HydrophobicContact CD2-CG2 3.81Å; A226-I230 HydrophobicContact CB-CD1 3.23Å; G228-I230 PolarHBondContact O-N 3.49Å; I230-L235 HydrophobicContact CG2-CB 4.16Å; I230-L235 HydrophobicContact CG2-CD2 4.37Å | ||
| 231 | D | 96.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 34.4 Ų | 34.4 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | trans | -83.5 | 122.5 | 163.5 | 177.8 | 52.4 | 0 | 0 | 0 | 110.9 | K233 H234 L235 | D231-K233 VanDerWaalsContact C-N 3.31Å; D231-K233 PolarHBondContact O-N 2.86Å; D231-K233 WeakPolarHBondContact OD2-CB 3.27Å; D231-K233 PolarHBondContact OD2-N 3.24Å; D231-H234 HydrophobicContact CB-CB 4.04Å; D231-H234 PolarHBondContact O-N 3.44Å; D231-H234 PolarHBondContact OD2-N 3.44Å; D231-L235 PolarHBondContact O-N 3.04Å | ||
| 232 | H | 97.7 | Very high | 96.9 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.9 | -36.6 | -176.3 | -175.2 | 72.8 | 0 | 0 | 0 | 112.4 | K41 T43 S54 L235 C236 | K41-H232 HydrophobicContact CB-CB 4.05Å; K41-H232 HydrophobicContact CD-CB 3.67Å; K41-H232 HydrophobicContact CG-CB 4.5Å; K41-H232 PolarHBondContact O-CE1 2.82Å; K41-H232 VanDerWaalsContact O-CE1 3.22Å; T43-H232 PolarHBondContact OG1-NE2 3.29Å; S54-H232 WeakPolarHBondContact OG-CB 3.37Å; S54-H232 PolarHBondContact OG-ND1 2.97Å; H232-L235 PolarHBondContact O-N 2.92Å; H232-C236 PolarHBondContact NE2-SG 2.86Å; H232-C236 PolarHBondContact O-N 3.35Å; H232-C236 PolarHBondContact O-SG 2.88Å |
| 233 | K | 97.3 | Very high | 96.9 | Very high | 147 Ų | 147 | 34.3 Ų | 34.3 | 64% | 0.639 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -67.2 | -46.2 | -179.8 | -174.8 | 179.8 | 176.8 | -178.2 | 0 | 110.1 | D231 L235 C236 D237 | D231-K233 VanDerWaalsContact C-N 3.31Å; D231-K233 PolarHBondContact O-N 2.86Å; D231-K233 WeakPolarHBondContact OD2-CB 3.27Å; D231-K233 PolarHBondContact OD2-N 3.24Å; K233-L235 VanDerWaalsContact C-N 3.3Å; K233-L235 PolarHBondContact O-N 2.98Å; K233-C236 WeakPolarHBondContact O-CB 3.29Å; K233-C236 PolarHBondContact O-N 2.96Å; K233-C236 VanDerWaalsContact O-N 3.1Å; K233-D237 PolarHBondContact O-N 3.47Å |
| 234 | H | 97.1 | Very high | 96.6 | Very high | 78 Ų | 78 | 35.1 Ų | 35.1 | 36% | 0.361 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -57.4 | -42.3 | 173.4 | -172.8 | 52.2 | 0 | 0 | 0 | 112.6 | D231 C236 D237 L238 | D231-H234 HydrophobicContact CB-CB 4.04Å; D231-H234 PolarHBondContact O-N 3.44Å; D231-H234 PolarHBondContact OD2-N 3.44Å; H234-C236 VanDerWaalsContact C-N 3.34Å; H234-C236 PolarHBondContact O-N 3.35Å; H234-D237 PolarHBondContact O-N 3.39Å; H234-L238 WeakPolarHBondContact O-CG 3.23Å; H234-L238 PolarHBondContact O-N 2.72Å |
| 235 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 174.9 | -175.4 | 67.6 | 0 | 0 | 0 | 112.2 | I52 V64 L133 V137 L224 A226 I230 D231 H232 K233 L238 A239 | I52-L235 HydrophobicContact CG2-CD2 3.6Å; I52-L235 HydrophobicContact CG2-CG 3.86Å; V64-L235 HydrophobicContact CG2-CD1 4.47Å; L133-L235 HydrophobicContact CD1-CD1 4.37Å; V137-L235 HydrophobicContact CG2-CD1 4.02Å; L224-L235 HydrophobicContact CD2-CD1 3.8Å; L224-L235 HydrophobicContact CD2-CG 4.12Å; L224-L235 HydrophobicContact CG-CD1 4.48Å; A226-L235 HydrophobicContact CB-CD1 4.39Å; A226-L235 HydrophobicContact CB-CD2 3.64Å; I230-L235 HydrophobicContact CG2-CB 4.16Å; I230-L235 HydrophobicContact CG2-CD2 4.37Å; D231-L235 PolarHBondContact O-N 3.04Å; H232-L235 PolarHBondContact O-N 2.92Å; K233-L235 VanDerWaalsContact C-N 3.3Å; K233-L235 PolarHBondContact O-N 2.98Å; L235-L238 PolarHBondContact O-N 2.89Å; L235-A239 VanDerWaalsContact O-CB 3.28Å; L235-A239 WeakPolarHBondContact O-CB 3.49Å; L235-A239 PolarHBondContact O-N 3.5Å |
| 236 | C | 97.6 | Very high | 96 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 10% | 0.101 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.2 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | H232 K233 H234 L238 A239 E240 | H232-C236 PolarHBondContact NE2-SG 2.86Å; H232-C236 PolarHBondContact O-N 3.35Å; H232-C236 PolarHBondContact O-SG 2.88Å; K233-C236 WeakPolarHBondContact O-CB 3.29Å; K233-C236 PolarHBondContact O-N 2.96Å; K233-C236 VanDerWaalsContact O-N 3.1Å; H234-C236 VanDerWaalsContact C-N 3.34Å; H234-C236 PolarHBondContact O-N 3.35Å; C236-L238 VanDerWaalsContact C-N 3.34Å; C236-L238 PolarHBondContact O-N 2.75Å; C236-A239 PolarHBondContact O-N 2.9Å; C236-E240 PolarHBondContact O-N 2.92Å |
| 237 | D | 97.3 | Very high | 95.5 | Very high | 95 Ų | 95 | 44.6 Ų | 44.6 | 51% | 0.508 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.1 | -64.5 | -25.1 | 0 | 0 | 0 | 111.2 | K233 H234 K241 | K233-D237 PolarHBondContact O-N 3.47Å; H234-D237 PolarHBondContact O-N 3.39Å; D237-K241 WeakPolarHBondContact O-CB 3.09Å; D237-K241 PolarHBondContact O-N 2.67Å; D237-K241 VanDerWaalsContact O-N 3.11Å |
| 238 | L | 97.3 | Very high | 95 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 173.4 | -67.7 | 170.6 | 0 | 0 | 0 | 111.5 | L133 P134 V137 H234 L235 C236 K241 H242 | L133-L238 HydrophobicContact CD2-CD1 4.44Å; L133-L238 HydrophobicContact CG-CD1 4.24Å; P134-L238 HydrophobicContact CB-CD1 4.29Å; P134-L238 HydrophobicContact CB-CD2 3.92Å; P134-L238 HydrophobicContact CG-CD1 4.25Å; P134-L238 HydrophobicContact CG-CD2 4.46Å; V137-L238 HydrophobicContact CB-CB 4.41Å; V137-L238 HydrophobicContact CG1-CB 3.96Å; V137-L238 HydrophobicContact CG2-CD1 4.26Å; H234-L238 WeakPolarHBondContact O-CG 3.23Å; H234-L238 PolarHBondContact O-N 2.72Å; L235-L238 PolarHBondContact O-N 2.89Å; C236-L238 VanDerWaalsContact C-N 3.34Å; C236-L238 PolarHBondContact O-N 2.75Å; L238-K241 PolarHBondContact O-N 2.89Å; L238-H242 WeakPolarHBondContact O-CB 3.2Å; L238-H242 PolarHBondContact O-CD2 3.19Å; L238-H242 PolarHBondContact O-N 3.48Å |
| 239 | A | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | L45 I52 L224 L235 C236 K241 H242 F243 G244 | L45-A239 HydrophobicContact CD1-CB 4.48Å; I52-A239 HydrophobicContact CD1-CB 3.53Å; I52-A239 HydrophobicContact CG1-CB 3.61Å; L224-A239 HydrophobicContact CD2-CB 3.83Å; L235-A239 VanDerWaalsContact O-CB 3.28Å; L235-A239 WeakPolarHBondContact O-CB 3.49Å; L235-A239 PolarHBondContact O-N 3.5Å; C236-A239 PolarHBondContact O-N 2.9Å; A239-K241 VanDerWaalsContact C-N 3.33Å; A239-K241 PolarHBondContact O-N 3.37Å; A239-H242 PolarHBondContact O-N 3.24Å; A239-F243 VanDerWaalsContact O-CA 3.32Å; A239-F243 WeakPolarHBondContact O-CA 3.32Å; A239-F243 WeakPolarHBondContact O-CB 3.23Å; A239-F243 PolarHBondContact O-N 2.95Å; A239-G244 PolarHBondContact O-N 3.36Å |
| 240 | E | 96.3 | Very high | 93.9 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175 | -174.1 | 63.7 | -151.3 | 0 | 0 | 110.7 | L45 S47 C236 H242 G244 | L45-E240 WeakPolarHBondContact CD1-OE2 3.36Å; L45-E240 HydrophobicContact CD2-CB 4.3Å; L45-E240 VanDerWaalsContact CD2-OE2 3.27Å; L45-E240 WeakPolarHBondContact CD2-OE2 3.34Å; S47-E240 WeakPolarHBondContact CB-OE1 3.45Å; S47-E240 PolarHBondContact OG-OE1 3.17Å; S47-E240 VanDerWaalsContact OG-OE1 3.05Å; S47-E240 PolarHBondContact OG-OE2 3.05Å; C236-E240 PolarHBondContact O-N 2.92Å; E240-H242 PolarHBondContact O-N 3.41Å; E240-G244 WeakPolarHBondContact O-CA 3.37Å; E240-G244 PolarHBondContact O-N 2.83Å |
| 241 | K | 96.5 | Very high | 93.3 | Very high | 148 Ų | 148 | 57 Ų | 57 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 178.8 | -179.1 | -176.7 | 172.9 | -162.8 | 0 | 113.3 | D237 L238 A239 | D237-K241 WeakPolarHBondContact O-CB 3.09Å; D237-K241 PolarHBondContact O-N 2.67Å; D237-K241 VanDerWaalsContact O-N 3.11Å; L238-K241 PolarHBondContact O-N 2.89Å; A239-K241 VanDerWaalsContact C-N 3.33Å; A239-K241 PolarHBondContact O-N 3.37Å |
| 242 | H | 96.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -102.6 | -24 | -169.6 | -70.1 | -71 | 0 | 0 | 0 | 114.1 | V137 S141 K145 L238 A239 E240 | V137-H242 HydrophobicContact CG1-CB 4.43Å; S141-H242 PolarHBondContact OG-O 3.49Å; K145-H242 VanDerWaalsContact CE-O 3.29Å; K145-H242 WeakPolarHBondContact CE-O 3.31Å; K145-H242 PolarHBondContact NZ-O 2.93Å; L238-H242 WeakPolarHBondContact O-CB 3.2Å; L238-H242 PolarHBondContact O-CD2 3.19Å; L238-H242 PolarHBondContact O-N 3.48Å; A239-H242 PolarHBondContact O-N 3.24Å; E240-H242 PolarHBondContact O-N 3.41Å |
| 243 | F | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -120.8 | -8.7 | -178.5 | -64.9 | -86.2 | 0 | 0 | 0 | 113.8 | N48 F50 V66 V137 L140 L144 L224 A239 D245 F246 | N48-F243 PolarHBondContact ND2-O 2.9Å; F50-F243 HydrophobicContact CD1-CB 4.19Å; F50-F243 HydrophobicContact CD2-CB 4.26Å; F50-F243 HydrophobicContact CE1-CB 4.03Å; F50-F243 HydrophobicContact CE1-CD2 4.31Å; F50-F243 HydrophobicContact CE1-CG 4.05Å; F50-F243 HydrophobicContact CE2-CB 4.12Å; F50-F243 AromaticContact CE2-CD1 3.79Å; F50-F243 HydrophobicContact CE2-CD1 3.79Å; F50-F243 HydrophobicContact CE2-CE1 4.46Å; F50-F243 HydrophobicContact CE2-CG 4.05Å; F50-F243 HydrophobicContact CG-CB 4.29Å; F50-F243 HydrophobicContact CZ-CB 4.01Å; F50-F243 AromaticContact CZ-CD1 3.73Å; F50-F243 HydrophobicContact CZ-CD1 3.73Å; F50-F243 HydrophobicContact CZ-CD2 4.17Å; F50-F243 HydrophobicContact CZ-CE1 4.23Å; F50-F243 AromaticContact CZ-CG 3.71Å; F50-F243 HydrophobicContact CZ-CG 3.71Å; V66-F243 HydrophobicContact CG2-CE1 4.09Å; V66-F243 HydrophobicContact CG2-CZ 3.79Å; V137-F243 HydrophobicContact CG1-CE2 3.95Å; L140-F243 HydrophobicContact CB-CZ 4.47Å; L144-F243 HydrophobicContact CD1-CE1 4.07Å; L224-F243 HydrophobicContact CD1-CE2 4.38Å; A239-F243 VanDerWaalsContact O-CA 3.32Å; A239-F243 WeakPolarHBondContact O-CA 3.32Å; A239-F243 WeakPolarHBondContact O-CB 3.23Å; A239-F243 PolarHBondContact O-N 2.95Å; F243-D245 PolarHBondContact O-N 3.01Å; F243-D245 VanDerWaalsContact O-N 3.14Å; F243-F246 HydrophobicContact CB-CD2 4.37Å; F243-F246 AromaticContact CD1-CD2 3.79Å; F243-F246 HydrophobicContact CD1-CD2 3.79Å; F243-F246 AromaticContact CD1-CE2 3.58Å; F243-F246 HydrophobicContact CD1-CE2 3.58Å; F243-F246 HydrophobicContact CE1-CE2 4.04Å; F243-F246 WeakPolarHBondContact O-CB 3.18Å; F243-F246 PolarHBondContact O-N 3.28Å |
| 244 | G | 92.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | N48 A239 E240 | N48-G244 WeakPolarHBondContact ND2-CA 3.39Å; N48-G244 PolarHBondContact ND2-O 3.26Å; N48-G244 VanDerWaalsContact ND2-O 3.16Å; A239-G244 PolarHBondContact O-N 3.36Å; E240-G244 WeakPolarHBondContact O-CA 3.37Å; E240-G244 PolarHBondContact O-N 2.83Å |
| 245 | D | 92 | Very high | 88.6 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.6 | 177.2 | 65.4 | -21.4 | 0 | 0 | 0 | 114.3 | K145 F243 | K145-D245 IonicContact NZ-OD1 2.68Å; K145-D245 PolarHBondContact NZ-OD1 2.86Å; K145-D245 IonicContact NZ-OD2 3.7Å; K145-D245 PolarHBondContact NZ-OD2 2.86Å; F243-D245 PolarHBondContact O-N 3.01Å; F243-D245 VanDerWaalsContact O-N 3.14Å |
| 246 | F | 90.4 | Very high | 87.5 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -61.7 | 142 | 176.3 | -102.5 | -97.7 | 0 | 0 | 0 | 111.6 | N48 L144 K145 A219 M222 F243 A248 | N48-F246 PolarHBondContact ND2-O 3.29Å; L144-F246 HydrophobicContact CB-CZ 3.94Å; K145-F246 HydrophobicContact CD-CD2 3.83Å; K145-F246 HydrophobicContact CD-CE2 3.48Å; K145-F246 VanDerWaalsContact CD-CE2 3.48Å; K145-F246 HydrophobicContact CD-CZ 4.19Å; K145-F246 HydrophobicContact CG-CD2 4.02Å; K145-F246 HydrophobicContact CG-CE1 4.41Å; K145-F246 HydrophobicContact CG-CE2 3.2Å; K145-F246 HydrophobicContact CG-CZ 3.44Å; K145-F246 VanDerWaalsContact CG-CZ 3.44Å; A219-F246 HydrophobicContact CB-CB 3.91Å; M222-F246 HydrophobicContact CE-CE1 3.94Å; M222-F246 HydrophobicContact CE-CZ 3.97Å; M222-F246 HydrophobicContact SD-CD1 3.91Å; M222-F246 HydrophobicContact SD-CE1 3.75Å; M222-F246 HydrophobicContact SD-CZ 4.37Å; F243-F246 HydrophobicContact CB-CD2 4.37Å; F243-F246 AromaticContact CD1-CD2 3.79Å; F243-F246 HydrophobicContact CD1-CD2 3.79Å; F243-F246 AromaticContact CD1-CE2 3.58Å; F243-F246 HydrophobicContact CD1-CE2 3.58Å; F243-F246 HydrophobicContact CE1-CE2 4.04Å; F243-F246 WeakPolarHBondContact O-CB 3.18Å; F243-F246 PolarHBondContact O-N 3.28Å; F246-A248 PolarHBondContact O-N 3.28Å |
| 247 | Q | 88 | Confident | 86.5 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 33% | 0.327 | 37% | 0.37 | S | S | . | . | trans | -65.9 | 122 | 177.5 | -168.6 | 179.4 | 5.1 | 0 | 0 | 110.6 | K218 A219 S249 | K218-Q247 WeakPolarHBondContact CA-O 3.14Å; K218-Q247 HydrophobicContact CD-CB 4.29Å; K218-Q247 HydrophobicContact CD-CG 4.37Å; K218-Q247 WeakPolarHBondContact CD-O 3.32Å; A219-Q247 PolarHBondContact N-O 2.93Å; A219-Q247 VanDerWaalsContact N-O 3.1Å; Q247-S249 WeakPolarHBondContact CG-O 3.25Å; Q247-S249 PolarHBondContact NE2-O 2.84Å | ||
| 248 | A | 87.3 | Confident | 85.5 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 33% | 0.331 | 38% | 0.377 | S | S | . | . | trans | -89 | -37.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N48 F246 | N48-A248 HydrophobicContact CB-CB 4.02Å; N48-A248 VanDerWaalsContact O-CB 3.32Å; N48-A248 WeakPolarHBondContact O-CB 3.25Å; F246-A248 PolarHBondContact O-N 3.28Å | ||
| 249 | S | 84.8 | Confident | 84.8 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 57% | 0.566 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -98.2 | 148.4 | -171 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | Q247 | Q247-S249 WeakPolarHBondContact CG-O 3.25Å; Q247-S249 PolarHBondContact NE2-O 2.84Å |
| 250 | Y | 83.5 | Confident | 84 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 18% | 0.176 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -83 | 141.2 | 165.4 | -68.5 | -90.5 | 0 | 0 | 0 | 108.9 | H215 K218 R221 E254 G255 V256 P257 | H215-Y250 WeakPolarHBondContact O-CE1 3.47Å; K218-Y250 HydrophobicContact CG-CE1 4.04Å; K218-Y250 HydrophobicContact CG-CE2 3.99Å; K218-Y250 WeakPolarHBondContact CG-OH 3.25Å; R221-Y250 WeakPolarHBondContact CD-OH 3.41Å; Y250-E254 HydrophobicContact CD1-CB 4.44Å; Y250-G255 WeakPolarHBondContact CD1-O 3.31Å; Y250-V256 HydrophobicContact CD2-CB 4.44Å; Y250-V256 HydrophobicContact CD2-CG2 3.79Å; Y250-V256 HydrophobicContact CE2-CB 4.41Å; Y250-V256 HydrophobicContact CE2-CG1 4.04Å; Y250-V256 HydrophobicContact CE2-CG2 4.15Å; Y250-V256 HydrophobicContact CG-CG2 4.33Å; Y250-P257 HydrophobicContact CE1-CG 4.04Å; Y250-P257 VanDerWaalsContact OH-CD 3.23Å; Y250-P257 WeakPolarHBondContact OH-CD 3.45Å |
| 251 | Q | 80.5 | Confident | 83.7 | Confident | 111 Ų | 111 | 79 Ų | 79 | 52% | 0.519 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 153.6 | 172 | -61.4 | -173.8 | -27.9 | 0 | 0 | 109.6 | G253 E254 | Q251-G253 PolarHBondContact O-N 2.93Å; Q251-E254 HydrophobicContact CB-CG 3.97Å; Q251-E254 PolarHBondContact N-OE2 2.74Å; Q251-E254 WeakPolarHBondContact O-CB 3.07Å; Q251-E254 PolarHBondContact O-N 2.83Å |
| 252 | E | 75.1 | Confident | 83.6 | Confident | 207 Ų | 207 | 72 Ų | 72 | 97% | 0.967 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 124.4 | 178.9 | -159.8 | 169.6 | -163 | 0 | 0 | 109.8 | ||
| 253 | G | 73.6 | Confident | 83.6 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 86% | 0.856 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | -11.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q251 G255 | Q251-G253 PolarHBondContact O-N 2.93Å; G253-G255 PolarHBondContact O-N 3.28Å |
| 254 | E | 72.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 79.7 Ų | 79.7 | 23% | 0.234 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29.4 | 173.1 | -75.4 | -176.8 | 156.1 | 0 | 0 | 111.3 | K214 H215 Y250 Q251 | K214-E254 IonicContact NZ-OE1 3.12Å; K214-E254 PolarHBondContact NZ-OE1 3.41Å; K214-E254 VanDerWaalsContact NZ-OE1 3.12Å; H215-E254 PolarHBondContact CE1-O 3.5Å; Y250-E254 HydrophobicContact CD1-CB 4.44Å; Q251-E254 HydrophobicContact CB-CG 3.97Å; Q251-E254 PolarHBondContact N-OE2 2.74Å; Q251-E254 WeakPolarHBondContact O-CB 3.07Å; Q251-E254 PolarHBondContact O-N 2.83Å |
| 255 | G | 68.4 | Low | 84 | Confident | 42 Ų | 42 | 80.5 Ų | 80.5 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | trans | 71.5 | 148.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y250 G253 | Y250-G255 WeakPolarHBondContact CD1-O 3.31Å; G253-G255 PolarHBondContact O-N 3.28Å | ||
| 256 | V | 74.9 | Confident | 84.3 | Confident | 103 Ų | 103 | 76.5 Ų | 76.5 | 62% | 0.624 | 42% | 0.42 | S | S | * | . | trans | -82.1 | 129 | 169.8 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | Y250 S258 | Y250-V256 HydrophobicContact CD2-CB 4.44Å; Y250-V256 HydrophobicContact CD2-CG2 3.79Å; Y250-V256 HydrophobicContact CE2-CB 4.41Å; Y250-V256 HydrophobicContact CE2-CG1 4.04Å; Y250-V256 HydrophobicContact CE2-CG2 4.15Å; Y250-V256 HydrophobicContact CG-CG2 4.33Å; V256-S258 PolarHBondContact O-N 3.1Å | ||
| 257 | P | 77.4 | Confident | 84.6 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 18% | 0.175 | 42% | 0.422 | C | S | . | . | trans | -54.2 | 107.1 | 173.9 | -23.7 | 31.9 | 0 | 0 | 0 | 109.8 | Y74 Y250 | Y74-P257 HydrophobicContact CD1-CB 4.15Å; Y74-P257 HydrophobicContact CE1-CB 4.41Å; Y250-P257 HydrophobicContact CE1-CG 4.04Å; Y250-P257 VanDerWaalsContact OH-CD 3.23Å; Y250-P257 WeakPolarHBondContact OH-CD 3.45Å | ||
| 258 | S | 74.6 | Confident | 85.1 | Confident | 95 Ų | 95 | 76.6 Ų | 76.6 | 66% | 0.664 | 42% | 0.423 | S | S | * | . | trans | -100.9 | 125.9 | 175.6 | 66.1 | 0 | 0 | 0 | 0 | 109 | V256 Q260 | V256-S258 PolarHBondContact O-N 3.1Å; S258-Q260 PolarHBondContact O-N 2.89Å; S258-Q260 VanDerWaalsContact O-N 3.12Å | ||
| 259 | L | 82.5 | Confident | 85.6 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | trans | -63.4 | 115.3 | 171.7 | -73.6 | 178.7 | 0 | 0 | 0 | 109.6 | R73 Y74 H343 | R73-L259 HydrophobicContact CG-CD2 4.02Å; Y74-L259 HydrophobicContact CD1-CD2 4.09Å; Y74-L259 HydrophobicContact CE1-CD2 3.37Å; Y74-L259 HydrophobicContact CE1-CG 3.8Å; Y74-L259 HydrophobicContact CE2-CD2 3.98Å; Y74-L259 WeakPolarHBondContact OH-CD1 3.47Å; Y74-L259 WeakPolarHBondContact OH-CG 3.08Å; L259-H343 HydrophobicContact CD1-CB 3.76Å | ||
| 260 | Q | 82.2 | Confident | 86.1 | Confident | 143 Ų | 143 | 77.5 Ų | 77.5 | 67% | 0.668 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 140.8 | 168.3 | -67.1 | -172 | -8.6 | 0 | 0 | 109.4 | R73 S258 C262 | R73-Q260 PolarHBondContact NH2-O 2.78Å; S258-Q260 PolarHBondContact O-N 2.89Å; S258-Q260 VanDerWaalsContact O-N 3.12Å; Q260-C262 PolarHBondContact O-N 3.02Å |
| 261 | R | 89.6 | Confident | 86.8 | Confident | 199 Ų | 199 | 78.1 Ų | 78.1 | 75% | 0.751 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -60 | 125 | 175.6 | -175.2 | 178.4 | 176.9 | -173.7 | -1.8 | 109.7 | D344 | R261-D344 VanDerWaalsContact CA-OD2 3.23Å; R261-D344 WeakPolarHBondContact CA-OD2 3.41Å |
| 262 | C | 94.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 118.8 | 177.3 | -71.3 | 0 | 0 | 0 | 0 | 109.8 | R73 Y185 T188 L190 Q260 F264 D344 | R73-C262 PolarHBondContact NH2-SG 2.92Å; Y185-C262 HydrophobicContact CD1-CB 4.12Å; T188-C262 HydrophobicContact CG2-CB 4.48Å; L190-C262 HydrophobicContact CB-CB 4.25Å; L190-C262 HydrophobicContact CD1-CB 3.72Å; L190-C262 HydrophobicContact CG-CB 4.18Å; Q260-C262 PolarHBondContact O-N 3.02Å; C262-F264 PolarHBondContact O-N 3.12Å; C262-D344 PolarHBondContact N-OD2 3.11Å |
| 263 | R | 96.3 | Very high | 88.5 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 123.8 | 176.8 | -178.2 | -172.6 | 71.5 | -159.2 | -4.1 | 109.9 | T188 T265 | T188-R263 HydrophobicContact CG2-CB 4.49Å; R263-T265 PolarHBondContact NE-OG1 3.44Å |
| 264 | F | 98.1 | Very high | 89.6 | Confident | 25 Ų | 25 | 72 Ų | 72 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 135.6 | 164.7 | -174.9 | -85.4 | 0 | 0 | 0 | 110.9 | A184 Y185 C262 E286 L347 C447 A449 | A184-F264 HydrophobicContact CB-CD2 4.05Å; A184-F264 HydrophobicContact CB-CE2 3.78Å; A184-F264 CarbonylContact O-C 3.59Å; A184-F264 WeakPolarHBondContact O-CA 3.4Å; Y185-F264 HydrophobicContact CE1-CB 4.13Å; Y185-F264 HydrophobicContact CE1-CD2 4.09Å; C262-F264 PolarHBondContact O-N 3.12Å; F264-E286 HydrophobicContact CB-CB 3.9Å; F264-E286 HydrophobicContact CB-CG 3.64Å; F264-E286 HydrophobicContact CD1-CB 3.83Å; F264-E286 HydrophobicContact CD2-CB 3.73Å; F264-E286 HydrophobicContact CD2-CG 4.1Å; F264-E286 HydrophobicContact CE1-CB 4.26Å; F264-E286 HydrophobicContact CE2-CB 4.15Å; F264-E286 HydrophobicContact CG-CB 3.55Å; F264-E286 HydrophobicContact CG-CG 3.86Å; F264-E286 HydrophobicContact CZ-CB 4.4Å; F264-L347 HydrophobicContact CD2-CD2 4.05Å; F264-L347 HydrophobicContact CE2-CD2 3.63Å; F264-C447 WeakPolarHBondContact CE1-O 3.45Å; F264-A449 HydrophobicContact CE2-CB 4.06Å; F264-A449 HydrophobicContact CZ-CB 3.67Å |
| 265 | T | 98.3 | Very high | 90.7 | Very high | 34 Ų | 34 | 73.9 Ų | 73.9 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | trans | -126.8 | 120 | 176 | -47.4 | 0 | 0 | 0 | 0 | 108.4 | A184 Q186 R263 S267 | A184-T265 PolarHBondContact O-N 3.03Å; Q186-T265 HydrophobicContact CG-CG2 4.4Å; Q186-T265 VanDerWaalsContact NE2-CG2 3.26Å; R263-T265 PolarHBondContact NE-OG1 3.44Å; T265-S267 PolarHBondContact O-N 3.35Å; T265-S267 PolarHBondContact O-OG 3.02Å | ||
| 266 | G | 97.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | trans | -70.9 | 110.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P448 Y462 | G266-P448 CarbonylContact C-O 3.55Å; G266-P448 VanDerWaalsContact CA-O 3.23Å; G266-P448 WeakPolarHBondContact CA-O 3.42Å; G266-Y462 VanDerWaalsContact CA-OH 3.32Å; G266-Y462 WeakPolarHBondContact CA-OH 3.49Å; G266-Y462 PolarHBondContact O-OH 3.07Å | ||
| 267 | S | 97.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 72.8 Ų | 72.8 | 15% | 0.147 | 37% | 0.374 | C | S | . | . | trans | -153.1 | 174.1 | -177.8 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | T183 Q186 T265 P448 A449 V450 Y462 | T183-S267 PolarHBondContact O-OG 3.28Å; T183-S267 WeakPolarHBondContact OG1-CB 3.2Å; T183-S267 PolarHBondContact OG1-OG 3.3Å; Q186-S267 PolarHBondContact NE2-OG 3.37Å; Q186-S267 VanDerWaalsContact NE2-OG 3.14Å; T265-S267 PolarHBondContact O-N 3.35Å; T265-S267 PolarHBondContact O-OG 3.02Å; S267-P448 PolarHBondContact N-O 3Å; S267-A449 CarbonylContact O-C 3.6Å; S267-A449 VanDerWaalsContact O-CA 3.31Å; S267-A449 WeakPolarHBondContact O-CA 3.37Å; S267-V450 PolarHBondContact O-N 3.2Å; S267-Y462 PolarHBondContact N-OH 3.36Å | ||
| 268 | E | 97.5 | Very high | 93.7 | Very high | 72 Ų | 72 | 72.7 Ų | 72.7 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153.1 | 176.2 | 64.3 | 175.8 | 172.9 | 0 | 0 | 113.1 | R270 V450 Y462 | E268-R270 IonicContact OE1-NE 2.69Å; E268-R270 IonicContact OE1-NH2 2.69Å; E268-R270 IonicContact OE2-CZ 2.7Å; E268-R270 VanDerWaalsContact OE2-CZ 3.28Å; E268-R270 IonicContact OE2-NE 3.75Å; E268-R270 PolarHBondContact OE2-NE 3.03Å; E268-R270 IonicContact OE2-NH2 3.16Å; E268-R270 PolarHBondContact OE2-NH2 3.12Å; E268-V450 CarbonylContact C-O 3.4Å; E268-V450 WeakPolarHBondContact CA-O 3.33Å; E268-V450 HydrophobicContact CB-CB 4.08Å; E268-Y462 HydrophobicContact CB-CD2 3.88Å; E268-Y462 HydrophobicContact CG-CD2 4.1Å; E268-Y462 HydrophobicContact CG-CG 4.48Å |
| 269 | I | 97.5 | Very high | 94.8 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.9 | 164.7 | -173 | 169.9 | 0 | 0 | 0 | 108.8 | Y179 T183 V450 A451 S452 | Y179-I269 HydrophobicContact CD1-CD1 4.21Å; Y179-I269 HydrophobicContact CD2-CD1 4.43Å; Y179-I269 HydrophobicContact CG-CD1 4.11Å; Y179-I269 HydrophobicContact CG-CG2 4.38Å; T183-I269 HydrophobicContact CG2-CG2 4.17Å; I269-V450 PolarHBondContact N-O 2.98Å; I269-A451 HydrophobicContact CG2-CB 3.69Å; I269-A451 WeakPolarHBondContact O-CA 3.23Å; I269-S452 PolarHBondContact O-N 2.87Å; I269-S452 VanDerWaalsContact O-N 3.12Å |
| 270 | R | 96.9 | Very high | 95.5 | Very high | 83 Ų | 83 | 66.8 Ų | 66.8 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 111.9 | 179.9 | -60.9 | -175.9 | -170.4 | -145.6 | -7.7 | 109.4 | E268 V456 M459 L460 D461 | E268-R270 IonicContact OE1-NE 2.69Å; E268-R270 IonicContact OE1-NH2 2.69Å; E268-R270 IonicContact OE2-CZ 2.7Å; E268-R270 VanDerWaalsContact OE2-CZ 3.28Å; E268-R270 IonicContact OE2-NE 3.75Å; E268-R270 PolarHBondContact OE2-NE 3.03Å; E268-R270 IonicContact OE2-NH2 3.16Å; E268-R270 PolarHBondContact OE2-NH2 3.12Å; R270-V456 HydrophobicContact CB-CG2 4.37Å; R270-M459 PolarHBondContact NH1-O 3.36Å; R270-L460 PolarHBondContact NH2-O 2.61Å; R270-D461 VanDerWaalsContact NH2-CA 3.3Å |
| 271 | D | 96.7 | Very high | 96.2 | Very high | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 90.9 | 173.3 | -166.6 | 0 | 0 | 0 | 0 | 109 | Y179 D273 S452 I453 G454 | Y179-D271 HydrophobicContact CD2-CB 4.47Å; Y179-D271 HydrophobicContact CE2-CB 3.69Å; Y179-D271 WeakPolarHBondContact CE2-OD2 3.3Å; Y179-D271 PolarHBondContact OH-OD2 2.88Å; D271-D273 PolarHBondContact O-N 3.04Å; D271-S452 PolarHBondContact N-O 2.93Å; D271-I453 HydrophobicContact CB-CB 4.26Å; D271-I453 HydrophobicContact CB-CD1 4.46Å; D271-I453 HydrophobicContact CB-CG1 4.01Å; D271-I453 CarbonylContact O-C 3.57Å; D271-I453 VanDerWaalsContact O-CA 3.26Å; D271-I453 WeakPolarHBondContact O-CA 3.32Å; D271-G454 PolarHBondContact O-N 2.73Å |
| 272 | R | 96.7 | Very high | 96.6 | Very high | 128 Ų | 128 | 50.5 Ų | 50.5 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.3 | -172.7 | -178.5 | -177.7 | 175.6 | 173.4 | -1 | 110.2 | D274 V456 E457 | R272-D274 IonicContact CZ-OD1 2.65Å; R272-D274 IonicContact CZ-OD2 2.7Å; R272-D274 IonicContact NE-OD1 2.61Å; R272-D274 PolarHBondContact NE-OD1 3.19Å; R272-D274 IonicContact NE-OD2 2.72Å; R272-D274 PolarHBondContact NE-OD2 2.64Å; R272-D274 IonicContact NH2-OD1 2.73Å; R272-D274 IonicContact NH2-OD2 2.63Å; R272-D274 PolarHBondContact NH2-OD2 2.94Å; R272-V456 HydrophobicContact CB-CG2 4.06Å; R272-V456 HydrophobicContact CG-CG2 4.37Å; R272-E457 IonicContact CZ-OE1 3.25Å; R272-E457 IonicContact NH1-OE1 2.98Å; R272-E457 PolarHBondContact NH1-OE1 2.77Å; R272-E457 IonicContact NH2-OE1 3.67Å; R272-E457 PolarHBondContact NH2-OE1 3.29Å; R272-E457 IonicContact NH2-OE2 2.85Å; R272-E457 PolarHBondContact NH2-OE2 2.77Å |
| 273 | D | 95.9 | Very high | 96.8 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | trans | -128.3 | 100.4 | 167.8 | -173.4 | -3.9 | 0 | 0 | 0 | 110.4 | D271 A275 M276 G454 P455 | D271-D273 PolarHBondContact O-N 3.04Å; D273-A275 PolarHBondContact O-N 2.63Å; D273-A275 VanDerWaalsContact OD1-CB 3.24Å; D273-A275 WeakPolarHBondContact OD1-CB 3.29Å; D273-A275 PolarHBondContact OD1-N 3.4Å; D273-M276 HydrophobicContact CB-CG 4.04Å; D273-M276 HydrophobicContact CB-SD 4.05Å; D273-M276 PolarHBondContact O-N 3.42Å; D273-G454 PolarHBondContact N-O 3.45Å; D273-G454 CarbonylContact O-C 3.5Å; D273-G454 VanDerWaalsContact O-CA 3.28Å; D273-G454 WeakPolarHBondContact O-CA 3.35Å; D273-P455 VanDerWaalsContact O-N 3.12Å | ||
| 274 | D | 95.4 | Very high | 96.9 | Very high | 74 Ų | 74 | 43 Ų | 43 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.2 | 179.4 | -76.6 | 7.1 | 0 | 0 | 0 | 113.1 | R272 K356 | R272-D274 IonicContact CZ-OD1 2.65Å; R272-D274 IonicContact CZ-OD2 2.7Å; R272-D274 IonicContact NE-OD1 2.61Å; R272-D274 PolarHBondContact NE-OD1 3.19Å; R272-D274 IonicContact NE-OD2 2.72Å; R272-D274 PolarHBondContact NE-OD2 2.64Å; R272-D274 IonicContact NH2-OD1 2.73Å; R272-D274 IonicContact NH2-OD2 2.63Å; R272-D274 PolarHBondContact NH2-OD2 2.94Å; D274-K356 IonicContact OD2-NZ 2.73Å |
| 275 | A | 95.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 42 Ų | 42 | 74% | 0.744 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -20.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D273 | D273-A275 PolarHBondContact O-N 2.63Å; D273-A275 VanDerWaalsContact OD1-CB 3.24Å; D273-A275 WeakPolarHBondContact OD1-CB 3.29Å; D273-A275 PolarHBondContact OD1-N 3.4Å |
| 276 | M | 95.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.069 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -67.7 | 143 | 176.1 | -71.6 | 179.6 | 66 | 0 | 0 | 111.4 | Y172 D273 V278 I453 G454 | Y172-M276 HydrophobicContact CD1-CE 3.64Å; Y172-M276 HydrophobicContact CD1-SD 4.5Å; Y172-M276 HydrophobicContact CD2-CE 3.72Å; Y172-M276 HydrophobicContact CE1-CE 3.59Å; Y172-M276 HydrophobicContact CE1-SD 4.15Å; Y172-M276 HydrophobicContact CE2-CE 3.68Å; Y172-M276 HydrophobicContact CG-CE 3.7Å; D273-M276 HydrophobicContact CB-CG 4.04Å; D273-M276 HydrophobicContact CB-SD 4.05Å; D273-M276 PolarHBondContact O-N 3.42Å; M276-V278 PolarHBondContact O-N 3.26Å; M276-I453 HydrophobicContact SD-CD1 4.41Å; M276-I453 HydrophobicContact SD-CG1 3.93Å; M276-G454 VanDerWaalsContact SD-CA 3.55Å |
| 277 | P | 93.3 | Very high | 96.8 | Very high | 107 Ų | 107 | 42.6 Ų | 42.6 | 70% | 0.695 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -71.5 | -30.1 | -175.7 | 27.3 | -34.3 | 0 | 0 | 0 | 113.5 | ||
| 278 | V | 95.5 | Very high | 96.7 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -139.4 | 152.1 | -176.2 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | M276 T353 P455 | M276-V278 PolarHBondContact O-N 3.26Å; V278-T353 HydrophobicContact CB-CG2 3.87Å; V278-T353 HydrophobicContact CG2-CG2 3.51Å; V278-P455 WeakPolarHBondContact O-CD 3.21Å |
| 279 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 140.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T353 A354 L359 P455 V456 | A279-T353 CarbonylContact O-C 3.58Å; A279-T353 WeakPolarHBondContact O-CA 2.99Å; A279-A354 PolarHBondContact N-O 3.21Å; A279-A354 PolarHBondContact O-N 3.46Å; A279-L359 HydrophobicContact CB-CD1 4.32Å; A279-L359 HydrophobicContact CB-CD2 3.78Å; A279-L359 HydrophobicContact CB-CG 4.47Å; A279-P455 HydrophobicContact CB-CG 4.18Å; A279-V456 HydrophobicContact CB-CG1 4.13Å |
| 280 | H | 97.8 | Very high | 96.3 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132 | 172.7 | -61 | -101.9 | 0 | 0 | 0 | 108.6 | Y172 V176 Y351 T353 S452 I453 | Y172-H280 AromaticContact CD2-NE2 3.68Å; V176-H280 HydrophobicContact CG2-CB 3.9Å; H280-Y351 HydrophobicContact CB-CE2 4.2Å; H280-Y351 AromaticContact ND1-CZ 3.86Å; H280-Y351 PolarHBondContact ND1-OH 3.09Å; H280-T353 PolarHBondContact ND1-OG1 3.19Å; H280-S452 CarbonylContact O-C 3.56Å; H280-S452 WeakPolarHBondContact O-CA 3.49Å; H280-I453 HydrophobicContact CB-CG2 3.77Å; H280-I453 PolarHBondContact N-O 3.05Å; H280-I453 PolarHBondContact O-N 3.46Å |
| 281 | A | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y351 L352 L359 A451 M459 | A281-Y351 CarbonylContact O-C 3.57Å; A281-Y351 WeakPolarHBondContact O-CA 3.43Å; A281-L352 HydrophobicContact CB-CG 4.4Å; A281-L352 PolarHBondContact N-O 2.91Å; A281-L352 PolarHBondContact O-N 2.68Å; A281-L359 HydrophobicContact CB-CD1 3.94Å; A281-A451 CarbonylContact C-O 3.58Å; A281-A451 WeakPolarHBondContact CA-O 3.47Å; A281-M459 HydrophobicContact CB-CE 4.41Å |
| 282 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V176 L180 F338 V350 Y351 V450 A451 | V176-A282 HydrophobicContact CG1-CB 3.51Å; L180-A282 HydrophobicContact CD2-CB 3.97Å; A282-F338 HydrophobicContact CB-CE1 4.17Å; A282-F338 HydrophobicContact CB-CZ 4.4Å; A282-V350 WeakPolarHBondContact CA-O 3.47Å; A282-Y351 HydrophobicContact CB-CD2 4.3Å; A282-V450 WeakPolarHBondContact O-CA 3.37Å; A282-A451 PolarHBondContact N-O 3.33Å; A282-A451 PolarHBondContact O-N 3.44Å |
| 283 | I | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 126.3 | 175.8 | -58.3 | 150.8 | 0 | 0 | 0 | 107.2 | G349 V350 V363 L367 P448 A449 V450 | I283-G349 CarbonylContact O-C 3.56Å; I283-G349 WeakPolarHBondContact O-CA 3.27Å; I283-V350 PolarHBondContact N-O 3.37Å; I283-V350 PolarHBondContact O-N 2.92Å; I283-V363 HydrophobicContact CD1-CB 4.15Å; I283-V363 HydrophobicContact CD1-CG1 3.51Å; I283-V363 HydrophobicContact CD1-CG2 3.91Å; I283-L367 HydrophobicContact CG2-CD2 4.32Å; I283-P448 HydrophobicContact CG2-CB 3.97Å; I283-A449 WeakPolarHBondContact CA-O 3.45Å; I283-V450 HydrophobicContact CG1-CG1 4.19Å; I283-V450 HydrophobicContact CG1-CG2 4.32Å; I283-V450 HydrophobicContact CG2-CG2 4.34Å |
| 284 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L180 F338 L347 W348 P448 A449 | L180-A284 HydrophobicContact CD1-CB 4.2Å; L180-A284 HydrophobicContact CD2-CB 3.97Å; L180-A284 HydrophobicContact CG-CB 4.49Å; A284-F338 HydrophobicContact CB-CE2 3.96Å; A284-F338 HydrophobicContact CB-CZ 3.9Å; A284-L347 HydrophobicContact CB-CB 4.13Å; A284-L347 HydrophobicContact CB-CD2 4.19Å; A284-W348 CarbonylContact C-O 3.54Å; A284-W348 VanDerWaalsContact CA-O 3.28Å; A284-W348 WeakPolarHBondContact CA-O 3.44Å; A284-P448 CarbonylContact O-C 3.51Å; A284-P448 VanDerWaalsContact O-CA 3.26Å; A284-P448 WeakPolarHBondContact O-CA 3.33Å; A284-P448 WeakPolarHBondContact O-CB 3.22Å; A284-A449 PolarHBondContact N-O 3.4Å; A284-A449 PolarHBondContact O-N 3.29Å |
| 285 | F | 97.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 154 | 168.9 | -65.6 | -93.5 | 0 | 0 | 0 | 109.6 | G287 W348 L367 F370 F443 K446 P448 T469 | F285-G287 PolarHBondContact O-N 3.43Å; F285-W348 PolarHBondContact N-O 3.05Å; F285-W348 PolarHBondContact O-N 3.15Å; F285-L367 HydrophobicContact CE2-CD2 4.44Å; F285-L367 HydrophobicContact CZ-CD2 4.23Å; F285-F370 AromaticContact CE2-CD2 3.81Å; F285-F370 HydrophobicContact CE2-CD2 3.81Å; F285-F370 HydrophobicContact CE2-CE2 4.16Å; F285-F443 HydrophobicContact CB-CD1 3.7Å; F285-F443 HydrophobicContact CB-CE1 3.98Å; F285-F443 HydrophobicContact CD1-CD1 4.34Å; F285-F443 AromaticContact CD2-CD1 3.9Å; F285-F443 HydrophobicContact CD2-CD1 3.9Å; F285-F443 HydrophobicContact CD2-CE1 4.49Å; F285-F443 AromaticContact CG-CD1 3.72Å; F285-F443 HydrophobicContact CG-CD1 3.72Å; F285-F443 HydrophobicContact CG-CE1 4.39Å; F285-K446 HydrophobicContact CD1-CB 3.81Å; F285-K446 HydrophobicContact CE1-CB 4.1Å; F285-P448 HydrophobicContact CD1-CB 4.24Å; F285-P448 HydrophobicContact CE1-CB 3.87Å; F285-P448 HydrophobicContact CE1-CG 4.39Å; F285-P448 HydrophobicContact CE2-CB 4.26Å; F285-P448 HydrophobicContact CZ-CB 3.88Å; F285-P448 HydrophobicContact CZ-CG 4.4Å; F285-T469 HydrophobicContact CE1-CG2 3.92Å; F285-T469 HydrophobicContact CZ-CG2 3.81Å |
| 286 | E | 98 | Very high | 95.5 | Very high | 68 Ų | 68 | 29.6 Ų | 29.6 | 32% | 0.318 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 124.1 | 169.8 | -166.9 | -178.8 | -165.1 | 0 | 0 | 109.4 | F264 Y442 | F264-E286 HydrophobicContact CB-CB 3.9Å; F264-E286 HydrophobicContact CB-CG 3.64Å; F264-E286 HydrophobicContact CD1-CB 3.83Å; F264-E286 HydrophobicContact CD2-CB 3.73Å; F264-E286 HydrophobicContact CD2-CG 4.1Å; F264-E286 HydrophobicContact CE1-CB 4.26Å; F264-E286 HydrophobicContact CE2-CB 4.15Å; F264-E286 HydrophobicContact CG-CB 3.55Å; F264-E286 HydrophobicContact CG-CG 3.86Å; F264-E286 HydrophobicContact CZ-CB 4.4Å; E286-Y442 WeakPolarHBondContact O-CD1 3.24Å |
| 287 | G | 96.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -178.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F285 S346 | F285-G287 PolarHBondContact O-N 3.43Å; G287-S346 WeakPolarHBondContact CA-OG 3.23Å; G287-S346 PolarHBondContact N-O 3.15Å; G287-S346 PolarHBondContact O-N 2.68Å; G287-S346 VanDerWaalsContact O-N 3.14Å; G287-S346 PolarHBondContact O-OG 3.03Å |
| 288 | P | 96.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 24 Ų | 24 | 8% | 0.084 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 161.7 | 176.6 | 34.9 | -34.8 | 0 | 0 | 0 | 112 | S292 D294 L298 S346 Y442 | P288-S292 VanDerWaalsContact CB-CB 3.42Å; P288-D294 HydrophobicContact CG-CB 4.09Å; P288-L298 HydrophobicContact CG-CD1 4.03Å; P288-S346 WeakPolarHBondContact O-CB 3.46Å; P288-S346 PolarHBondContact O-OG 3.35Å; P288-Y442 HydrophobicContact CB-CE1 4.29Å; P288-Y442 HydrophobicContact CG-CE1 4.33Å |
| 289 | G | 94.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | trans | -75.5 | 173.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q291 S292 T295 C341 Y342 H343 | G289-Q291 VanDerWaalsContact C-N 3.27Å; G289-Q291 PolarHBondContact O-N 3.35Å; G289-Q291 VanDerWaalsContact O-N 3.12Å; G289-S292 WeakPolarHBondContact O-CB 3.41Å; G289-S292 PolarHBondContact O-N 3.5Å; G289-S292 VanDerWaalsContact O-N 3.12Å; G289-T295 PolarHBondContact O-OG1 3.35Å; G289-C341 VanDerWaalsContact C-SG 3.58Å; G289-Y342 CarbonylContact C-O 3.47Å; G289-Y342 WeakPolarHBondContact CA-O 3.33Å; G289-H343 WeakPolarHBondContact CA-O 3.28Å | ||
| 290 | W | 92.2 | Very high | 95.6 | Very high | 36 Ų | 36 | 24.8 Ų | 24.8 | 14% | 0.136 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -36.2 | -172.3 | -77.9 | 115 | 0 | 0 | 0 | 115.3 | S292 T295 M299 C341 Y342 V413 Y414 | W290-S292 PolarHBondContact O-N 2.8Å; W290-T295 HydrophobicContact CE3-CG2 4.08Å; W290-T295 HydrophobicContact CZ3-CG2 4.3Å; W290-M299 HydrophobicContact CH2-CE 4.16Å; W290-M299 HydrophobicContact CZ3-CE 3.72Å; W290-C341 HydrophobicContact CD2-CB 3.85Å; W290-C341 VanDerWaalsContact CD2-SG 3.56Å; W290-C341 HydrophobicContact CE3-CB 4.19Å; W290-C341 HydrophobicContact CG-CB 4.42Å; W290-C341 HydrophobicContact CH2-CB 4.01Å; W290-C341 HydrophobicContact CZ2-CB 3.64Å; W290-C341 HydrophobicContact CZ3-CB 4.27Å; W290-C341 PolarHBondContact N-SG 3.27Å; W290-C341 PolarHBondContact NE1-O 3.28Å; W290-Y342 VanDerWaalsContact CD1-C 3.47Å; W290-Y342 PolarHBondContact N-O 3.46Å; W290-V413 HydrophobicContact CB-CG1 3.16Å; W290-V413 HydrophobicContact CD2-CG1 3.76Å; W290-V413 HydrophobicContact CE3-CG1 4.4Å; W290-V413 HydrophobicContact CG-CB 4.41Å; W290-V413 HydrophobicContact CG-CG1 3.2Å; W290-V413 HydrophobicContact CG-CG2 4.32Å; W290-Y414 HydrophobicContact CB-CE1 4.25Å; W290-Y414 AromaticContact CE3-CZ 3.97Å; W290-Y414 WeakPolarHBondContact O-CE1 3.44Å |
| 291 | Q | 88.1 | Confident | 95.4 | Very high | 140 Ų | 140 | 23.9 Ų | 23.9 | 65% | 0.654 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.1 | -175.8 | -64.6 | -173.7 | -2.3 | 0 | 0 | 114.1 | G289 | G289-Q291 VanDerWaalsContact C-N 3.27Å; G289-Q291 PolarHBondContact O-N 3.35Å; G289-Q291 VanDerWaalsContact O-N 3.12Å |
| 292 | S | 94.4 | Very high | 95.2 | Very high | 38 Ų | 38 | 24.6 Ų | 24.6 | 27% | 0.266 | 14% | 0.137 | S | C | . | . | trans | -71.5 | 140.4 | -179.1 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | P288 G289 W290 D294 T295 | P288-S292 VanDerWaalsContact CB-CB 3.42Å; G289-S292 WeakPolarHBondContact O-CB 3.41Å; G289-S292 PolarHBondContact O-N 3.5Å; G289-S292 VanDerWaalsContact O-N 3.12Å; W290-S292 PolarHBondContact O-N 2.8Å; S292-D294 PolarHBondContact O-N 2.87Å; S292-D294 WeakPolarHBondContact OG-CB 3.43Å; S292-D294 PolarHBondContact OG-N 2.79Å; S292-T295 WeakPolarHBondContact O-CB 3.41Å; S292-T295 PolarHBondContact O-N 2.94Å; S292-T295 PolarHBondContact O-OG1 3.02Å | ||
| 293 | S | 90.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 25.5 Ų | 25.5 | 68% | 0.678 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.5 | 169 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | T295 | S293-T295 VanDerWaalsContact C-N 3.28Å; S293-T295 PolarHBondContact O-N 3.33Å |
| 294 | D | 96 | Very high | 94.5 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74 | -21.7 | -174.4 | -58.8 | -3.2 | 0 | 0 | 0 | 112.1 | P288 S292 L296 A297 L298 I438 K441 Y442 | P288-D294 HydrophobicContact CG-CB 4.09Å; S292-D294 PolarHBondContact O-N 2.87Å; S292-D294 WeakPolarHBondContact OG-CB 3.43Å; S292-D294 PolarHBondContact OG-N 2.79Å; D294-L296 VanDerWaalsContact C-N 3.26Å; D294-L296 PolarHBondContact O-N 2.79Å; D294-A297 WeakPolarHBondContact O-CB 3.37Å; D294-A297 PolarHBondContact O-N 3Å; D294-L298 PolarHBondContact O-N 2.97Å; D294-I438 HydrophobicContact CB-CD1 3.92Å; D294-I438 WeakPolarHBondContact OD1-CD1 3.47Å; D294-K441 IonicContact OD2-NZ 3.94Å; D294-K441 PolarHBondContact OD2-NZ 3.28Å; D294-Y442 HydrophobicContact CB-CE2 3.84Å; D294-Y442 WeakPolarHBondContact OD2-CE2 3.28Å; D294-Y442 PolarHBondContact OD2-OH 2.9Å |
| 295 | T | 95.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.5 | -42.4 | -179.9 | -60 | 0 | 0 | 0 | 0 | 111.7 | G289 W290 S292 S293 L298 M299 F339 | G289-T295 PolarHBondContact O-OG1 3.35Å; W290-T295 HydrophobicContact CE3-CG2 4.08Å; W290-T295 HydrophobicContact CZ3-CG2 4.3Å; S292-T295 WeakPolarHBondContact O-CB 3.41Å; S292-T295 PolarHBondContact O-N 2.94Å; S292-T295 PolarHBondContact O-OG1 3.02Å; S293-T295 VanDerWaalsContact C-N 3.28Å; S293-T295 PolarHBondContact O-N 3.33Å; T295-L298 PolarHBondContact O-N 3.43Å; T295-M299 HydrophobicContact CG2-CE 4.31Å; T295-M299 WeakPolarHBondContact O-CG 3.47Å; T295-M299 PolarHBondContact O-N 3.18Å; T295-F339 HydrophobicContact CG2-CE1 3.61Å; T295-F339 HydrophobicContact CG2-CZ 3.8Å |
| 296 | L | 94.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 13% | 0.131 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.2 | -35.7 | 178.9 | -169.8 | 66.9 | 0 | 0 | 0 | 112.4 | D294 L298 M299 V300 L423 R426 I427 L430 | D294-L296 VanDerWaalsContact C-N 3.26Å; D294-L296 PolarHBondContact O-N 2.79Å; L296-L298 VanDerWaalsContact C-N 3.31Å; L296-M299 HydrophobicContact CD1-SD 4.14Å; L296-M299 PolarHBondContact O-N 3.15Å; L296-V300 PolarHBondContact O-N 3.16Å; L296-V300 VanDerWaalsContact O-N 3.13Å; L296-L423 HydrophobicContact CD1-CD1 3.79Å; L296-R426 HydrophobicContact CD2-CB 3.32Å; L296-R426 HydrophobicContact CD2-CG 4.49Å; L296-I427 HydrophobicContact CD1-CD1 4.35Å; L296-I427 HydrophobicContact CD1-CG1 3.78Å; L296-I427 HydrophobicContact CD2-CG1 3.97Å; L296-I427 HydrophobicContact CG-CG1 4.08Å; L296-L430 HydrophobicContact CG-CD1 4.31Å |
| 297 | A | 95.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | D294 V300 A301 L430 I435 I438 | D294-A297 WeakPolarHBondContact O-CB 3.37Å; D294-A297 PolarHBondContact O-N 3Å; A297-V300 PolarHBondContact O-N 3.25Å; A297-A301 PolarHBondContact O-N 2.8Å; A297-L430 HydrophobicContact CB-CD1 4.42Å; A297-L430 HydrophobicContact CB-CD2 4.05Å; A297-I435 HydrophobicContact CB-CD1 3.94Å; A297-I435 WeakPolarHBondContact O-CD1 3.25Å; A297-I438 HydrophobicContact CB-CB 4.32Å; A297-I438 HydrophobicContact CB-CG1 3.93Å; A297-I438 HydrophobicContact CB-CG2 4.09Å |
| 298 | L | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.6 | -35 | 175.1 | -71.3 | -174.3 | 0 | 0 | 0 | 113.6 | P288 D294 T295 L296 V300 A301 S302 F339 W348 I438 Y442 F443 | P288-L298 HydrophobicContact CG-CD1 4.03Å; D294-L298 PolarHBondContact O-N 2.97Å; T295-L298 PolarHBondContact O-N 3.43Å; L296-L298 VanDerWaalsContact C-N 3.31Å; L298-V300 VanDerWaalsContact C-N 3.34Å; L298-A301 WeakPolarHBondContact O-CB 3.46Å; L298-A301 PolarHBondContact O-N 3.18Å; L298-S302 PolarHBondContact O-N 2.79Å; L298-S302 PolarHBondContact O-OG 3.15Å; L298-F339 HydrophobicContact CB-CE1 4.39Å; L298-F339 HydrophobicContact CB-CE2 4.4Å; L298-F339 HydrophobicContact CB-CZ 4.15Å; L298-F339 HydrophobicContact CD1-CE2 4.16Å; L298-F339 HydrophobicContact CD1-CZ 4.3Å; L298-W348 PolarHBondContact O-NE1 2.91Å; L298-W348 VanDerWaalsContact O-NE1 3.1Å; L298-I438 HydrophobicContact CD2-CG2 3.63Å; L298-I438 HydrophobicContact CG-CG2 3.96Å; L298-Y442 HydrophobicContact CD1-CD2 4.24Å; L298-Y442 HydrophobicContact CD1-CG 4.48Å; L298-Y442 HydrophobicContact CD2-CD2 4.33Å; L298-F443 HydrophobicContact CD2-CE2 3.99Å; L298-F443 HydrophobicContact CD2-CZ 3.53Å |
| 299 | M | 95.4 | Very high | 92.6 | Very high | 41 Ų | 41 | 30 Ų | 30 | 20% | 0.202 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 171.3 | -70.4 | 173.9 | 167.6 | 0 | 0 | 112.2 | W290 T295 L296 A301 S302 S303 F339 L389 | W290-M299 HydrophobicContact CH2-CE 4.16Å; W290-M299 HydrophobicContact CZ3-CE 3.72Å; T295-M299 HydrophobicContact CG2-CE 4.31Å; T295-M299 WeakPolarHBondContact O-CG 3.47Å; T295-M299 PolarHBondContact O-N 3.18Å; L296-M299 HydrophobicContact CD1-SD 4.14Å; L296-M299 PolarHBondContact O-N 3.15Å; M299-A301 VanDerWaalsContact C-N 3.35Å; M299-S302 PolarHBondContact O-N 3.46Å; M299-S303 PolarHBondContact O-N 3.22Å; M299-S303 PolarHBondContact O-OG 2.83Å; M299-F339 HydrophobicContact CE-CD1 4.24Å; M299-F339 HydrophobicContact CE-CE1 4.14Å; M299-F339 HydrophobicContact CG-CD1 3.68Å; M299-F339 HydrophobicContact CG-CE1 3.81Å; M299-L389 HydrophobicContact CB-CD1 4.27Å; M299-L389 HydrophobicContact CB-CD2 3.85Å |
| 300 | V | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 173.3 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | L296 A297 L298 S303 L304 I382 A385 K386 L389 I427 L430 I435 | L296-V300 PolarHBondContact O-N 3.16Å; L296-V300 VanDerWaalsContact O-N 3.13Å; A297-V300 PolarHBondContact O-N 3.25Å; L298-V300 VanDerWaalsContact C-N 3.34Å; V300-S303 WeakPolarHBondContact O-CB 3.33Å; V300-S303 PolarHBondContact O-N 2.62Å; V300-S303 VanDerWaalsContact O-N 3.17Å; V300-L304 PolarHBondContact O-N 2.91Å; V300-I382 HydrophobicContact CG1-CG2 4.38Å; V300-A385 HydrophobicContact CG1-CB 4.22Å; V300-K386 HydrophobicContact CG1-CG 4.06Å; V300-K386 HydrophobicContact CG2-CG 4.35Å; V300-L389 HydrophobicContact CB-CD2 4.48Å; V300-L389 HydrophobicContact CG2-CD2 3.56Å; V300-I427 HydrophobicContact CG2-CG2 4.23Å; V300-L430 HydrophobicContact CB-CD1 4.27Å; V300-L430 HydrophobicContact CG2-CD1 3.64Å; V300-I435 HydrophobicContact CB-CD1 4.17Å; V300-I435 HydrophobicContact CG1-CD1 4.12Å |
| 301 | A | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A297 L298 M299 S303 L304 W348 M373 I435 | A297-A301 PolarHBondContact O-N 2.8Å; L298-A301 WeakPolarHBondContact O-CB 3.46Å; L298-A301 PolarHBondContact O-N 3.18Å; M299-A301 VanDerWaalsContact C-N 3.35Å; A301-S303 PolarHBondContact O-N 2.72Å; A301-L304 VanDerWaalsContact O-CB 3.28Å; A301-L304 WeakPolarHBondContact O-CB 2.98Å; A301-L304 PolarHBondContact O-N 3.32Å; A301-L304 VanDerWaalsContact O-N 3.07Å; A301-W348 HydrophobicContact CB-CZ2 4.01Å; A301-M373 HydrophobicContact CB-CE 4.17Å; A301-I435 HydrophobicContact CB-CG2 4.47Å |
| 302 | S | 93.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -37.1 | 174.4 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | L298 M299 L304 G306 H337 W348 | L298-S302 PolarHBondContact O-N 2.79Å; L298-S302 PolarHBondContact O-OG 3.15Å; M299-S302 PolarHBondContact O-N 3.46Å; S302-L304 PolarHBondContact O-N 3.41Å; S302-G306 PolarHBondContact O-N 3.44Å; S302-G306 VanDerWaalsContact O-N 3.09Å; S302-H337 VanDerWaalsContact CB-ND1 3.25Å; S302-H337 WeakPolarHBondContact CB-ND1 3.42Å; S302-H337 PolarHBondContact OG-CE1 3.06Å; S302-H337 PolarHBondContact OG-ND1 3.15Å; S302-W348 PolarHBondContact OG-NE1 3.41Å |
| 303 | S | 92.5 | Very high | 91.3 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.3 | -12.2 | -178.7 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | M299 V300 A301 Q388 | M299-S303 PolarHBondContact O-N 3.22Å; M299-S303 PolarHBondContact O-OG 2.83Å; V300-S303 WeakPolarHBondContact O-CB 3.33Å; V300-S303 PolarHBondContact O-N 2.62Å; V300-S303 VanDerWaalsContact O-N 3.17Å; A301-S303 PolarHBondContact O-N 2.72Å; S303-Q388 PolarHBondContact O-OE1 3.28Å |
| 304 | L | 90 | Very high | 90.7 | Very high | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -40.1 | 176.7 | -74.1 | 164.7 | 0 | 0 | 0 | 112.6 | V300 A301 S302 M373 V377 E381 I382 A385 | V300-L304 PolarHBondContact O-N 2.91Å; A301-L304 VanDerWaalsContact O-CB 3.28Å; A301-L304 WeakPolarHBondContact O-CB 2.98Å; A301-L304 PolarHBondContact O-N 3.32Å; A301-L304 VanDerWaalsContact O-N 3.07Å; S302-L304 PolarHBondContact O-N 3.41Å; L304-M373 HydrophobicContact CB-SD 4.34Å; L304-M373 HydrophobicContact CD1-CG 4.39Å; L304-M373 HydrophobicContact CD1-SD 3.57Å; L304-M373 VanDerWaalsContact CD1-SD 3.57Å; L304-V377 HydrophobicContact CD1-CG2 3.95Å; L304-V377 HydrophobicContact CD2-CG2 4.23Å; L304-E381 HydrophobicContact CD2-CB 3.83Å; L304-E381 WeakPolarHBondContact CD2-O 3.23Å; L304-I382 HydrophobicContact CD1-CD1 3.99Å; L304-I382 HydrophobicContact CD2-CD1 4.05Å; L304-I382 HydrophobicContact CG-CD1 4.46Å; L304-A385 HydrophobicContact CD2-CB 3.68Å; L304-A385 HydrophobicContact CG-CB 3.86Å |
| 305 | H | 84.7 | Confident | 89.8 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -95.7 | -37.8 | 178 | -53.1 | 127.2 | 0 | 0 | 0 | 111.7 | E369 F370 M373 | H305-E369 IonicContact CD2-OE1 3.44Å; H305-E369 WeakPolarHBondContact NE2-CG 3.31Å; H305-E369 IonicContact NE2-OE1 3.46Å; H305-E369 PolarHBondContact NE2-OE1 3.46Å; H305-F370 AromaticContact ND1-CE1 3.98Å; H305-M373 PolarHBondContact CE1-SD 2.82Å |
| 306 | G | 85.2 | Confident | 88.9 | Confident | 28 Ų | 28 | 40 Ų | 40 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | trans | 64.7 | -141.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S302 H337 | S302-G306 PolarHBondContact O-N 3.44Å; S302-G306 VanDerWaalsContact O-N 3.09Å; G306-H337 WeakPolarHBondContact O-CB 3.39Å; G306-H337 PolarHBondContact O-N 2.73Å; G306-H337 VanDerWaalsContact O-N 3.14Å | ||
| 307 | A | 90.3 | Very high | 88.2 | Confident | 69 Ų | 69 | 44.6 Ų | 44.6 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 151.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F335 Q336 | A307-F335 WeakPolarHBondContact CA-O 3.48Å; A307-Q336 HydrophobicContact CB-CB 4.24Å; A307-Q336 HydrophobicContact CB-CG 4.25Å |
| 308 | W | 92.8 | Very high | 87.6 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 147.2 | 177.4 | 172.6 | 84 | 0 | 0 | 0 | 110.4 | R310 A323 F326 F327 V332 S334 F335 | W308-R310 HydrophobicContact CH2-CG 3.77Å; W308-R310 HydrophobicContact CZ2-CG 4.38Å; W308-R310 HydrophobicContact CZ3-CG 4.41Å; W308-A323 HydrophobicContact CB-CB 3.93Å; W308-A323 HydrophobicContact CD2-CB 4.17Å; W308-A323 HydrophobicContact CG-CB 3.61Å; W308-F326 HydrophobicContact CH2-CB 4.27Å; W308-F326 HydrophobicContact CZ3-CB 4.08Å; W308-F327 HydrophobicContact CZ2-CB 3.82Å; W308-F327 HydrophobicContact CZ2-CD2 4.05Å; W308-F327 HydrophobicContact CZ2-CG 4.45Å; W308-V332 HydrophobicContact CZ3-CB 4.32Å; W308-V332 HydrophobicContact CZ3-CG1 4.25Å; W308-S334 CarbonylContact O-C 3.51Å; W308-S334 VanDerWaalsContact O-CA 3.23Å; W308-S334 WeakPolarHBondContact O-CA 3.18Å; W308-F335 HydrophobicContact CB-CD1 4.03Å; W308-F335 HydrophobicContact CB-CE1 3.46Å; W308-F335 VanDerWaalsContact CB-CE1 3.46Å; W308-F335 HydrophobicContact CB-CE2 4.21Å; W308-F335 HydrophobicContact CB-CZ 3.55Å; W308-F335 HydrophobicContact CD2-CD1 4.49Å; W308-F335 HydrophobicContact CD2-CE1 4.13Å; W308-F335 AromaticContact CE3-CD1 3.8Å; W308-F335 HydrophobicContact CE3-CD1 3.8Å; W308-F335 AromaticContact CE3-CE1 3.85Å; W308-F335 HydrophobicContact CE3-CE1 3.85Å; W308-F335 HydrophobicContact CG-CE1 4.04Å; W308-F335 HydrophobicContact CG-CZ 4.47Å; W308-F335 PolarHBondContact N-O 3.3Å; W308-F335 PolarHBondContact O-N 3.38Å |
| 309 | D | 91.7 | Very high | 86.7 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 32% | 0.316 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 163.5 | 171 | 66 | 57.8 | 0 | 0 | 0 | 110.1 | S311 Y312 H333 | D309-S311 PolarHBondContact O-N 2.71Å; D309-S311 WeakPolarHBondContact OD1-CA 3.43Å; D309-S311 VanDerWaalsContact OD1-CB 3.26Å; D309-S311 WeakPolarHBondContact OD1-CB 3.43Å; D309-S311 PolarHBondContact OD1-N 2.91Å; D309-S311 PolarHBondContact OD1-OG 2.82Å; D309-Y312 WeakPolarHBondContact O-CB 3.46Å; D309-Y312 PolarHBondContact O-N 2.67Å; D309-Y312 VanDerWaalsContact O-N 3.1Å; D309-Y312 PolarHBondContact OD1-N 2.94Å; D309-H333 WeakPolarHBondContact CA-O 3.2Å |
| 310 | R | 87.8 | Confident | 86.1 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 25% | 0.253 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.6 | 178.9 | -76.5 | -179.3 | -174 | 179.7 | 6 | 114.1 | W308 Y312 N330 V332 H333 E355 | W308-R310 HydrophobicContact CH2-CG 3.77Å; W308-R310 HydrophobicContact CZ2-CG 4.38Å; W308-R310 HydrophobicContact CZ3-CG 4.41Å; R310-Y312 VanDerWaalsContact C-N 3.28Å; R310-N330 PolarHBondContact NE-OD1 2.91Å; R310-N330 PolarHBondContact NH1-OD1 3Å; R310-N330 PolarHBondContact NH2-O 3.04Å; R310-V332 PolarHBondContact NE-O 3.26Å; R310-V332 PolarHBondContact NH2-O 3.32Å; R310-H333 WeakPolarHBondContact CG-O 3.39Å; R310-H333 PolarHBondContact N-O 3.48Å; R310-H333 PolarHBondContact NH1-CE1 2.9Å; R310-H333 PolarHBondContact NH1-ND1 2.98Å; R310-H333 PolarHBondContact NH1-NE2 3.18Å; R310-E355 IonicContact NH1-OE1 3.72Å |
| 311 | S | 88.5 | Confident | 85.5 | Confident | 106 Ų | 106 | 53.2 Ų | 53.2 | 74% | 0.741 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.6 | 178.5 | 80.7 | 0 | 0 | 0 | 0 | 112.8 | D309 G313 | D309-S311 PolarHBondContact O-N 2.71Å; D309-S311 WeakPolarHBondContact OD1-CA 3.43Å; D309-S311 VanDerWaalsContact OD1-CB 3.26Å; D309-S311 WeakPolarHBondContact OD1-CB 3.43Å; D309-S311 PolarHBondContact OD1-N 2.91Å; D309-S311 PolarHBondContact OD1-OG 2.82Å; S311-G313 PolarHBondContact O-N 3.48Å; S311-G313 VanDerWaalsContact O-N 3.17Å |
| 312 | Y | 84 | Confident | 85.2 | Confident | 130 Ų | 130 | 53.7 Ų | 53.7 | 51% | 0.51 | 33% | 0.327 | S | S | . | . | trans | -63.1 | 115.2 | -177.8 | -161.8 | -99.8 | 0 | 0 | 0 | 112.2 | D309 R310 G314 G315 V318 | D309-Y312 WeakPolarHBondContact O-CB 3.46Å; D309-Y312 PolarHBondContact O-N 2.67Å; D309-Y312 VanDerWaalsContact O-N 3.1Å; D309-Y312 PolarHBondContact OD1-N 2.94Å; R310-Y312 VanDerWaalsContact C-N 3.28Å; Y312-G314 PolarHBondContact O-N 2.88Å; Y312-G315 PolarHBondContact O-N 3.08Å; Y312-V318 HydrophobicContact CD1-CG2 3.69Å; Y312-V318 HydrophobicContact CE1-CG2 3.99Å | ||
| 313 | G | 82.8 | Confident | 84.9 | Confident | 85 Ų | 85 | 53 Ų | 53 | 88% | 0.876 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -6.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S311 G315 | S311-G313 PolarHBondContact O-N 3.48Å; S311-G313 VanDerWaalsContact O-N 3.17Å; G313-G315 VanDerWaalsContact C-N 3.29Å; G313-G315 PolarHBondContact O-N 2.98Å |
| 314 | G | 78.7 | Confident | 84.6 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -20.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y312 F316 N317 | Y312-G314 PolarHBondContact O-N 2.88Å; G314-F316 PolarHBondContact O-N 2.78Å; G314-N317 PolarHBondContact O-N 3.04Å |
| 315 | G | 77.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | 50.8 | -129.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y312 G313 N317 V318 | Y312-G315 PolarHBondContact O-N 3.08Å; G313-G315 VanDerWaalsContact C-N 3.29Å; G313-G315 PolarHBondContact O-N 2.98Å; G315-N317 VanDerWaalsContact C-N 3.25Å; G315-N317 PolarHBondContact O-N 2.93Å; G315-V318 WeakPolarHBondContact O-CG2 3.33Å |
| 316 | F | 76.9 | Confident | 84.7 | Confident | 124 Ų | 124 | 55.3 Ų | 55.3 | 54% | 0.544 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -73.1 | -13.3 | 178.4 | 67.5 | -91.3 | 0 | 0 | 0 | 114.2 | G314 V318 S324 F327 | G314-F316 PolarHBondContact O-N 2.78Å; F316-V318 VanDerWaalsContact C-N 3.28Å; F316-V318 PolarHBondContact O-N 3.35Å; F316-S324 PolarHBondContact O-OG 3.36Å; F316-F327 HydrophobicContact CB-CD1 3.96Å; F316-F327 HydrophobicContact CB-CE1 4.23Å |
| 317 | N | 79.5 | Confident | 84.8 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 66% | 0.658 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -88.9 | 11 | -178.1 | -62.9 | -60.8 | 0 | 0 | 0 | 113.2 | G314 G315 | G314-N317 PolarHBondContact O-N 3.04Å; G315-N317 VanDerWaalsContact C-N 3.25Å; G315-N317 PolarHBondContact O-N 2.93Å |
| 318 | V | 82.4 | Confident | 84.6 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 17% | 0.17 | 34% | 0.344 | C | S | . | . | trans | -62.8 | 139.2 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 110 | Y312 G315 F316 S320 A323 | Y312-V318 HydrophobicContact CD1-CG2 3.69Å; Y312-V318 HydrophobicContact CE1-CG2 3.99Å; G315-V318 WeakPolarHBondContact O-CG2 3.33Å; F316-V318 VanDerWaalsContact C-N 3.28Å; F316-V318 PolarHBondContact O-N 3.35Å; V318-S320 PolarHBondContact O-N 3.34Å; V318-A323 HydrophobicContact CB-CB 4.13Å; V318-A323 HydrophobicContact CG1-CB 3.62Å | ||
| 319 | A | 78 | Confident | 84.3 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -68.3 | -22.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R384 | A319-R384 PolarHBondContact O-NH1 3.47Å; A319-R384 PolarHBondContact O-NH2 3.14Å |
| 320 | S | 82.1 | Confident | 84 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 8% | 0.077 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -78.7 | 121.5 | 172.6 | 174.5 | 0 | 0 | 0 | 0 | 109.7 | V318 L322 A323 S324 | V318-S320 PolarHBondContact O-N 3.34Å; S320-L322 PolarHBondContact O-N 3.39Å; S320-A323 PolarHBondContact O-N 3.42Å; S320-A323 PolarHBondContact OG-N 3.46Å; S320-S324 PolarHBondContact O-N 2.92Å |
| 321 | K | 83 | Confident | 84 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 56% | 0.557 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.9 | -37.7 | 178.2 | -68.4 | 171.6 | -179.8 | 149.4 | 0 | 111.4 | S324 K325 E381 | K321-S324 PolarHBondContact O-N 2.74Å; K321-K325 PolarHBondContact O-N 2.79Å; K321-E381 IonicContact NZ-OE1 2.8Å; K321-E381 PolarHBondContact NZ-OE1 3.44Å |
| 322 | L | 87.3 | Confident | 84.2 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71 | -41.2 | -178.2 | -171.3 | 134.5 | 0 | 0 | 0 | 111.5 | S320 K325 F326 F335 F366 E369 | S320-L322 PolarHBondContact O-N 3.39Å; L322-K325 PolarHBondContact O-N 3.07Å; L322-F326 HydrophobicContact CD1-CE2 4.44Å; L322-F326 HydrophobicContact CD1-CZ 4.28Å; L322-F326 HydrophobicContact CD2-CD2 3.68Å; L322-F326 HydrophobicContact CD2-CE2 3.17Å; L322-F326 HydrophobicContact CD2-CZ 3.83Å; L322-F326 HydrophobicContact CG-CD2 4.23Å; L322-F326 HydrophobicContact CG-CE2 3.71Å; L322-F326 HydrophobicContact CG-CZ 3.89Å; L322-F326 WeakPolarHBondContact O-CG 3.31Å; L322-F326 PolarHBondContact O-N 2.95Å; L322-F335 HydrophobicContact CD2-CD1 4.1Å; L322-F335 HydrophobicContact CD2-CE1 3.59Å; L322-F335 HydrophobicContact CD2-CE2 4.24Å; L322-F335 HydrophobicContact CD2-CZ 3.69Å; L322-F366 HydrophobicContact CD1-CD1 3.7Å; L322-F366 HydrophobicContact CD1-CE1 3.93Å; L322-F366 HydrophobicContact CD1-CG 4.13Å; L322-F366 HydrophobicContact CD2-CD1 3.88Å; L322-F366 HydrophobicContact CD2-CE1 3.19Å; L322-F366 HydrophobicContact CD2-CE2 4.16Å; L322-F366 HydrophobicContact CD2-CZ 3.37Å; L322-F366 HydrophobicContact CG-CD1 4.46Å; L322-F366 HydrophobicContact CG-CE1 4.21Å; L322-E369 HydrophobicContact CD1-CB 3.97Å; L322-E369 HydrophobicContact CD1-CG 4.26Å |
| 323 | A | 87.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W308 V318 S320 K325 F326 F327 F335 | W308-A323 HydrophobicContact CB-CB 3.93Å; W308-A323 HydrophobicContact CD2-CB 4.17Å; W308-A323 HydrophobicContact CG-CB 3.61Å; V318-A323 HydrophobicContact CB-CB 4.13Å; V318-A323 HydrophobicContact CG1-CB 3.62Å; S320-A323 PolarHBondContact O-N 3.42Å; S320-A323 PolarHBondContact OG-N 3.46Å; A323-K325 VanDerWaalsContact C-N 3.32Å; A323-K325 PolarHBondContact O-N 3.43Å; A323-F326 PolarHBondContact O-N 3.43Å; A323-F327 WeakPolarHBondContact O-CB 3.29Å; A323-F327 PolarHBondContact O-N 2.87Å; A323-F335 HydrophobicContact CB-CE1 4.1Å; A323-F335 HydrophobicContact CB-CZ 4.06Å |
| 324 | S | 86.6 | Confident | 85.2 | Confident | 30 Ų | 30 | 53 Ų | 53 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | F316 S320 K321 M328 | F316-S324 PolarHBondContact O-OG 3.36Å; S320-S324 PolarHBondContact O-N 2.92Å; K321-S324 PolarHBondContact O-N 2.74Å; S324-M328 WeakPolarHBondContact O-CG 3.45Å; S324-M328 PolarHBondContact O-N 3.29Å |
| 325 | K | 87.5 | Confident | 86 | Confident | 59 Ų | 59 | 51.9 Ų | 51.9 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.9 | -51.4 | 176 | -178.3 | 171.9 | 177.3 | 172.3 | 0 | 112 | K321 L322 A323 F327 M328 E329 E365 | K321-K325 PolarHBondContact O-N 2.79Å; L322-K325 PolarHBondContact O-N 3.07Å; A323-K325 VanDerWaalsContact C-N 3.32Å; A323-K325 PolarHBondContact O-N 3.43Å; K325-F327 VanDerWaalsContact C-N 3.31Å; K325-F327 PolarHBondContact O-N 3.12Å; K325-M328 WeakPolarHBondContact O-CB 3.03Å; K325-M328 PolarHBondContact O-N 3.41Å; K325-E329 WeakPolarHBondContact CE-OE1 3.41Å; K325-E329 WeakPolarHBondContact CG-OE1 3.37Å; K325-E329 IonicContact NZ-OE1 3.78Å; K325-E329 PolarHBondContact O-N 3.01Å; K325-E365 HydrophobicContact CD-CG 4.41Å; K325-E365 IonicContact NZ-OE1 2.92Å; K325-E365 PolarHBondContact NZ-OE1 2.82Å; K325-E365 IonicContact NZ-OE2 2.81Å; K325-E365 PolarHBondContact NZ-OE2 2.91Å |
| 326 | F | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -32 | -179.6 | -67.3 | -21.2 | 0 | 0 | 0 | 113.8 | W308 L322 A323 M328 E329 N330 V332 F335 E365 F366 | W308-F326 HydrophobicContact CH2-CB 4.27Å; W308-F326 HydrophobicContact CZ3-CB 4.08Å; L322-F326 HydrophobicContact CD1-CE2 4.44Å; L322-F326 HydrophobicContact CD1-CZ 4.28Å; L322-F326 HydrophobicContact CD2-CD2 3.68Å; L322-F326 HydrophobicContact CD2-CE2 3.17Å; L322-F326 HydrophobicContact CD2-CZ 3.83Å; L322-F326 HydrophobicContact CG-CD2 4.23Å; L322-F326 HydrophobicContact CG-CE2 3.71Å; L322-F326 HydrophobicContact CG-CZ 3.89Å; L322-F326 WeakPolarHBondContact O-CG 3.31Å; L322-F326 PolarHBondContact O-N 2.95Å; A323-F326 PolarHBondContact O-N 3.43Å; F326-M328 VanDerWaalsContact C-N 3.29Å; F326-M328 PolarHBondContact O-N 3.47Å; F326-E329 PolarHBondContact O-N 3.48Å; F326-N330 PolarHBondContact O-N 3.41Å; F326-V332 HydrophobicContact CB-CB 4.06Å; F326-V332 HydrophobicContact CB-CG2 4.29Å; F326-V332 HydrophobicContact CD1-CG2 3.88Å; F326-V332 HydrophobicContact CD2-CB 3.87Å; F326-V332 HydrophobicContact CD2-CG1 4.13Å; F326-V332 HydrophobicContact CD2-CG2 3.64Å; F326-V332 HydrophobicContact CE1-CG2 4.05Å; F326-V332 HydrophobicContact CE2-CB 4.39Å; F326-V332 HydrophobicContact CE2-CG1 4.48Å; F326-V332 HydrophobicContact CE2-CG2 3.75Å; F326-V332 HydrophobicContact CG-CB 3.96Å; F326-V332 HydrophobicContact CG-CG2 3.69Å; F326-V332 HydrophobicContact CZ-CG2 3.99Å; F326-F335 AromaticContact CD2-CD1 3.87Å; F326-F335 HydrophobicContact CD2-CD1 3.87Å; F326-F335 AromaticContact CD2-CE1 3.94Å; F326-F335 HydrophobicContact CD2-CE1 3.94Å; F326-F335 HydrophobicContact CE2-CD1 4.14Å; F326-F335 HydrophobicContact CE2-CE1 4.37Å; F326-E365 HydrophobicContact CE1-CB 4.17Å; F326-E365 HydrophobicContact CZ-CB 4.28Å; F326-F366 HydrophobicContact CE2-CD2 4.18Å; F326-F366 HydrophobicContact CE2-CE1 4.5Å; F326-F366 AromaticContact CE2-CE2 3.45Å; F326-F366 HydrophobicContact CE2-CE2 3.45Å; F326-F366 VanDerWaalsContact CE2-CE2 3.45Å; F326-F366 AromaticContact CE2-CZ 3.64Å; F326-F366 HydrophobicContact CE2-CZ 3.64Å; F326-F366 HydrophobicContact CZ-CD2 4.09Å; F326-F366 AromaticContact CZ-CE2 3.81Å; F326-F366 HydrophobicContact CZ-CE2 3.81Å; F326-F366 HydrophobicContact CZ-CZ 4.33Å |
| 327 | F | 86 | Confident | 87.7 | Confident | 82 Ų | 82 | 50.9 Ų | 50.9 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 171.2 | -178.9 | -92.1 | 0 | 0 | 0 | 111.8 | W308 F316 A323 K325 | W308-F327 HydrophobicContact CZ2-CB 3.82Å; W308-F327 HydrophobicContact CZ2-CD2 4.05Å; W308-F327 HydrophobicContact CZ2-CG 4.45Å; F316-F327 HydrophobicContact CB-CD1 3.96Å; F316-F327 HydrophobicContact CB-CE1 4.23Å; A323-F327 WeakPolarHBondContact O-CB 3.29Å; A323-F327 PolarHBondContact O-N 2.87Å; K325-F327 VanDerWaalsContact C-N 3.31Å; K325-F327 PolarHBondContact O-N 3.12Å |
| 328 | M | 86.5 | Confident | 88.4 | Confident | 146 Ų | 146 | 45.8 Ų | 45.8 | 72% | 0.719 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -74.3 | -36.9 | 179 | -68.7 | -179.9 | 63.8 | 0 | 0 | 113.1 | S324 K325 F326 | S324-M328 WeakPolarHBondContact O-CG 3.45Å; S324-M328 PolarHBondContact O-N 3.29Å; K325-M328 WeakPolarHBondContact O-CB 3.03Å; K325-M328 PolarHBondContact O-N 3.41Å; F326-M328 VanDerWaalsContact C-N 3.29Å; F326-M328 PolarHBondContact O-N 3.47Å |
| 329 | E | 86.7 | Confident | 89 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 35% | 0.346 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -81.4 | -22 | -177.2 | -72.8 | 170.6 | -177.9 | 0 | 0 | 113.5 | K325 F326 S331 | K325-E329 WeakPolarHBondContact CE-OE1 3.41Å; K325-E329 WeakPolarHBondContact CG-OE1 3.37Å; K325-E329 IonicContact NZ-OE1 3.78Å; K325-E329 PolarHBondContact O-N 3.01Å; F326-E329 PolarHBondContact O-N 3.48Å; E329-S331 PolarHBondContact O-N 2.98Å |
| 330 | N | 86.4 | Confident | 89.9 | Confident | 98 Ų | 98 | 45.7 Ų | 45.7 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 31.5 | -176.1 | -161.2 | 42.5 | 0 | 0 | 0 | 113.2 | R310 F326 | R310-N330 PolarHBondContact NE-OD1 2.91Å; R310-N330 PolarHBondContact NH1-OD1 3Å; R310-N330 PolarHBondContact NH2-O 3.04Å; F326-N330 PolarHBondContact O-N 3.41Å |
| 331 | S | 86.6 | Confident | 90.5 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | trans | -92.6 | -35.7 | -179.1 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | E329 A354 E355 | E329-S331 PolarHBondContact O-N 2.98Å; S331-A354 WeakPolarHBondContact O-CA 3.2Å; S331-A354 WeakPolarHBondContact O-CB 3.39Å; S331-E355 PolarHBondContact O-N 3.03Å | ||
| 332 | V | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.1 | -179.6 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | W308 R310 F326 S334 F335 T353 A354 S362 | W308-V332 HydrophobicContact CZ3-CB 4.32Å; W308-V332 HydrophobicContact CZ3-CG1 4.25Å; R310-V332 PolarHBondContact NE-O 3.26Å; R310-V332 PolarHBondContact NH2-O 3.32Å; F326-V332 HydrophobicContact CB-CB 4.06Å; F326-V332 HydrophobicContact CB-CG2 4.29Å; F326-V332 HydrophobicContact CD1-CG2 3.88Å; F326-V332 HydrophobicContact CD2-CB 3.87Å; F326-V332 HydrophobicContact CD2-CG1 4.13Å; F326-V332 HydrophobicContact CD2-CG2 3.64Å; F326-V332 HydrophobicContact CE1-CG2 4.05Å; F326-V332 HydrophobicContact CE2-CB 4.39Å; F326-V332 HydrophobicContact CE2-CG1 4.48Å; F326-V332 HydrophobicContact CE2-CG2 3.75Å; F326-V332 HydrophobicContact CG-CB 3.96Å; F326-V332 HydrophobicContact CG-CG2 3.69Å; F326-V332 HydrophobicContact CZ-CG2 3.99Å; V332-S334 VanDerWaalsContact CG1-O 3.25Å; V332-S334 WeakPolarHBondContact CG1-O 3.24Å; V332-F335 HydrophobicContact CG1-CD1 4.5Å; V332-T353 WeakPolarHBondContact CG1-O 3.18Å; V332-A354 HydrophobicContact CG2-CB 4.34Å; V332-S362 VanDerWaalsContact CG2-CB 3.47Å; V332-S362 WeakPolarHBondContact CG2-OG 3.44Å |
| 333 | H | 93.8 | Very high | 91.4 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -46.2 | 173.9 | -77.8 | -94.1 | 0 | 0 | 0 | 112 | D309 R310 T353 E355 | D309-H333 WeakPolarHBondContact CA-O 3.2Å; R310-H333 WeakPolarHBondContact CG-O 3.39Å; R310-H333 PolarHBondContact N-O 3.48Å; R310-H333 PolarHBondContact NH1-CE1 2.9Å; R310-H333 PolarHBondContact NH1-ND1 2.98Å; R310-H333 PolarHBondContact NH1-NE2 3.18Å; H333-T353 HydrophobicContact CB-CG2 4.26Å; H333-T353 PolarHBondContact N-O 3.04Å; H333-E355 IonicContact CD2-OE1 2.64Å; H333-E355 IonicContact CE1-OE1 3.43Å; H333-E355 PolarHBondContact CE1-OE1 3.41Å; H333-E355 IonicContact NE2-OE1 3.12Å; H333-E355 PolarHBondContact NE2-OE1 3.08Å |
| 334 | S | 94.8 | Very high | 91.6 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 157.4 | 176.1 | 59 | 0 | 0 | 0 | 0 | 110.7 | W308 V332 L352 T353 | W308-S334 CarbonylContact O-C 3.51Å; W308-S334 VanDerWaalsContact O-CA 3.23Å; W308-S334 WeakPolarHBondContact O-CA 3.18Å; V332-S334 VanDerWaalsContact CG1-O 3.25Å; V332-S334 WeakPolarHBondContact CG1-O 3.24Å; S334-L352 WeakPolarHBondContact O-CA 3.2Å; S334-T353 PolarHBondContact N-O 3.48Å; S334-T353 PolarHBondContact O-N 3.09Å |
| 335 | F | 94.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.2 | 164.4 | 70.2 | -101.1 | 0 | 0 | 0 | 110.9 | A307 W308 L322 A323 F326 V332 V350 Y351 L352 F366 | A307-F335 WeakPolarHBondContact CA-O 3.48Å; W308-F335 HydrophobicContact CB-CD1 4.03Å; W308-F335 HydrophobicContact CB-CE1 3.46Å; W308-F335 VanDerWaalsContact CB-CE1 3.46Å; W308-F335 HydrophobicContact CB-CE2 4.21Å; W308-F335 HydrophobicContact CB-CZ 3.55Å; W308-F335 HydrophobicContact CD2-CD1 4.49Å; W308-F335 HydrophobicContact CD2-CE1 4.13Å; W308-F335 AromaticContact CE3-CD1 3.8Å; W308-F335 HydrophobicContact CE3-CD1 3.8Å; W308-F335 AromaticContact CE3-CE1 3.85Å; W308-F335 HydrophobicContact CE3-CE1 3.85Å; W308-F335 HydrophobicContact CG-CE1 4.04Å; W308-F335 HydrophobicContact CG-CZ 4.47Å; W308-F335 PolarHBondContact N-O 3.3Å; W308-F335 PolarHBondContact O-N 3.38Å; L322-F335 HydrophobicContact CD2-CD1 4.1Å; L322-F335 HydrophobicContact CD2-CE1 3.59Å; L322-F335 HydrophobicContact CD2-CE2 4.24Å; L322-F335 HydrophobicContact CD2-CZ 3.69Å; A323-F335 HydrophobicContact CB-CE1 4.1Å; A323-F335 HydrophobicContact CB-CZ 4.06Å; F326-F335 AromaticContact CD2-CD1 3.87Å; F326-F335 HydrophobicContact CD2-CD1 3.87Å; F326-F335 AromaticContact CD2-CE1 3.94Å; F326-F335 HydrophobicContact CD2-CE1 3.94Å; F326-F335 HydrophobicContact CE2-CD1 4.14Å; F326-F335 HydrophobicContact CE2-CE1 4.37Å; V332-F335 HydrophobicContact CG1-CD1 4.5Å; F335-V350 HydrophobicContact CB-CG2 4.19Å; F335-V350 HydrophobicContact CD2-CG2 4.4Å; F335-Y351 CarbonylContact C-O 3.48Å; F335-Y351 WeakPolarHBondContact CA-O 3.33Å; F335-L352 HydrophobicContact CB-CB 3.98Å; F335-F366 HydrophobicContact CB-CE2 4.21Å; F335-F366 HydrophobicContact CB-CZ 3.55Å; F335-F366 AromaticContact CD1-CZ 3.87Å; F335-F366 HydrophobicContact CD1-CZ 3.87Å; F335-F366 HydrophobicContact CD2-CE1 4.04Å; F335-F366 AromaticContact CD2-CZ 3.8Å; F335-F366 HydrophobicContact CD2-CZ 3.8Å; F335-F366 HydrophobicContact CE1-CZ 4.47Å; F335-F366 HydrophobicContact CE2-CE1 4.4Å; F335-F366 HydrophobicContact CE2-CZ 4.44Å; F335-F366 HydrophobicContact CG-CE1 4.2Å; F335-F366 HydrophobicContact CG-CE2 4.49Å; F335-F366 AromaticContact CG-CZ 3.49Å; F335-F366 HydrophobicContact CG-CZ 3.49Å; F335-F366 VanDerWaalsContact CG-CZ 3.49Å |
| 336 | Q | 94.7 | Very high | 92.6 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 45% | 0.453 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 125 | 175.6 | 175.7 | 173.8 | 0.4 | 0 | 0 | 109.3 | A307 Y351 | A307-Q336 HydrophobicContact CB-CB 4.24Å; A307-Q336 HydrophobicContact CB-CG 4.25Å; Q336-Y351 PolarHBondContact N-O 3.4Å; Q336-Y351 PolarHBondContact O-N 2.83Å |
| 337 | H | 94.2 | Very high | 93 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 9% | 0.088 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 133.4 | 164.1 | -160.4 | -60.4 | 0 | 0 | 0 | 109.9 | S302 G306 W348 G349 | S302-H337 VanDerWaalsContact CB-ND1 3.25Å; S302-H337 WeakPolarHBondContact CB-ND1 3.42Å; S302-H337 PolarHBondContact OG-CE1 3.06Å; S302-H337 PolarHBondContact OG-ND1 3.15Å; G306-H337 WeakPolarHBondContact O-CB 3.39Å; G306-H337 PolarHBondContact O-N 2.73Å; G306-H337 VanDerWaalsContact O-N 3.14Å; H337-W348 AromaticContact CD2-CZ2 3.99Å; H337-W348 AromaticContact CE1-CD1 3.81Å; H337-W348 AromaticContact CE1-CD2 3.38Å; H337-W348 AromaticContact CE1-CE2 3.12Å; H337-W348 AromaticContact CE1-CE3 3.88Å; H337-W348 AromaticContact CE1-CG 3.87Å; H337-W348 AromaticContact CE1-CH2 3.91Å; H337-W348 AromaticContact CE1-CZ2 3.45Å; H337-W348 VanDerWaalsContact CE1-CZ2 3.45Å; H337-W348 WeakPolarHBondContact CE1-CZ2 3.35Å; H337-W348 AromaticContact CE1-NE1 3.4Å; H337-W348 PolarHBondContact CE1-NE1 3.44Å; H337-W348 AromaticContact NE2-CD2 3.54Å; H337-W348 AromaticContact NE2-CE2 3.16Å; H337-W348 AromaticContact NE2-CE3 3.65Å; H337-W348 AromaticContact NE2-CH2 3.05Å; H337-W348 WeakPolarHBondContact NE2-CH2 3.26Å; H337-W348 AromaticContact NE2-CZ2 2.94Å; H337-W348 WeakPolarHBondContact NE2-CZ2 3.28Å; H337-W348 AromaticContact NE2-CZ3 3.43Å; H337-W348 WeakPolarHBondContact NE2-CZ3 3.33Å; H337-W348 AromaticContact NE2-NE1 3.87Å; H337-G349 WeakPolarHBondContact CA-O 3.5Å; H337-G349 PolarHBondContact CE1-O 3.03Å; H337-G349 PolarHBondContact ND1-O 3.31Å; H337-G349 VanDerWaalsContact ND1-O 3.16Å; H337-G349 PolarHBondContact NE2-O 3.18Å |
| 338 | F | 95.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.2 | 173.1 | 63.2 | -97.6 | 0 | 0 | 0 | 111.2 | F177 L180 A282 A284 L347 G349 | F177-F338 HydrophobicContact CE1-CB 4.41Å; F177-F338 AromaticContact CE1-CD1 3.62Å; F177-F338 HydrophobicContact CE1-CD1 3.62Å; F177-F338 AromaticContact CE1-CD2 3.84Å; F177-F338 HydrophobicContact CE1-CD2 3.84Å; F177-F338 AromaticContact CE1-CE1 3.64Å; F177-F338 HydrophobicContact CE1-CE1 3.64Å; F177-F338 AromaticContact CE1-CE2 3.91Å; F177-F338 HydrophobicContact CE1-CE2 3.91Å; F177-F338 AromaticContact CE1-CG 3.7Å; F177-F338 HydrophobicContact CE1-CG 3.7Å; F177-F338 AromaticContact CE1-CZ 3.81Å; F177-F338 HydrophobicContact CE1-CZ 3.81Å; F177-F338 HydrophobicContact CZ-CB 4.22Å; F177-F338 AromaticContact CZ-CD1 3.53Å; F177-F338 HydrophobicContact CZ-CD1 3.53Å; F177-F338 HydrophobicContact CZ-CD2 4.43Å; F177-F338 AromaticContact CZ-CE1 3.88Å; F177-F338 HydrophobicContact CZ-CE1 3.88Å; F177-F338 AromaticContact CZ-CG 3.82Å; F177-F338 HydrophobicContact CZ-CG 3.82Å; F177-F338 HydrophobicContact CZ-CZ 4.49Å; L180-F338 HydrophobicContact CD2-CE2 3.98Å; L180-F338 HydrophobicContact CD2-CZ 3.57Å; A282-F338 HydrophobicContact CB-CE1 4.17Å; A282-F338 HydrophobicContact CB-CZ 4.4Å; A284-F338 HydrophobicContact CB-CE2 3.96Å; A284-F338 HydrophobicContact CB-CZ 3.9Å; F338-L347 HydrophobicContact CE2-CB 4.1Å; F338-G349 PolarHBondContact N-O 3.4Å; F338-G349 PolarHBondContact O-N 2.81Å; F338-G349 VanDerWaalsContact O-N 3.08Å |
| 339 | F | 95.3 | Very high | 94 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 96.1 | 172.4 | 179.4 | -137.1 | 0 | 0 | 0 | 108.8 | T295 L298 M299 C341 S346 L347 W348 | T295-F339 HydrophobicContact CG2-CE1 3.61Å; T295-F339 HydrophobicContact CG2-CZ 3.8Å; L298-F339 HydrophobicContact CB-CE1 4.39Å; L298-F339 HydrophobicContact CB-CE2 4.4Å; L298-F339 HydrophobicContact CB-CZ 4.15Å; L298-F339 HydrophobicContact CD1-CE2 4.16Å; L298-F339 HydrophobicContact CD1-CZ 4.3Å; M299-F339 HydrophobicContact CE-CD1 4.24Å; M299-F339 HydrophobicContact CE-CE1 4.14Å; M299-F339 HydrophobicContact CG-CD1 3.68Å; M299-F339 HydrophobicContact CG-CE1 3.81Å; F339-C341 HydrophobicContact CE1-CB 4.42Å; F339-C341 HydrophobicContact CZ-CB 4.2Å; F339-S346 VanDerWaalsContact CE2-OG 3.31Å; F339-S346 WeakPolarHBondContact CE2-OG 3.43Å; F339-L347 CarbonylContact C-O 3.59Å; F339-L347 WeakPolarHBondContact CA-O 3.5Å; F339-W348 HydrophobicContact CD2-CB 3.93Å; F339-W348 AromaticContact CD2-CD1 3.62Å; F339-W348 HydrophobicContact CD2-CG 4.18Å; F339-W348 HydrophobicContact CE2-CB 4.35Å; F339-W348 AromaticContact CG-CD1 3.97Å |
| 340 | T | 96 | Very high | 94.5 | Very high | 44 Ų | 44 | 27.3 Ų | 27.3 | 27% | 0.27 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 110.3 | -178.5 | -54.5 | 0 | 0 | 0 | 0 | 108.4 | Y342 S346 L347 | T340-Y342 HydrophobicContact CG2-CE1 4.35Å; T340-Y342 HydrophobicContact CG2-CE2 4.06Å; T340-Y342 WeakPolarHBondContact CG2-OH 3.22Å; T340-S346 CarbonylContact O-C 3.5Å; T340-S346 WeakPolarHBondContact O-CA 3.43Å; T340-S346 WeakPolarHBondContact O-CB 2.96Å; T340-L347 PolarHBondContact N-O 2.6Å; T340-L347 PolarHBondContact O-N 3.34Å |
| 341 | C | 95.7 | Very high | 95 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 8% | 0.081 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.1 | -174 | -167.3 | 0 | 0 | 0 | 0 | 111.7 | G289 W290 F339 | G289-C341 VanDerWaalsContact C-SG 3.58Å; W290-C341 HydrophobicContact CD2-CB 3.85Å; W290-C341 VanDerWaalsContact CD2-SG 3.56Å; W290-C341 HydrophobicContact CE3-CB 4.19Å; W290-C341 HydrophobicContact CG-CB 4.42Å; W290-C341 HydrophobicContact CH2-CB 4.01Å; W290-C341 HydrophobicContact CZ2-CB 3.64Å; W290-C341 HydrophobicContact CZ3-CB 4.27Å; W290-C341 PolarHBondContact N-SG 3.27Å; W290-C341 PolarHBondContact NE1-O 3.28Å; F339-C341 HydrophobicContact CE1-CB 4.42Å; F339-C341 HydrophobicContact CZ-CB 4.2Å |
| 342 | Y | 95.7 | Very high | 95.5 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 4% | 0.043 | 11% | 0.114 | C | C | . | . | trans | -114.3 | 178.4 | 176.1 | -62.4 | -61.5 | 0 | 0 | 0 | 110.1 | R119 E120 H181 Y185 L190 G289 W290 T340 D344 T345 | R119-Y342 HydrophobicContact CB-CE1 3.95Å; R119-Y342 WeakPolarHBondContact CD-OH 3.46Å; E120-Y342 HydrophobicContact CG-CD1 3.83Å; E120-Y342 HydrophobicContact CG-CE1 4.47Å; E120-Y342 VanDerWaalsContact OE2-CA 3.27Å; E120-Y342 WeakPolarHBondContact OE2-CA 3.22Å; E120-Y342 WeakPolarHBondContact OE2-CB 3.4Å; H181-Y342 PolarHBondContact CD2-OH 3.44Å; H181-Y342 AromaticContact NE2-CE2 3.78Å; H181-Y342 AromaticContact NE2-CZ 3.73Å; H181-Y342 PolarHBondContact NE2-OH 2.87Å; Y185-Y342 HydrophobicContact CE2-CE2 4.34Å; L190-Y342 HydrophobicContact CD1-CD2 3.7Å; L190-Y342 HydrophobicContact CD1-CE2 4.2Å; L190-Y342 HydrophobicContact CD1-CG 4.03Å; L190-Y342 HydrophobicContact CD2-CD1 3.98Å; L190-Y342 HydrophobicContact CD2-CD2 4.06Å; L190-Y342 HydrophobicContact CD2-CE1 3.98Å; L190-Y342 HydrophobicContact CD2-CE2 4.03Å; L190-Y342 HydrophobicContact CD2-CG 4.03Å; G289-Y342 CarbonylContact C-O 3.47Å; G289-Y342 WeakPolarHBondContact CA-O 3.33Å; W290-Y342 VanDerWaalsContact CD1-C 3.47Å; W290-Y342 PolarHBondContact N-O 3.46Å; T340-Y342 HydrophobicContact CG2-CE1 4.35Å; T340-Y342 HydrophobicContact CG2-CE2 4.06Å; T340-Y342 WeakPolarHBondContact CG2-OH 3.22Å; Y342-D344 VanDerWaalsContact C-N 3.32Å; Y342-D344 PolarHBondContact O-N 3.34Å; Y342-T345 CarbonylContact C-O 3.58Å; Y342-T345 WeakPolarHBondContact CA-O 3.49Å; Y342-T345 VanDerWaalsContact CB-O 3.31Å; Y342-T345 WeakPolarHBondContact CB-O 3.29Å; Y342-T345 HydrophobicContact CD2-CG2 4.21Å; Y342-T345 PolarHBondContact N-O 3.1Å | ||
| 343 | H | 92.2 | Very high | 95.7 | Very high | 80 Ų | 80 | 23.4 Ų | 23.4 | 37% | 0.37 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -53.4 | -46.9 | -179.1 | -171.6 | 81 | 0 | 0 | 0 | 113.5 | E120 L259 G289 | E120-H343 PolarHBondContact OE1-N 3.45Å; E120-H343 PolarHBondContact OE2-N 3.05Å; L259-H343 HydrophobicContact CD1-CB 3.76Å; G289-H343 WeakPolarHBondContact CA-O 3.28Å |
| 344 | D | 92.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 20.7 Ų | 20.7 | 26% | 0.262 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -118.5 | -13.7 | -170.5 | 63.3 | -32 | 0 | 0 | 0 | 114.9 | R73 R261 C262 Y342 | R73-D344 IonicContact CZ-OD1 3.6Å; R73-D344 VanDerWaalsContact CZ-OD1 3.25Å; R73-D344 IonicContact NH1-OD1 3.69Å; R73-D344 PolarHBondContact NH1-OD1 3.21Å; R73-D344 IonicContact NH2-OD1 2.92Å; R73-D344 PolarHBondContact NH2-OD1 2.87Å; R73-D344 IonicContact NH2-OD2 3.48Å; R73-D344 PolarHBondContact NH2-OD2 3.03Å; R261-D344 VanDerWaalsContact CA-OD2 3.23Å; R261-D344 WeakPolarHBondContact CA-OD2 3.41Å; C262-D344 PolarHBondContact N-OD2 3.11Å; Y342-D344 VanDerWaalsContact C-N 3.32Å; Y342-D344 PolarHBondContact O-N 3.34Å |
| 345 | T | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 171.1 | -175.8 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | Y185 L190 Y342 | Y185-T345 HydrophobicContact CE1-CG2 3.67Å; Y185-T345 VanDerWaalsContact OH-CG2 3.26Å; Y185-T345 WeakPolarHBondContact OH-CG2 3.47Å; Y185-T345 PolarHBondContact OH-OG1 3.33Å; L190-T345 HydrophobicContact CD1-CG2 3.59Å; Y342-T345 CarbonylContact C-O 3.58Å; Y342-T345 WeakPolarHBondContact CA-O 3.49Å; Y342-T345 VanDerWaalsContact CB-O 3.31Å; Y342-T345 WeakPolarHBondContact CB-O 3.29Å; Y342-T345 HydrophobicContact CD2-CG2 4.21Å; Y342-T345 PolarHBondContact N-O 3.1Å |
| 346 | S | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.8 | 171.1 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | Y185 G287 P288 F339 T340 | Y185-S346 PolarHBondContact OH-O 3.13Å; G287-S346 WeakPolarHBondContact CA-OG 3.23Å; G287-S346 PolarHBondContact N-O 3.15Å; G287-S346 PolarHBondContact O-N 2.68Å; G287-S346 VanDerWaalsContact O-N 3.14Å; G287-S346 PolarHBondContact O-OG 3.03Å; P288-S346 WeakPolarHBondContact O-CB 3.46Å; P288-S346 PolarHBondContact O-OG 3.35Å; F339-S346 VanDerWaalsContact CE2-OG 3.31Å; F339-S346 WeakPolarHBondContact CE2-OG 3.43Å; T340-S346 CarbonylContact O-C 3.5Å; T340-S346 WeakPolarHBondContact O-CA 3.43Å; T340-S346 WeakPolarHBondContact O-CB 2.96Å |
| 347 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.1 | 167.1 | -62.6 | -179.5 | 0 | 0 | 0 | 108.7 | L180 H181 A184 Y185 F264 A284 F338 F339 T340 | L180-L347 HydrophobicContact CD2-CD1 4.07Å; L180-L347 HydrophobicContact CG-CD1 4.21Å; H181-L347 WeakPolarHBondContact NE2-CD1 3.17Å; A184-L347 HydrophobicContact CB-CD2 3.94Å; Y185-L347 HydrophobicContact CE2-CD1 4.1Å; Y185-L347 HydrophobicContact CE2-CD2 3.71Å; Y185-L347 HydrophobicContact CE2-CG 3.81Å; F264-L347 HydrophobicContact CD2-CD2 4.05Å; F264-L347 HydrophobicContact CE2-CD2 3.63Å; A284-L347 HydrophobicContact CB-CB 4.13Å; A284-L347 HydrophobicContact CB-CD2 4.19Å; F338-L347 HydrophobicContact CE2-CB 4.1Å; F339-L347 CarbonylContact C-O 3.59Å; F339-L347 WeakPolarHBondContact CA-O 3.5Å; T340-L347 PolarHBondContact N-O 2.6Å; T340-L347 PolarHBondContact O-N 3.34Å |
| 348 | W | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.1 | 173.1 | -172.9 | 99.1 | 0 | 0 | 0 | 108.6 | A284 F285 L298 A301 S302 H337 F339 F370 M373 F443 | A284-W348 CarbonylContact C-O 3.54Å; A284-W348 VanDerWaalsContact CA-O 3.28Å; A284-W348 WeakPolarHBondContact CA-O 3.44Å; F285-W348 PolarHBondContact N-O 3.05Å; F285-W348 PolarHBondContact O-N 3.15Å; L298-W348 PolarHBondContact O-NE1 2.91Å; L298-W348 VanDerWaalsContact O-NE1 3.1Å; A301-W348 HydrophobicContact CB-CZ2 4.01Å; S302-W348 PolarHBondContact OG-NE1 3.41Å; H337-W348 AromaticContact CD2-CZ2 3.99Å; H337-W348 AromaticContact CE1-CD1 3.81Å; H337-W348 AromaticContact CE1-CD2 3.38Å; H337-W348 AromaticContact CE1-CE2 3.12Å; H337-W348 AromaticContact CE1-CE3 3.88Å; H337-W348 AromaticContact CE1-CG 3.87Å; H337-W348 AromaticContact CE1-CH2 3.91Å; H337-W348 AromaticContact CE1-CZ2 3.45Å; H337-W348 VanDerWaalsContact CE1-CZ2 3.45Å; H337-W348 WeakPolarHBondContact CE1-CZ2 3.35Å; H337-W348 AromaticContact CE1-NE1 3.4Å; H337-W348 PolarHBondContact CE1-NE1 3.44Å; H337-W348 AromaticContact NE2-CD2 3.54Å; H337-W348 AromaticContact NE2-CE2 3.16Å; H337-W348 AromaticContact NE2-CE3 3.65Å; H337-W348 AromaticContact NE2-CH2 3.05Å; H337-W348 WeakPolarHBondContact NE2-CH2 3.26Å; H337-W348 AromaticContact NE2-CZ2 2.94Å; H337-W348 WeakPolarHBondContact NE2-CZ2 3.28Å; H337-W348 AromaticContact NE2-CZ3 3.43Å; H337-W348 WeakPolarHBondContact NE2-CZ3 3.33Å; H337-W348 AromaticContact NE2-NE1 3.87Å; F339-W348 HydrophobicContact CD2-CB 3.93Å; F339-W348 AromaticContact CD2-CD1 3.62Å; F339-W348 HydrophobicContact CD2-CG 4.18Å; F339-W348 HydrophobicContact CE2-CB 4.35Å; F339-W348 AromaticContact CG-CD1 3.97Å; W348-F370 AromaticContact CH2-CD1 3.92Å; W348-F370 HydrophobicContact CH2-CD1 3.92Å; W348-F370 AromaticContact CH2-CE1 3.82Å; W348-F370 HydrophobicContact CH2-CE1 3.82Å; W348-F370 HydrophobicContact CH2-CZ 4.32Å; W348-F370 AromaticContact CZ3-CD1 3.95Å; W348-F370 HydrophobicContact CZ3-CD1 3.95Å; W348-F370 HydrophobicContact CZ3-CD2 4.26Å; W348-F370 AromaticContact CZ3-CE1 3.79Å; W348-F370 HydrophobicContact CZ3-CE1 3.79Å; W348-F370 HydrophobicContact CZ3-CE2 4.1Å; W348-F370 HydrophobicContact CZ3-CG 4.19Å; W348-F370 AromaticContact CZ3-CZ 3.85Å; W348-F370 HydrophobicContact CZ3-CZ 3.85Å; W348-M373 HydrophobicContact CH2-CE 3.42Å; W348-M373 VanDerWaalsContact CH2-CE 3.42Å; W348-M373 HydrophobicContact CZ2-CE 3.77Å; W348-M373 HydrophobicContact CZ3-CE 4.48Å; W348-F443 HydrophobicContact CB-CE1 4.25Å; W348-F443 HydrophobicContact CB-CZ 4.49Å; W348-F443 AromaticContact CD2-CE1 3.54Å; W348-F443 HydrophobicContact CD2-CE1 3.54Å; W348-F443 HydrophobicContact CD2-CE2 4.18Å; W348-F443 AromaticContact CD2-CZ 3.2Å; W348-F443 HydrophobicContact CD2-CZ 3.2Å; W348-F443 AromaticContact CE2-CZ 3.49Å; W348-F443 VanDerWaalsContact CE2-CZ 3.49Å; W348-F443 HydrophobicContact CE3-CD1 4.01Å; W348-F443 AromaticContact CE3-CE1 3.18Å; W348-F443 HydrophobicContact CE3-CE1 3.18Å; W348-F443 AromaticContact CE3-CE2 3.99Å; W348-F443 HydrophobicContact CE3-CE2 3.99Å; W348-F443 AromaticContact CE3-CZ 3.17Å; W348-F443 HydrophobicContact CE3-CZ 3.17Å; W348-F443 HydrophobicContact CG-CE1 4.03Å; W348-F443 AromaticContact CG-CZ 3.83Å; W348-F443 HydrophobicContact CG-CZ 3.83Å; W348-F443 HydrophobicContact CH2-CD2 4.49Å; W348-F443 HydrophobicContact CH2-CE1 4.46Å; W348-F443 AromaticContact CH2-CE2 3.78Å; W348-F443 HydrophobicContact CH2-CE2 3.78Å; W348-F443 AromaticContact CH2-CZ 3.77Å; W348-F443 HydrophobicContact CH2-CZ 3.77Å; W348-F443 AromaticContact CZ2-CE2 3.92Å; W348-F443 HydrophobicContact CZ2-CE2 3.92Å; W348-F443 AromaticContact CZ2-CZ 3.76Å; W348-F443 HydrophobicContact CZ2-CZ 3.76Å; W348-F443 HydrophobicContact CZ3-CD1 4.22Å; W348-F443 HydrophobicContact CZ3-CD2 4.32Å; W348-F443 AromaticContact CZ3-CE1 3.71Å; W348-F443 HydrophobicContact CZ3-CE1 3.71Å; W348-F443 AromaticContact CZ3-CE2 3.8Å; W348-F443 HydrophobicContact CZ3-CE2 3.8Å; W348-F443 AromaticContact CZ3-CZ 3.47Å; W348-F443 HydrophobicContact CZ3-CZ 3.47Å; W348-F443 VanDerWaalsContact CZ3-CZ 3.47Å |
| 349 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | -169.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I283 H337 F338 | I283-G349 CarbonylContact O-C 3.56Å; I283-G349 WeakPolarHBondContact O-CA 3.27Å; H337-G349 WeakPolarHBondContact CA-O 3.5Å; H337-G349 PolarHBondContact CE1-O 3.03Å; H337-G349 PolarHBondContact ND1-O 3.31Å; H337-G349 VanDerWaalsContact ND1-O 3.16Å; H337-G349 PolarHBondContact NE2-O 3.18Å; F338-G349 PolarHBondContact N-O 3.4Å; F338-G349 PolarHBondContact O-N 2.81Å; F338-G349 VanDerWaalsContact O-N 3.08Å |
| 350 | V | 96.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.7 | 177.8 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | A282 I283 F335 L352 F366 F370 | A282-V350 WeakPolarHBondContact CA-O 3.47Å; I283-V350 PolarHBondContact N-O 3.37Å; I283-V350 PolarHBondContact O-N 2.92Å; F335-V350 HydrophobicContact CB-CG2 4.19Å; F335-V350 HydrophobicContact CD2-CG2 4.4Å; V350-L352 HydrophobicContact CG1-CD2 4.38Å; V350-F366 HydrophobicContact CB-CD1 4.26Å; V350-F366 HydrophobicContact CB-CE1 4.22Å; V350-F366 HydrophobicContact CG1-CB 4.19Å; V350-F366 HydrophobicContact CG1-CD1 3.84Å; V350-F366 HydrophobicContact CG1-CD2 4.11Å; V350-F366 HydrophobicContact CG1-CE1 4.18Å; V350-F366 HydrophobicContact CG1-CE2 4.42Å; V350-F366 HydrophobicContact CG1-CG 3.8Å; V350-F366 HydrophobicContact CG1-CZ 4.45Å; V350-F366 HydrophobicContact CG2-CD1 4.06Å; V350-F366 HydrophobicContact CG2-CE1 3.53Å; V350-F366 HydrophobicContact CG2-CE2 4.19Å; V350-F366 HydrophobicContact CG2-CZ 3.6Å; V350-F370 HydrophobicContact CB-CZ 4.08Å; V350-F370 HydrophobicContact CG1-CE2 4.33Å; V350-F370 HydrophobicContact CG1-CZ 3.84Å |
| 351 | Y | 97.6 | Very high | 95 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 5% | 0.047 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137 | 167.4 | 169.3 | -104.2 | 0 | 0 | 0 | 108.4 | Q173 V176 F177 H280 A281 A282 F335 Q336 | Q173-Y351 HydrophobicContact CB-CE1 4.27Å; Q173-Y351 HydrophobicContact CB-CE2 4.43Å; Q173-Y351 WeakPolarHBondContact CB-OH 3.4Å; Q173-Y351 HydrophobicContact CG-CD1 4.35Å; Q173-Y351 HydrophobicContact CG-CE1 3.84Å; Q173-Y351 HydrophobicContact CG-CE2 4.22Å; V176-Y351 HydrophobicContact CB-CE2 4.33Å; V176-Y351 HydrophobicContact CG1-CD2 4.17Å; V176-Y351 HydrophobicContact CG1-CE2 4.21Å; F177-Y351 HydrophobicContact CE2-CG 4.36Å; H280-Y351 HydrophobicContact CB-CE2 4.2Å; H280-Y351 AromaticContact ND1-CZ 3.86Å; H280-Y351 PolarHBondContact ND1-OH 3.09Å; A281-Y351 CarbonylContact O-C 3.57Å; A281-Y351 WeakPolarHBondContact O-CA 3.43Å; A282-Y351 HydrophobicContact CB-CD2 4.3Å; F335-Y351 CarbonylContact C-O 3.48Å; F335-Y351 WeakPolarHBondContact CA-O 3.33Å; Q336-Y351 PolarHBondContact N-O 3.4Å; Q336-Y351 PolarHBondContact O-N 2.83Å |
| 352 | L | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.5 | 178.4 | 66.6 | 126.4 | 0 | 0 | 0 | 112.4 | A281 S334 F335 V350 A354 L359 V363 F366 | A281-L352 HydrophobicContact CB-CG 4.4Å; A281-L352 PolarHBondContact N-O 2.91Å; A281-L352 PolarHBondContact O-N 2.68Å; S334-L352 WeakPolarHBondContact O-CA 3.2Å; F335-L352 HydrophobicContact CB-CB 3.98Å; V350-L352 HydrophobicContact CG1-CD2 4.38Å; L352-A354 HydrophobicContact CD1-CB 3.9Å; L352-L359 HydrophobicContact CD1-CD1 4.01Å; L352-V363 HydrophobicContact CD2-CG2 4.32Å; L352-F366 HydrophobicContact CB-CE2 4.24Å; L352-F366 HydrophobicContact CD2-CD2 3.97Å; L352-F366 HydrophobicContact CD2-CE2 3.88Å; L352-F366 HydrophobicContact CG-CE2 4.48Å |
| 353 | T | 96.7 | Very high | 94.8 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 8% | 0.08 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125 | 169.8 | -53.7 | 0 | 0 | 0 | 0 | 108.2 | V278 A279 H280 V332 H333 S334 | V278-T353 HydrophobicContact CB-CG2 3.87Å; V278-T353 HydrophobicContact CG2-CG2 3.51Å; A279-T353 CarbonylContact O-C 3.58Å; A279-T353 WeakPolarHBondContact O-CA 2.99Å; H280-T353 PolarHBondContact ND1-OG1 3.19Å; V332-T353 WeakPolarHBondContact CG1-O 3.18Å; H333-T353 HydrophobicContact CB-CG2 4.26Å; H333-T353 PolarHBondContact N-O 3.04Å; S334-T353 PolarHBondContact N-O 3.48Å; S334-T353 PolarHBondContact O-N 3.09Å |
| 354 | A | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 159.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A279 S331 V332 L352 L359 | A279-A354 PolarHBondContact N-O 3.21Å; A279-A354 PolarHBondContact O-N 3.46Å; S331-A354 WeakPolarHBondContact O-CA 3.2Å; S331-A354 WeakPolarHBondContact O-CB 3.39Å; V332-A354 HydrophobicContact CG2-CB 4.34Å; L352-A354 HydrophobicContact CD1-CB 3.9Å; A354-L359 HydrophobicContact CB-CD1 4.25Å |
| 355 | E | 94.7 | Very high | 94.9 | Very high | 72 Ų | 72 | 22.8 Ų | 22.8 | 34% | 0.336 | 11% | 0.113 | S | C | . | . | trans | -65 | 147.9 | 170.8 | -67 | -66.6 | 163.9 | 0 | 0 | 111.1 | R310 S331 H333 M357 G358 L359 | R310-E355 IonicContact NH1-OE1 3.72Å; S331-E355 PolarHBondContact O-N 3.03Å; H333-E355 IonicContact CD2-OE1 2.64Å; H333-E355 IonicContact CE1-OE1 3.43Å; H333-E355 PolarHBondContact CE1-OE1 3.41Å; H333-E355 IonicContact NE2-OE1 3.12Å; H333-E355 PolarHBondContact NE2-OE1 3.08Å; E355-M357 PolarHBondContact O-N 3.01Å; E355-M357 VanDerWaalsContact O-N 3.09Å; E355-G358 PolarHBondContact O-N 3.2Å; E355-L359 PolarHBondContact O-N 2.87Å | ||
| 356 | K | 93.4 | Very high | 94.8 | Very high | 62 Ų | 62 | 22.8 Ų | 22.8 | 27% | 0.27 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -45.7 | 179.5 | 176.4 | 173 | -177.3 | 168.4 | 0 | 112.4 | D274 P455 E457 T458 | D274-K356 IonicContact OD2-NZ 2.73Å; K356-P455 HydrophobicContact CB-CB 3.97Å; K356-P455 HydrophobicContact CB-CG 4.07Å; K356-P455 HydrophobicContact CD-CB 3.9Å; K356-P455 HydrophobicContact CG-CB 3.91Å; K356-E457 WeakPolarHBondContact CE-OE2 2.97Å; K356-E457 IonicContact NZ-OE2 2.82Å; K356-E457 PolarHBondContact NZ-OE2 3.24Å; K356-T458 WeakPolarHBondContact O-CB 3.37Å; K356-T458 VanDerWaalsContact O-CG2 3.26Å; K356-T458 WeakPolarHBondContact O-CG2 3.38Å; K356-T458 PolarHBondContact O-OG1 2.91Å |
| 357 | M | 91.7 | Very high | 94.6 | Very high | 154 Ų | 154 | 22.9 Ų | 22.9 | 76% | 0.759 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -18.8 | -175.8 | -63.9 | -56.2 | -63.1 | 0 | 0 | 113.9 | E355 T458 | E355-M357 PolarHBondContact O-N 3.01Å; E355-M357 VanDerWaalsContact O-N 3.09Å; M357-T458 HydrophobicContact SD-CG2 4.14Å |
| 358 | G | 90 | Very high | 94.3 | Very high | 7 Ų | 7 | 28 Ų | 28 | 7% | 0.072 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -23.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E355 G360 E361 S362 | E355-G358 PolarHBondContact O-N 3.2Å; G358-G360 PolarHBondContact O-N 3.16Å; G358-E361 PolarHBondContact O-N 3.08Å; G358-E361 VanDerWaalsContact O-N 3.13Å; G358-S362 PolarHBondContact O-N 3.42Å; G358-S362 PolarHBondContact O-OG 2.96Å |
| 359 | L | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -50.9 | -53.7 | -169.1 | 179.6 | 65.8 | 0 | 0 | 0 | 114.1 | A279 A281 L352 A354 E355 E361 S362 V363 V456 M459 | A279-L359 HydrophobicContact CB-CD1 4.32Å; A279-L359 HydrophobicContact CB-CD2 3.78Å; A279-L359 HydrophobicContact CB-CG 4.47Å; A281-L359 HydrophobicContact CB-CD1 3.94Å; L352-L359 HydrophobicContact CD1-CD1 4.01Å; A354-L359 HydrophobicContact CB-CD1 4.25Å; E355-L359 PolarHBondContact O-N 2.87Å; L359-E361 VanDerWaalsContact C-N 3.31Å; L359-E361 PolarHBondContact O-N 3.41Å; L359-S362 PolarHBondContact O-N 3.19Å; L359-V363 HydrophobicContact CD1-CG2 4.17Å; L359-V363 WeakPolarHBondContact O-CB 3.26Å; L359-V363 VanDerWaalsContact O-CG2 3.26Å; L359-V363 WeakPolarHBondContact O-CG2 3.28Å; L359-V363 PolarHBondContact O-N 3.37Å; L359-V456 HydrophobicContact CD2-CB 4.11Å; L359-V456 HydrophobicContact CD2-CG1 3.95Å; L359-M459 HydrophobicContact CD1-SD 4.28Å; L359-M459 HydrophobicContact CD2-CB 3.88Å; L359-M459 HydrophobicContact CD2-CG 4.37Å; L359-M459 HydrophobicContact CD2-SD 3.86Å; L359-M459 HydrophobicContact CG-SD 3.81Å |
| 360 | G | 93.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62 | -37.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G358 G364 T458 L460 | G358-G360 PolarHBondContact O-N 3.16Å; G360-G364 PolarHBondContact O-N 3.42Å; G360-G364 VanDerWaalsContact O-N 3.14Å; G360-T458 WeakPolarHBondContact CA-O 3.49Å; G360-L460 WeakPolarHBondContact O-CD1 3.38Å |
| 361 | E | 92.3 | Very high | 93.7 | Very high | 105 Ų | 105 | 29.5 Ų | 29.5 | 49% | 0.491 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.9 | -47.7 | 175.4 | -179.1 | 169.8 | -161 | 0 | 0 | 111 | G358 L359 V363 G364 E365 | G358-E361 PolarHBondContact O-N 3.08Å; G358-E361 VanDerWaalsContact O-N 3.13Å; L359-E361 VanDerWaalsContact C-N 3.31Å; L359-E361 PolarHBondContact O-N 3.41Å; E361-V363 VanDerWaalsContact C-N 3.32Å; E361-V363 PolarHBondContact O-N 3.3Å; E361-G364 WeakPolarHBondContact O-CA 3.24Å; E361-G364 PolarHBondContact O-N 3.34Å; E361-E365 WeakPolarHBondContact O-CG 3.36Å; E361-E365 PolarHBondContact O-N 2.98Å |
| 362 | S | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 179.6 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | V332 G358 L359 G364 E365 F366 | V332-S362 VanDerWaalsContact CG2-CB 3.47Å; V332-S362 WeakPolarHBondContact CG2-OG 3.44Å; G358-S362 PolarHBondContact O-N 3.42Å; G358-S362 PolarHBondContact O-OG 2.96Å; L359-S362 PolarHBondContact O-N 3.19Å; S362-G364 VanDerWaalsContact C-N 3.35Å; S362-E365 PolarHBondContact O-N 2.84Å; S362-F366 VanDerWaalsContact O-CD2 3.25Å; S362-F366 WeakPolarHBondContact O-CD2 3.44Å; S362-F366 PolarHBondContact O-N 3.06Å; S362-F366 VanDerWaalsContact O-N 3.08Å |
| 363 | V | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.1 | 165.7 | 0 | 0 | 0 | 0 | 111.2 | I283 L352 L359 E361 E365 F366 L367 M459 L460 I465 | I283-V363 HydrophobicContact CD1-CB 4.15Å; I283-V363 HydrophobicContact CD1-CG1 3.51Å; I283-V363 HydrophobicContact CD1-CG2 3.91Å; L352-V363 HydrophobicContact CD2-CG2 4.32Å; L359-V363 HydrophobicContact CD1-CG2 4.17Å; L359-V363 WeakPolarHBondContact O-CB 3.26Å; L359-V363 VanDerWaalsContact O-CG2 3.26Å; L359-V363 WeakPolarHBondContact O-CG2 3.28Å; L359-V363 PolarHBondContact O-N 3.37Å; E361-V363 VanDerWaalsContact C-N 3.32Å; E361-V363 PolarHBondContact O-N 3.3Å; V363-E365 VanDerWaalsContact C-N 3.28Å; V363-E365 PolarHBondContact O-N 3.37Å; V363-F366 PolarHBondContact O-N 3.18Å; V363-L367 HydrophobicContact CG1-CD1 4.02Å; V363-L367 WeakPolarHBondContact O-CG 3.44Å; V363-L367 PolarHBondContact O-N 3.26Å; V363-L367 VanDerWaalsContact O-N 3.11Å; V363-M459 HydrophobicContact CB-CE 4.47Å; V363-M459 HydrophobicContact CB-SD 4.4Å; V363-M459 HydrophobicContact CG1-CE 4.09Å; V363-M459 HydrophobicContact CG1-SD 4.46Å; V363-M459 HydrophobicContact CG2-CE 3.78Å; V363-M459 HydrophobicContact CG2-SD 3.73Å; V363-L460 HydrophobicContact CG1-CD1 4.41Å; V363-I465 HydrophobicContact CG1-CD1 4.45Å; V363-I465 HydrophobicContact CG1-CG1 4.34Å |
| 364 | G | 93.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -35.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G360 E361 S362 K368 | G360-G364 PolarHBondContact O-N 3.42Å; G360-G364 VanDerWaalsContact O-N 3.14Å; E361-G364 WeakPolarHBondContact O-CA 3.24Å; E361-G364 PolarHBondContact O-N 3.34Å; S362-G364 VanDerWaalsContact C-N 3.35Å; G364-K368 WeakPolarHBondContact O-CB 3.27Å; G364-K368 PolarHBondContact O-N 2.84Å; G364-K368 VanDerWaalsContact O-N 3.1Å |
| 365 | E | 92.6 | Very high | 92.8 | Very high | 42 Ų | 42 | 31.3 Ų | 31.3 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.6 | -38.5 | 177.3 | -70.2 | -62.7 | 138.1 | 0 | 0 | 112.8 | K325 F326 E361 S362 V363 K368 E369 | K325-E365 HydrophobicContact CD-CG 4.41Å; K325-E365 IonicContact NZ-OE1 2.92Å; K325-E365 PolarHBondContact NZ-OE1 2.82Å; K325-E365 IonicContact NZ-OE2 2.81Å; K325-E365 PolarHBondContact NZ-OE2 2.91Å; F326-E365 HydrophobicContact CE1-CB 4.17Å; F326-E365 HydrophobicContact CZ-CB 4.28Å; E361-E365 WeakPolarHBondContact O-CG 3.36Å; E361-E365 PolarHBondContact O-N 2.98Å; S362-E365 PolarHBondContact O-N 2.84Å; V363-E365 VanDerWaalsContact C-N 3.28Å; V363-E365 PolarHBondContact O-N 3.37Å; E365-K368 PolarHBondContact O-N 3.39Å; E365-E369 WeakPolarHBondContact O-CB 3.47Å; E365-E369 PolarHBondContact O-N 2.89Å |
| 366 | F | 93.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 172.1 | -85.2 | -67.2 | 0 | 0 | 0 | 112.3 | L322 F326 F335 V350 L352 S362 V363 K368 E369 F370 | L322-F366 HydrophobicContact CD1-CD1 3.7Å; L322-F366 HydrophobicContact CD1-CE1 3.93Å; L322-F366 HydrophobicContact CD1-CG 4.13Å; L322-F366 HydrophobicContact CD2-CD1 3.88Å; L322-F366 HydrophobicContact CD2-CE1 3.19Å; L322-F366 HydrophobicContact CD2-CE2 4.16Å; L322-F366 HydrophobicContact CD2-CZ 3.37Å; L322-F366 HydrophobicContact CG-CD1 4.46Å; L322-F366 HydrophobicContact CG-CE1 4.21Å; F326-F366 HydrophobicContact CE2-CD2 4.18Å; F326-F366 HydrophobicContact CE2-CE1 4.5Å; F326-F366 AromaticContact CE2-CE2 3.45Å; F326-F366 HydrophobicContact CE2-CE2 3.45Å; F326-F366 VanDerWaalsContact CE2-CE2 3.45Å; F326-F366 AromaticContact CE2-CZ 3.64Å; F326-F366 HydrophobicContact CE2-CZ 3.64Å; F326-F366 HydrophobicContact CZ-CD2 4.09Å; F326-F366 AromaticContact CZ-CE2 3.81Å; F326-F366 HydrophobicContact CZ-CE2 3.81Å; F326-F366 HydrophobicContact CZ-CZ 4.33Å; F335-F366 HydrophobicContact CB-CE2 4.21Å; F335-F366 HydrophobicContact CB-CZ 3.55Å; F335-F366 AromaticContact CD1-CZ 3.87Å; F335-F366 HydrophobicContact CD1-CZ 3.87Å; F335-F366 HydrophobicContact CD2-CE1 4.04Å; F335-F366 AromaticContact CD2-CZ 3.8Å; F335-F366 HydrophobicContact CD2-CZ 3.8Å; F335-F366 HydrophobicContact CE1-CZ 4.47Å; F335-F366 HydrophobicContact CE2-CE1 4.4Å; F335-F366 HydrophobicContact CE2-CZ 4.44Å; F335-F366 HydrophobicContact CG-CE1 4.2Å; F335-F366 HydrophobicContact CG-CE2 4.49Å; F335-F366 AromaticContact CG-CZ 3.49Å; F335-F366 HydrophobicContact CG-CZ 3.49Å; F335-F366 VanDerWaalsContact CG-CZ 3.49Å; V350-F366 HydrophobicContact CB-CD1 4.26Å; V350-F366 HydrophobicContact CB-CE1 4.22Å; V350-F366 HydrophobicContact CG1-CB 4.19Å; V350-F366 HydrophobicContact CG1-CD1 3.84Å; V350-F366 HydrophobicContact CG1-CD2 4.11Å; V350-F366 HydrophobicContact CG1-CE1 4.18Å; V350-F366 HydrophobicContact CG1-CE2 4.42Å; V350-F366 HydrophobicContact CG1-CG 3.8Å; V350-F366 HydrophobicContact CG1-CZ 4.45Å; V350-F366 HydrophobicContact CG2-CD1 4.06Å; V350-F366 HydrophobicContact CG2-CE1 3.53Å; V350-F366 HydrophobicContact CG2-CE2 4.19Å; V350-F366 HydrophobicContact CG2-CZ 3.6Å; L352-F366 HydrophobicContact CB-CE2 4.24Å; L352-F366 HydrophobicContact CD2-CD2 3.97Å; L352-F366 HydrophobicContact CD2-CE2 3.88Å; L352-F366 HydrophobicContact CG-CE2 4.48Å; S362-F366 VanDerWaalsContact O-CD2 3.25Å; S362-F366 WeakPolarHBondContact O-CD2 3.44Å; S362-F366 PolarHBondContact O-N 3.06Å; S362-F366 VanDerWaalsContact O-N 3.08Å; V363-F366 PolarHBondContact O-N 3.18Å; F366-K368 VanDerWaalsContact C-N 3.3Å; F366-K368 PolarHBondContact O-N 2.9Å; F366-E369 PolarHBondContact O-N 2.84Å; F366-E369 VanDerWaalsContact O-N 3.1Å; F366-F370 HydrophobicContact CD1-CE1 4.5Å; F366-F370 HydrophobicContact CD1-CZ 4.5Å; F366-F370 WeakPolarHBondContact O-CD1 3.47Å; F366-F370 VanDerWaalsContact O-CG 3.32Å; F366-F370 WeakPolarHBondContact O-CG 3.35Å; F366-F370 PolarHBondContact O-N 3.31Å |
| 367 | L | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 179.3 | -67.1 | 167 | 0 | 0 | 0 | 111.3 | I283 F285 V363 E369 F370 V371 I465 K468 T469 | I283-L367 HydrophobicContact CG2-CD2 4.32Å; F285-L367 HydrophobicContact CE2-CD2 4.44Å; F285-L367 HydrophobicContact CZ-CD2 4.23Å; V363-L367 HydrophobicContact CG1-CD1 4.02Å; V363-L367 WeakPolarHBondContact O-CG 3.44Å; V363-L367 PolarHBondContact O-N 3.26Å; V363-L367 VanDerWaalsContact O-N 3.11Å; L367-E369 VanDerWaalsContact C-N 3.29Å; L367-E369 PolarHBondContact O-N 2.93Å; L367-F370 HydrophobicContact CD2-CD2 4.44Å; L367-F370 PolarHBondContact O-N 3.38Å; L367-V371 WeakPolarHBondContact O-CG2 3.42Å; L367-V371 PolarHBondContact O-N 3.28Å; L367-I465 HydrophobicContact CD1-CB 4.26Å; L367-I465 HydrophobicContact CD1-CG1 4.36Å; L367-I465 HydrophobicContact CD1-CG2 3.86Å; L367-K468 HydrophobicContact CB-CB 3.87Å; L367-K468 HydrophobicContact CD1-CB 3.87Å; L367-K468 HydrophobicContact CD1-CD 4.15Å; L367-K468 HydrophobicContact CG-CB 4.49Å; L367-T469 HydrophobicContact CD2-CG2 4.43Å |
| 368 | K | 92.1 | Very high | 92.7 | Very high | 109 Ų | 109 | 26.3 Ų | 26.3 | 47% | 0.474 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -59.5 | -42 | 174.7 | -178.3 | -178.7 | 178.4 | -176.5 | 0 | 111.7 | G364 E365 F366 V371 R372 W471 | G364-K368 WeakPolarHBondContact O-CB 3.27Å; G364-K368 PolarHBondContact O-N 2.84Å; G364-K368 VanDerWaalsContact O-N 3.1Å; E365-K368 PolarHBondContact O-N 3.39Å; F366-K368 VanDerWaalsContact C-N 3.3Å; F366-K368 PolarHBondContact O-N 2.9Å; K368-V371 PolarHBondContact O-N 3.32Å; K368-R372 PolarHBondContact O-N 3.44Å; K368-W471 HydrophobicContact CG-CZ2 4.14Å; K368-W471 WeakPolarHBondContact O-CZ2 3.43Å |
| 369 | E | 91.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.8 | -36 | 179 | -179.5 | 62.1 | -164.8 | 0 | 0 | 112 | H305 L322 E365 F366 L367 R372 M373 | H305-E369 IonicContact CD2-OE1 3.44Å; H305-E369 WeakPolarHBondContact NE2-CG 3.31Å; H305-E369 IonicContact NE2-OE1 3.46Å; H305-E369 PolarHBondContact NE2-OE1 3.46Å; L322-E369 HydrophobicContact CD1-CB 3.97Å; L322-E369 HydrophobicContact CD1-CG 4.26Å; E365-E369 WeakPolarHBondContact O-CB 3.47Å; E365-E369 PolarHBondContact O-N 2.89Å; F366-E369 PolarHBondContact O-N 2.84Å; F366-E369 VanDerWaalsContact O-N 3.1Å; L367-E369 VanDerWaalsContact C-N 3.29Å; L367-E369 PolarHBondContact O-N 2.93Å; E369-R372 WeakPolarHBondContact O-CB 3.22Å; E369-R372 PolarHBondContact O-N 3.02Å; E369-R372 IonicContact OE1-CZ 3.69Å; E369-R372 VanDerWaalsContact OE1-CZ 3.25Å; E369-R372 IonicContact OE1-NE 3Å; E369-R372 PolarHBondContact OE1-NE 2.86Å; E369-R372 IonicContact OE1-NH2 3.75Å; E369-R372 PolarHBondContact OE1-NH2 3.34Å; E369-R372 WeakPolarHBondContact OE2-CD 3.36Å; E369-R372 IonicContact OE2-CZ 2.99Å; E369-R372 IonicContact OE2-NE 2.69Å; E369-R372 PolarHBondContact OE2-NE 3.08Å; E369-R372 IonicContact OE2-NH2 2.97Å; E369-M373 WeakPolarHBondContact O-CG 3.44Å; E369-M373 PolarHBondContact O-N 3.25Å |
| 370 | F | 92.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 171.7 | -63.8 | -16.5 | 0 | 0 | 0 | 112 | F285 H305 W348 V350 F366 L367 R372 M373 C374 | F285-F370 AromaticContact CE2-CD2 3.81Å; F285-F370 HydrophobicContact CE2-CD2 3.81Å; F285-F370 HydrophobicContact CE2-CE2 4.16Å; H305-F370 AromaticContact ND1-CE1 3.98Å; W348-F370 AromaticContact CH2-CD1 3.92Å; W348-F370 HydrophobicContact CH2-CD1 3.92Å; W348-F370 AromaticContact CH2-CE1 3.82Å; W348-F370 HydrophobicContact CH2-CE1 3.82Å; W348-F370 HydrophobicContact CH2-CZ 4.32Å; W348-F370 AromaticContact CZ3-CD1 3.95Å; W348-F370 HydrophobicContact CZ3-CD1 3.95Å; W348-F370 HydrophobicContact CZ3-CD2 4.26Å; W348-F370 AromaticContact CZ3-CE1 3.79Å; W348-F370 HydrophobicContact CZ3-CE1 3.79Å; W348-F370 HydrophobicContact CZ3-CE2 4.1Å; W348-F370 HydrophobicContact CZ3-CG 4.19Å; W348-F370 AromaticContact CZ3-CZ 3.85Å; W348-F370 HydrophobicContact CZ3-CZ 3.85Å; V350-F370 HydrophobicContact CB-CZ 4.08Å; V350-F370 HydrophobicContact CG1-CE2 4.33Å; V350-F370 HydrophobicContact CG1-CZ 3.84Å; F366-F370 HydrophobicContact CD1-CE1 4.5Å; F366-F370 HydrophobicContact CD1-CZ 4.5Å; F366-F370 WeakPolarHBondContact O-CD1 3.47Å; F366-F370 VanDerWaalsContact O-CG 3.32Å; F366-F370 WeakPolarHBondContact O-CG 3.35Å; F366-F370 PolarHBondContact O-N 3.31Å; L367-F370 HydrophobicContact CD2-CD2 4.44Å; L367-F370 PolarHBondContact O-N 3.38Å; F370-R372 VanDerWaalsContact C-N 3.31Å; F370-R372 PolarHBondContact O-N 2.94Å; F370-M373 WeakPolarHBondContact O-CB 3.44Å; F370-M373 PolarHBondContact O-N 3.47Å; F370-M373 VanDerWaalsContact O-N 3.16Å; F370-C374 PolarHBondContact O-N 3.36Å; F370-C374 PolarHBondContact O-SG 3.48Å |
| 371 | V | 92.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -34.3 | 174.6 | -178 | 0 | 0 | 0 | 0 | 111.6 | L367 K368 M373 C374 T375 F444 K468 T469 W471 | L367-V371 WeakPolarHBondContact O-CG2 3.42Å; L367-V371 PolarHBondContact O-N 3.28Å; K368-V371 PolarHBondContact O-N 3.32Å; V371-M373 VanDerWaalsContact C-N 3.29Å; V371-M373 PolarHBondContact O-N 3.4Å; V371-C374 VanDerWaalsContact O-CB 3.3Å; V371-C374 WeakPolarHBondContact O-CB 3.43Å; V371-C374 PolarHBondContact O-N 3.34Å; V371-C374 VanDerWaalsContact O-N 3.16Å; V371-T375 PolarHBondContact O-OG1 3.06Å; V371-T375 VanDerWaalsContact O-OG1 3.07Å; V371-F444 HydrophobicContact CG1-CD2 4.26Å; V371-F444 HydrophobicContact CG1-CE2 4.25Å; V371-K468 VanDerWaalsContact CG2-O 3.3Å; V371-K468 WeakPolarHBondContact CG2-O 3.21Å; V371-T469 VanDerWaalsContact CG2-C 3.41Å; V371-T469 WeakPolarHBondContact CG2-O 3.49Å; V371-W471 HydrophobicContact CB-CD2 4.44Å; V371-W471 HydrophobicContact CB-CZ2 4.32Å; V371-W471 HydrophobicContact CG1-CB 4.29Å; V371-W471 VanDerWaalsContact CG1-CD1 3.47Å; V371-W471 HydrophobicContact CG1-CD2 3.6Å; V371-W471 HydrophobicContact CG1-CE3 4.35Å; V371-W471 HydrophobicContact CG1-CG 3.55Å; V371-W471 HydrophobicContact CG1-CZ2 4.27Å |
| 372 | R | 92.7 | Very high | 92.9 | Very high | 35 Ų | 35 | 30.2 Ų | 30.2 | 13% | 0.132 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -40.6 | 172.3 | -170.7 | -167.5 | 73.5 | 87.7 | -4.5 | 111.2 | K368 E369 F370 C374 T375 H376 E381 W471 | K368-R372 PolarHBondContact O-N 3.44Å; E369-R372 WeakPolarHBondContact O-CB 3.22Å; E369-R372 PolarHBondContact O-N 3.02Å; E369-R372 IonicContact OE1-CZ 3.69Å; E369-R372 VanDerWaalsContact OE1-CZ 3.25Å; E369-R372 IonicContact OE1-NE 3Å; E369-R372 PolarHBondContact OE1-NE 2.86Å; E369-R372 IonicContact OE1-NH2 3.75Å; E369-R372 PolarHBondContact OE1-NH2 3.34Å; E369-R372 WeakPolarHBondContact OE2-CD 3.36Å; E369-R372 IonicContact OE2-CZ 2.99Å; E369-R372 IonicContact OE2-NE 2.69Å; E369-R372 PolarHBondContact OE2-NE 3.08Å; E369-R372 IonicContact OE2-NH2 2.97Å; F370-R372 VanDerWaalsContact C-N 3.31Å; F370-R372 PolarHBondContact O-N 2.94Å; R372-C374 PolarHBondContact O-N 2.88Å; R372-T375 PolarHBondContact O-N 3.02Å; R372-T375 VanDerWaalsContact O-N 3.07Å; R372-T375 PolarHBondContact O-OG1 3.43Å; R372-H376 HydrophobicContact CG-CB 4Å; R372-H376 PolarHBondContact NH1-O 3.26Å; R372-H376 PolarHBondContact O-N 2.92Å; R372-E381 IonicContact CZ-OE1 3.5Å; R372-E381 IonicContact CZ-OE2 3.72Å; R372-E381 IonicContact NH1-OE1 3.74Å; R372-E381 PolarHBondContact NH1-OE1 3.29Å; R372-E381 IonicContact NH1-OE2 3.29Å; R372-E381 PolarHBondContact NH1-OE2 2.94Å; R372-E381 IonicContact NH2-OE1 3.28Å; R372-E381 PolarHBondContact NH2-OE1 2.91Å; R372-E381 IonicContact NH2-OE2 3.66Å; R372-E381 PolarHBondContact NH2-OE2 3.47Å; R372-W471 HydrophobicContact CB-CH2 3.88Å; R372-W471 HydrophobicContact CB-CZ2 4.1Å; R372-W471 HydrophobicContact CG-CH2 4.19Å |
| 373 | M | 92.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -32.1 | 178.2 | -60 | -159.9 | -45.7 | 0 | 0 | 112.6 | A301 L304 H305 W348 E369 F370 V371 T375 C439 F443 | A301-M373 HydrophobicContact CB-CE 4.17Å; L304-M373 HydrophobicContact CB-SD 4.34Å; L304-M373 HydrophobicContact CD1-CG 4.39Å; L304-M373 HydrophobicContact CD1-SD 3.57Å; L304-M373 VanDerWaalsContact CD1-SD 3.57Å; H305-M373 PolarHBondContact CE1-SD 2.82Å; W348-M373 HydrophobicContact CH2-CE 3.42Å; W348-M373 VanDerWaalsContact CH2-CE 3.42Å; W348-M373 HydrophobicContact CZ2-CE 3.77Å; W348-M373 HydrophobicContact CZ3-CE 4.48Å; E369-M373 WeakPolarHBondContact O-CG 3.44Å; E369-M373 PolarHBondContact O-N 3.25Å; F370-M373 WeakPolarHBondContact O-CB 3.44Å; F370-M373 PolarHBondContact O-N 3.47Å; F370-M373 VanDerWaalsContact O-N 3.16Å; V371-M373 VanDerWaalsContact C-N 3.29Å; V371-M373 PolarHBondContact O-N 3.4Å; M373-T375 PolarHBondContact O-N 3.05Å; M373-C439 HydrophobicContact CB-CB 4.45Å; M373-F443 HydrophobicContact CE-CD2 4.31Å; M373-F443 HydrophobicContact CE-CE2 4.02Å |
| 374 | C | 92.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -20.3 | 177.7 | -55.4 | 0 | 0 | 0 | 0 | 112.9 | F370 V371 R372 C439 M440 | F370-C374 PolarHBondContact O-N 3.36Å; F370-C374 PolarHBondContact O-SG 3.48Å; V371-C374 VanDerWaalsContact O-CB 3.3Å; V371-C374 WeakPolarHBondContact O-CB 3.43Å; V371-C374 PolarHBondContact O-N 3.34Å; V371-C374 VanDerWaalsContact O-N 3.16Å; R372-C374 PolarHBondContact O-N 2.88Å; C374-C439 HydrophobicContact CB-CB 4.26Å; C374-C439 VanDerWaalsContact SG-C 3.55Å; C374-C439 PolarHBondContact SG-O 3.06Å; C374-M440 HydrophobicContact CB-CE 4.12Å; C374-M440 HydrophobicContact CB-CG 3.95Å; C374-M440 HydrophobicContact CB-SD 3.79Å |
| 375 | T | 90.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 15% | 0.153 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -131.3 | -42.2 | -162.9 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | V371 R372 M373 K436 M440 L474 | V371-T375 PolarHBondContact O-OG1 3.06Å; V371-T375 VanDerWaalsContact O-OG1 3.07Å; R372-T375 PolarHBondContact O-N 3.02Å; R372-T375 VanDerWaalsContact O-N 3.07Å; R372-T375 PolarHBondContact O-OG1 3.43Å; M373-T375 PolarHBondContact O-N 3.05Å; T375-K436 WeakPolarHBondContact O-CD 3.42Å; T375-M440 HydrophobicContact CG2-CE 3.6Å; T375-L474 HydrophobicContact CG2-CD1 3.58Å; T375-L474 HydrophobicContact CG2-CD2 3.46Å; T375-L474 VanDerWaalsContact CG2-CD2 3.46Å; T375-L474 HydrophobicContact CG2-CG 4.12Å |
| 376 | H | 91.6 | Very high | 92.9 | Very high | 107 Ų | 107 | 35.1 Ų | 35.1 | 50% | 0.495 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -128.3 | 20.3 | -166.6 | -62.2 | 85.1 | 0 | 0 | 0 | 113.7 | R372 T378 W471 | R372-H376 HydrophobicContact CG-CB 4Å; R372-H376 PolarHBondContact NH1-O 3.26Å; R372-H376 PolarHBondContact O-N 2.92Å; H376-T378 PolarHBondContact O-N 2.98Å; H376-W471 AromaticContact CE1-CZ3 3.75Å; H376-W471 AromaticContact ND1-CZ3 3.6Å |
| 377 | V | 92.3 | Very high | 93 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | trans | -68.5 | 134.9 | 173.2 | 72.4 | 0 | 0 | 0 | 0 | 110.2 | L304 E381 I382 I435 K436 | L304-V377 HydrophobicContact CD1-CG2 3.95Å; L304-V377 HydrophobicContact CD2-CG2 4.23Å; V377-E381 HydrophobicContact CG2-CB 4.26Å; V377-I382 HydrophobicContact CB-CD1 4.49Å; V377-I382 HydrophobicContact CG1-CD1 4.21Å; V377-I382 HydrophobicContact CG2-CD1 3.47Å; V377-I382 VanDerWaalsContact CG2-CD1 3.47Å; V377-I382 HydrophobicContact CG2-CG1 4.02Å; V377-I435 HydrophobicContact CG1-CG2 4.42Å; V377-K436 HydrophobicContact CG1-CD 4.27Å; V377-K436 HydrophobicContact CG1-CG 3.61Å | ||
| 378 | T | 93.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | trans | -97.8 | 151.8 | -177.3 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | H376 H380 E381 I382 | H376-T378 PolarHBondContact O-N 2.98Å; T378-H380 PolarHBondContact O-N 3.29Å; T378-E381 PolarHBondContact N-OE2 3.17Å; T378-E381 PolarHBondContact O-N 3.48Å; T378-E381 VanDerWaalsContact OG1-CG 3.28Å; T378-E381 WeakPolarHBondContact OG1-CG 3.46Å; T378-E381 PolarHBondContact OG1-N 2.85Å; T378-E381 PolarHBondContact OG1-OE2 3.29Å; T378-I382 PolarHBondContact O-N 3.06Å; T378-I382 VanDerWaalsContact O-N 3.1Å | ||
| 379 | Q | 94.6 | Very high | 93 | Very high | 76 Ų | 76 | 36.5 Ų | 36.5 | 36% | 0.355 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.3 | -36 | 177.4 | -172 | 59.5 | 45.4 | 0 | 0 | 112.4 | E381 I382 D383 A432 | Q379-E381 PolarHBondContact O-N 2.92Å; Q379-I382 PolarHBondContact O-N 3.31Å; Q379-D383 PolarHBondContact NE2-OD1 3.4Å; Q379-D383 PolarHBondContact O-N 3.26Å; Q379-A432 HydrophobicContact CB-CB 4.43Å |
| 380 | H | 92.8 | Very high | 93.1 | Very high | 112 Ų | 112 | 35.4 Ų | 35.4 | 52% | 0.519 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.4 | 177.4 | -82.9 | 0 | 0 | 0 | 112.8 | T378 I382 R384 | T378-H380 PolarHBondContact O-N 3.29Å; H380-I382 VanDerWaalsContact C-N 3.34Å; H380-R384 PolarHBondContact O-N 3.16Å; H380-R384 VanDerWaalsContact O-N 3.13Å |
| 381 | E | 92.2 | Very high | 93.1 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 174.7 | -73 | 171.3 | 148.3 | 0 | 0 | 110.8 | L304 K321 R372 V377 T378 Q379 R384 A385 | L304-E381 HydrophobicContact CD2-CB 3.83Å; L304-E381 WeakPolarHBondContact CD2-O 3.23Å; K321-E381 IonicContact NZ-OE1 2.8Å; K321-E381 PolarHBondContact NZ-OE1 3.44Å; R372-E381 IonicContact CZ-OE1 3.5Å; R372-E381 IonicContact CZ-OE2 3.72Å; R372-E381 IonicContact NH1-OE1 3.74Å; R372-E381 PolarHBondContact NH1-OE1 3.29Å; R372-E381 IonicContact NH1-OE2 3.29Å; R372-E381 PolarHBondContact NH1-OE2 2.94Å; R372-E381 IonicContact NH2-OE1 3.28Å; R372-E381 PolarHBondContact NH2-OE1 2.91Å; R372-E381 IonicContact NH2-OE2 3.66Å; R372-E381 PolarHBondContact NH2-OE2 3.47Å; V377-E381 HydrophobicContact CG2-CB 4.26Å; T378-E381 PolarHBondContact N-OE2 3.17Å; T378-E381 PolarHBondContact O-N 3.48Å; T378-E381 VanDerWaalsContact OG1-CG 3.28Å; T378-E381 WeakPolarHBondContact OG1-CG 3.46Å; T378-E381 PolarHBondContact OG1-N 2.85Å; T378-E381 PolarHBondContact OG1-OE2 3.29Å; Q379-E381 PolarHBondContact O-N 2.92Å; E381-R384 PolarHBondContact O-N 3.16Å; E381-A385 WeakPolarHBondContact O-CB 3.43Å; E381-A385 PolarHBondContact O-N 3.26Å |
| 382 | I | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 175.8 | -61.1 | -50.1 | 0 | 0 | 0 | 111.8 | V300 L304 V377 T378 Q379 H380 R384 A385 K386 A432 I435 | V300-I382 HydrophobicContact CG1-CG2 4.38Å; L304-I382 HydrophobicContact CD1-CD1 3.99Å; L304-I382 HydrophobicContact CD2-CD1 4.05Å; L304-I382 HydrophobicContact CG-CD1 4.46Å; V377-I382 HydrophobicContact CB-CD1 4.49Å; V377-I382 HydrophobicContact CG1-CD1 4.21Å; V377-I382 HydrophobicContact CG2-CD1 3.47Å; V377-I382 VanDerWaalsContact CG2-CD1 3.47Å; V377-I382 HydrophobicContact CG2-CG1 4.02Å; T378-I382 PolarHBondContact O-N 3.06Å; T378-I382 VanDerWaalsContact O-N 3.1Å; Q379-I382 PolarHBondContact O-N 3.31Å; H380-I382 VanDerWaalsContact C-N 3.34Å; I382-R384 VanDerWaalsContact C-N 3.25Å; I382-R384 PolarHBondContact O-N 2.89Å; I382-A385 PolarHBondContact O-N 3.03Å; I382-A385 VanDerWaalsContact O-N 3.12Å; I382-K386 HydrophobicContact CG2-CD 4.26Å; I382-K386 HydrophobicContact CG2-CG 4.26Å; I382-K386 WeakPolarHBondContact O-CG 2.94Å; I382-K386 PolarHBondContact O-N 3.44Å; I382-A432 HydrophobicContact CG1-CB 4.15Å; I382-I435 HydrophobicContact CD1-CB 3.97Å; I382-I435 HydrophobicContact CD1-CG1 3.85Å; I382-I435 HydrophobicContact CD1-CG2 3.84Å; I382-I435 HydrophobicContact CG1-CG1 4.43Å; I382-I435 HydrophobicContact CG2-CG1 4.48Å |
| 383 | D | 94.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.9 | -38.4 | -179.5 | -68 | -21.5 | 0 | 0 | 0 | 111.2 | Q379 N387 | Q379-D383 PolarHBondContact NE2-OD1 3.4Å; Q379-D383 PolarHBondContact O-N 3.26Å; D383-N387 PolarHBondContact O-N 3.29Å; D383-N387 VanDerWaalsContact O-N 3.12Å; D383-N387 PolarHBondContact O-ND2 3.47Å |
| 384 | R | 92.4 | Very high | 93.1 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 24% | 0.242 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -49.5 | 172.4 | -174.7 | -175.9 | 70.1 | -166.1 | 5.1 | 111.8 | A319 H380 E381 I382 K386 N387 Q388 | A319-R384 PolarHBondContact O-NH1 3.47Å; A319-R384 PolarHBondContact O-NH2 3.14Å; H380-R384 PolarHBondContact O-N 3.16Å; H380-R384 VanDerWaalsContact O-N 3.13Å; E381-R384 PolarHBondContact O-N 3.16Å; I382-R384 VanDerWaalsContact C-N 3.25Å; I382-R384 PolarHBondContact O-N 2.89Å; R384-K386 VanDerWaalsContact C-N 3.32Å; R384-K386 PolarHBondContact O-N 3.39Å; R384-N387 PolarHBondContact O-N 3.25Å; R384-N387 VanDerWaalsContact O-N 3.16Å; R384-Q388 WeakPolarHBondContact O-CG 3.05Å; R384-Q388 PolarHBondContact O-N 3.26Å |
| 385 | A | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | V300 L304 E381 I382 Q388 L389 | V300-A385 HydrophobicContact CG1-CB 4.22Å; L304-A385 HydrophobicContact CD2-CB 3.68Å; L304-A385 HydrophobicContact CG-CB 3.86Å; E381-A385 WeakPolarHBondContact O-CB 3.43Å; E381-A385 PolarHBondContact O-N 3.26Å; I382-A385 PolarHBondContact O-N 3.03Å; I382-A385 VanDerWaalsContact O-N 3.12Å; A385-Q388 PolarHBondContact O-N 3.09Å; A385-L389 WeakPolarHBondContact O-CB 3.45Å; A385-L389 PolarHBondContact O-N 3.5Å |
| 386 | K | 95.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 172.1 | -72.4 | 176.7 | 175.1 | -172.5 | 0 | 111.9 | V300 I382 R384 Q388 L389 K390 I427 D428 L430 | V300-K386 HydrophobicContact CG1-CG 4.06Å; V300-K386 HydrophobicContact CG2-CG 4.35Å; I382-K386 HydrophobicContact CG2-CD 4.26Å; I382-K386 HydrophobicContact CG2-CG 4.26Å; I382-K386 WeakPolarHBondContact O-CG 2.94Å; I382-K386 PolarHBondContact O-N 3.44Å; R384-K386 VanDerWaalsContact C-N 3.32Å; R384-K386 PolarHBondContact O-N 3.39Å; K386-Q388 VanDerWaalsContact C-N 3.29Å; K386-Q388 PolarHBondContact O-N 3.25Å; K386-L389 PolarHBondContact O-N 2.87Å; K386-K390 WeakPolarHBondContact O-CB 3.27Å; K386-K390 VanDerWaalsContact O-CG 3.23Å; K386-K390 WeakPolarHBondContact O-CG 3.45Å; K386-K390 PolarHBondContact O-N 2.96Å; K386-I427 HydrophobicContact CB-CG2 3.87Å; K386-I427 HydrophobicContact CD-CG2 4.36Å; K386-I427 WeakPolarHBondContact CE-O 3.35Å; K386-I427 HydrophobicContact CG-CG2 3.79Å; K386-I427 PolarHBondContact NZ-O 3.45Å; K386-D428 PolarHBondContact NZ-O 2.95Å; K386-L430 WeakPolarHBondContact CE-O 3.46Å; K386-L430 PolarHBondContact NZ-O 3.1Å |
| 387 | N | 93.8 | Very high | 93.2 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 179.6 | -75.4 | -24.2 | 0 | 0 | 0 | 111.2 | Y28 D383 R384 T391 | Y28-N387 PolarHBondContact O-ND2 3.24Å; D383-N387 PolarHBondContact O-N 3.29Å; D383-N387 VanDerWaalsContact O-N 3.12Å; D383-N387 PolarHBondContact O-ND2 3.47Å; R384-N387 PolarHBondContact O-N 3.25Å; R384-N387 VanDerWaalsContact O-N 3.16Å; N387-T391 WeakPolarHBondContact O-CB 3.44Å; N387-T391 PolarHBondContact O-N 2.92Å; N387-T391 PolarHBondContact O-OG1 3.35Å |
| 388 | Q | 92.7 | Very high | 93.1 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 174.3 | -72.5 | 178 | -55.1 | 0 | 0 | 111.9 | S303 R384 A385 K386 K390 T391 H392 | S303-Q388 PolarHBondContact O-OE1 3.28Å; R384-Q388 WeakPolarHBondContact O-CG 3.05Å; R384-Q388 PolarHBondContact O-N 3.26Å; A385-Q388 PolarHBondContact O-N 3.09Å; K386-Q388 VanDerWaalsContact C-N 3.29Å; K386-Q388 PolarHBondContact O-N 3.25Å; Q388-K390 PolarHBondContact O-N 2.88Å; Q388-T391 PolarHBondContact O-N 3.28Å; Q388-H392 WeakPolarHBondContact O-CB 3.21Å; Q388-H392 PolarHBondContact O-N 3.24Å |
| 389 | L | 94 | Very high | 93.1 | Very high | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 178.1 | -179.3 | 61 | 0 | 0 | 0 | 111.8 | M299 V300 A385 K386 T391 H392 L393 I427 | M299-L389 HydrophobicContact CB-CD1 4.27Å; M299-L389 HydrophobicContact CB-CD2 3.85Å; V300-L389 HydrophobicContact CB-CD2 4.48Å; V300-L389 HydrophobicContact CG2-CD2 3.56Å; A385-L389 WeakPolarHBondContact O-CB 3.45Å; A385-L389 PolarHBondContact O-N 3.5Å; K386-L389 PolarHBondContact O-N 2.87Å; L389-T391 VanDerWaalsContact C-N 3.3Å; L389-T391 PolarHBondContact O-N 3.07Å; L389-H392 PolarHBondContact O-N 2.87Å; L389-L393 HydrophobicContact CD1-CD1 3.96Å; L389-L393 HydrophobicContact CD1-CD2 4.48Å; L389-L393 HydrophobicContact CD1-CG 3.99Å; L389-L393 HydrophobicContact CD2-CD1 4.46Å; L389-L393 HydrophobicContact CG-CD1 3.81Å; L389-L393 HydrophobicContact CG-CG 4.29Å; L389-L393 WeakPolarHBondContact O-CB 3.06Å; L389-L393 VanDerWaalsContact O-CG 3.27Å; L389-L393 WeakPolarHBondContact O-CG 3.47Å; L389-L393 PolarHBondContact O-N 3.41Å; L389-I427 HydrophobicContact CD2-CD1 4Å; L389-I427 HydrophobicContact CD2-CG1 4.27Å; L389-I427 HydrophobicContact CG-CD1 4.26Å |
| 390 | K | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 177.3 | -70.2 | 177.6 | 176 | -173 | 0 | 111.9 | F32 K386 Q388 H392 L394 L424 I427 D428 | F32-K390 HydrophobicContact CE2-CD 4.35Å; K386-K390 WeakPolarHBondContact O-CB 3.27Å; K386-K390 VanDerWaalsContact O-CG 3.23Å; K386-K390 WeakPolarHBondContact O-CG 3.45Å; K386-K390 PolarHBondContact O-N 2.96Å; Q388-K390 PolarHBondContact O-N 2.88Å; K390-H392 VanDerWaalsContact C-N 3.34Å; K390-L394 WeakPolarHBondContact O-CB 2.91Å; K390-L394 VanDerWaalsContact O-CG 3.22Å; K390-L394 WeakPolarHBondContact O-CG 2.96Å; K390-L394 PolarHBondContact O-N 3.06Å; K390-L424 HydrophobicContact CB-CD2 3.98Å; K390-L424 HydrophobicContact CD-CD2 3.92Å; K390-L424 HydrophobicContact CG-CD2 3.57Å; K390-I427 HydrophobicContact CG-CD1 4.07Å; K390-I427 HydrophobicContact CG-CG2 4.08Å; K390-D428 WeakPolarHBondContact CE-OD1 3.4Å; K390-D428 IonicContact NZ-OD1 3.25Å; K390-D428 PolarHBondContact NZ-OD1 2.96Å; K390-D428 IonicContact NZ-OD2 3.93Å; K390-D428 PolarHBondContact NZ-OD2 2.78Å |
| 391 | T | 93.3 | Very high | 93.3 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 178.6 | -57 | 0 | 0 | 0 | 0 | 110.1 | N387 Q388 L389 L394 L395 | N387-T391 WeakPolarHBondContact O-CB 3.44Å; N387-T391 PolarHBondContact O-N 2.92Å; N387-T391 PolarHBondContact O-OG1 3.35Å; Q388-T391 PolarHBondContact O-N 3.28Å; L389-T391 VanDerWaalsContact C-N 3.3Å; L389-T391 PolarHBondContact O-N 3.07Å; T391-L394 PolarHBondContact O-N 3.1Å; T391-L395 HydrophobicContact CG2-CD1 3.67Å; T391-L395 HydrophobicContact CG2-CG 4.23Å; T391-L395 WeakPolarHBondContact O-CB 3.27Å; T391-L395 WeakPolarHBondContact O-CG 3.37Å; T391-L395 PolarHBondContact O-N 3.39Å |
| 392 | H | 92.4 | Very high | 93.5 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.5 | -51.6 | 178.3 | -176.8 | 71.7 | 0 | 0 | 0 | 112.1 | Q388 L389 K390 L394 L395 Q396 | Q388-H392 WeakPolarHBondContact O-CB 3.21Å; Q388-H392 PolarHBondContact O-N 3.24Å; L389-H392 PolarHBondContact O-N 2.87Å; K390-H392 VanDerWaalsContact C-N 3.34Å; H392-L394 VanDerWaalsContact C-N 3.32Å; H392-L394 PolarHBondContact O-N 3.39Å; H392-L395 PolarHBondContact O-N 2.94Å; H392-Q396 PolarHBondContact CD2-OE1 3.33Å; H392-Q396 VanDerWaalsContact NE2-CD 3.29Å; H392-Q396 PolarHBondContact NE2-NE2 3.37Å; H392-Q396 VanDerWaalsContact NE2-NE2 3.19Å; H392-Q396 PolarHBondContact NE2-OE1 3.08Å; H392-Q396 WeakPolarHBondContact O-CB 3.28Å; H392-Q396 WeakPolarHBondContact O-CG 3.33Å; H392-Q396 PolarHBondContact O-N 3.25Å |
| 393 | L | 92.5 | Very high | 93.6 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 16% | 0.162 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | -179.9 | -68.9 | 169.9 | 0 | 0 | 0 | 112.5 | L389 L397 L423 I427 | L389-L393 HydrophobicContact CD1-CD1 3.96Å; L389-L393 HydrophobicContact CD1-CD2 4.48Å; L389-L393 HydrophobicContact CD1-CG 3.99Å; L389-L393 HydrophobicContact CD2-CD1 4.46Å; L389-L393 HydrophobicContact CG-CD1 3.81Å; L389-L393 HydrophobicContact CG-CG 4.29Å; L389-L393 WeakPolarHBondContact O-CB 3.06Å; L389-L393 VanDerWaalsContact O-CG 3.27Å; L389-L393 WeakPolarHBondContact O-CG 3.47Å; L389-L393 PolarHBondContact O-N 3.41Å; L393-L397 WeakPolarHBondContact O-CG 3.39Å; L393-L423 HydrophobicContact CD1-CD2 3.96Å; L393-L423 HydrophobicContact CD1-CG 4.45Å; L393-I427 HydrophobicContact CD1-CD1 3.77Å |
| 394 | L | 92.2 | Very high | 93.7 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.8 | -39.3 | 179.2 | -68.8 | 173.2 | 0 | 0 | 0 | 112.2 | F32 K390 T391 H392 Q396 L397 I420 | F32-L394 HydrophobicContact CE1-CD1 3.69Å; F32-L394 HydrophobicContact CZ-CD1 4Å; K390-L394 WeakPolarHBondContact O-CB 2.91Å; K390-L394 VanDerWaalsContact O-CG 3.22Å; K390-L394 WeakPolarHBondContact O-CG 2.96Å; K390-L394 PolarHBondContact O-N 3.06Å; T391-L394 PolarHBondContact O-N 3.1Å; H392-L394 VanDerWaalsContact C-N 3.32Å; H392-L394 PolarHBondContact O-N 3.39Å; L394-Q396 VanDerWaalsContact C-N 3.3Å; L394-L397 PolarHBondContact O-N 3.42Å; L394-I420 HydrophobicContact CD2-CD1 4.48Å; L394-I420 HydrophobicContact CD2-CG2 3.69Å |
| 395 | L | 92.9 | Very high | 93.9 | Very high | 122 Ų | 122 | 48 Ų | 48 | 64% | 0.639 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.4 | -29.5 | 176.8 | -70.2 | 175.9 | 0 | 0 | 0 | 112.3 | T391 H392 L397 D398 | T391-L395 HydrophobicContact CG2-CD1 3.67Å; T391-L395 HydrophobicContact CG2-CG 4.23Å; T391-L395 WeakPolarHBondContact O-CB 3.27Å; T391-L395 WeakPolarHBondContact O-CG 3.37Å; T391-L395 PolarHBondContact O-N 3.39Å; H392-L395 PolarHBondContact O-N 2.94Å; L395-L397 PolarHBondContact O-N 3.14Å; L395-D398 WeakPolarHBondContact O-CB 3.32Å; L395-D398 PolarHBondContact O-N 3.05Å |
| 396 | Q | 91.7 | Very high | 94 | Very high | 101 Ų | 101 | 49.8 Ų | 49.8 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.9 | -23.7 | 173.6 | -80.1 | -177.8 | -47.4 | 0 | 0 | 113 | H392 L394 D398 P402 | H392-Q396 PolarHBondContact CD2-OE1 3.33Å; H392-Q396 VanDerWaalsContact NE2-CD 3.29Å; H392-Q396 PolarHBondContact NE2-NE2 3.37Å; H392-Q396 VanDerWaalsContact NE2-NE2 3.19Å; H392-Q396 PolarHBondContact NE2-OE1 3.08Å; H392-Q396 WeakPolarHBondContact O-CB 3.28Å; H392-Q396 WeakPolarHBondContact O-CG 3.33Å; H392-Q396 PolarHBondContact O-N 3.25Å; L394-Q396 VanDerWaalsContact C-N 3.3Å; Q396-D398 PolarHBondContact O-N 3.11Å; Q396-P402 WeakPolarHBondContact O-CB 3.09Å |
| 397 | L | 91.2 | Very high | 94.1 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 18.1 | 178.9 | -64.2 | 175.1 | 0 | 0 | 0 | 113.2 | L393 L394 L395 G399 I403 E406 I420 | L393-L397 WeakPolarHBondContact O-CG 3.39Å; L394-L397 PolarHBondContact O-N 3.42Å; L395-L397 PolarHBondContact O-N 3.14Å; L397-G399 PolarHBondContact O-N 3.14Å; L397-I403 HydrophobicContact CB-CG1 4.35Å; L397-I403 HydrophobicContact CD2-CG1 4.44Å; L397-I403 WeakPolarHBondContact O-CD1 3.45Å; L397-I403 WeakPolarHBondContact O-CG1 3.35Å; L397-E406 HydrophobicContact CD2-CB 4.04Å; L397-E406 HydrophobicContact CD2-CG 4.09Å; L397-I420 HydrophobicContact CD1-CD1 3.52Å; L397-I420 HydrophobicContact CD1-CG1 4.12Å |
| 398 | D | 90.3 | Very high | 94.2 | Very high | 138 Ų | 138 | 47.4 Ų | 47.4 | 74% | 0.738 | 25% | 0.254 | S | S | * | . | trans | -83.7 | 113 | 176.3 | -166 | 11.3 | 0 | 0 | 0 | 111.2 | L395 Q396 | L395-D398 WeakPolarHBondContact O-CB 3.32Å; L395-D398 PolarHBondContact O-N 3.05Å; Q396-D398 PolarHBondContact O-N 3.11Å | ||
| 399 | G | 93.7 | Very high | 94.3 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 37% | 0.371 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 104.2 | 160.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L397 T401 P402 I403 | L397-G399 PolarHBondContact O-N 3.14Å; G399-T401 PolarHBondContact O-N 3.35Å; G399-P402 WeakPolarHBondContact O-CD 3.38Å; G399-I403 VanDerWaalsContact O-CD1 3.27Å; G399-I403 WeakPolarHBondContact O-CD1 3.35Å; G399-I403 WeakPolarHBondContact O-CG1 3.42Å; G399-I403 PolarHBondContact O-N 2.93Å |
| 400 | T | 95.4 | Very high | 94.4 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -32.4 | -174.7 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | T63 C404 | T63-T400 PolarHBondContact OG1-OG1 3.47Å; T400-C404 WeakPolarHBondContact O-CB 3.39Å; T400-C404 PolarHBondContact O-N 3.29Å |
| 401 | T | 97 | Very high | 94.5 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.8 | -51.7 | -177.1 | -47 | 0 | 0 | 0 | 0 | 112.6 | T63 Y125 K127 G399 I403 C404 E405 | T63-T401 HydrophobicContact CG2-CG2 4.23Å; T63-T401 PolarHBondContact OG1-N 3.47Å; T63-T401 PolarHBondContact OG1-OG1 3.47Å; Y125-T401 HydrophobicContact CD2-CG2 4.3Å; Y125-T401 HydrophobicContact CE2-CG2 3.88Å; K127-T401 VanDerWaalsContact CD-OG1 3.24Å; K127-T401 WeakPolarHBondContact CD-OG1 3.43Å; K127-T401 WeakPolarHBondContact CE-OG1 3.19Å; K127-T401 PolarHBondContact NZ-OG1 2.99Å; G399-T401 PolarHBondContact O-N 3.35Å; T401-I403 VanDerWaalsContact C-N 3.28Å; T401-I403 PolarHBondContact O-N 3.37Å; T401-C404 WeakPolarHBondContact O-CB 3.46Å; T401-C404 PolarHBondContact O-N 3.17Å; T401-C404 VanDerWaalsContact O-N 3.16Å; T401-E405 WeakPolarHBondContact O-CB 3.34Å; T401-E405 PolarHBondContact O-N 2.77Å |
| 402 | P | 96.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.1 | -35.4 | 177.5 | -24.4 | 36.2 | 0 | 0 | 0 | 113.2 | Q396 G399 E405 E406 | Q396-P402 WeakPolarHBondContact O-CB 3.09Å; G399-P402 WeakPolarHBondContact O-CD 3.38Å; P402-E405 PolarHBondContact O-N 2.91Å; P402-E406 WeakPolarHBondContact O-CB 3.32Å; P402-E406 PolarHBondContact O-N 2.56Å |
| 403 | I | 95.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -49.9 | 174.5 | -65.3 | 169.6 | 0 | 0 | 0 | 110.3 | E55 W57 A227 L397 G399 T401 E405 E406 I407 | E55-I403 WeakPolarHBondContact OE2-CG2 3.42Å; W57-I403 HydrophobicContact CD2-CD1 4.29Å; W57-I403 HydrophobicContact CZ2-CD1 3.81Å; A227-I403 HydrophobicContact CB-CB 4Å; A227-I403 HydrophobicContact CB-CG2 3.62Å; L397-I403 HydrophobicContact CB-CG1 4.35Å; L397-I403 HydrophobicContact CD2-CG1 4.44Å; L397-I403 WeakPolarHBondContact O-CD1 3.45Å; L397-I403 WeakPolarHBondContact O-CG1 3.35Å; G399-I403 VanDerWaalsContact O-CD1 3.27Å; G399-I403 WeakPolarHBondContact O-CD1 3.35Å; G399-I403 WeakPolarHBondContact O-CG1 3.42Å; G399-I403 PolarHBondContact O-N 2.93Å; T401-I403 VanDerWaalsContact C-N 3.28Å; T401-I403 PolarHBondContact O-N 3.37Å; I403-E405 VanDerWaalsContact C-N 3.32Å; I403-E405 PolarHBondContact O-N 3.13Å; I403-E406 PolarHBondContact O-N 3.09Å; I403-I407 HydrophobicContact CG2-CD1 3.89Å; I403-I407 HydrophobicContact CG2-CG1 4.48Å; I403-I407 VanDerWaalsContact O-CG1 3.25Å; I403-I407 WeakPolarHBondContact O-CG1 3.37Å; I403-I407 PolarHBondContact O-N 2.94Å |
| 404 | C | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 179.1 | -172.2 | 0 | 0 | 0 | 0 | 112 | T63 W67 S225 A227 T400 T401 I407 G408 | T63-C404 HydrophobicContact CG2-CB 3.93Å; T63-C404 PolarHBondContact O-SG 3.41Å; W67-C404 HydrophobicContact CH2-CB 4.37Å; W67-C404 WeakPolarHBondContact CH2-SG 3.38Å; S225-C404 VanDerWaalsContact C-SG 3.51Å; S225-C404 PolarHBondContact O-SG 3.34Å; S225-C404 PolarHBondContact OG-O 2.97Å; A227-C404 HydrophobicContact CB-CB 4Å; T400-C404 WeakPolarHBondContact O-CB 3.39Å; T400-C404 PolarHBondContact O-N 3.29Å; T401-C404 WeakPolarHBondContact O-CB 3.46Å; T401-C404 PolarHBondContact O-N 3.17Å; T401-C404 VanDerWaalsContact O-N 3.16Å; C404-I407 PolarHBondContact O-N 2.86Å; C404-G408 PolarHBondContact O-N 2.65Å |
| 405 | E | 96.7 | Very high | 94.5 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -48.8 | 176.3 | -178.9 | 173.4 | -168.7 | 0 | 0 | 112.7 | W67 Y116 T401 P402 I403 I407 G408 R409 | W67-E405 VanDerWaalsContact CZ2-CA 3.41Å; W67-E405 HydrophobicContact CZ2-CB 4.07Å; W67-E405 HydrophobicContact CZ2-CG 4.43Å; Y116-E405 VanDerWaalsContact OH-CD 3.32Å; Y116-E405 PolarHBondContact OH-OE1 2.83Å; T401-E405 WeakPolarHBondContact O-CB 3.34Å; T401-E405 PolarHBondContact O-N 2.77Å; P402-E405 PolarHBondContact O-N 2.91Å; I403-E405 VanDerWaalsContact C-N 3.32Å; I403-E405 PolarHBondContact O-N 3.13Å; E405-I407 VanDerWaalsContact C-N 3.27Å; E405-I407 PolarHBondContact O-N 3.34Å; E405-G408 PolarHBondContact O-N 3.33Å; E405-R409 VanDerWaalsContact O-CB 3.32Å; E405-R409 WeakPolarHBondContact O-CB 3.33Å; E405-R409 PolarHBondContact O-N 3.04Å |
| 406 | E | 95.5 | Very high | 94.6 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -34.3 | 179.4 | -175.4 | 74.6 | 171.9 | 0 | 0 | 111.1 | L397 P402 I403 R409 H410 R417 | L397-E406 HydrophobicContact CD2-CB 4.04Å; L397-E406 HydrophobicContact CD2-CG 4.09Å; P402-E406 WeakPolarHBondContact O-CB 3.32Å; P402-E406 PolarHBondContact O-N 2.56Å; I403-E406 PolarHBondContact O-N 3.09Å; E406-R409 IonicContact OE1-CZ 3.98Å; E406-R409 IonicContact OE1-NH2 3.36Å; E406-R409 PolarHBondContact OE1-NH2 3.26Å; E406-R409 IonicContact OE2-CZ 3.81Å; E406-R409 VanDerWaalsContact OE2-CZ 3.3Å; E406-R409 IonicContact OE2-NE 3.13Å; E406-R409 PolarHBondContact OE2-NE 2.79Å; E406-R409 IonicContact OE2-NH2 3.91Å; E406-R409 PolarHBondContact OE2-NH2 3.07Å; E406-H410 WeakPolarHBondContact O-CB 3.23Å; E406-H410 VanDerWaalsContact O-CG 3.27Å; E406-H410 PolarHBondContact O-N 2.59Å; E406-H410 IonicContact OE1-CD2 3.52Å; E406-H410 IonicContact OE1-CE1 3.76Å; E406-H410 PolarHBondContact OE1-CE1 3.12Å; E406-H410 IonicContact OE1-NE2 2.85Å; E406-H410 PolarHBondContact OE1-NE2 2.86Å; E406-R417 PolarHBondContact O-NH1 2.97Å |
| 407 | I | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -52.5 | 174.5 | -67.9 | 163.8 | 0 | 0 | 0 | 109.1 | T40 A53 E55 S225 A227 I403 C404 E405 R409 H410 M411 | T40-I407 HydrophobicContact CG2-CD1 4.44Å; T40-I407 HydrophobicContact CG2-CG1 4.33Å; T40-I407 HydrophobicContact CG2-CG2 4.25Å; A53-I407 HydrophobicContact CB-CG2 3.45Å; A53-I407 VanDerWaalsContact CB-CG2 3.45Å; E55-I407 HydrophobicContact CB-CD1 4.02Å; E55-I407 HydrophobicContact CG-CD1 3.66Å; S225-I407 VanDerWaalsContact OG-CB 3.25Å; S225-I407 WeakPolarHBondContact OG-CB 3.38Å; S225-I407 VanDerWaalsContact OG-CG2 3.23Å; S225-I407 WeakPolarHBondContact OG-CG2 3.05Å; A227-I407 HydrophobicContact CB-CD1 4.44Å; I403-I407 HydrophobicContact CG2-CD1 3.89Å; I403-I407 HydrophobicContact CG2-CG1 4.48Å; I403-I407 VanDerWaalsContact O-CG1 3.25Å; I403-I407 WeakPolarHBondContact O-CG1 3.37Å; I403-I407 PolarHBondContact O-N 2.94Å; C404-I407 PolarHBondContact O-N 2.86Å; E405-I407 VanDerWaalsContact C-N 3.27Å; E405-I407 PolarHBondContact O-N 3.34Å; I407-R409 PolarHBondContact O-N 2.7Å; I407-H410 PolarHBondContact O-N 2.73Å; I407-M411 HydrophobicContact CG2-CG 4.27Å; I407-M411 WeakPolarHBondContact O-CB 3.45Å; I407-M411 VanDerWaalsContact O-CG 3.25Å; I407-M411 WeakPolarHBondContact O-CG 3.3Å; I407-M411 PolarHBondContact O-N 3.28Å |
| 408 | G | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | S225 C404 E405 H410 M411 L412 | S225-G408 PolarHBondContact OG-N 2.69Å; C404-G408 PolarHBondContact O-N 2.65Å; E405-G408 PolarHBondContact O-N 3.33Å; G408-H410 PolarHBondContact O-N 2.61Å; G408-M411 PolarHBondContact O-N 3.12Å; G408-L412 PolarHBondContact O-N 3.24Å |
| 409 | R | 95 | Very high | 94.8 | Very high | 39 Ų | 39 | 31.1 Ų | 31.1 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 176.4 | -169.1 | -171.6 | 66.2 | 73 | -3.8 | 112 | M121 E405 E406 I407 M411 L412 V413 | M121-R409 HydrophobicContact SD-CG 4.5Å; E405-R409 VanDerWaalsContact O-CB 3.32Å; E405-R409 WeakPolarHBondContact O-CB 3.33Å; E405-R409 PolarHBondContact O-N 3.04Å; E406-R409 IonicContact OE1-CZ 3.98Å; E406-R409 IonicContact OE1-NH2 3.36Å; E406-R409 PolarHBondContact OE1-NH2 3.26Å; E406-R409 IonicContact OE2-CZ 3.81Å; E406-R409 VanDerWaalsContact OE2-CZ 3.3Å; E406-R409 IonicContact OE2-NE 3.13Å; E406-R409 PolarHBondContact OE2-NE 2.79Å; E406-R409 IonicContact OE2-NH2 3.91Å; E406-R409 PolarHBondContact OE2-NH2 3.07Å; I407-R409 PolarHBondContact O-N 2.7Å; R409-M411 VanDerWaalsContact C-N 3.33Å; R409-M411 PolarHBondContact O-N 2.77Å; R409-L412 PolarHBondContact O-N 2.93Å; R409-V413 HydrophobicContact CG-CG2 4.28Å; R409-V413 VanDerWaalsContact O-CB 3.29Å; R409-V413 WeakPolarHBondContact O-CB 3.43Å; R409-V413 VanDerWaalsContact O-CG2 3.27Å; R409-V413 WeakPolarHBondContact O-CG2 3.44Å; R409-V413 PolarHBondContact O-N 3.21Å |
| 410 | H | 95.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 178 | -82.2 | -175.6 | 0 | 0 | 0 | 113 | E406 I407 G408 V413 Y414 G415 R416 | E406-H410 WeakPolarHBondContact O-CB 3.23Å; E406-H410 VanDerWaalsContact O-CG 3.27Å; E406-H410 PolarHBondContact O-N 2.59Å; E406-H410 IonicContact OE1-CD2 3.52Å; E406-H410 IonicContact OE1-CE1 3.76Å; E406-H410 PolarHBondContact OE1-CE1 3.12Å; E406-H410 IonicContact OE1-NE2 2.85Å; E406-H410 PolarHBondContact OE1-NE2 2.86Å; I407-H410 PolarHBondContact O-N 2.73Å; G408-H410 PolarHBondContact O-N 2.61Å; H410-V413 PolarHBondContact O-N 3.41Å; H410-Y414 HydrophobicContact CB-CD2 4.17Å; H410-Y414 AromaticContact CD2-CD2 3.55Å; H410-Y414 AromaticContact CD2-CE2 3.37Å; H410-Y414 WeakPolarHBondContact CD2-CE2 3.44Å; H410-Y414 AromaticContact CG-CD2 3.91Å; H410-Y414 AromaticContact NE2-CE2 3.51Å; H410-Y414 WeakPolarHBondContact O-CA 3.47Å; H410-Y414 WeakPolarHBondContact O-CB 3.3Å; H410-Y414 PolarHBondContact O-N 3.01Å; H410-G415 PolarHBondContact O-N 3.16Å; H410-R416 CarbonylContact C-O 3.57Å |
| 411 | M | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 177.1 | -70.9 | -54.1 | -58 | 0 | 0 | 112.1 | V42 R51 A53 V223 I407 G408 R409 G415 | V42-M411 HydrophobicContact CG1-CE 3.62Å; V42-M411 HydrophobicContact CG1-SD 4.45Å; V42-M411 HydrophobicContact CG2-CE 4.26Å; V42-M411 HydrophobicContact CG2-SD 4.01Å; R51-M411 PolarHBondContact NH1-O 3.07Å; A53-M411 HydrophobicContact CB-CG 3.81Å; A53-M411 HydrophobicContact CB-SD 4.33Å; V223-M411 HydrophobicContact CB-CB 4.34Å; V223-M411 HydrophobicContact CG1-CB 3.76Å; V223-M411 HydrophobicContact CG1-CG 4.12Å; V223-M411 HydrophobicContact CG2-CB 3.85Å; I407-M411 HydrophobicContact CG2-CG 4.27Å; I407-M411 WeakPolarHBondContact O-CB 3.45Å; I407-M411 VanDerWaalsContact O-CG 3.25Å; I407-M411 WeakPolarHBondContact O-CG 3.3Å; I407-M411 PolarHBondContact O-N 3.28Å; G408-M411 PolarHBondContact O-N 3.12Å; R409-M411 VanDerWaalsContact C-N 3.33Å; R409-M411 PolarHBondContact O-N 2.77Å; M411-G415 WeakPolarHBondContact CE-O 3.32Å; M411-G415 VanDerWaalsContact O-CA 3.26Å; M411-G415 WeakPolarHBondContact O-CA 3.5Å; M411-G415 PolarHBondContact O-N 2.85Å |
| 412 | L | 93.5 | Very high | 94.1 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 17% | 0.168 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.9 | -48.5 | 173.9 | -69.9 | -169.9 | 0 | 0 | 0 | 111.9 | W67 D69 M121 V223 G408 R409 | W67-L412 HydrophobicContact CB-CD1 3.81Å; W67-L412 HydrophobicContact CB-CG 4.09Å; D69-L412 HydrophobicContact CB-CD1 4.39Å; D69-L412 HydrophobicContact CB-CD2 4.1Å; M121-L412 HydrophobicContact CB-CD1 4.39Å; V223-L412 HydrophobicContact CB-CD2 4.41Å; V223-L412 HydrophobicContact CG2-CD2 3.67Å; V223-L412 HydrophobicContact CG2-CG 4.43Å; G408-L412 PolarHBondContact O-N 3.24Å; R409-L412 PolarHBondContact O-N 2.93Å |
| 413 | V | 92.5 | Very high | 93.9 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -78.8 | -48.9 | -169.4 | 170.3 | 0 | 0 | 0 | 0 | 113 | W290 R409 H410 | W290-V413 HydrophobicContact CB-CG1 3.16Å; W290-V413 HydrophobicContact CD2-CG1 3.76Å; W290-V413 HydrophobicContact CE3-CG1 4.4Å; W290-V413 HydrophobicContact CG-CB 4.41Å; W290-V413 HydrophobicContact CG-CG1 3.2Å; W290-V413 HydrophobicContact CG-CG2 4.32Å; R409-V413 HydrophobicContact CG-CG2 4.28Å; R409-V413 VanDerWaalsContact O-CB 3.29Å; R409-V413 WeakPolarHBondContact O-CB 3.43Å; R409-V413 VanDerWaalsContact O-CG2 3.27Å; R409-V413 WeakPolarHBondContact O-CG2 3.44Å; R409-V413 PolarHBondContact O-N 3.21Å; H410-V413 PolarHBondContact O-N 3.41Å |
| 414 | Y | 92.7 | Very high | 93.7 | Very high | 68 Ų | 68 | 34.8 Ų | 34.8 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -103.1 | -9.7 | -173.6 | -57.9 | -60 | 0 | 0 | 0 | 113.2 | W290 H410 R416 I418 | W290-Y414 HydrophobicContact CB-CE1 4.25Å; W290-Y414 AromaticContact CE3-CZ 3.97Å; W290-Y414 WeakPolarHBondContact O-CE1 3.44Å; H410-Y414 HydrophobicContact CB-CD2 4.17Å; H410-Y414 AromaticContact CD2-CD2 3.55Å; H410-Y414 AromaticContact CD2-CE2 3.37Å; H410-Y414 WeakPolarHBondContact CD2-CE2 3.44Å; H410-Y414 AromaticContact CG-CD2 3.91Å; H410-Y414 AromaticContact NE2-CE2 3.51Å; H410-Y414 WeakPolarHBondContact O-CA 3.47Å; H410-Y414 WeakPolarHBondContact O-CB 3.3Å; H410-Y414 PolarHBondContact O-N 3.01Å; Y414-R416 PolarHBondContact O-N 3.12Å; Y414-I418 HydrophobicContact CD1-CD1 4.38Å; Y414-I418 HydrophobicContact CD2-CD1 3.65Å; Y414-I418 HydrophobicContact CD2-CG1 4.03Å; Y414-I418 HydrophobicContact CE1-CD1 4.28Å; Y414-I418 HydrophobicContact CE2-CD1 3.54Å; Y414-I418 HydrophobicContact CE2-CG1 4.35Å; Y414-I418 HydrophobicContact CG-CD1 4.07Å; Y414-I418 HydrophobicContact CG-CG1 4.45Å |
| 415 | G | 92.6 | Very high | 93.5 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 70.7 | 0 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | H410 M411 | H410-G415 PolarHBondContact O-N 3.16Å; M411-G415 WeakPolarHBondContact CE-O 3.32Å; M411-G415 VanDerWaalsContact O-CA 3.26Å; M411-G415 WeakPolarHBondContact O-CA 3.5Å; M411-G415 PolarHBondContact O-N 2.85Å |
| 416 | R | 94.5 | Very high | 93.4 | Very high | 97 Ų | 97 | 39.3 Ų | 39.3 | 37% | 0.366 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -152.5 | 154.3 | 179.5 | 69 | 176.4 | -174.6 | 106 | -2.6 | 111.1 | H410 Y414 I418 E422 | H410-R416 CarbonylContact C-O 3.57Å; Y414-R416 PolarHBondContact O-N 3.12Å; R416-I418 PolarHBondContact O-N 3.43Å; R416-E422 IonicContact CZ-OE1 3.18Å; R416-E422 IonicContact CZ-OE2 2.84Å; R416-E422 IonicContact NH1-OE1 3.85Å; R416-E422 IonicContact NH1-OE2 3.71Å; R416-E422 PolarHBondContact NH1-OE2 2.97Å; R416-E422 IonicContact NH2-OE1 3.39Å; R416-E422 PolarHBondContact NH2-OE1 2.69Å; R416-E422 IonicContact NH2-OE2 3.63Å; R416-E422 PolarHBondContact NH2-OE2 3.12Å |
| 417 | R | 94.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 122.1 | 163.9 | -179.1 | 73.9 | -172.6 | -150.2 | -7.1 | 109.6 | T40 E406 P419 | T40-R417 HydrophobicContact CG2-CB 3.91Å; T40-R417 HydrophobicContact CG2-CG 4.15Å; T40-R417 WeakPolarHBondContact OG1-CG 3.25Å; E406-R417 PolarHBondContact O-NH1 2.97Å; R417-P419 WeakPolarHBondContact O-CD 3.28Å |
| 418 | I | 92.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 120.3 | 169.9 | -58.2 | 176.8 | 0 | 0 | 0 | 108.1 | Y414 R416 E422 L423 | Y414-I418 HydrophobicContact CD1-CD1 4.38Å; Y414-I418 HydrophobicContact CD2-CD1 3.65Å; Y414-I418 HydrophobicContact CD2-CG1 4.03Å; Y414-I418 HydrophobicContact CE1-CD1 4.28Å; Y414-I418 HydrophobicContact CE2-CD1 3.54Å; Y414-I418 HydrophobicContact CE2-CG1 4.35Å; Y414-I418 HydrophobicContact CG-CD1 4.07Å; Y414-I418 HydrophobicContact CG-CG1 4.45Å; R416-I418 PolarHBondContact O-N 3.43Å; I418-E422 HydrophobicContact CG2-CB 4.28Å; I418-E422 HydrophobicContact CG2-CG 4.42Å; I418-L423 HydrophobicContact CG2-CB 4.22Å |
| 419 | P | 91 | Very high | 93.2 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -61.1 | 143.4 | 174.5 | -21.8 | 33.9 | 0 | 0 | 0 | 111.2 | R417 T421 E422 L423 | R417-P419 WeakPolarHBondContact O-CD 3.28Å; P419-T421 VanDerWaalsContact C-N 3.26Å; P419-T421 PolarHBondContact O-N 3.32Å; P419-E422 HydrophobicContact CB-CB 4.28Å; P419-E422 WeakPolarHBondContact CD-OE2 3.5Å; P419-E422 WeakPolarHBondContact O-CB 3.36Å; P419-E422 PolarHBondContact O-N 3.29Å; P419-E422 VanDerWaalsContact O-N 3.08Å; P419-L423 PolarHBondContact O-N 3.1Å |
| 420 | I | 90.3 | Very high | 93.3 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -39 | -179.1 | -67.9 | 170.7 | 0 | 0 | 0 | 111.2 | M37 L394 L397 E422 L423 L424 | M37-I420 HydrophobicContact CE-CD1 3.34Å; M37-I420 HydrophobicContact CG-CD1 4.03Å; M37-I420 HydrophobicContact SD-CD1 3.22Å; M37-I420 WeakPolarHBondContact SD-CD1 3.48Å; L394-I420 HydrophobicContact CD2-CD1 4.48Å; L394-I420 HydrophobicContact CD2-CG2 3.69Å; L397-I420 HydrophobicContact CD1-CD1 3.52Å; L397-I420 HydrophobicContact CD1-CG1 4.12Å; I420-E422 VanDerWaalsContact C-N 3.29Å; I420-E422 PolarHBondContact O-N 3.41Å; I420-L423 PolarHBondContact O-N 3.2Å; I420-L424 HydrophobicContact CG2-CD1 3.82Å; I420-L424 HydrophobicContact CG2-CG 4.02Å; I420-L424 WeakPolarHBondContact O-CB 3.38Å; I420-L424 VanDerWaalsContact O-CG 3.23Å; I420-L424 WeakPolarHBondContact O-CG 3.22Å; I420-L424 PolarHBondContact O-N 2.87Å |
| 421 | T | 89.6 | Confident | 93.3 | Very high | 91 Ų | 91 | 46 Ų | 46 | 56% | 0.558 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.2 | -41.2 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 112 | P419 A425 | P419-T421 VanDerWaalsContact C-N 3.26Å; P419-T421 PolarHBondContact O-N 3.32Å; T421-A425 WeakPolarHBondContact O-CB 3.41Å; T421-A425 PolarHBondContact O-N 3.31Å |
| 422 | E | 91.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 174.6 | -171.4 | -171.4 | 153 | 0 | 0 | 110.9 | R416 I418 P419 I420 L424 A425 R426 | R416-E422 IonicContact CZ-OE1 3.18Å; R416-E422 IonicContact CZ-OE2 2.84Å; R416-E422 IonicContact NH1-OE1 3.85Å; R416-E422 IonicContact NH1-OE2 3.71Å; R416-E422 PolarHBondContact NH1-OE2 2.97Å; R416-E422 IonicContact NH2-OE1 3.39Å; R416-E422 PolarHBondContact NH2-OE1 2.69Å; R416-E422 IonicContact NH2-OE2 3.63Å; R416-E422 PolarHBondContact NH2-OE2 3.12Å; I418-E422 HydrophobicContact CG2-CB 4.28Å; I418-E422 HydrophobicContact CG2-CG 4.42Å; P419-E422 HydrophobicContact CB-CB 4.28Å; P419-E422 WeakPolarHBondContact CD-OE2 3.5Å; P419-E422 WeakPolarHBondContact O-CB 3.36Å; P419-E422 PolarHBondContact O-N 3.29Å; P419-E422 VanDerWaalsContact O-N 3.08Å; I420-E422 VanDerWaalsContact C-N 3.29Å; I420-E422 PolarHBondContact O-N 3.41Å; E422-L424 PolarHBondContact O-N 2.82Å; E422-A425 PolarHBondContact O-N 2.99Å; E422-R426 VanDerWaalsContact O-CG 3.27Å; E422-R426 WeakPolarHBondContact O-CG 3.2Å; E422-R426 PolarHBondContact O-N 3.25Å; E422-R426 IonicContact OE1-CZ 3.8Å; E422-R426 IonicContact OE1-NE 2.73Å; E422-R426 PolarHBondContact OE1-NE 2.97Å; E422-R426 IonicContact OE1-NH2 2.78Å; E422-R426 PolarHBondContact OE1-NH2 3Å |
| 423 | L | 91.5 | Very high | 93.4 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 179.3 | -176.4 | 60.6 | 0 | 0 | 0 | 111.7 | L296 L393 I418 P419 I420 A425 R426 I427 | L296-L423 HydrophobicContact CD1-CD1 3.79Å; L393-L423 HydrophobicContact CD1-CD2 3.96Å; L393-L423 HydrophobicContact CD1-CG 4.45Å; I418-L423 HydrophobicContact CG2-CB 4.22Å; P419-L423 PolarHBondContact O-N 3.1Å; I420-L423 PolarHBondContact O-N 3.2Å; L423-A425 PolarHBondContact O-N 2.96Å; L423-R426 PolarHBondContact O-N 3.01Å; L423-I427 HydrophobicContact CG-CD1 4.29Å; L423-I427 WeakPolarHBondContact O-CG1 3.37Å; L423-I427 PolarHBondContact O-N 2.93Å |
| 424 | L | 92.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 178.2 | -66.4 | 178.2 | 0 | 0 | 0 | 111.8 | F32 K390 I420 E422 I427 D428 | F32-L424 HydrophobicContact CB-CD1 4.28Å; F32-L424 HydrophobicContact CD1-CD1 4.04Å; F32-L424 HydrophobicContact CD2-CD1 3.81Å; F32-L424 HydrophobicContact CE1-CD1 4.3Å; F32-L424 HydrophobicContact CE2-CD1 4.07Å; F32-L424 HydrophobicContact CG-CD1 3.78Å; F32-L424 HydrophobicContact CZ-CD1 4.3Å; K390-L424 HydrophobicContact CB-CD2 3.98Å; K390-L424 HydrophobicContact CD-CD2 3.92Å; K390-L424 HydrophobicContact CG-CD2 3.57Å; I420-L424 HydrophobicContact CG2-CD1 3.82Å; I420-L424 HydrophobicContact CG2-CG 4.02Å; I420-L424 WeakPolarHBondContact O-CB 3.38Å; I420-L424 VanDerWaalsContact O-CG 3.23Å; I420-L424 WeakPolarHBondContact O-CG 3.22Å; I420-L424 PolarHBondContact O-N 2.87Å; E422-L424 PolarHBondContact O-N 2.82Å; L424-I427 PolarHBondContact O-N 3.26Å; L424-D428 PolarHBondContact O-N 3.28Å |
| 425 | A | 93.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 49% | 0.488 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | T421 E422 L423 I427 D428 A429 | T421-A425 WeakPolarHBondContact O-CB 3.41Å; T421-A425 PolarHBondContact O-N 3.31Å; E422-A425 PolarHBondContact O-N 2.99Å; L423-A425 PolarHBondContact O-N 2.96Å; A425-I427 VanDerWaalsContact C-N 3.35Å; A425-D428 PolarHBondContact O-N 2.75Å; A425-A429 PolarHBondContact O-N 3.17Å |
| 426 | R | 94.6 | Very high | 93.8 | Very high | 113 Ų | 113 | 49.1 Ų | 49.1 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 174.9 | -69.3 | 170.6 | 175 | -125.6 | -1.7 | 111.6 | L296 E422 L423 D428 A429 | L296-R426 HydrophobicContact CD2-CB 3.32Å; L296-R426 HydrophobicContact CD2-CG 4.49Å; E422-R426 VanDerWaalsContact O-CG 3.27Å; E422-R426 WeakPolarHBondContact O-CG 3.2Å; E422-R426 PolarHBondContact O-N 3.25Å; E422-R426 IonicContact OE1-CZ 3.8Å; E422-R426 IonicContact OE1-NE 2.73Å; E422-R426 PolarHBondContact OE1-NE 2.97Å; E422-R426 IonicContact OE1-NH2 2.78Å; E422-R426 PolarHBondContact OE1-NH2 3Å; L423-R426 PolarHBondContact O-N 3.01Å; R426-D428 VanDerWaalsContact C-N 3.34Å; R426-A429 PolarHBondContact O-N 2.77Å |
| 427 | I | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 174.5 | -66.7 | 167.7 | 0 | 0 | 0 | 110.1 | L296 V300 K386 L389 K390 L393 L423 L424 A425 A429 L430 | L296-I427 HydrophobicContact CD1-CD1 4.35Å; L296-I427 HydrophobicContact CD1-CG1 3.78Å; L296-I427 HydrophobicContact CD2-CG1 3.97Å; L296-I427 HydrophobicContact CG-CG1 4.08Å; V300-I427 HydrophobicContact CG2-CG2 4.23Å; K386-I427 HydrophobicContact CB-CG2 3.87Å; K386-I427 HydrophobicContact CD-CG2 4.36Å; K386-I427 WeakPolarHBondContact CE-O 3.35Å; K386-I427 HydrophobicContact CG-CG2 3.79Å; K386-I427 PolarHBondContact NZ-O 3.45Å; L389-I427 HydrophobicContact CD2-CD1 4Å; L389-I427 HydrophobicContact CD2-CG1 4.27Å; L389-I427 HydrophobicContact CG-CD1 4.26Å; K390-I427 HydrophobicContact CG-CD1 4.07Å; K390-I427 HydrophobicContact CG-CG2 4.08Å; L393-I427 HydrophobicContact CD1-CD1 3.77Å; L423-I427 HydrophobicContact CG-CD1 4.29Å; L423-I427 WeakPolarHBondContact O-CG1 3.37Å; L423-I427 PolarHBondContact O-N 2.93Å; L424-I427 PolarHBondContact O-N 3.26Å; A425-I427 VanDerWaalsContact C-N 3.35Å; I427-A429 VanDerWaalsContact C-N 3.31Å; I427-A429 PolarHBondContact O-N 2.92Å; I427-L430 PolarHBondContact O-N 2.55Å |
| 428 | D | 94.6 | Very high | 94 | Very high | 71 Ų | 71 | 50 Ų | 50 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.4 | -32.3 | -179.7 | -81.7 | -35 | 0 | 0 | 0 | 113.9 | K386 K390 L424 A425 R426 L430 | K386-D428 PolarHBondContact NZ-O 2.95Å; K390-D428 WeakPolarHBondContact CE-OD1 3.4Å; K390-D428 IonicContact NZ-OD1 3.25Å; K390-D428 PolarHBondContact NZ-OD1 2.96Å; K390-D428 IonicContact NZ-OD2 3.93Å; K390-D428 PolarHBondContact NZ-OD2 2.78Å; L424-D428 PolarHBondContact O-N 3.28Å; A425-D428 PolarHBondContact O-N 2.75Å; R426-D428 VanDerWaalsContact C-N 3.34Å; D428-L430 PolarHBondContact O-N 3.2Å |
| 429 | A | 95.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 49.4 Ų | 49.4 | 60% | 0.595 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.2 | -19.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | A425 R426 I427 | A425-A429 PolarHBondContact O-N 3.17Å; R426-A429 PolarHBondContact O-N 2.77Å; I427-A429 VanDerWaalsContact C-N 3.31Å; I427-A429 PolarHBondContact O-N 2.92Å |
| 430 | L | 95.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 50 Ų | 50 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | trans | -70.4 | 144.7 | -178.5 | -63.6 | 169.8 | 0 | 0 | 0 | 111.4 | L296 A297 V300 K386 I427 D428 | L296-L430 HydrophobicContact CG-CD1 4.31Å; A297-L430 HydrophobicContact CB-CD1 4.42Å; A297-L430 HydrophobicContact CB-CD2 4.05Å; V300-L430 HydrophobicContact CB-CD1 4.27Å; V300-L430 HydrophobicContact CG2-CD1 3.64Å; K386-L430 WeakPolarHBondContact CE-O 3.46Å; K386-L430 PolarHBondContact NZ-O 3.1Å; I427-L430 PolarHBondContact O-N 2.55Å; D428-L430 PolarHBondContact O-N 3.2Å | ||
| 431 | N | 95.2 | Very high | 94.7 | Very high | 55 Ų | 55 | 54.1 Ų | 54.1 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | trans | -134.9 | 174.1 | 176.5 | 65.2 | 38.6 | 0 | 0 | 0 | 110.2 | E433 H434 I435 | N431-E433 VanDerWaalsContact C-N 3.28Å; N431-E433 PolarHBondContact O-N 3.18Å; N431-E433 PolarHBondContact OD1-N 2.8Å; N431-H434 PolarHBondContact ND2-CE1 3.21Å; N431-H434 PolarHBondContact O-N 3.35Å; N431-H434 PolarHBondContact OD1-N 3.46Å; N431-I435 WeakPolarHBondContact O-CG1 3.48Å; N431-I435 PolarHBondContact O-N 2.8Å | ||
| 432 | A | 96 | Very high | 95 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -35.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q379 I382 K436 | Q379-A432 HydrophobicContact CB-CB 4.43Å; I382-A432 HydrophobicContact CG1-CB 4.15Å; A432-K436 VanDerWaalsContact O-CE 3.28Å; A432-K436 WeakPolarHBondContact O-CE 3.48Å; A432-K436 WeakPolarHBondContact O-CG 3.32Å; A432-K436 PolarHBondContact O-N 3.24Å |
| 433 | E | 96.2 | Very high | 95.1 | Very high | 108 Ų | 108 | 48.9 Ų | 48.9 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.6 | -48.7 | 177.2 | -61.4 | -52.8 | 141.7 | 0 | 0 | 111.5 | N431 I435 K436 E437 | N431-E433 VanDerWaalsContact C-N 3.28Å; N431-E433 PolarHBondContact O-N 3.18Å; N431-E433 PolarHBondContact OD1-N 2.8Å; E433-I435 VanDerWaalsContact C-N 3.3Å; E433-I435 PolarHBondContact O-N 3.38Å; E433-K436 WeakPolarHBondContact O-CB 3.46Å; E433-K436 PolarHBondContact O-N 3.3Å; E433-K436 VanDerWaalsContact O-N 3.08Å; E433-K436 WeakPolarHBondContact OE1-CE 3.46Å; E433-K436 IonicContact OE1-NZ 2.94Å; E433-K436 PolarHBondContact OE1-NZ 3.29Å; E433-K436 VanDerWaalsContact OE2-CE 3.3Å; E433-K436 WeakPolarHBondContact OE2-CE 3.42Å; E433-K436 IonicContact OE2-NZ 2.77Å; E433-K436 PolarHBondContact OE2-NZ 3.5Å; E433-E437 WeakPolarHBondContact O-CG 3.46Å; E433-E437 PolarHBondContact O-N 3.08Å |
| 434 | H | 95.3 | Very high | 95.2 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 38% | 0.375 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 176.2 | -65.5 | 158.6 | 0 | 0 | 0 | 111.6 | N431 K436 E437 I438 | N431-H434 PolarHBondContact ND2-CE1 3.21Å; N431-H434 PolarHBondContact O-N 3.35Å; N431-H434 PolarHBondContact OD1-N 3.46Å; H434-K436 VanDerWaalsContact C-N 3.34Å; H434-K436 PolarHBondContact O-N 3.49Å; H434-E437 PolarHBondContact O-N 3.44Å; H434-I438 VanDerWaalsContact O-CG1 3.31Å; H434-I438 WeakPolarHBondContact O-CG1 3.34Å; H434-I438 PolarHBondContact O-N 3.2Å |
| 435 | I | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -38.3 | 178.6 | -62.1 | -67.8 | 0 | 0 | 0 | 111.1 | A297 V300 A301 V377 I382 N431 E433 I438 C439 | A297-I435 HydrophobicContact CB-CD1 3.94Å; A297-I435 WeakPolarHBondContact O-CD1 3.25Å; V300-I435 HydrophobicContact CB-CD1 4.17Å; V300-I435 HydrophobicContact CG1-CD1 4.12Å; A301-I435 HydrophobicContact CB-CG2 4.47Å; V377-I435 HydrophobicContact CG1-CG2 4.42Å; I382-I435 HydrophobicContact CD1-CB 3.97Å; I382-I435 HydrophobicContact CD1-CG1 3.85Å; I382-I435 HydrophobicContact CD1-CG2 3.84Å; I382-I435 HydrophobicContact CG1-CG1 4.43Å; I382-I435 HydrophobicContact CG2-CG1 4.48Å; N431-I435 WeakPolarHBondContact O-CG1 3.48Å; N431-I435 PolarHBondContact O-N 2.8Å; E433-I435 VanDerWaalsContact C-N 3.3Å; E433-I435 PolarHBondContact O-N 3.38Å; I435-I438 PolarHBondContact O-N 3.23Å; I435-C439 VanDerWaalsContact O-CB 3.32Å; I435-C439 WeakPolarHBondContact O-CB 3.26Å; I435-C439 PolarHBondContact O-N 3.1Å; I435-C439 PolarHBondContact O-SG 2.83Å |
| 436 | K | 95.9 | Very high | 95.4 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.7 | -76.8 | -178.6 | -82.4 | 157.1 | 0 | 111.8 | T375 V377 A432 E433 H434 I438 C439 M440 | T375-K436 WeakPolarHBondContact O-CD 3.42Å; V377-K436 HydrophobicContact CG1-CD 4.27Å; V377-K436 HydrophobicContact CG1-CG 3.61Å; A432-K436 VanDerWaalsContact O-CE 3.28Å; A432-K436 WeakPolarHBondContact O-CE 3.48Å; A432-K436 WeakPolarHBondContact O-CG 3.32Å; A432-K436 PolarHBondContact O-N 3.24Å; E433-K436 WeakPolarHBondContact O-CB 3.46Å; E433-K436 PolarHBondContact O-N 3.3Å; E433-K436 VanDerWaalsContact O-N 3.08Å; E433-K436 WeakPolarHBondContact OE1-CE 3.46Å; E433-K436 IonicContact OE1-NZ 2.94Å; E433-K436 PolarHBondContact OE1-NZ 3.29Å; E433-K436 VanDerWaalsContact OE2-CE 3.3Å; E433-K436 WeakPolarHBondContact OE2-CE 3.42Å; E433-K436 IonicContact OE2-NZ 2.77Å; E433-K436 PolarHBondContact OE2-NZ 3.5Å; H434-K436 VanDerWaalsContact C-N 3.34Å; H434-K436 PolarHBondContact O-N 3.49Å; K436-I438 PolarHBondContact O-N 3.43Å; K436-C439 PolarHBondContact O-N 3.19Å; K436-M440 WeakPolarHBondContact O-CB 3.32Å; K436-M440 WeakPolarHBondContact O-CG 3.23Å; K436-M440 PolarHBondContact O-N 3.43Å |
| 437 | E | 96.4 | Very high | 95.6 | Very high | 120 Ų | 120 | 52.5 Ų | 52.5 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.3 | -46.1 | 178 | -71.3 | 173.2 | 176.5 | 0 | 0 | 111.8 | E433 H434 M440 K441 | E433-E437 WeakPolarHBondContact O-CG 3.46Å; E433-E437 PolarHBondContact O-N 3.08Å; H434-E437 PolarHBondContact O-N 3.44Å; E437-M440 PolarHBondContact O-N 2.92Å; E437-K441 WeakPolarHBondContact O-CB 3.42Å; E437-K441 PolarHBondContact O-N 3.13Å |
| 438 | I | 96.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 177.5 | -65.6 | -53.3 | 0 | 0 | 0 | 111 | D294 A297 L298 H434 I435 K436 M440 K441 Y442 | D294-I438 HydrophobicContact CB-CD1 3.92Å; D294-I438 WeakPolarHBondContact OD1-CD1 3.47Å; A297-I438 HydrophobicContact CB-CB 4.32Å; A297-I438 HydrophobicContact CB-CG1 3.93Å; A297-I438 HydrophobicContact CB-CG2 4.09Å; L298-I438 HydrophobicContact CD2-CG2 3.63Å; L298-I438 HydrophobicContact CG-CG2 3.96Å; H434-I438 VanDerWaalsContact O-CG1 3.31Å; H434-I438 WeakPolarHBondContact O-CG1 3.34Å; H434-I438 PolarHBondContact O-N 3.2Å; I435-I438 PolarHBondContact O-N 3.23Å; K436-I438 PolarHBondContact O-N 3.43Å; I438-M440 VanDerWaalsContact C-N 3.32Å; I438-M440 PolarHBondContact O-N 3.38Å; I438-K441 WeakPolarHBondContact O-CB 3.3Å; I438-K441 PolarHBondContact O-N 3.33Å; I438-K441 VanDerWaalsContact O-N 3.12Å; I438-Y442 HydrophobicContact CD1-CE2 4.5Å; I438-Y442 HydrophobicContact CG2-CD2 3.74Å; I438-Y442 HydrophobicContact CG2-CE2 3.91Å; I438-Y442 VanDerWaalsContact O-CD2 3.23Å; I438-Y442 WeakPolarHBondContact O-CD2 3.49Å; I438-Y442 PolarHBondContact O-N 2.8Å; I438-Y442 VanDerWaalsContact O-N 3.07Å |
| 439 | C | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 176.1 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | M373 C374 I435 K436 K441 Y442 F443 F444 | M373-C439 HydrophobicContact CB-CB 4.45Å; C374-C439 HydrophobicContact CB-CB 4.26Å; C374-C439 VanDerWaalsContact SG-C 3.55Å; C374-C439 PolarHBondContact SG-O 3.06Å; I435-C439 VanDerWaalsContact O-CB 3.32Å; I435-C439 WeakPolarHBondContact O-CB 3.26Å; I435-C439 PolarHBondContact O-N 3.1Å; I435-C439 PolarHBondContact O-SG 2.83Å; K436-C439 PolarHBondContact O-N 3.19Å; C439-K441 VanDerWaalsContact C-N 3.31Å; C439-K441 PolarHBondContact O-N 3.45Å; C439-Y442 PolarHBondContact O-N 3.37Å; C439-F443 HydrophobicContact CB-CD2 3.81Å; C439-F443 HydrophobicContact CB-CE2 4.16Å; C439-F443 WeakPolarHBondContact O-CB 3.44Å; C439-F443 PolarHBondContact O-N 2.81Å; C439-F444 PolarHBondContact O-N 3.31Å |
| 440 | M | 95.7 | Very high | 96 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 173.7 | -83.3 | -66.9 | -165.6 | 0 | 0 | 111.9 | C374 T375 K436 E437 I438 F444 L474 | C374-M440 HydrophobicContact CB-CE 4.12Å; C374-M440 HydrophobicContact CB-CG 3.95Å; C374-M440 HydrophobicContact CB-SD 3.79Å; T375-M440 HydrophobicContact CG2-CE 3.6Å; K436-M440 WeakPolarHBondContact O-CB 3.32Å; K436-M440 WeakPolarHBondContact O-CG 3.23Å; K436-M440 PolarHBondContact O-N 3.43Å; E437-M440 PolarHBondContact O-N 2.92Å; I438-M440 VanDerWaalsContact C-N 3.32Å; I438-M440 PolarHBondContact O-N 3.38Å; M440-F444 HydrophobicContact CE-CD2 4.2Å; M440-F444 HydrophobicContact CE-CE2 4.42Å; M440-F444 HydrophobicContact CE-CG 4.41Å; M440-F444 WeakPolarHBondContact O-CB 3.25Å; M440-F444 HydrophobicContact SD-CB 3.46Å; M440-F444 WeakPolarHBondContact SD-CB 3.26Å; M440-F444 HydrophobicContact SD-CD1 3.89Å; M440-F444 HydrophobicContact SD-CD2 3.69Å; M440-F444 HydrophobicContact SD-CE2 4.4Å; M440-F444 HydrophobicContact SD-CG 3.39Å; M440-F444 WeakPolarHBondContact SD-CG 3.42Å; M440-L474 HydrophobicContact CE-CD1 4.49Å |
| 441 | K | 96.4 | Very high | 96.1 | Very high | 111 Ų | 111 | 44.5 Ų | 44.5 | 48% | 0.483 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 179.6 | 179.3 | 178.7 | 171.7 | -174.7 | 0 | 112.9 | D294 E437 I438 C439 K446 | D294-K441 IonicContact OD2-NZ 3.94Å; D294-K441 PolarHBondContact OD2-NZ 3.28Å; E437-K441 WeakPolarHBondContact O-CB 3.42Å; E437-K441 PolarHBondContact O-N 3.13Å; I438-K441 WeakPolarHBondContact O-CB 3.3Å; I438-K441 PolarHBondContact O-N 3.33Å; I438-K441 VanDerWaalsContact O-N 3.12Å; C439-K441 VanDerWaalsContact C-N 3.31Å; C439-K441 PolarHBondContact O-N 3.45Å; K441-K446 WeakPolarHBondContact O-CE 2.99Å |
| 442 | Y | 96.2 | Very high | 96.3 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -102.6 | -20 | -170.4 | -65.7 | -74.4 | 0 | 0 | 0 | 115.2 | E286 P288 D294 L298 I438 C439 K446 | E286-Y442 WeakPolarHBondContact O-CD1 3.24Å; P288-Y442 HydrophobicContact CB-CE1 4.29Å; P288-Y442 HydrophobicContact CG-CE1 4.33Å; D294-Y442 HydrophobicContact CB-CE2 3.84Å; D294-Y442 WeakPolarHBondContact OD2-CE2 3.28Å; D294-Y442 PolarHBondContact OD2-OH 2.9Å; L298-Y442 HydrophobicContact CD1-CD2 4.24Å; L298-Y442 HydrophobicContact CD1-CG 4.48Å; L298-Y442 HydrophobicContact CD2-CD2 4.33Å; I438-Y442 HydrophobicContact CD1-CE2 4.5Å; I438-Y442 HydrophobicContact CG2-CD2 3.74Å; I438-Y442 HydrophobicContact CG2-CE2 3.91Å; I438-Y442 VanDerWaalsContact O-CD2 3.23Å; I438-Y442 WeakPolarHBondContact O-CD2 3.49Å; I438-Y442 PolarHBondContact O-N 2.8Å; I438-Y442 VanDerWaalsContact O-N 3.07Å; C439-Y442 PolarHBondContact O-N 3.37Å; Y442-K446 VanDerWaalsContact O-CG 3.29Å; Y442-K446 WeakPolarHBondContact O-CG 3.34Å |
| 443 | F | 93.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -39 | -173.4 | -48.7 | -42.3 | 0 | 0 | 0 | 113.7 | F285 L298 W348 M373 C439 D445 K446 | F285-F443 HydrophobicContact CB-CD1 3.7Å; F285-F443 HydrophobicContact CB-CE1 3.98Å; F285-F443 HydrophobicContact CD1-CD1 4.34Å; F285-F443 AromaticContact CD2-CD1 3.9Å; F285-F443 HydrophobicContact CD2-CD1 3.9Å; F285-F443 HydrophobicContact CD2-CE1 4.49Å; F285-F443 AromaticContact CG-CD1 3.72Å; F285-F443 HydrophobicContact CG-CD1 3.72Å; F285-F443 HydrophobicContact CG-CE1 4.39Å; L298-F443 HydrophobicContact CD2-CE2 3.99Å; L298-F443 HydrophobicContact CD2-CZ 3.53Å; W348-F443 HydrophobicContact CB-CE1 4.25Å; W348-F443 HydrophobicContact CB-CZ 4.49Å; W348-F443 AromaticContact CD2-CE1 3.54Å; W348-F443 HydrophobicContact CD2-CE1 3.54Å; W348-F443 HydrophobicContact CD2-CE2 4.18Å; W348-F443 AromaticContact CD2-CZ 3.2Å; W348-F443 HydrophobicContact CD2-CZ 3.2Å; W348-F443 AromaticContact CE2-CZ 3.49Å; W348-F443 VanDerWaalsContact CE2-CZ 3.49Å; W348-F443 HydrophobicContact CE3-CD1 4.01Å; W348-F443 AromaticContact CE3-CE1 3.18Å; W348-F443 HydrophobicContact CE3-CE1 3.18Å; W348-F443 AromaticContact CE3-CE2 3.99Å; W348-F443 HydrophobicContact CE3-CE2 3.99Å; W348-F443 AromaticContact CE3-CZ 3.17Å; W348-F443 HydrophobicContact CE3-CZ 3.17Å; W348-F443 HydrophobicContact CG-CE1 4.03Å; W348-F443 AromaticContact CG-CZ 3.83Å; W348-F443 HydrophobicContact CG-CZ 3.83Å; W348-F443 HydrophobicContact CH2-CD2 4.49Å; W348-F443 HydrophobicContact CH2-CE1 4.46Å; W348-F443 AromaticContact CH2-CE2 3.78Å; W348-F443 HydrophobicContact CH2-CE2 3.78Å; W348-F443 AromaticContact CH2-CZ 3.77Å; W348-F443 HydrophobicContact CH2-CZ 3.77Å; W348-F443 AromaticContact CZ2-CE2 3.92Å; W348-F443 HydrophobicContact CZ2-CE2 3.92Å; W348-F443 AromaticContact CZ2-CZ 3.76Å; W348-F443 HydrophobicContact CZ2-CZ 3.76Å; W348-F443 HydrophobicContact CZ3-CD1 4.22Å; W348-F443 HydrophobicContact CZ3-CD2 4.32Å; W348-F443 AromaticContact CZ3-CE1 3.71Å; W348-F443 HydrophobicContact CZ3-CE1 3.71Å; W348-F443 AromaticContact CZ3-CE2 3.8Å; W348-F443 HydrophobicContact CZ3-CE2 3.8Å; W348-F443 AromaticContact CZ3-CZ 3.47Å; W348-F443 HydrophobicContact CZ3-CZ 3.47Å; W348-F443 VanDerWaalsContact CZ3-CZ 3.47Å; M373-F443 HydrophobicContact CE-CD2 4.31Å; M373-F443 HydrophobicContact CE-CE2 4.02Å; C439-F443 HydrophobicContact CB-CD2 3.81Å; C439-F443 HydrophobicContact CB-CE2 4.16Å; C439-F443 WeakPolarHBondContact O-CB 3.44Å; C439-F443 PolarHBondContact O-N 2.81Å; F443-D445 PolarHBondContact O-N 3.44Å; F443-K446 PolarHBondContact O-N 3.01Å |
| 444 | F | 94 | Very high | 96.4 | Very high | 52 Ų | 52 | 37 Ų | 37 | 23% | 0.228 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 124.1 | -174.6 | -169.4 | -94.4 | 0 | 0 | 0 | 111.2 | V371 C439 M440 K446 W470 L474 | V371-F444 HydrophobicContact CG1-CD2 4.26Å; V371-F444 HydrophobicContact CG1-CE2 4.25Å; C439-F444 PolarHBondContact O-N 3.31Å; M440-F444 HydrophobicContact CE-CD2 4.2Å; M440-F444 HydrophobicContact CE-CE2 4.42Å; M440-F444 HydrophobicContact CE-CG 4.41Å; M440-F444 WeakPolarHBondContact O-CB 3.25Å; M440-F444 HydrophobicContact SD-CB 3.46Å; M440-F444 WeakPolarHBondContact SD-CB 3.26Å; M440-F444 HydrophobicContact SD-CD1 3.89Å; M440-F444 HydrophobicContact SD-CD2 3.69Å; M440-F444 HydrophobicContact SD-CE2 4.4Å; M440-F444 HydrophobicContact SD-CG 3.39Å; M440-F444 WeakPolarHBondContact SD-CG 3.42Å; F444-K446 PolarHBondContact O-N 3.04Å; F444-W470 HydrophobicContact CE1-CB 4.39Å; F444-W470 HydrophobicContact CE2-CB 4Å; F444-W470 HydrophobicContact CZ-CB 3.9Å; F444-L474 HydrophobicContact CE2-CD1 3.47Å; F444-L474 VanDerWaalsContact CE2-CD1 3.47Å; F444-L474 HydrophobicContact CZ-CD1 3.81Å |
| 445 | D | 94.5 | Very high | 96.4 | Very high | 79 Ų | 79 | 33.3 Ų | 33.3 | 42% | 0.422 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 31.4 | -178.6 | -164.2 | 42.6 | 0 | 0 | 0 | 113.6 | F443 R466 T469 W470 | F443-D445 PolarHBondContact O-N 3.44Å; D445-R466 VanDerWaalsContact CG-NH2 3.29Å; D445-R466 PolarHBondContact O-NH2 2.96Å; D445-R466 IonicContact OD1-CZ 3.38Å; D445-R466 IonicContact OD1-NH1 3.7Å; D445-R466 PolarHBondContact OD1-NH1 2.85Å; D445-R466 IonicContact OD1-NH2 3.49Å; D445-R466 PolarHBondContact OD1-NH2 2.82Å; D445-R466 IonicContact OD2-NH2 3.44Å; D445-T469 PolarHBondContact N-O 2.89Å; D445-W470 HydrophobicContact CB-CB 4.47Å |
| 446 | K | 96.2 | Very high | 96.4 | Very high | 95 Ų | 95 | 33.5 Ų | 33.5 | 41% | 0.413 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -99.5 | 150.6 | 175.9 | -60.2 | -49.3 | -175.4 | -176.6 | 0 | 111.5 | F285 K441 Y442 F443 F444 P448 R466 T469 | F285-K446 HydrophobicContact CD1-CB 3.81Å; F285-K446 HydrophobicContact CE1-CB 4.1Å; K441-K446 WeakPolarHBondContact O-CE 2.99Å; Y442-K446 VanDerWaalsContact O-CG 3.29Å; Y442-K446 WeakPolarHBondContact O-CG 3.34Å; F443-K446 PolarHBondContact O-N 3.01Å; F444-K446 PolarHBondContact O-N 3.04Å; K446-P448 WeakPolarHBondContact O-CD 3.34Å; K446-R466 WeakPolarHBondContact O-CD 3.46Å; K446-T469 PolarHBondContact O-OG1 3.29Å |
| 447 | C | 97.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 36.7 Ų | 36.7 | 42% | 0.419 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -82.1 | 117.7 | 175 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | F264 R466 | F264-C447 WeakPolarHBondContact CE1-O 3.45Å; C447-R466 PolarHBondContact SG-NE 3.23Å |
| 448 | P | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 159.9 | 176.9 | 31.8 | -32.4 | 0 | 0 | 0 | 111.6 | G266 S267 I283 A284 F285 K446 V450 Y462 I465 T469 | G266-P448 CarbonylContact C-O 3.55Å; G266-P448 VanDerWaalsContact CA-O 3.23Å; G266-P448 WeakPolarHBondContact CA-O 3.42Å; S267-P448 PolarHBondContact N-O 3Å; I283-P448 HydrophobicContact CG2-CB 3.97Å; A284-P448 CarbonylContact O-C 3.51Å; A284-P448 VanDerWaalsContact O-CA 3.26Å; A284-P448 WeakPolarHBondContact O-CA 3.33Å; A284-P448 WeakPolarHBondContact O-CB 3.22Å; F285-P448 HydrophobicContact CD1-CB 4.24Å; F285-P448 HydrophobicContact CE1-CB 3.87Å; F285-P448 HydrophobicContact CE1-CG 4.39Å; F285-P448 HydrophobicContact CE2-CB 4.26Å; F285-P448 HydrophobicContact CZ-CB 3.88Å; F285-P448 HydrophobicContact CZ-CG 4.4Å; K446-P448 WeakPolarHBondContact O-CD 3.34Å; P448-V450 HydrophobicContact CG-CG2 4.43Å; P448-Y462 VanDerWaalsContact O-CE2 3.29Å; P448-Y462 WeakPolarHBondContact O-CE2 3.46Å; P448-Y462 PolarHBondContact O-OH 3.45Å; P448-I465 HydrophobicContact CG-CG2 3.64Å; P448-T469 HydrophobicContact CG-CG2 4.45Å |
| 449 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L180 T183 A184 F264 S267 I283 A284 | L180-A449 HydrophobicContact CD1-CB 4.01Å; T183-A449 HydrophobicContact CG2-CB 4.28Å; A184-A449 HydrophobicContact CB-CB 3.6Å; F264-A449 HydrophobicContact CE2-CB 4.06Å; F264-A449 HydrophobicContact CZ-CB 3.67Å; S267-A449 CarbonylContact O-C 3.6Å; S267-A449 VanDerWaalsContact O-CA 3.31Å; S267-A449 WeakPolarHBondContact O-CA 3.37Å; I283-A449 WeakPolarHBondContact CA-O 3.45Å; A284-A449 PolarHBondContact N-O 3.4Å; A284-A449 PolarHBondContact O-N 3.29Å |
| 450 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.7 | -175.1 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | S267 E268 I269 A282 I283 P448 M459 Y462 I465 | S267-V450 PolarHBondContact O-N 3.2Å; E268-V450 CarbonylContact C-O 3.4Å; E268-V450 WeakPolarHBondContact CA-O 3.33Å; E268-V450 HydrophobicContact CB-CB 4.08Å; I269-V450 PolarHBondContact N-O 2.98Å; A282-V450 WeakPolarHBondContact O-CA 3.37Å; I283-V450 HydrophobicContact CG1-CG1 4.19Å; I283-V450 HydrophobicContact CG1-CG2 4.32Å; I283-V450 HydrophobicContact CG2-CG2 4.34Å; P448-V450 HydrophobicContact CG-CG2 4.43Å; V450-M459 HydrophobicContact CG1-CE 3.59Å; V450-Y462 HydrophobicContact CG2-CD2 4.49Å; V450-Y462 HydrophobicContact CG2-CE2 4.37Å; V450-I465 HydrophobicContact CG1-CD1 4.28Å; V450-I465 HydrophobicContact CG2-CD1 4.14Å; V450-I465 HydrophobicContact CG2-CG2 4.15Å |
| 451 | A | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V176 L180 I269 A281 A282 | V176-A451 HydrophobicContact CG1-CB 4.23Å; L180-A451 HydrophobicContact CB-CB 3.89Å; L180-A451 HydrophobicContact CD1-CB 4.28Å; I269-A451 HydrophobicContact CG2-CB 3.69Å; I269-A451 WeakPolarHBondContact O-CA 3.23Å; A281-A451 CarbonylContact C-O 3.58Å; A281-A451 WeakPolarHBondContact CA-O 3.47Å; A282-A451 PolarHBondContact N-O 3.33Å; A282-A451 PolarHBondContact O-N 3.44Å |
| 452 | S | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 142.2 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | I269 D271 H280 | I269-S452 PolarHBondContact O-N 2.87Å; I269-S452 VanDerWaalsContact O-N 3.12Å; D271-S452 PolarHBondContact N-O 2.93Å; H280-S452 CarbonylContact O-C 3.56Å; H280-S452 WeakPolarHBondContact O-CA 3.49Å |
| 453 | I | 97.2 | Very high | 96.1 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.8 | 175.4 | -170.5 | 169.2 | 0 | 0 | 0 | 111.2 | Y172 V175 V176 D271 M276 H280 | Y172-I453 HydrophobicContact CD1-CD1 4.22Å; V175-I453 HydrophobicContact CG1-CD1 4.19Å; V176-I453 HydrophobicContact CG2-CB 4.28Å; V176-I453 HydrophobicContact CG2-CG2 3.42Å; V176-I453 VanDerWaalsContact CG2-CG2 3.42Å; D271-I453 HydrophobicContact CB-CB 4.26Å; D271-I453 HydrophobicContact CB-CD1 4.46Å; D271-I453 HydrophobicContact CB-CG1 4.01Å; D271-I453 CarbonylContact O-C 3.57Å; D271-I453 VanDerWaalsContact O-CA 3.26Å; D271-I453 WeakPolarHBondContact O-CA 3.32Å; M276-I453 HydrophobicContact SD-CD1 4.41Å; M276-I453 HydrophobicContact SD-CG1 3.93Å; H280-I453 HydrophobicContact CB-CG2 3.77Å; H280-I453 PolarHBondContact N-O 3.05Å; H280-I453 PolarHBondContact O-N 3.46Å |
| 454 | G | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.1 | -149.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D271 D273 M276 V456 | D271-G454 PolarHBondContact O-N 2.73Å; D273-G454 PolarHBondContact N-O 3.45Å; D273-G454 CarbonylContact O-C 3.5Å; D273-G454 VanDerWaalsContact O-CA 3.28Å; D273-G454 WeakPolarHBondContact O-CA 3.35Å; M276-G454 VanDerWaalsContact SD-CA 3.55Å; G454-V456 PolarHBondContact O-N 3.05Å |
| 455 | P | 96.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -76 | 67 | -175.7 | 31.2 | -37.2 | 0 | 0 | 0 | 112.1 | D273 V278 A279 K356 E457 | D273-P455 VanDerWaalsContact O-N 3.12Å; V278-P455 WeakPolarHBondContact O-CD 3.21Å; A279-P455 HydrophobicContact CB-CG 4.18Å; K356-P455 HydrophobicContact CB-CB 3.97Å; K356-P455 HydrophobicContact CB-CG 4.07Å; K356-P455 HydrophobicContact CD-CB 3.9Å; K356-P455 HydrophobicContact CG-CB 3.91Å; P455-E457 VanDerWaalsContact C-N 3.32Å; P455-E457 PolarHBondContact O-N 3.38Å |
| 456 | V | 96.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -91.3 | 17.3 | -170.3 | -60.7 | 0 | 0 | 0 | 0 | 113.9 | R270 R272 A279 L359 G454 T458 M459 | R270-V456 HydrophobicContact CB-CG2 4.37Å; R272-V456 HydrophobicContact CB-CG2 4.06Å; R272-V456 HydrophobicContact CG-CG2 4.37Å; A279-V456 HydrophobicContact CB-CG1 4.13Å; L359-V456 HydrophobicContact CD2-CB 4.11Å; L359-V456 HydrophobicContact CD2-CG1 3.95Å; G454-V456 PolarHBondContact O-N 3.05Å; V456-T458 PolarHBondContact O-N 3Å; V456-M459 HydrophobicContact CB-CB 4.25Å; V456-M459 WeakPolarHBondContact O-CB 3.37Å; V456-M459 PolarHBondContact O-N 3.17Å |
| 457 | E | 94.3 | Very high | 96.2 | Very high | 105 Ų | 105 | 36.5 Ų | 36.5 | 49% | 0.491 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -58.7 | -34 | 179.9 | 179.7 | 170 | -126 | 0 | 0 | 113.2 | R272 K356 P455 M459 | R272-E457 IonicContact CZ-OE1 3.25Å; R272-E457 IonicContact NH1-OE1 2.98Å; R272-E457 PolarHBondContact NH1-OE1 2.77Å; R272-E457 IonicContact NH2-OE1 3.67Å; R272-E457 PolarHBondContact NH2-OE1 3.29Å; R272-E457 IonicContact NH2-OE2 2.85Å; R272-E457 PolarHBondContact NH2-OE2 2.77Å; K356-E457 WeakPolarHBondContact CE-OE2 2.97Å; K356-E457 IonicContact NZ-OE2 2.82Å; K356-E457 PolarHBondContact NZ-OE2 3.24Å; P455-E457 VanDerWaalsContact C-N 3.32Å; P455-E457 PolarHBondContact O-N 3.38Å; E457-M459 VanDerWaalsContact C-N 3.31Å |
| 458 | T | 93.2 | Very high | 96 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 26% | 0.264 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -86.2 | -1.8 | 179.5 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | K356 M357 G360 V456 L460 | K356-T458 WeakPolarHBondContact O-CB 3.37Å; K356-T458 VanDerWaalsContact O-CG2 3.26Å; K356-T458 WeakPolarHBondContact O-CG2 3.38Å; K356-T458 PolarHBondContact O-OG1 2.91Å; M357-T458 HydrophobicContact SD-CG2 4.14Å; G360-T458 WeakPolarHBondContact CA-O 3.49Å; V456-T458 PolarHBondContact O-N 3Å; T458-L460 PolarHBondContact O-N 3.5Å |
| 459 | M | 94.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.034 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -61.9 | 127.3 | 178.1 | -172.6 | 61.9 | 169.3 | 0 | 0 | 109.7 | R270 A281 L359 V363 V450 V456 E457 D461 I465 | R270-M459 PolarHBondContact NH1-O 3.36Å; A281-M459 HydrophobicContact CB-CE 4.41Å; L359-M459 HydrophobicContact CD1-SD 4.28Å; L359-M459 HydrophobicContact CD2-CB 3.88Å; L359-M459 HydrophobicContact CD2-CG 4.37Å; L359-M459 HydrophobicContact CD2-SD 3.86Å; L359-M459 HydrophobicContact CG-SD 3.81Å; V363-M459 HydrophobicContact CB-CE 4.47Å; V363-M459 HydrophobicContact CB-SD 4.4Å; V363-M459 HydrophobicContact CG1-CE 4.09Å; V363-M459 HydrophobicContact CG1-SD 4.46Å; V363-M459 HydrophobicContact CG2-CE 3.78Å; V363-M459 HydrophobicContact CG2-SD 3.73Å; V450-M459 HydrophobicContact CG1-CE 3.59Å; V456-M459 HydrophobicContact CB-CB 4.25Å; V456-M459 WeakPolarHBondContact O-CB 3.37Å; V456-M459 PolarHBondContact O-N 3.17Å; E457-M459 VanDerWaalsContact C-N 3.31Å; M459-D461 PolarHBondContact O-N 2.74Å; M459-I465 HydrophobicContact CE-CD1 3.95Å |
| 460 | L | 94.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -52.2 | 136 | 175.7 | -63.4 | 176.9 | 0 | 0 | 0 | 110 | R270 G360 V363 T458 R464 I465 K468 | R270-L460 PolarHBondContact NH2-O 2.61Å; G360-L460 WeakPolarHBondContact O-CD1 3.38Å; V363-L460 HydrophobicContact CG1-CD1 4.41Å; T458-L460 PolarHBondContact O-N 3.5Å; L460-R464 HydrophobicContact CB-CB 4.29Å; L460-I465 HydrophobicContact CB-CD1 4.34Å; L460-I465 HydrophobicContact CB-CG1 3.79Å; L460-I465 WeakPolarHBondContact O-CD1 3.46Å; L460-K468 HydrophobicContact CD1-CD 3.88Å |
| 461 | D | 95.2 | Very high | 94.5 | Very high | 57 Ų | 57 | 44.8 Ų | 44.8 | 31% | 0.305 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 154.9 | 172.4 | 61.8 | -54 | 0 | 0 | 0 | 111.5 | R270 M459 N463 R464 I465 | R270-D461 VanDerWaalsContact NH2-CA 3.3Å; M459-D461 PolarHBondContact O-N 2.74Å; D461-N463 PolarHBondContact O-N 3.34Å; D461-N463 VanDerWaalsContact O-N 3.15Å; D461-R464 PolarHBondContact O-N 3.47Å; D461-R464 VanDerWaalsContact OD1-CB 3.28Å; D461-R464 WeakPolarHBondContact OD1-CB 3.45Å; D461-R464 WeakPolarHBondContact OD1-CD 3.2Å; D461-R464 WeakPolarHBondContact OD1-CG 3.26Å; D461-R464 IonicContact OD1-CZ 3.81Å; D461-R464 IonicContact OD1-NE 2.7Å; D461-R464 PolarHBondContact OD1-NE 3.11Å; D461-I465 PolarHBondContact O-N 2.86Å |
| 462 | Y | 97.1 | Very high | 93.1 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.6 | -38.2 | -176.3 | -168.8 | -97.5 | 0 | 0 | 0 | 113.1 | G266 S267 E268 P448 V450 I465 R466 | G266-Y462 VanDerWaalsContact CA-OH 3.32Å; G266-Y462 WeakPolarHBondContact CA-OH 3.49Å; G266-Y462 PolarHBondContact O-OH 3.07Å; S267-Y462 PolarHBondContact N-OH 3.36Å; E268-Y462 HydrophobicContact CB-CD2 3.88Å; E268-Y462 HydrophobicContact CG-CD2 4.1Å; E268-Y462 HydrophobicContact CG-CG 4.48Å; P448-Y462 VanDerWaalsContact O-CE2 3.29Å; P448-Y462 WeakPolarHBondContact O-CE2 3.46Å; P448-Y462 PolarHBondContact O-OH 3.45Å; V450-Y462 HydrophobicContact CG2-CD2 4.49Å; V450-Y462 HydrophobicContact CG2-CE2 4.37Å; Y462-I465 WeakPolarHBondContact O-CB 3.03Å; Y462-I465 PolarHBondContact O-N 2.81Å; Y462-R466 WeakPolarHBondContact O-CB 3.28Å; Y462-R466 PolarHBondContact O-N 3.26Å |
| 463 | N | 96.2 | Very high | 91.3 | Very high | 112 Ų | 112 | 60 Ų | 60 | 60% | 0.599 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 177.9 | -63.4 | -49.8 | 0 | 0 | 0 | 111.3 | D461 I465 R466 D467 | D461-N463 PolarHBondContact O-N 3.34Å; D461-N463 VanDerWaalsContact O-N 3.15Å; N463-I465 VanDerWaalsContact C-N 3.31Å; N463-I465 PolarHBondContact O-N 3Å; N463-R466 PolarHBondContact O-N 3.38Å; N463-D467 WeakPolarHBondContact O-CB 3.37Å; N463-D467 PolarHBondContact O-N 3.04Å |
| 464 | R | 94.8 | Very high | 89.2 | Confident | 150 Ų | 150 | 65.3 Ų | 65.3 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.6 | -33.5 | 176.1 | -72.5 | -177.4 | -162.7 | 173.5 | -0.3 | 113.1 | L460 D461 K468 | L460-R464 HydrophobicContact CB-CB 4.29Å; D461-R464 PolarHBondContact O-N 3.47Å; D461-R464 VanDerWaalsContact OD1-CB 3.28Å; D461-R464 WeakPolarHBondContact OD1-CB 3.45Å; D461-R464 WeakPolarHBondContact OD1-CD 3.2Å; D461-R464 WeakPolarHBondContact OD1-CG 3.26Å; D461-R464 IonicContact OD1-CZ 3.81Å; D461-R464 IonicContact OD1-NE 2.7Å; D461-R464 PolarHBondContact OD1-NE 3.11Å; R464-K468 WeakPolarHBondContact O-CG 3.21Å; R464-K468 PolarHBondContact O-N 2.87Å |
| 465 | I | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 172.6 | -71.5 | 173.1 | 0 | 0 | 0 | 109.6 | V363 L367 P448 V450 M459 L460 D461 Y462 N463 D467 K468 | V363-I465 HydrophobicContact CG1-CD1 4.45Å; V363-I465 HydrophobicContact CG1-CG1 4.34Å; L367-I465 HydrophobicContact CD1-CB 4.26Å; L367-I465 HydrophobicContact CD1-CG1 4.36Å; L367-I465 HydrophobicContact CD1-CG2 3.86Å; P448-I465 HydrophobicContact CG-CG2 3.64Å; V450-I465 HydrophobicContact CG1-CD1 4.28Å; V450-I465 HydrophobicContact CG2-CD1 4.14Å; V450-I465 HydrophobicContact CG2-CG2 4.15Å; M459-I465 HydrophobicContact CE-CD1 3.95Å; L460-I465 HydrophobicContact CB-CD1 4.34Å; L460-I465 HydrophobicContact CB-CG1 3.79Å; L460-I465 WeakPolarHBondContact O-CD1 3.46Å; D461-I465 PolarHBondContact O-N 2.86Å; Y462-I465 WeakPolarHBondContact O-CB 3.03Å; Y462-I465 PolarHBondContact O-N 2.81Å; N463-I465 VanDerWaalsContact C-N 3.31Å; N463-I465 PolarHBondContact O-N 3Å; I465-D467 VanDerWaalsContact C-N 3.34Å; I465-D467 PolarHBondContact O-N 3.02Å; I465-K468 PolarHBondContact O-N 2.93Å; I465-K468 VanDerWaalsContact O-N 3.14Å |
| 466 | R | 95.6 | Very high | 88.4 | Confident | 48 Ų | 48 | 72 Ų | 72 | 18% | 0.181 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 178.5 | 179.6 | 57.9 | -179.7 | 74.9 | 3.5 | 112.3 | D445 K446 C447 Y462 N463 K468 T469 | D445-R466 VanDerWaalsContact CG-NH2 3.29Å; D445-R466 PolarHBondContact O-NH2 2.96Å; D445-R466 IonicContact OD1-CZ 3.38Å; D445-R466 IonicContact OD1-NH1 3.7Å; D445-R466 PolarHBondContact OD1-NH1 2.85Å; D445-R466 IonicContact OD1-NH2 3.49Å; D445-R466 PolarHBondContact OD1-NH2 2.82Å; D445-R466 IonicContact OD2-NH2 3.44Å; K446-R466 WeakPolarHBondContact O-CD 3.46Å; C447-R466 PolarHBondContact SG-NE 3.23Å; Y462-R466 WeakPolarHBondContact O-CB 3.28Å; Y462-R466 PolarHBondContact O-N 3.26Å; N463-R466 PolarHBondContact O-N 3.38Å; R466-K468 PolarHBondContact O-N 3.05Å; R466-T469 PolarHBondContact NH1-OG1 3.15Å; R466-T469 WeakPolarHBondContact O-CB 2.76Å; R466-T469 PolarHBondContact O-N 3.26Å; R466-T469 VanDerWaalsContact O-N 3.15Å; R466-T469 PolarHBondContact O-OG1 3.49Å |
| 467 | D | 93.9 | Very high | 87.9 | Confident | 92 Ų | 92 | 75.8 Ų | 75.8 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -28.6 | 176.9 | -74.2 | -15.2 | 0 | 0 | 0 | 112.4 | N463 I465 T469 W470 | N463-D467 WeakPolarHBondContact O-CB 3.37Å; N463-D467 PolarHBondContact O-N 3.04Å; I465-D467 VanDerWaalsContact C-N 3.34Å; I465-D467 PolarHBondContact O-N 3.02Å; D467-T469 VanDerWaalsContact C-N 3.27Å; D467-T469 PolarHBondContact O-N 3.45Å; D467-W470 PolarHBondContact O-NE1 3.3Å |
| 468 | K | 93.2 | Very high | 87.6 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -2.7 | 177.7 | -74.9 | 176.6 | 176.3 | -70.9 | 0 | 114.3 | L367 V371 L460 R464 I465 R466 W470 | L367-K468 HydrophobicContact CB-CB 3.87Å; L367-K468 HydrophobicContact CD1-CB 3.87Å; L367-K468 HydrophobicContact CD1-CD 4.15Å; L367-K468 HydrophobicContact CG-CB 4.49Å; V371-K468 VanDerWaalsContact CG2-O 3.3Å; V371-K468 WeakPolarHBondContact CG2-O 3.21Å; L460-K468 HydrophobicContact CD1-CD 3.88Å; R464-K468 WeakPolarHBondContact O-CG 3.21Å; R464-K468 PolarHBondContact O-N 2.87Å; I465-K468 PolarHBondContact O-N 2.93Å; I465-K468 VanDerWaalsContact O-N 3.14Å; R466-K468 PolarHBondContact O-N 3.05Å; K468-W470 VanDerWaalsContact C-N 3.26Å; K468-W470 PolarHBondContact O-N 3.45Å |
| 469 | T | 93.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.4 | 178 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | F285 L367 V371 D445 K446 P448 R466 D467 | F285-T469 HydrophobicContact CE1-CG2 3.92Å; F285-T469 HydrophobicContact CZ-CG2 3.81Å; L367-T469 HydrophobicContact CD2-CG2 4.43Å; V371-T469 VanDerWaalsContact CG2-C 3.41Å; V371-T469 WeakPolarHBondContact CG2-O 3.49Å; D445-T469 PolarHBondContact N-O 2.89Å; K446-T469 PolarHBondContact O-OG1 3.29Å; P448-T469 HydrophobicContact CG-CG2 4.45Å; R466-T469 PolarHBondContact NH1-OG1 3.15Å; R466-T469 WeakPolarHBondContact O-CB 2.76Å; R466-T469 PolarHBondContact O-N 3.26Å; R466-T469 VanDerWaalsContact O-N 3.15Å; R466-T469 PolarHBondContact O-OG1 3.49Å; D467-T469 VanDerWaalsContact C-N 3.27Å; D467-T469 PolarHBondContact O-N 3.45Å |
| 470 | W | 88.5 | Confident | 86.7 | Confident | 83 Ų | 83 | 80.6 Ų | 80.6 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -144.8 | 161.3 | 175.7 | 58.4 | -79.6 | 0 | 0 | 0 | 109.8 | F444 D445 D467 K468 L472 | F444-W470 HydrophobicContact CE1-CB 4.39Å; F444-W470 HydrophobicContact CE2-CB 4Å; F444-W470 HydrophobicContact CZ-CB 3.9Å; D445-W470 HydrophobicContact CB-CB 4.47Å; D467-W470 PolarHBondContact O-NE1 3.3Å; K468-W470 VanDerWaalsContact C-N 3.26Å; K468-W470 PolarHBondContact O-N 3.45Å; W470-L472 HydrophobicContact CE3-CG 4.32Å; W470-L472 HydrophobicContact CH2-CD1 4.4Å; W470-L472 HydrophobicContact CH2-CD2 3.65Å; W470-L472 HydrophobicContact CH2-CG 3.74Å; W470-L472 HydrophobicContact CZ3-CB 4.36Å; W470-L472 HydrophobicContact CZ3-CD2 3.4Å; W470-L472 VanDerWaalsContact CZ3-CD2 3.4Å; W470-L472 HydrophobicContact CZ3-CG 3.43Å; W470-L472 VanDerWaalsContact CZ3-CG 3.43Å |
| 471 | W | 81.2 | Confident | 86.1 | Confident | 67 Ų | 67 | 84.3 Ų | 84.3 | 25% | 0.254 | 40% | 0.398 | S | S | . | . | trans | -114.2 | 132.1 | 175.3 | -74 | -6.4 | 0 | 0 | 0 | 109.9 | K368 V371 R372 H376 L473 L474 | K368-W471 HydrophobicContact CG-CZ2 4.14Å; K368-W471 WeakPolarHBondContact O-CZ2 3.43Å; V371-W471 HydrophobicContact CB-CD2 4.44Å; V371-W471 HydrophobicContact CB-CZ2 4.32Å; V371-W471 HydrophobicContact CG1-CB 4.29Å; V371-W471 VanDerWaalsContact CG1-CD1 3.47Å; V371-W471 HydrophobicContact CG1-CD2 3.6Å; V371-W471 HydrophobicContact CG1-CE3 4.35Å; V371-W471 HydrophobicContact CG1-CG 3.55Å; V371-W471 HydrophobicContact CG1-CZ2 4.27Å; R372-W471 HydrophobicContact CB-CH2 3.88Å; R372-W471 HydrophobicContact CB-CZ2 4.1Å; R372-W471 HydrophobicContact CG-CH2 4.19Å; H376-W471 AromaticContact CE1-CZ3 3.75Å; H376-W471 AromaticContact ND1-CZ3 3.6Å; W471-L473 PolarHBondContact O-N 3.36Å; W471-L474 HydrophobicContact CB-CD1 4.13Å; W471-L474 HydrophobicContact CB-CG 4.19Å | ||
| 472 | L | 68.5 | Low | 85.5 | Confident | 148 Ų | 148 | 86.4 Ų | 86.4 | 78% | 0.775 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16 | 168.7 | -80.9 | 160.6 | 0 | 0 | 0 | 113.3 | W470 | W470-L472 HydrophobicContact CE3-CG 4.32Å; W470-L472 HydrophobicContact CH2-CD1 4.4Å; W470-L472 HydrophobicContact CH2-CD2 3.65Å; W470-L472 HydrophobicContact CH2-CG 3.74Å; W470-L472 HydrophobicContact CZ3-CB 4.36Å; W470-L472 HydrophobicContact CZ3-CD2 3.4Å; W470-L472 VanDerWaalsContact CZ3-CD2 3.4Å; W470-L472 HydrophobicContact CZ3-CG 3.43Å; W470-L472 VanDerWaalsContact CZ3-CG 3.43Å |
| 473 | L | 60.4 | Low | 84.5 | Confident | 170 Ų | 170 | 90.3 Ų | 90.3 | 89% | 0.89 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 7.6 | -171.6 | -76.1 | 165.4 | 0 | 0 | 0 | 114.1 | W471 | W471-L473 PolarHBondContact O-N 3.36Š|
| 474 | L | 52.2 | Low | 83.4 | Confident | 126 Ų | 126 | 88.3 Ų | 88.3 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | trans | -88.5 | 0 | 167.5 | -67.9 | 163.7 | 0 | 0 | 0 | 109.1 | T375 M440 F444 W471 | T375-L474 HydrophobicContact CG2-CD1 3.58Å; T375-L474 HydrophobicContact CG2-CD2 3.46Å; T375-L474 VanDerWaalsContact CG2-CD2 3.46Å; T375-L474 HydrophobicContact CG2-CG 4.12Å; M440-L474 HydrophobicContact CE-CD1 4.49Å; F444-L474 HydrophobicContact CE2-CD1 3.47Å; F444-L474 VanDerWaalsContact CE2-CD1 3.47Å; F444-L474 HydrophobicContact CZ-CD1 3.81Å; W471-L474 HydrophobicContact CB-CD1 4.13Å; W471-L474 HydrophobicContact CB-CG 4.19Å |
Retrieved 474 of 474 residues in 204.7 ms
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